| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.5 | Very low | 68.1 | Low | 204 Ų | 204 | 66 Ų | 66 | 100% | 1.005 | 34% | 0.343 | S | S | * | . | 0 | 145.8 | 0 | -80.3 | -168.1 | 153.4 | 0 | 0 | 109.5 | N3 | M1-N3 PolarHBondContact O-N 3.06Š| |||
| 2 | C | 43.8 | Very low | 69.3 | Low | 24 Ų | 24 | 69.4 Ų | 69.4 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | trans | -70.3 | 126.1 | 165.4 | -77.7 | 0 | 0 | 0 | 0 | 108.3 | T4 K33 | C2-T4 PolarHBondContact O-N 3.06Å; C2-K33 VanDerWaalsContact SG-CE 3.57Å; C2-K33 PolarHBondContact SG-NZ 3.42Å | ||
| 3 | N | 58.2 | Low | 70.4 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -54.6 | 134.5 | 170.7 | -171 | -1.2 | 0 | 0 | 0 | 108.7 | M1 D5 Q6 F7 | M1-N3 PolarHBondContact O-N 3.06Å; N3-D5 PolarHBondContact O-N 3.34Å; N3-D5 VanDerWaalsContact O-N 3.12Å; N3-Q6 HydrophobicContact CB-CB 4.45Å; N3-Q6 HydrophobicContact CB-CG 4.21Å; N3-Q6 WeakPolarHBondContact O-CB 3.17Å; N3-Q6 PolarHBondContact O-N 3.25Å; N3-F7 PolarHBondContact O-N 3Å | ||
| 4 | T | 66.8 | Low | 71.4 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.8 | -34.7 | 178.1 | 15.5 | 0 | 0 | 0 | 0 | 111.1 | C2 F7 N8 P40 D42 | C2-T4 PolarHBondContact O-N 3.06Å; T4-F7 PolarHBondContact O-N 3.01Å; T4-N8 WeakPolarHBondContact O-CB 3.49Å; T4-N8 PolarHBondContact O-N 3.36Å; T4-N8 PolarHBondContact O-ND2 3.25Å; T4-P40 HydrophobicContact CG2-CB 3.83Å; T4-P40 HydrophobicContact CG2-CG 4.38Å; T4-D42 HydrophobicContact CG2-CB 3.92Å |
| 5 | D | 69.8 | Low | 72 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.1 | -60.6 | -28.5 | 0 | 0 | 0 | 113 | N3 F7 N8 L9 | N3-D5 PolarHBondContact O-N 3.34Å; N3-D5 VanDerWaalsContact O-N 3.12Å; D5-F7 VanDerWaalsContact C-N 3.27Å; D5-F7 PolarHBondContact O-N 3.18Å; D5-N8 PolarHBondContact O-N 3.39Å; D5-L9 PolarHBondContact O-N 3.44Å |
| 6 | Q | 71.1 | Confident | 72.3 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 53% | 0.528 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 176.8 | -71.9 | -177.2 | -8.6 | 0 | 0 | 111.8 | N3 L10 | N3-Q6 HydrophobicContact CB-CB 4.45Å; N3-Q6 HydrophobicContact CB-CG 4.21Å; N3-Q6 WeakPolarHBondContact O-CB 3.17Å; N3-Q6 PolarHBondContact O-N 3.25Å; Q6-L10 PolarHBondContact O-N 2.85Å |
| 7 | F | 77.2 | Confident | 72.8 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.9 | -40.6 | 175.7 | -165.6 | -108.4 | 0 | 0 | 0 | 111.7 | N3 T4 D5 L9 L10 I11 I30 L39 P40 C45 L49 | N3-F7 PolarHBondContact O-N 3Å; T4-F7 PolarHBondContact O-N 3.01Å; D5-F7 VanDerWaalsContact C-N 3.27Å; D5-F7 PolarHBondContact O-N 3.18Å; F7-L9 VanDerWaalsContact C-N 3.3Å; F7-L9 PolarHBondContact O-N 3.41Å; F7-L10 HydrophobicContact CD2-CD1 4.25Å; F7-L10 WeakPolarHBondContact O-CB 3.34Å; F7-L10 PolarHBondContact O-N 3.49Å; F7-I11 HydrophobicContact CD1-CD1 3.74Å; F7-I11 HydrophobicContact CD1-CG1 4.25Å; F7-I11 HydrophobicContact CE1-CD1 3.63Å; F7-I11 HydrophobicContact CE1-CG1 4Å; F7-I11 HydrophobicContact CZ-CG1 4.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.43Å; F7-I11 PolarHBondContact O-N 2.87Å; F7-I30 HydrophobicContact CE2-CG1 4.23Å; F7-I30 HydrophobicContact CZ-CG2 4.49Å; F7-L39 HydrophobicContact CD2-CD2 4.1Å; F7-L39 HydrophobicContact CE1-CD2 3.9Å; F7-L39 HydrophobicContact CE2-CD2 3.2Å; F7-L39 HydrophobicContact CZ-CD2 3.08Å; F7-P40 HydrophobicContact CB-CG 3.9Å; F7-P40 HydrophobicContact CD1-CG 3.54Å; F7-P40 HydrophobicContact CE1-CG 4.25Å; F7-P40 HydrophobicContact CG-CG 3.72Å; F7-C45 HydrophobicContact CD1-CB 4.38Å; F7-L49 HydrophobicContact CE1-CB 4.46Å; F7-L49 HydrophobicContact CE1-CD2 4.28Å; F7-L49 HydrophobicContact CZ-CD1 4.38Å; F7-L49 HydrophobicContact CZ-CD2 3.94Å |
| 8 | N | 78.8 | Confident | 73 | Confident | 30 Ų | 30 | 72.7 Ų | 72.7 | 16% | 0.16 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 172.6 | -78.9 | -41.8 | 0 | 0 | 0 | 112 | T4 D5 L10 I11 E12 C45 | T4-N8 WeakPolarHBondContact O-CB 3.49Å; T4-N8 PolarHBondContact O-N 3.36Å; T4-N8 PolarHBondContact O-ND2 3.25Å; D5-N8 PolarHBondContact O-N 3.39Å; N8-L10 VanDerWaalsContact C-N 3.29Å; N8-L10 PolarHBondContact O-N 3.37Å; N8-I11 WeakPolarHBondContact O-CB 3.5Å; N8-I11 PolarHBondContact O-N 2.93Å; N8-I11 VanDerWaalsContact O-N 3.08Å; N8-E12 PolarHBondContact O-N 2.98Å; N8-C45 PolarHBondContact OD1-SG 3.01Å |
| 9 | L | 80.5 | Confident | 73.4 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -35.6 | 172.9 | -79.7 | 162.4 | 0 | 0 | 0 | 113.1 | D5 F7 K13 | D5-L9 PolarHBondContact O-N 3.44Å; F7-L9 VanDerWaalsContact C-N 3.3Å; F7-L9 PolarHBondContact O-N 3.41Å; L9-K13 WeakPolarHBondContact O-CB 3.43Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.27Å; L9-K13 PolarHBondContact O-N 2.87Å |
| 10 | L | 82.1 | Confident | 73.6 | Confident | 18 Ų | 18 | 75.9 Ų | 75.9 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 173.1 | -69.7 | 170.2 | 0 | 0 | 0 | 111.3 | Q6 F7 N8 K13 L14 T26 I30 K33 | Q6-L10 PolarHBondContact O-N 2.85Å; F7-L10 HydrophobicContact CD2-CD1 4.25Å; F7-L10 WeakPolarHBondContact O-CB 3.34Å; F7-L10 PolarHBondContact O-N 3.49Å; N8-L10 VanDerWaalsContact C-N 3.29Å; N8-L10 PolarHBondContact O-N 3.37Å; L10-K13 PolarHBondContact O-N 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 PolarHBondContact O-N 3.19Å; L10-T26 HydrophobicContact CB-CG2 4.14Å; L10-T26 HydrophobicContact CD2-CG2 3.97Å; L10-T26 WeakPolarHBondContact O-CG2 3.32Å; L10-I30 HydrophobicContact CB-CG1 4.48Å; L10-K33 HydrophobicContact CD1-CD 4.17Å; L10-K33 VanDerWaalsContact CD1-NZ 3.31Å |
| 11 | I | 84 | Confident | 73.9 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176 | -63.6 | 168.6 | 0 | 0 | 0 | 110.5 | F7 N8 L14 K15 C45 K48 L49 V52 | F7-I11 HydrophobicContact CD1-CD1 3.74Å; F7-I11 HydrophobicContact CD1-CG1 4.25Å; F7-I11 HydrophobicContact CE1-CD1 3.63Å; F7-I11 HydrophobicContact CE1-CG1 4Å; F7-I11 HydrophobicContact CZ-CG1 4.46Å; F7-I11 WeakPolarHBondContact O-CG1 3.43Å; F7-I11 PolarHBondContact O-N 2.87Å; N8-I11 WeakPolarHBondContact O-CB 3.5Å; N8-I11 PolarHBondContact O-N 2.93Å; N8-I11 VanDerWaalsContact O-N 3.08Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-K15 PolarHBondContact O-N 3.41Å; I11-K15 VanDerWaalsContact O-N 3.08Å; I11-C45 WeakPolarHBondContact CD1-O 3.37Å; I11-K48 HydrophobicContact CD1-CB 4.21Å; I11-K48 HydrophobicContact CG2-CB 4.31Å; I11-L49 HydrophobicContact CD1-CB 4.02Å; I11-L49 HydrophobicContact CG1-CB 4.25Å; I11-L49 HydrophobicContact CG1-CD1 4.18Å; I11-V52 HydrophobicContact CG2-CB 4.26Å; I11-V52 HydrophobicContact CG2-CG2 3.69Å |
| 12 | E | 82.6 | Confident | 76 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 50% | 0.5 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.4 | -74.5 | 179.3 | 178.4 | 0 | 0 | 111.8 | N8 L14 K15 D16 | N8-E12 PolarHBondContact O-N 2.98Å; E12-L14 PolarHBondContact O-N 2.96Å; E12-K15 PolarHBondContact O-N 3.4Å; E12-K15 VanDerWaalsContact O-N 3.15Å; E12-D16 PolarHBondContact O-N 3.43Å |
| 13 | K | 83.5 | Confident | 77.8 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -33.6 | 173.6 | -80.2 | 179.3 | -178.8 | -177.4 | 0 | 112.7 | L9 L10 N17 T26 | L9-K13 WeakPolarHBondContact O-CB 3.43Å; L9-K13 VanDerWaalsContact O-CG 3.29Å; L9-K13 WeakPolarHBondContact O-CG 3.27Å; L9-K13 PolarHBondContact O-N 2.87Å; L10-K13 PolarHBondContact O-N 3.3Å; K13-N17 WeakPolarHBondContact O-CB 3.29Å; K13-T26 HydrophobicContact CB-CG2 4.1Å |
| 14 | L | 84.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.5 | -37.6 | 177.6 | -169.7 | 71.2 | 0 | 0 | 0 | 111.6 | L10 I11 E12 R23 T26 L27 I30 V52 L53 | L10-L14 WeakPolarHBondContact O-CB 3.16Å; L10-L14 PolarHBondContact O-N 3.19Å; I11-L14 WeakPolarHBondContact O-CB 3.49Å; I11-L14 PolarHBondContact O-N 3.3Å; E12-L14 PolarHBondContact O-N 2.96Å; L14-R23 HydrophobicContact CD1-CB 4.34Å; L14-R23 WeakPolarHBondContact CD1-O 3.02Å; L14-R23 VanDerWaalsContact O-CD 3.25Å; L14-R23 WeakPolarHBondContact O-CD 3.47Å; L14-T26 HydrophobicContact CB-CG2 4.13Å; L14-T26 HydrophobicContact CD1-CG2 4.46Å; L14-L27 HydrophobicContact CD1-CB 3.88Å; L14-L27 HydrophobicContact CD1-CD1 3.79Å; L14-L27 HydrophobicContact CD1-CG 4.28Å; L14-L27 HydrophobicContact CD2-CD1 4.32Å; L14-I30 HydrophobicContact CD2-CD1 4.17Å; L14-V52 HydrophobicContact CB-CG1 4.18Å; L14-V52 HydrophobicContact CD2-CG1 3.87Å; L14-V52 HydrophobicContact CG-CG1 4.09Å; L14-L53 HydrophobicContact CD2-CD2 3.94Å |
| 15 | K | 80.2 | Confident | 79.5 | Confident | 104 Ų | 104 | 75 Ų | 75 | 45% | 0.452 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -78.8 | -53.7 | -176.3 | -169.5 | -166.6 | 166.7 | -159.5 | 0 | 113.2 | I11 E12 V52 | I11-K15 PolarHBondContact O-N 3.41Å; I11-K15 VanDerWaalsContact O-N 3.08Å; E12-K15 PolarHBondContact O-N 3.4Å; E12-K15 VanDerWaalsContact O-N 3.15Å; K15-V52 HydrophobicContact CB-CG1 3.8Å; K15-V52 HydrophobicContact CB-CG2 4Å; K15-V52 HydrophobicContact CD-CG2 4.15Å; K15-V52 HydrophobicContact CG-CG1 4.35Å; K15-V52 HydrophobicContact CG-CG2 4.15Å |
| 16 | D | 77.8 | Confident | 80.2 | Confident | 107 Ų | 107 | 70.6 Ų | 70.6 | 57% | 0.572 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -108.5 | -0.5 | -160.9 | -59.5 | -40.3 | 0 | 0 | 0 | 113.3 | E12 | E12-D16 PolarHBondContact O-N 3.43Å |
| 17 | N | 80.1 | Confident | 80.9 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | trans | -79.3 | 124.3 | -178.2 | -162.2 | -58.7 | 0 | 0 | 0 | 111.8 | K13 L19 I22 R23 | K13-N17 WeakPolarHBondContact O-CB 3.29Å; N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 2.89Å; N17-L19 PolarHBondContact OD1-N 3.22Å; N17-I22 HydrophobicContact CB-CG2 4.46Å; N17-I22 WeakPolarHBondContact ND2-CG2 3.45Å; N17-R23 HydrophobicContact CB-CG 4.16Å; N17-R23 VanDerWaalsContact O-CD 3.31Å; N17-R23 WeakPolarHBondContact O-CD 3.31Å; N17-R23 PolarHBondContact O-NE 3.15Å | ||
| 18 | P | 76.5 | Confident | 81.1 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 77% | 0.773 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.7 | -22.2 | -176.2 | 27.3 | -35.4 | 0 | 0 | 0 | 113.5 | ||
| 19 | L | 79.8 | Confident | 81.3 | Confident | 104 Ų | 104 | 68 Ų | 68 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | trans | -89.2 | 117.6 | -177.9 | -67.3 | 171.3 | 0 | 0 | 0 | 110.8 | N17 E21 I22 R23 | N17-L19 VanDerWaalsContact C-N 3.26Å; N17-L19 PolarHBondContact O-N 2.89Å; N17-L19 PolarHBondContact OD1-N 3.22Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.37Å; L19-I22 HydrophobicContact CB-CB 4.3Å; L19-I22 HydrophobicContact CB-CD1 3.99Å; L19-I22 HydrophobicContact CB-CG1 3.95Å; L19-I22 HydrophobicContact CD1-CD1 3.68Å; L19-I22 HydrophobicContact CD1-CG1 4.3Å; L19-I22 HydrophobicContact CG-CD1 4.43Å; L19-I22 PolarHBondContact O-N 3.35Å; L19-I22 VanDerWaalsContact O-N 3.16Å; L19-R23 PolarHBondContact O-N 3.04Å | ||
| 20 | E | 78.9 | Confident | 81.4 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 176.8 | -166.3 | 174.4 | 177.9 | 0 | 0 | 112.4 | I22 R23 C24 F63 | E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 PolarHBondContact O-N 2.59Å; E20-R23 PolarHBondContact O-N 3.41Å; E20-R23 VanDerWaalsContact O-N 3.07Å; E20-C24 PolarHBondContact O-N 3.12Å; E20-C24 PolarHBondContact O-SG 3.28Å; E20-F63 HydrophobicContact CG-CD2 3.57Å; E20-F63 HydrophobicContact CG-CE2 3.52Å; E20-F63 WeakPolarHBondContact OE1-CD2 3.38Å |
| 21 | E | 78.3 | Confident | 81.3 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.1 | -41 | 177 | -172.3 | -172.2 | 169 | 0 | 0 | 112.4 | L19 C24 R25 | L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 3.37Å; E21-C24 PolarHBondContact O-N 3.3Å; E21-R25 WeakPolarHBondContact O-CG 3.38Å; E21-R25 PolarHBondContact O-N 3.43Å; E21-R25 IonicContact OE1-CZ 3.06Å; E21-R25 IonicContact OE1-NE 3.78Å; E21-R25 IonicContact OE1-NH1 3.39Å; E21-R25 PolarHBondContact OE1-NH1 3.2Å; E21-R25 IonicContact OE1-NH2 2.65Å; E21-R25 PolarHBondContact OE1-NH2 3Å |
| 22 | I | 80.6 | Confident | 80.9 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 178.8 | -62 | -178.3 | 0 | 0 | 0 | 110.2 | N17 L19 E20 R25 T26 | N17-I22 HydrophobicContact CB-CG2 4.46Å; N17-I22 WeakPolarHBondContact ND2-CG2 3.45Å; L19-I22 HydrophobicContact CB-CB 4.3Å; L19-I22 HydrophobicContact CB-CD1 3.99Å; L19-I22 HydrophobicContact CB-CG1 3.95Å; L19-I22 HydrophobicContact CD1-CD1 3.68Å; L19-I22 HydrophobicContact CD1-CG1 4.3Å; L19-I22 HydrophobicContact CG-CD1 4.43Å; L19-I22 PolarHBondContact O-N 3.35Å; L19-I22 VanDerWaalsContact O-N 3.16Å; E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I22 PolarHBondContact O-N 2.59Å; I22-R25 PolarHBondContact O-N 3.27Å; I22-T26 VanDerWaalsContact O-CB 3.29Å; I22-T26 WeakPolarHBondContact O-CB 3.46Å; I22-T26 PolarHBondContact O-N 2.89Å; I22-T26 PolarHBondContact O-OG1 3.17Å |
| 23 | R | 83.3 | Confident | 80.6 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.9 | -65.6 | -174.6 | -73.2 | 162.1 | 1.9 | 111 | L14 N17 L19 E20 R25 T26 L27 F63 | L14-R23 HydrophobicContact CD1-CB 4.34Å; L14-R23 WeakPolarHBondContact CD1-O 3.02Å; L14-R23 VanDerWaalsContact O-CD 3.25Å; L14-R23 WeakPolarHBondContact O-CD 3.47Å; N17-R23 HydrophobicContact CB-CG 4.16Å; N17-R23 VanDerWaalsContact O-CD 3.31Å; N17-R23 WeakPolarHBondContact O-CD 3.31Å; N17-R23 PolarHBondContact O-NE 3.15Å; L19-R23 PolarHBondContact O-N 3.04Å; E20-R23 PolarHBondContact O-N 3.41Å; E20-R23 VanDerWaalsContact O-N 3.07Å; R23-R25 PolarHBondContact O-N 3.05Å; R23-T26 WeakPolarHBondContact O-CB 3.3Å; R23-T26 PolarHBondContact O-N 3.27Å; R23-L27 WeakPolarHBondContact O-CB 3.5Å; R23-L27 PolarHBondContact O-N 3.05Å; R23-F63 HydrophobicContact CB-CE1 4.21Å; R23-F63 HydrophobicContact CB-CE2 3.92Å; R23-F63 HydrophobicContact CB-CZ 3.38Å |
| 24 | C | 79.7 | Confident | 80.2 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 175.2 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | E20 E21 T26 L27 A28 F63 | E20-C24 PolarHBondContact O-N 3.12Å; E20-C24 PolarHBondContact O-SG 3.28Å; E21-C24 PolarHBondContact O-N 3.3Å; C24-T26 VanDerWaalsContact C-N 3.31Å; C24-T26 PolarHBondContact O-N 3.01Å; C24-L27 PolarHBondContact O-N 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.35Å; C24-A28 PolarHBondContact O-N 3.23Å; C24-F63 WeakPolarHBondContact SG-CE2 3.39Å |
| 25 | R | 80.5 | Confident | 79.6 | Confident | 167 Ų | 167 | 61.2 Ų | 61.2 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.8 | -38.2 | 176.4 | -75.8 | -176.1 | 178.2 | 156.7 | 8.8 | 112.2 | E21 I22 R23 A28 N29 | E21-R25 WeakPolarHBondContact O-CG 3.38Å; E21-R25 PolarHBondContact O-N 3.43Å; E21-R25 IonicContact OE1-CZ 3.06Å; E21-R25 IonicContact OE1-NE 3.78Å; E21-R25 IonicContact OE1-NH1 3.39Å; E21-R25 PolarHBondContact OE1-NH1 3.2Å; E21-R25 IonicContact OE1-NH2 2.65Å; E21-R25 PolarHBondContact OE1-NH2 3Å; I22-R25 PolarHBondContact O-N 3.27Å; R23-R25 PolarHBondContact O-N 3.05Å; R25-A28 WeakPolarHBondContact O-CB 3.15Å; R25-A28 PolarHBondContact O-N 3.12Å; R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.38Å |
| 26 | T | 85 | Confident | 78.6 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | L10 K13 L14 I22 R23 C24 N29 I30 | L10-T26 HydrophobicContact CB-CG2 4.14Å; L10-T26 HydrophobicContact CD2-CG2 3.97Å; L10-T26 WeakPolarHBondContact O-CG2 3.32Å; K13-T26 HydrophobicContact CB-CG2 4.1Å; L14-T26 HydrophobicContact CB-CG2 4.13Å; L14-T26 HydrophobicContact CD1-CG2 4.46Å; I22-T26 VanDerWaalsContact O-CB 3.29Å; I22-T26 WeakPolarHBondContact O-CB 3.46Å; I22-T26 PolarHBondContact O-N 2.89Å; I22-T26 PolarHBondContact O-OG1 3.17Å; R23-T26 WeakPolarHBondContact O-CB 3.3Å; R23-T26 PolarHBondContact O-N 3.27Å; C24-T26 VanDerWaalsContact C-N 3.31Å; C24-T26 PolarHBondContact O-N 3.01Å; T26-N29 WeakPolarHBondContact O-CB 3.42Å; T26-N29 PolarHBondContact O-N 3.04Å; T26-I30 HydrophobicContact CG2-CD1 4.23Å; T26-I30 WeakPolarHBondContact O-CG1 3.45Å; T26-I30 PolarHBondContact O-N 3.15Å |
| 27 | L | 84.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.3 | -156.4 | 137.8 | 0 | 0 | 0 | 111.7 | L14 R23 C24 N29 I30 Q31 L53 F63 R67 I68 I71 | L14-L27 HydrophobicContact CD1-CB 3.88Å; L14-L27 HydrophobicContact CD1-CD1 3.79Å; L14-L27 HydrophobicContact CD1-CG 4.28Å; L14-L27 HydrophobicContact CD2-CD1 4.32Å; R23-L27 WeakPolarHBondContact O-CB 3.5Å; R23-L27 PolarHBondContact O-N 3.05Å; C24-L27 PolarHBondContact O-N 3.31Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.07Å; L27-I30 PolarHBondContact O-N 3.33Å; L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 PolarHBondContact O-N 3.42Å; L27-L53 HydrophobicContact CD1-CD2 4.23Å; L27-F63 HydrophobicContact CD1-CE1 4.17Å; L27-R67 HydrophobicContact CD2-CB 3.66Å; L27-R67 VanDerWaalsContact CD2-CD 3.44Å; L27-R67 HydrophobicContact CD2-CG 3.37Å; L27-I68 HydrophobicContact CD1-CD1 4.35Å; L27-I68 HydrophobicContact CD1-CG1 3.67Å; L27-I71 HydrophobicContact CD2-CD1 3.49Å; L27-I71 VanDerWaalsContact CD2-CD1 3.49Å; L27-I71 HydrophobicContact CG-CD1 3.75Å |
| 28 | A | 81.8 | Confident | 77.5 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C24 R25 Q31 S32 R67 | C24-A28 WeakPolarHBondContact O-CB 3.35Å; C24-A28 PolarHBondContact O-N 3.23Å; R25-A28 WeakPolarHBondContact O-CB 3.15Å; R25-A28 PolarHBondContact O-N 3.12Å; A28-Q31 PolarHBondContact O-N 3.17Å; A28-S32 WeakPolarHBondContact O-CB 3.49Å; A28-S32 PolarHBondContact O-N 3.47Å; A28-R67 VanDerWaalsContact CA-CZ 3.47Å; A28-R67 VanDerWaalsContact CA-NH2 3.3Å; A28-R67 VanDerWaalsContact CB-CZ 3.4Å |
| 29 | N | 81.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 177 | -165.1 | -17.5 | 0 | 0 | 0 | 111.1 | R25 T26 L27 Q31 S32 K33 | R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.38Å; T26-N29 WeakPolarHBondContact O-CB 3.42Å; T26-N29 PolarHBondContact O-N 3.04Å; L27-N29 VanDerWaalsContact C-N 3.31Å; L27-N29 PolarHBondContact O-N 3.07Å; N29-Q31 PolarHBondContact O-N 3.46Å; N29-S32 PolarHBondContact O-N 3.05Å; N29-K33 WeakPolarHBondContact O-CG 3.13Å; N29-K33 PolarHBondContact O-N 3.14Å; N29-K33 WeakPolarHBondContact OD1-CE 3.46Å |
| 30 | I | 83 | Confident | 76.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -46 | 175.6 | -67.7 | 165.3 | 0 | 0 | 0 | 110.8 | F7 L10 L14 T26 L27 S32 K33 L34 L49 I71 | F7-I30 HydrophobicContact CE2-CG1 4.23Å; F7-I30 HydrophobicContact CZ-CG2 4.49Å; L10-I30 HydrophobicContact CB-CG1 4.48Å; L14-I30 HydrophobicContact CD2-CD1 4.17Å; T26-I30 HydrophobicContact CG2-CD1 4.23Å; T26-I30 WeakPolarHBondContact O-CG1 3.45Å; T26-I30 PolarHBondContact O-N 3.15Å; L27-I30 PolarHBondContact O-N 3.33Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 2.93Å; I30-K33 PolarHBondContact O-N 3.4Å; I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 PolarHBondContact O-N 2.85Å; I30-L49 HydrophobicContact CD1-CD1 3.91Å; I30-L49 HydrophobicContact CG2-CD1 4.18Å; I30-L49 HydrophobicContact CG2-CD2 4.29Å; I30-I71 HydrophobicContact CG2-CD1 4.46Å |
| 31 | Q | 80.9 | Confident | 75.8 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 176.8 | -169.4 | -171 | 12.8 | 0 | 0 | 111.9 | L27 A28 N29 L34 N35 R67 I71 | L27-Q31 WeakPolarHBondContact O-CB 3.4Å; L27-Q31 PolarHBondContact O-N 3.42Å; A28-Q31 PolarHBondContact O-N 3.17Å; N29-Q31 PolarHBondContact O-N 3.46Å; Q31-L34 PolarHBondContact O-N 2.95Å; Q31-N35 VanDerWaalsContact O-CB 3.31Å; Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.4Å; Q31-N35 PolarHBondContact O-ND2 3.44Å; Q31-R67 VanDerWaalsContact OE1-CZ 3.32Å; Q31-I71 HydrophobicContact CB-CD1 4.03Å; Q31-I71 HydrophobicContact CB-CG1 3.96Å; Q31-I71 HydrophobicContact CG-CG1 4.09Å |
| 32 | S | 74.4 | Confident | 75.7 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.1 | -174 | 0 | 0 | 0 | 0 | 111.4 | A28 N29 I30 N35 R36 | A28-S32 WeakPolarHBondContact O-CB 3.49Å; A28-S32 PolarHBondContact O-N 3.47Å; N29-S32 PolarHBondContact O-N 3.05Å; I30-S32 VanDerWaalsContact C-N 3.34Å; I30-S32 PolarHBondContact O-N 2.93Å; S32-N35 PolarHBondContact O-N 3.3Å; S32-R36 WeakPolarHBondContact O-CB 3.4Å; S32-R36 VanDerWaalsContact O-CG 3.31Å; S32-R36 WeakPolarHBondContact O-CG 3.45Å; S32-R36 PolarHBondContact O-N 3.38Å; S32-R36 VanDerWaalsContact O-N 3.07Å |
| 33 | K | 77.3 | Confident | 75.5 | Confident | 22 Ų | 22 | 49.7 Ų | 49.7 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.3 | -71.5 | -176.9 | -179.7 | -164.5 | 0 | 112.3 | C2 L10 N29 I30 R36 G37 L38 | C2-K33 VanDerWaalsContact SG-CE 3.57Å; C2-K33 PolarHBondContact SG-NZ 3.42Å; L10-K33 HydrophobicContact CD1-CD 4.17Å; L10-K33 VanDerWaalsContact CD1-NZ 3.31Å; N29-K33 WeakPolarHBondContact O-CG 3.13Å; N29-K33 PolarHBondContact O-N 3.14Å; N29-K33 WeakPolarHBondContact OD1-CE 3.46Å; I30-K33 PolarHBondContact O-N 3.4Å; K33-R36 CarbonylContact O-C 3.54Å; K33-R36 PolarHBondContact O-N 3.12Å; K33-G37 PolarHBondContact O-N 3.39Å; K33-G37 VanDerWaalsContact O-N 3.1Å; K33-L38 HydrophobicContact CB-CB 4.25Å; K33-L38 PolarHBondContact O-N 3.29Å |
| 34 | L | 75.9 | Confident | 75.1 | Confident | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 173.4 | 178.5 | 82.8 | 0 | 0 | 0 | 111.2 | I30 Q31 R36 G37 L39 I71 K74 L75 | I30-L34 WeakPolarHBondContact O-CB 3.29Å; I30-L34 PolarHBondContact O-N 2.85Å; Q31-L34 PolarHBondContact O-N 2.95Å; L34-R36 PolarHBondContact O-N 2.65Å; L34-G37 PolarHBondContact O-N 2.87Å; L34-G37 VanDerWaalsContact O-N 3.11Å; L34-L39 HydrophobicContact CB-CD1 3.73Å; L34-L39 HydrophobicContact CB-CG 4.45Å; L34-L39 HydrophobicContact CD1-CD1 3.23Å; L34-L39 HydrophobicContact CG-CD1 4.05Å; L34-I71 HydrophobicContact CD2-CB 4.44Å; L34-I71 HydrophobicContact CD2-CG1 4.47Å; L34-I71 HydrophobicContact CD2-CG2 4.22Å; L34-K74 HydrophobicContact CD1-CG 4.28Å; L34-K74 HydrophobicContact CD2-CB 3.78Å; L34-K74 HydrophobicContact CD2-CD 3.75Å; L34-K74 HydrophobicContact CD2-CG 3.71Å; L34-K74 HydrophobicContact CG-CB 4.49Å; L34-K74 HydrophobicContact CG-CD 3.98Å; L34-K74 HydrophobicContact CG-CG 3.93Å; L34-L75 HydrophobicContact CD1-CD2 3.61Å; L34-L75 HydrophobicContact CD1-CG 3.89Å |
| 35 | N | 70.4 | Confident | 75.1 | Confident | 80 Ų | 80 | 53.8 Ų | 53.8 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -27.4 | 179.5 | -73.5 | -14.2 | 0 | 0 | 0 | 113 | Q31 S32 K74 | Q31-N35 VanDerWaalsContact O-CB 3.31Å; Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 PolarHBondContact O-N 3.4Å; Q31-N35 PolarHBondContact O-ND2 3.44Å; S32-N35 PolarHBondContact O-N 3.3Å; N35-K74 WeakPolarHBondContact OD1-CD 3.47Å; N35-K74 WeakPolarHBondContact OD1-CE 3.43Å; N35-K74 PolarHBondContact OD1-NZ 3.07Å |
| 36 | R | 60.6 | Low | 75.1 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4.6 | 178.3 | -64.3 | 175.9 | -177.6 | -159.1 | 1.5 | 113.6 | S32 K33 L34 L38 L293 | S32-R36 WeakPolarHBondContact O-CB 3.4Å; S32-R36 VanDerWaalsContact O-CG 3.31Å; S32-R36 WeakPolarHBondContact O-CG 3.45Å; S32-R36 PolarHBondContact O-N 3.38Å; S32-R36 VanDerWaalsContact O-N 3.07Å; K33-R36 CarbonylContact O-C 3.54Å; K33-R36 PolarHBondContact O-N 3.12Å; L34-R36 PolarHBondContact O-N 2.65Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 HydrophobicContact CB-CD1 3.84Å; R36-L38 HydrophobicContact CB-CG 3.92Å; R36-L38 PolarHBondContact O-N 3.19Å; R36-L293 PolarHBondContact NH1-O 3.4Å; R36-L293 VanDerWaalsContact NH1-O 3.11Å |
| 37 | G | 67.5 | Low | 75 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 69% | 0.691 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 24.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K33 L34 | K33-G37 PolarHBondContact O-N 3.39Å; K33-G37 VanDerWaalsContact O-N 3.1Å; L34-G37 PolarHBondContact O-N 2.87Å; L34-G37 VanDerWaalsContact O-N 3.11Å |
| 38 | L | 66 | Low | 75 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | trans | -93.8 | 8.5 | -174.4 | -65.1 | 173.1 | 0 | 0 | 0 | 114 | K33 R36 | K33-L38 HydrophobicContact CB-CB 4.25Å; K33-L38 PolarHBondContact O-N 3.29Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 HydrophobicContact CB-CD1 3.84Å; R36-L38 HydrophobicContact CB-CG 3.92Å; R36-L38 PolarHBondContact O-N 3.19Å | ||
| 39 | L | 69.9 | Low | 75.2 | Confident | 32 Ų | 32 | 51.4 Ų | 51.4 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -73.6 | 140.6 | 178.8 | -76.2 | 167.4 | 0 | 0 | 0 | 111 | F7 L34 L75 | F7-L39 HydrophobicContact CD2-CD2 4.1Å; F7-L39 HydrophobicContact CE1-CD2 3.9Å; F7-L39 HydrophobicContact CE2-CD2 3.2Å; F7-L39 HydrophobicContact CZ-CD2 3.08Å; L34-L39 HydrophobicContact CB-CD1 3.73Å; L34-L39 HydrophobicContact CB-CG 4.45Å; L34-L39 HydrophobicContact CD1-CD1 3.23Å; L34-L39 HydrophobicContact CG-CD1 4.05Å; L39-L75 HydrophobicContact CD1-CD2 4Å |
| 40 | P | 66.1 | Low | 75.5 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | trans | -63.8 | 137.5 | 172.9 | 26.4 | -31.4 | 0 | 0 | 0 | 110.1 | T4 F7 D42 C45 | T4-P40 HydrophobicContact CG2-CB 3.83Å; T4-P40 HydrophobicContact CG2-CG 4.38Å; F7-P40 HydrophobicContact CB-CG 3.9Å; F7-P40 HydrophobicContact CD1-CG 3.54Å; F7-P40 HydrophobicContact CE1-CG 4.25Å; F7-P40 HydrophobicContact CG-CG 3.72Å; P40-D42 PolarHBondContact O-N 3.05Å; P40-C45 HydrophobicContact CG-CB 4.43Å | ||
| 41 | S | 63.3 | Low | 75.6 | Confident | 97 Ų | 97 | 55 Ų | 55 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | trans | -74.8 | 1.7 | 176 | 31.2 | 0 | 0 | 0 | 0 | 113.6 | K43 | S41-K43 PolarHBondContact O-N 2.68Š| ||
| 42 | D | 76.8 | Confident | 75.9 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 35% | 0.353 | 28% | 0.282 | S | S | . | . | trans | -68.4 | 116.5 | 179.2 | 178.2 | 12 | 0 | 0 | 0 | 112 | T4 P40 K44 C45 L46 | T4-D42 HydrophobicContact CG2-CB 3.92Å; P40-D42 PolarHBondContact O-N 3.05Å; D42-K44 VanDerWaalsContact C-N 3.27Å; D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 PolarHBondContact OD1-N 3Å; D42-C45 HydrophobicContact CB-CB 4.2Å; D42-C45 PolarHBondContact O-N 3.42Å; D42-C45 VanDerWaalsContact O-N 3.14Å; D42-C45 PolarHBondContact OD2-SG 3.46Å; D42-L46 PolarHBondContact O-N 3.36Å | ||
| 43 | K | 75.5 | Confident | 76.5 | Confident | 109 Ų | 109 | 52.3 Ų | 52.3 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.8 | -36.5 | -179.5 | -63.1 | -174 | -179.2 | -167.8 | 0 | 112.7 | S41 L47 E80 | S41-K43 PolarHBondContact O-N 2.68Å; K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 PolarHBondContact O-N 2.88Å; K43-E80 VanDerWaalsContact CE-CD 3.43Å; K43-E80 WeakPolarHBondContact CE-OE1 3.45Å; K43-E80 WeakPolarHBondContact CE-OE2 3.45Å; K43-E80 IonicContact NZ-OE1 2.67Å; K43-E80 PolarHBondContact NZ-OE1 3.43Å; K43-E80 IonicContact NZ-OE2 3.83Å |
| 44 | K | 76.5 | Confident | 76.9 | Confident | 165 Ų | 165 | 51.6 Ų | 51.6 | 72% | 0.717 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 179 | -77.8 | -175.9 | 177.8 | 179.7 | 0 | 111.4 | D42 K48 | D42-K44 VanDerWaalsContact C-N 3.27Å; D42-K44 PolarHBondContact O-N 3.27Å; D42-K44 PolarHBondContact OD1-N 3Å; K44-K48 WeakPolarHBondContact O-CG 3.45Å; K44-K48 PolarHBondContact O-N 3.2Å |
| 45 | C | 78 | Confident | 77.3 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 177.3 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | F7 N8 I11 P40 D42 K48 L49 | F7-C45 HydrophobicContact CD1-CB 4.38Å; N8-C45 PolarHBondContact OD1-SG 3.01Å; I11-C45 WeakPolarHBondContact CD1-O 3.37Å; P40-C45 HydrophobicContact CG-CB 4.43Å; D42-C45 HydrophobicContact CB-CB 4.2Å; D42-C45 PolarHBondContact O-N 3.42Å; D42-C45 VanDerWaalsContact O-N 3.14Å; D42-C45 PolarHBondContact OD2-SG 3.46Å; C45-K48 PolarHBondContact O-N 3.16Å; C45-L49 PolarHBondContact O-N 3.27Å |
| 46 | L | 81.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.4 | -73.3 | 169.1 | 0 | 0 | 0 | 112 | D42 K48 L49 V50 L75 T81 L84 | D42-L46 PolarHBondContact O-N 3.36Å; L46-K48 PolarHBondContact O-N 3.08Å; L46-L49 WeakPolarHBondContact O-CB 3.36Å; L46-L49 PolarHBondContact O-N 2.86Å; L46-V50 WeakPolarHBondContact O-CG2 3.47Å; L46-V50 PolarHBondContact O-N 3.19Å; L46-L75 HydrophobicContact CD2-CD2 4.1Å; L46-T81 HydrophobicContact CD1-CG2 4.31Å; L46-L84 HydrophobicContact CB-CD1 4.13Å |
| 47 | L | 82.6 | Confident | 78.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.7 | -178 | 62.9 | 0 | 0 | 0 | 111.9 | K43 V50 R51 L84 A88 | K43-L47 WeakPolarHBondContact O-CB 3.45Å; K43-L47 PolarHBondContact O-N 2.88Å; L47-V50 PolarHBondContact O-N 3.46Å; L47-R51 WeakPolarHBondContact O-CB 3.49Å; L47-R51 WeakPolarHBondContact O-CG 3.49Å; L47-R51 PolarHBondContact O-N 2.84Å; L47-L84 HydrophobicContact CB-CD1 4.35Å; L47-L84 HydrophobicContact CB-CD2 4.21Å; L47-L84 HydrophobicContact CD1-CB 3.95Å; L47-L84 HydrophobicContact CD1-CD2 4.12Å; L47-A88 HydrophobicContact CD1-CB 4.27Å |
| 48 | K | 84.7 | Confident | 79.2 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 47% | 0.47 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.9 | -78.8 | -177.8 | 179.3 | -177.6 | 0 | 111.4 | I11 K44 C45 L46 V50 R51 V52 | I11-K48 HydrophobicContact CD1-CB 4.21Å; I11-K48 HydrophobicContact CG2-CB 4.31Å; K44-K48 WeakPolarHBondContact O-CG 3.45Å; K44-K48 PolarHBondContact O-N 3.2Å; C45-K48 PolarHBondContact O-N 3.16Å; L46-K48 PolarHBondContact O-N 3.08Å; K48-V50 PolarHBondContact O-N 3.19Å; K48-R51 PolarHBondContact O-N 3.08Å; K48-V52 WeakPolarHBondContact O-CG2 3.41Å; K48-V52 PolarHBondContact O-N 2.98Å |
| 49 | L | 86.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 177.1 | 177.2 | 69.1 | 0 | 0 | 0 | 111.2 | F7 I11 I30 C45 L46 R51 V52 L53 L75 | F7-L49 HydrophobicContact CE1-CB 4.46Å; F7-L49 HydrophobicContact CE1-CD2 4.28Å; F7-L49 HydrophobicContact CZ-CD1 4.38Å; F7-L49 HydrophobicContact CZ-CD2 3.94Å; I11-L49 HydrophobicContact CD1-CB 4.02Å; I11-L49 HydrophobicContact CG1-CB 4.25Å; I11-L49 HydrophobicContact CG1-CD1 4.18Å; I30-L49 HydrophobicContact CD1-CD1 3.91Å; I30-L49 HydrophobicContact CG2-CD1 4.18Å; I30-L49 HydrophobicContact CG2-CD2 4.29Å; C45-L49 PolarHBondContact O-N 3.27Å; L46-L49 WeakPolarHBondContact O-CB 3.36Å; L46-L49 PolarHBondContact O-N 2.86Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 2.86Å; L49-V52 PolarHBondContact O-N 3.44Å; L49-L53 HydrophobicContact CD1-CD1 4.21Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 3.96Å; L49-L53 HydrophobicContact CG-CG 4.39Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.5Å; L49-L75 HydrophobicContact CD2-CD1 3.89Å |
| 50 | V | 87.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 179.7 | 171 | 0 | 0 | 0 | 0 | 111 | L46 L47 K48 V52 L53 L54 L75 F85 A88 | L46-V50 WeakPolarHBondContact O-CG2 3.47Å; L46-V50 PolarHBondContact O-N 3.19Å; L47-V50 PolarHBondContact O-N 3.46Å; K48-V50 PolarHBondContact O-N 3.19Å; V50-V52 PolarHBondContact O-N 2.94Å; V50-L53 PolarHBondContact O-N 3.34Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 WeakPolarHBondContact O-CB 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.71Å; V50-L75 HydrophobicContact CG2-CD1 4.48Å; V50-F85 HydrophobicContact CG1-CB 4.23Å; V50-F85 HydrophobicContact CG1-CD2 3.75Å; V50-F85 HydrophobicContact CG1-CG 4.4Å; V50-A88 HydrophobicContact CG1-CB 4.24Å |
| 51 | R | 85.2 | Confident | 78.9 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175 | -76.4 | 178.7 | 178.5 | -179.9 | -0.1 | 112.5 | L47 K48 L49 L54 F55 A88 | L47-R51 WeakPolarHBondContact O-CB 3.49Å; L47-R51 WeakPolarHBondContact O-CG 3.49Å; L47-R51 PolarHBondContact O-N 2.84Å; K48-R51 PolarHBondContact O-N 3.08Å; L49-R51 VanDerWaalsContact C-N 3.33Å; L49-R51 PolarHBondContact O-N 2.86Å; R51-L54 PolarHBondContact O-N 3.45Å; R51-F55 VanDerWaalsContact O-CB 3.22Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.07Å; R51-A88 HydrophobicContact CG-CB 3.82Å |
| 52 | V | 86.8 | Confident | 79 | Confident | 12 Ų | 12 | 57 Ų | 57 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.6 | I11 L14 K15 K48 L49 V50 F55 S56 | I11-V52 HydrophobicContact CG2-CB 4.26Å; I11-V52 HydrophobicContact CG2-CG2 3.69Å; L14-V52 HydrophobicContact CB-CG1 4.18Å; L14-V52 HydrophobicContact CD2-CG1 3.87Å; L14-V52 HydrophobicContact CG-CG1 4.09Å; K15-V52 HydrophobicContact CB-CG1 3.8Å; K15-V52 HydrophobicContact CB-CG2 4Å; K15-V52 HydrophobicContact CD-CG2 4.15Å; K15-V52 HydrophobicContact CG-CG1 4.35Å; K15-V52 HydrophobicContact CG-CG2 4.15Å; K48-V52 WeakPolarHBondContact O-CG2 3.41Å; K48-V52 PolarHBondContact O-N 2.98Å; L49-V52 PolarHBondContact O-N 3.44Å; V50-V52 PolarHBondContact O-N 2.94Å; V52-F55 PolarHBondContact O-N 2.88Å; V52-S56 WeakPolarHBondContact O-CB 3.29Å; V52-S56 PolarHBondContact O-N 3.04Å; V52-S56 PolarHBondContact O-OG 3.27Å |
| 53 | L | 88.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174.9 | -69.6 | 172.4 | 0 | 0 | 0 | 111.3 | L14 L27 L49 V50 S56 L57 I68 I71 L72 L75 | L14-L53 HydrophobicContact CD2-CD2 3.94Å; L27-L53 HydrophobicContact CD1-CD2 4.23Å; L49-L53 HydrophobicContact CD1-CD1 4.21Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 3.96Å; L49-L53 HydrophobicContact CG-CG 4.39Å; L49-L53 WeakPolarHBondContact O-CG 3.49Å; L49-L53 PolarHBondContact O-N 3.5Å; V50-L53 PolarHBondContact O-N 3.34Å; L53-S56 PolarHBondContact O-N 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 3.3Å; L53-L57 VanDerWaalsContact O-N 3.11Å; L53-I68 HydrophobicContact CB-CG2 4.09Å; L53-I68 HydrophobicContact CD2-CG1 4.16Å; L53-I68 HydrophobicContact CD2-CG2 4.11Å; L53-I71 HydrophobicContact CD1-CG2 3.72Å; L53-L72 HydrophobicContact CD1-CD2 4.18Å; L53-L72 HydrophobicContact CD1-CG 4.48Å; L53-L75 HydrophobicContact CD1-CD1 4.15Å |
| 54 | L | 85.9 | Confident | 78.8 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 175.8 | -75.1 | 171.5 | 0 | 0 | 0 | 112.2 | V50 R51 S56 L57 E58 F85 A88 V93 | V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 WeakPolarHBondContact O-CB 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.36Å; V50-L54 PolarHBondContact O-N 2.71Å; R51-L54 PolarHBondContact O-N 3.45Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3.03Å; L54-L57 WeakPolarHBondContact O-CB 3.18Å; L54-L57 PolarHBondContact O-N 3.12Å; L54-E58 PolarHBondContact O-N 3.31Å; L54-E58 VanDerWaalsContact O-N 3.11Å; L54-F85 HydrophobicContact CD1-CD2 4.35Å; L54-F85 HydrophobicContact CD1-CE2 4.17Å; L54-F85 HydrophobicContact CD2-CE2 3.64Å; L54-F85 HydrophobicContact CD2-CZ 3.81Å; L54-F85 HydrophobicContact CG-CE2 4.11Å; L54-A88 HydrophobicContact CD1-CB 3.79Å; L54-V93 HydrophobicContact CD2-CB 4.36Å; L54-V93 HydrophobicContact CD2-CG1 4.38Å |
| 55 | F | 83.5 | Confident | 78.9 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 37% | 0.368 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -39 | 175.8 | -177.8 | -98.1 | 0 | 0 | 0 | 112.1 | R51 V52 L57 E58 Q59 | R51-F55 VanDerWaalsContact O-CB 3.22Å; R51-F55 WeakPolarHBondContact O-CB 3.49Å; R51-F55 PolarHBondContact O-N 3.07Å; V52-F55 PolarHBondContact O-N 2.88Å; F55-L57 VanDerWaalsContact C-N 3.3Å; F55-L57 PolarHBondContact O-N 3.44Å; F55-E58 PolarHBondContact O-N 3.22Å; F55-Q59 HydrophobicContact CD1-CG 4.36Å; F55-Q59 HydrophobicContact CD2-CG 4.45Å; F55-Q59 HydrophobicContact CE1-CG 3.91Å; F55-Q59 HydrophobicContact CE2-CG 4.02Å; F55-Q59 HydrophobicContact CZ-CG 3.75Å; F55-Q59 PolarHBondContact O-N 3.02Å |
| 56 | S | 80.7 | Confident | 79.1 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -35.2 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | V52 L53 L54 S60 | V52-S56 WeakPolarHBondContact O-CB 3.29Å; V52-S56 PolarHBondContact O-N 3.04Å; V52-S56 PolarHBondContact O-OG 3.27Å; L53-S56 PolarHBondContact O-N 3.32Å; L54-S56 VanDerWaalsContact C-N 3.31Å; L54-S56 PolarHBondContact O-N 3.03Å; S56-S60 PolarHBondContact O-N 3.44Å; S56-S60 PolarHBondContact O-OG 3.3Å; S56-S60 VanDerWaalsContact O-OG 3.04Å |
| 57 | L | 80.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | 173.7 | -69 | 171.4 | 0 | 0 | 0 | 112.3 | L53 L54 F55 T65 I68 F69 L72 M97 | L53-L57 WeakPolarHBondContact O-CG 3.25Å; L53-L57 PolarHBondContact O-N 3.3Å; L53-L57 VanDerWaalsContact O-N 3.11Å; L54-L57 WeakPolarHBondContact O-CB 3.18Å; L54-L57 PolarHBondContact O-N 3.12Å; F55-L57 VanDerWaalsContact C-N 3.3Å; F55-L57 PolarHBondContact O-N 3.44Å; L57-T65 HydrophobicContact CD2-CG2 3.52Å; L57-I68 HydrophobicContact CD1-CG2 3.77Å; L57-I68 HydrophobicContact CD2-CB 4.06Å; L57-I68 HydrophobicContact CD2-CD1 3.88Å; L57-I68 HydrophobicContact CD2-CG2 3.84Å; L57-I68 HydrophobicContact CG-CB 4.49Å; L57-I68 HydrophobicContact CG-CD1 4.2Å; L57-I68 HydrophobicContact CG-CG2 3.77Å; L57-F69 HydrophobicContact CD1-CE1 4.01Å; L57-F69 HydrophobicContact CD2-CE1 4.43Å; L57-L72 HydrophobicContact CD1-CD1 3.99Å; L57-M97 HydrophobicContact CB-CE 3.96Å; L57-M97 HydrophobicContact CB-SD 4.3Å; L57-M97 HydrophobicContact CD1-CE 4.18Å; L57-M97 HydrophobicContact CD2-CE 3.9Å; L57-M97 HydrophobicContact CG-CE 4.23Å |
| 58 | E | 77.3 | Confident | 79.4 | Confident | 101 Ų | 101 | 49.8 Ų | 49.8 | 47% | 0.472 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.6 | -40.1 | -177.6 | -165.5 | 169.6 | -156.7 | 0 | 0 | 112.9 | L54 F55 V93 K96 | L54-E58 PolarHBondContact O-N 3.31Å; L54-E58 VanDerWaalsContact O-N 3.11Å; F55-E58 PolarHBondContact O-N 3.22Å; E58-V93 HydrophobicContact CB-CG1 4.37Å; E58-K96 IonicContact OE1-NZ 3.6Å |
| 59 | Q | 71.5 | Confident | 79.4 | Confident | 140 Ų | 140 | 44.7 Ų | 44.7 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -80.4 | -32.1 | -177.8 | -71.2 | -142.2 | -20.2 | 0 | 0 | 114.5 | F55 | F55-Q59 HydrophobicContact CD1-CG 4.36Å; F55-Q59 HydrophobicContact CD2-CG 4.45Å; F55-Q59 HydrophobicContact CE1-CG 3.91Å; F55-Q59 HydrophobicContact CE2-CG 4.02Å; F55-Q59 HydrophobicContact CZ-CG 3.75Å; F55-Q59 PolarHBondContact O-N 3.02Å |
| 60 | S | 67 | Low | 79.2 | Confident | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | trans | -141.7 | 78.2 | -171.9 | 48.4 | 0 | 0 | 0 | 0 | 111 | S56 S62 F63 | S56-S60 PolarHBondContact O-N 3.44Å; S56-S60 PolarHBondContact O-OG 3.3Å; S56-S60 VanDerWaalsContact O-OG 3.04Å; S60-S62 PolarHBondContact O-N 2.93Å; S60-F63 PolarHBondContact O-N 3.38Å | ||
| 61 | P | 57.4 | Low | 79.2 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -9.3 | -174.8 | 22.3 | -32.4 | 0 | 0 | 0 | 114.7 | T65 | P61-T65 PolarHBondContact O-OG1 3.01Š|
| 62 | S | 64 | Low | 79.2 | Confident | 106 Ų | 106 | 43.5 Ų | 43.5 | 74% | 0.741 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -13 | 173.6 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | S60 E64 | S60-S62 PolarHBondContact O-N 2.93Å; S62-E64 PolarHBondContact O-N 2.91Å |
| 63 | F | 71.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.1 | 102.4 | -174.2 | 178 | -101.9 | 0 | 0 | 0 | 111.4 | E20 R23 C24 L27 S60 T65 I68 | E20-F63 HydrophobicContact CG-CD2 3.57Å; E20-F63 HydrophobicContact CG-CE2 3.52Å; E20-F63 WeakPolarHBondContact OE1-CD2 3.38Å; R23-F63 HydrophobicContact CB-CE1 4.21Å; R23-F63 HydrophobicContact CB-CE2 3.92Å; R23-F63 HydrophobicContact CB-CZ 3.38Å; C24-F63 WeakPolarHBondContact SG-CE2 3.39Å; L27-F63 HydrophobicContact CD1-CE1 4.17Å; S60-F63 PolarHBondContact O-N 3.38Å; F63-T65 PolarHBondContact O-N 3.41Å; F63-I68 HydrophobicContact CD1-CD1 4.42Å |
| 64 | E | 77 | Confident | 78.8 | Confident | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 47.6 | 34 | 169.6 | -74.2 | -82.4 | -174.1 | 0 | 0 | 114.2 | S62 N66 R67 I68 | S62-E64 PolarHBondContact O-N 2.91Å; E64-N66 VanDerWaalsContact C-N 3.3Å; E64-N66 PolarHBondContact O-N 2.84Å; E64-R67 HydrophobicContact CB-CB 4.25Å; E64-R67 WeakPolarHBondContact O-CA 3.46Å; E64-R67 WeakPolarHBondContact O-CB 3.41Å; E64-R67 PolarHBondContact O-N 3.34Å; E64-R67 VanDerWaalsContact OE2-CB 3.29Å; E64-R67 WeakPolarHBondContact OE2-CB 3.48Å; E64-R67 VanDerWaalsContact OE2-CD 3.28Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; E64-I68 PolarHBondContact O-N 3.29Å |
| 65 | T | 79.1 | Confident | 78.7 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.5 | -44.4 | -170.2 | -31.5 | 0 | 0 | 0 | 0 | 111.7 | L57 P61 F63 R67 I68 F69 M97 L106 | L57-T65 HydrophobicContact CD2-CG2 3.52Å; P61-T65 PolarHBondContact O-OG1 3.01Å; F63-T65 PolarHBondContact O-N 3.41Å; T65-R67 VanDerWaalsContact C-N 3.31Å; T65-R67 PolarHBondContact O-N 2.88Å; T65-I68 PolarHBondContact O-N 3.42Å; T65-F69 HydrophobicContact CG2-CD2 4.41Å; T65-F69 HydrophobicContact CG2-CE2 3.94Å; T65-F69 HydrophobicContact CG2-CZ 4.34Å; T65-F69 WeakPolarHBondContact O-CD2 3.49Å; T65-F69 WeakPolarHBondContact O-CG 3.43Å; T65-F69 PolarHBondContact O-N 3.05Å; T65-M97 HydrophobicContact CG2-CE 4.47Å; T65-L106 HydrophobicContact CG2-CD2 3.94Å |
| 66 | N | 81.8 | Confident | 78.7 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.7 | -69.4 | -3.9 | 0 | 0 | 0 | 112.1 | E64 F69 M70 L106 | E64-N66 VanDerWaalsContact C-N 3.3Å; E64-N66 PolarHBondContact O-N 2.84Å; N66-F69 PolarHBondContact O-N 3.42Å; N66-M70 WeakPolarHBondContact O-CG 3.44Å; N66-M70 PolarHBondContact O-N 2.93Å; N66-L106 WeakPolarHBondContact OD1-CD2 3.45Å |
| 67 | R | 83 | Confident | 78.5 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 26% | 0.26 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74 | -38.1 | -178.5 | -158.1 | 173.4 | -174.2 | 155.4 | 13.9 | 111.5 | L27 A28 Q31 E64 T65 F69 M70 I71 | L27-R67 HydrophobicContact CD2-CB 3.66Å; L27-R67 VanDerWaalsContact CD2-CD 3.44Å; L27-R67 HydrophobicContact CD2-CG 3.37Å; A28-R67 VanDerWaalsContact CA-CZ 3.47Å; A28-R67 VanDerWaalsContact CA-NH2 3.3Å; A28-R67 VanDerWaalsContact CB-CZ 3.4Å; Q31-R67 VanDerWaalsContact OE1-CZ 3.32Å; E64-R67 HydrophobicContact CB-CB 4.25Å; E64-R67 WeakPolarHBondContact O-CA 3.46Å; E64-R67 WeakPolarHBondContact O-CB 3.41Å; E64-R67 PolarHBondContact O-N 3.34Å; E64-R67 VanDerWaalsContact OE2-CB 3.29Å; E64-R67 WeakPolarHBondContact OE2-CB 3.48Å; E64-R67 VanDerWaalsContact OE2-CD 3.28Å; E64-R67 WeakPolarHBondContact OE2-CD 3.44Å; T65-R67 VanDerWaalsContact C-N 3.31Å; T65-R67 PolarHBondContact O-N 2.88Å; R67-F69 VanDerWaalsContact C-N 3.32Å; R67-M70 PolarHBondContact O-N 3.06Å; R67-I71 WeakPolarHBondContact O-CG1 3.31Å; R67-I71 PolarHBondContact O-N 3.41Å |
| 68 | I | 87.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 169.6 | -66.2 | 167.3 | 0 | 0 | 0 | 110 | L27 L53 L57 F63 E64 T65 M70 I71 L72 | L27-I68 HydrophobicContact CD1-CD1 4.35Å; L27-I68 HydrophobicContact CD1-CG1 3.67Å; L53-I68 HydrophobicContact CB-CG2 4.09Å; L53-I68 HydrophobicContact CD2-CG1 4.16Å; L53-I68 HydrophobicContact CD2-CG2 4.11Å; L57-I68 HydrophobicContact CD1-CG2 3.77Å; L57-I68 HydrophobicContact CD2-CB 4.06Å; L57-I68 HydrophobicContact CD2-CD1 3.88Å; L57-I68 HydrophobicContact CD2-CG2 3.84Å; L57-I68 HydrophobicContact CG-CB 4.49Å; L57-I68 HydrophobicContact CG-CD1 4.2Å; L57-I68 HydrophobicContact CG-CG2 3.77Å; F63-I68 HydrophobicContact CD1-CD1 4.42Å; E64-I68 PolarHBondContact O-N 3.29Å; T65-I68 PolarHBondContact O-N 3.42Å; I68-M70 PolarHBondContact O-N 2.91Å; I68-I71 PolarHBondContact O-N 3.23Å; I68-L72 HydrophobicContact CG2-CD1 3.88Å; I68-L72 HydrophobicContact CG2-CG 4.26Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 WeakPolarHBondContact O-CG 3.34Å; I68-L72 PolarHBondContact O-N 3.29Å |
| 69 | F | 86.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 177 | -72.1 | -37.2 | 0 | 0 | 0 | 113.1 | L57 T65 N66 R67 I71 L72 K73 L94 M97 L106 D109 I110 I113 | L57-F69 HydrophobicContact CD1-CE1 4.01Å; L57-F69 HydrophobicContact CD2-CE1 4.43Å; T65-F69 HydrophobicContact CG2-CD2 4.41Å; T65-F69 HydrophobicContact CG2-CE2 3.94Å; T65-F69 HydrophobicContact CG2-CZ 4.34Å; T65-F69 WeakPolarHBondContact O-CD2 3.49Å; T65-F69 WeakPolarHBondContact O-CG 3.43Å; T65-F69 PolarHBondContact O-N 3.05Å; N66-F69 PolarHBondContact O-N 3.42Å; R67-F69 VanDerWaalsContact C-N 3.32Å; F69-I71 VanDerWaalsContact C-N 3.33Å; F69-I71 PolarHBondContact O-N 3.39Å; F69-L72 HydrophobicContact CD1-CD1 4.35Å; F69-L72 PolarHBondContact O-N 3.24Å; F69-K73 WeakPolarHBondContact O-CB 3.39Å; F69-K73 WeakPolarHBondContact O-CG 3.31Å; F69-K73 PolarHBondContact O-N 2.9Å; F69-L94 HydrophobicContact CE1-CD2 3.91Å; F69-M97 HydrophobicContact CE1-CE 4.14Å; F69-M97 HydrophobicContact CZ-CE 3.58Å; F69-L106 HydrophobicContact CD2-CD2 4.07Å; F69-L106 HydrophobicContact CE2-CD2 3.62Å; F69-D109 HydrophobicContact CB-CB 4.42Å; F69-D109 HydrophobicContact CD2-CB 3.68Å; F69-D109 HydrophobicContact CE2-CB 4.07Å; F69-D109 HydrophobicContact CG-CB 4.16Å; F69-I110 HydrophobicContact CE1-CG1 4.21Å; F69-I110 HydrophobicContact CE2-CG1 4.26Å; F69-I110 HydrophobicContact CZ-CD1 4.26Å; F69-I110 HydrophobicContact CZ-CG1 3.59Å; F69-I113 HydrophobicContact CB-CD1 4.17Å; F69-I113 HydrophobicContact CD1-CD1 3.31Å; F69-I113 HydrophobicContact CE1-CD1 3.93Å; F69-I113 HydrophobicContact CG-CD1 4.01Å |
| 70 | M | 82.4 | Confident | 78.3 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 172.9 | -71.8 | -172.4 | -147.2 | 0 | 0 | 112.4 | N66 R67 I68 K74 | N66-M70 WeakPolarHBondContact O-CG 3.44Å; N66-M70 PolarHBondContact O-N 2.93Å; R67-M70 PolarHBondContact O-N 3.06Å; I68-M70 PolarHBondContact O-N 2.91Å; M70-K74 WeakPolarHBondContact O-CB 3.39Å; M70-K74 PolarHBondContact O-N 2.86Å |
| 71 | I | 86.5 | Confident | 78.8 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.6 | -68.1 | 170.9 | 0 | 0 | 0 | 110.1 | L27 I30 Q31 L34 L53 R67 I68 F69 K74 L75 | L27-I71 HydrophobicContact CD2-CD1 3.49Å; L27-I71 VanDerWaalsContact CD2-CD1 3.49Å; L27-I71 HydrophobicContact CG-CD1 3.75Å; I30-I71 HydrophobicContact CG2-CD1 4.46Å; Q31-I71 HydrophobicContact CB-CD1 4.03Å; Q31-I71 HydrophobicContact CB-CG1 3.96Å; Q31-I71 HydrophobicContact CG-CG1 4.09Å; L34-I71 HydrophobicContact CD2-CB 4.44Å; L34-I71 HydrophobicContact CD2-CG1 4.47Å; L34-I71 HydrophobicContact CD2-CG2 4.22Å; L53-I71 HydrophobicContact CD1-CG2 3.72Å; R67-I71 WeakPolarHBondContact O-CG1 3.31Å; R67-I71 PolarHBondContact O-N 3.41Å; I68-I71 PolarHBondContact O-N 3.23Å; F69-I71 VanDerWaalsContact C-N 3.33Å; F69-I71 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact O-N 2.99Å; I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.88Å |
| 72 | L | 86.2 | Confident | 80 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | 179.4 | -76.7 | 174 | 0 | 0 | 0 | 112.2 | L53 L57 I68 F69 K74 L75 L76 F85 I113 | L53-L72 HydrophobicContact CD1-CD2 4.18Å; L53-L72 HydrophobicContact CD1-CG 4.48Å; L57-L72 HydrophobicContact CD1-CD1 3.99Å; I68-L72 HydrophobicContact CG2-CD1 3.88Å; I68-L72 HydrophobicContact CG2-CG 4.26Å; I68-L72 WeakPolarHBondContact O-CB 3.47Å; I68-L72 WeakPolarHBondContact O-CG 3.34Å; I68-L72 PolarHBondContact O-N 3.29Å; F69-L72 HydrophobicContact CD1-CD1 4.35Å; F69-L72 PolarHBondContact O-N 3.24Å; L72-K74 PolarHBondContact O-N 3.33Å; L72-L75 PolarHBondContact O-N 3.28Å; L72-L76 WeakPolarHBondContact O-CB 3.27Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 3.35Å; L72-F85 HydrophobicContact CD1-CE2 4.17Å; L72-F85 HydrophobicContact CD2-CD2 3.99Å; L72-F85 HydrophobicContact CD2-CE2 3.78Å; L72-I113 HydrophobicContact CB-CD1 4.28Å |
| 73 | K | 85 | Confident | 80.6 | Confident | 48 Ų | 48 | 42 Ų | 42 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.9 | -41.6 | 177.1 | -74.7 | -175.8 | -173.3 | -174.4 | 0 | 111 | F69 D109 D112 I113 L116 | F69-K73 WeakPolarHBondContact O-CB 3.39Å; F69-K73 WeakPolarHBondContact O-CG 3.31Å; F69-K73 PolarHBondContact O-N 2.9Å; K73-D109 IonicContact NZ-OD1 2.78Å; K73-D109 PolarHBondContact NZ-OD1 3.03Å; K73-D112 IonicContact NZ-OD2 3.74Å; K73-D112 PolarHBondContact NZ-OD2 3.38Å; K73-I113 HydrophobicContact CD-CG1 4.5Å; K73-I113 HydrophobicContact CG-CD1 4.17Å; K73-I113 HydrophobicContact CG-CG1 3.63Å; K73-L116 HydrophobicContact CB-CD1 4.23Å; K73-L116 HydrophobicContact CG-CD1 4.12Å |
| 74 | K | 80.8 | Confident | 81 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -79.1 | -31.1 | -178.6 | -175.5 | 164.9 | -174.5 | 162 | 0 | 113.7 | L34 N35 M70 I71 L72 | L34-K74 HydrophobicContact CD1-CG 4.28Å; L34-K74 HydrophobicContact CD2-CB 3.78Å; L34-K74 HydrophobicContact CD2-CD 3.75Å; L34-K74 HydrophobicContact CD2-CG 3.71Å; L34-K74 HydrophobicContact CG-CB 4.49Å; L34-K74 HydrophobicContact CG-CD 3.98Å; L34-K74 HydrophobicContact CG-CG 3.93Å; N35-K74 WeakPolarHBondContact OD1-CD 3.47Å; N35-K74 WeakPolarHBondContact OD1-CE 3.43Å; N35-K74 PolarHBondContact OD1-NZ 3.07Å; M70-K74 WeakPolarHBondContact O-CB 3.39Å; M70-K74 PolarHBondContact O-N 2.86Å; I71-K74 PolarHBondContact O-N 2.99Å; L72-K74 PolarHBondContact O-N 3.33Å |
| 75 | L | 84 | Confident | 81.4 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -50.4 | 168.9 | -78.3 | 170.2 | 0 | 0 | 0 | 110.4 | L34 L39 L46 L49 V50 L53 I71 L72 L77 N78 T81 | L34-L75 HydrophobicContact CD1-CD2 3.61Å; L34-L75 HydrophobicContact CD1-CG 3.89Å; L39-L75 HydrophobicContact CD1-CD2 4Å; L46-L75 HydrophobicContact CD2-CD2 4.1Å; L49-L75 HydrophobicContact CD2-CD1 3.89Å; V50-L75 HydrophobicContact CG2-CD1 4.48Å; L53-L75 HydrophobicContact CD1-CD1 4.15Å; I71-L75 HydrophobicContact CG2-CD1 3.77Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.88Å; L72-L75 PolarHBondContact O-N 3.28Å; L75-L77 PolarHBondContact O-N 3.23Å; L75-N78 WeakPolarHBondContact O-CB 3.44Å; L75-N78 PolarHBondContact O-N 3.13Å; L75-T81 PolarHBondContact O-OG1 3.28Å |
| 76 | L | 83 | Confident | 81.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.7 | -176.3 | -71.6 | 169.6 | 0 | 0 | 0 | 114.5 | L72 N78 T81 K82 F85 I113 I117 | L72-L76 WeakPolarHBondContact O-CB 3.27Å; L72-L76 VanDerWaalsContact O-CG 3.24Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 3.35Å; L76-N78 PolarHBondContact O-N 2.86Å; L76-T81 WeakPolarHBondContact CA-OG1 3.3Å; L76-K82 HydrophobicContact CB-CG 4.47Å; L76-K82 HydrophobicContact CD2-CB 4.33Å; L76-K82 HydrophobicContact CD2-CG 4.01Å; L76-K82 WeakPolarHBondContact O-CE 3.49Å; L76-K82 VanDerWaalsContact O-CG 3.25Å; L76-K82 WeakPolarHBondContact O-CG 3.19Å; L76-F85 HydrophobicContact CD2-CB 3.76Å; L76-F85 HydrophobicContact CD2-CD1 4.44Å; L76-F85 HydrophobicContact CD2-CD2 4.27Å; L76-F85 HydrophobicContact CD2-CG 3.91Å; L76-I113 HydrophobicContact CD1-CG2 3.61Å; L76-I117 HydrophobicContact CD1-CG1 4.44Å; L76-I117 HydrophobicContact CD2-CG1 4.49Å |
| 77 | L | 77.8 | Confident | 81.1 | Confident | 98 Ų | 98 | 42.5 Ų | 42.5 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.8 | 166.8 | -66.7 | 170.9 | 0 | 0 | 0 | 112.1 | L75 | L75-L77 PolarHBondContact O-N 3.23Š|
| 78 | N | 74.7 | Confident | 81 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -86.3 | 119 | 172.4 | -177.1 | -16.4 | 0 | 0 | 0 | 110 | L75 L76 E80 T81 K82 | L75-N78 WeakPolarHBondContact O-CB 3.44Å; L75-N78 PolarHBondContact O-N 3.13Å; L76-N78 PolarHBondContact O-N 2.86Å; N78-E80 PolarHBondContact O-N 3.15Å; N78-E80 VanDerWaalsContact O-N 3.16Å; N78-E80 PolarHBondContact OD1-N 2.87Å; N78-E80 VanDerWaalsContact OD1-N 3.08Å; N78-T81 HydrophobicContact CB-CG2 4.12Å; N78-T81 PolarHBondContact O-N 3.41Å; N78-T81 PolarHBondContact O-OG1 3.49Å; N78-K82 PolarHBondContact O-N 3.45Å |
| 79 | P | 74.8 | Confident | 80.6 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 51% | 0.506 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.4 | -32.9 | -177.2 | 23.2 | -34.3 | 0 | 0 | 0 | 113.2 | T81 K82 T83 | P79-T81 VanDerWaalsContact C-N 3.33Å; P79-T81 PolarHBondContact O-N 3.08Å; P79-K82 WeakPolarHBondContact O-CB 3.4Å; P79-K82 PolarHBondContact O-N 3.1Å; P79-T83 PolarHBondContact O-N 3.47Å |
| 80 | E | 76.2 | Confident | 80.4 | Confident | 78 Ų | 78 | 41.7 Ų | 41.7 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.6 | -62.5 | -163.1 | 139.4 | 0 | 0 | 111.5 | K43 N78 K82 T83 L84 | K43-E80 VanDerWaalsContact CE-CD 3.43Å; K43-E80 WeakPolarHBondContact CE-OE1 3.45Å; K43-E80 WeakPolarHBondContact CE-OE2 3.45Å; K43-E80 IonicContact NZ-OE1 2.67Å; K43-E80 PolarHBondContact NZ-OE1 3.43Å; K43-E80 IonicContact NZ-OE2 3.83Å; N78-E80 PolarHBondContact O-N 3.15Å; N78-E80 VanDerWaalsContact O-N 3.16Å; N78-E80 PolarHBondContact OD1-N 2.87Å; N78-E80 VanDerWaalsContact OD1-N 3.08Å; E80-K82 VanDerWaalsContact C-N 3.28Å; E80-K82 PolarHBondContact O-N 2.91Å; E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 PolarHBondContact O-OG1 3.16Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.13Å |
| 81 | T | 77.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -26.1 | 179.5 | 67 | 0 | 0 | 0 | 0 | 112.8 | L46 L75 L76 N78 P79 T83 L84 F85 | L46-T81 HydrophobicContact CD1-CG2 4.31Å; L75-T81 PolarHBondContact O-OG1 3.28Å; L76-T81 WeakPolarHBondContact CA-OG1 3.3Å; N78-T81 HydrophobicContact CB-CG2 4.12Å; N78-T81 PolarHBondContact O-N 3.41Å; N78-T81 PolarHBondContact O-OG1 3.49Å; P79-T81 VanDerWaalsContact C-N 3.33Å; P79-T81 PolarHBondContact O-N 3.08Å; T81-T83 VanDerWaalsContact C-N 3.34Å; T81-L84 PolarHBondContact O-N 3.01Å; T81-F85 VanDerWaalsContact O-CB 3.26Å; T81-F85 WeakPolarHBondContact O-CB 3.34Å; T81-F85 PolarHBondContact O-N 3.01Å |
| 82 | K | 80.9 | Confident | 79.8 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 172.6 | -61 | -172.5 | -178.5 | -173.7 | 0 | 111 | L76 N78 P79 E80 F85 A86 L116 D120 | L76-K82 HydrophobicContact CB-CG 4.47Å; L76-K82 HydrophobicContact CD2-CB 4.33Å; L76-K82 HydrophobicContact CD2-CG 4.01Å; L76-K82 WeakPolarHBondContact O-CE 3.49Å; L76-K82 VanDerWaalsContact O-CG 3.25Å; L76-K82 WeakPolarHBondContact O-CG 3.19Å; N78-K82 PolarHBondContact O-N 3.45Å; P79-K82 WeakPolarHBondContact O-CB 3.4Å; P79-K82 PolarHBondContact O-N 3.1Å; E80-K82 VanDerWaalsContact C-N 3.28Å; E80-K82 PolarHBondContact O-N 2.91Å; K82-F85 PolarHBondContact O-N 3.24Å; K82-A86 PolarHBondContact O-N 3.38Å; K82-L116 VanDerWaalsContact CE-O 3.24Å; K82-L116 WeakPolarHBondContact CE-O 3.32Å; K82-L116 PolarHBondContact NZ-O 3.11Å; K82-D120 IonicContact NZ-OD2 2.77Å; K82-D120 PolarHBondContact NZ-OD2 3.2Å |
| 83 | T | 77.3 | Confident | 79.6 | Confident | 53 Ų | 53 | 42 Ų | 42 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.5 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | P79 E80 T81 F85 A86 L87 L123 | P79-T83 PolarHBondContact O-N 3.47Å; E80-T83 PolarHBondContact O-N 3.39Å; E80-T83 PolarHBondContact O-OG1 3.16Å; T81-T83 VanDerWaalsContact C-N 3.34Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 3.21Å; T83-A86 PolarHBondContact O-N 2.78Å; T83-L87 WeakPolarHBondContact O-CB 3.31Å; T83-L87 VanDerWaalsContact O-CG 3.29Å; T83-L87 WeakPolarHBondContact O-CG 3.25Å; T83-L87 PolarHBondContact O-N 3.1Å; T83-L123 HydrophobicContact CG2-CD2 4.47Å |
| 84 | L | 80.3 | Confident | 79.5 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 177 | -63.6 | 177.5 | 0 | 0 | 0 | 112.1 | L46 L47 E80 T81 L87 A88 | L46-L84 HydrophobicContact CB-CD1 4.13Å; L47-L84 HydrophobicContact CB-CD1 4.35Å; L47-L84 HydrophobicContact CB-CD2 4.21Å; L47-L84 HydrophobicContact CD1-CB 3.95Å; L47-L84 HydrophobicContact CD1-CD2 4.12Å; E80-L84 WeakPolarHBondContact O-CG 3.41Å; E80-L84 PolarHBondContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 3.01Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L84-L87 PolarHBondContact O-N 3.05Å; L84-A88 WeakPolarHBondContact O-CB 3.21Å; L84-A88 PolarHBondContact O-N 3.31Å |
| 85 | F | 84.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.2 | -174.7 | -87.6 | 0 | 0 | 0 | 112 | V50 L54 L72 L76 T81 K82 T83 A88 G90 L94 I113 I117 | V50-F85 HydrophobicContact CG1-CB 4.23Å; V50-F85 HydrophobicContact CG1-CD2 3.75Å; V50-F85 HydrophobicContact CG1-CG 4.4Å; L54-F85 HydrophobicContact CD1-CD2 4.35Å; L54-F85 HydrophobicContact CD1-CE2 4.17Å; L54-F85 HydrophobicContact CD2-CE2 3.64Å; L54-F85 HydrophobicContact CD2-CZ 3.81Å; L54-F85 HydrophobicContact CG-CE2 4.11Å; L72-F85 HydrophobicContact CD1-CE2 4.17Å; L72-F85 HydrophobicContact CD2-CD2 3.99Å; L72-F85 HydrophobicContact CD2-CE2 3.78Å; L76-F85 HydrophobicContact CD2-CB 3.76Å; L76-F85 HydrophobicContact CD2-CD1 4.44Å; L76-F85 HydrophobicContact CD2-CD2 4.27Å; L76-F85 HydrophobicContact CD2-CG 3.91Å; T81-F85 VanDerWaalsContact O-CB 3.26Å; T81-F85 WeakPolarHBondContact O-CB 3.34Å; T81-F85 PolarHBondContact O-N 3.01Å; K82-F85 PolarHBondContact O-N 3.24Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 3.21Å; F85-A88 PolarHBondContact O-N 2.65Å; F85-G90 PolarHBondContact O-N 3.36Å; F85-G90 VanDerWaalsContact O-N 3.1Å; F85-L94 HydrophobicContact CE1-CD1 3.85Å; F85-L94 HydrophobicContact CZ-CD1 3.61Å; F85-L94 HydrophobicContact CZ-CG 4.13Å; F85-I113 HydrophobicContact CZ-CG2 4.44Å; F85-I117 HydrophobicContact CD1-CD1 3.6Å; F85-I117 HydrophobicContact CD1-CG1 4.42Å; F85-I117 HydrophobicContact CE1-CD1 3.44Å; F85-I117 VanDerWaalsContact CE1-CD1 3.44Å; F85-I117 HydrophobicContact CZ-CD1 4.45Å |
| 86 | A | 79.8 | Confident | 79.1 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | K82 T83 A88 G89 L123 | K82-A86 PolarHBondContact O-N 3.38Å; T83-A86 PolarHBondContact O-N 2.78Å; A86-A88 PolarHBondContact O-N 3.22Å; A86-G89 PolarHBondContact O-N 3.48Å; A86-L123 HydrophobicContact CB-CD2 4.18Å |
| 87 | L | 76 | Confident | 78.9 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.6 | -28.7 | 176.7 | -74.4 | 168.5 | 0 | 0 | 0 | 113.5 | T83 L84 G89 | T83-L87 WeakPolarHBondContact O-CB 3.31Å; T83-L87 VanDerWaalsContact O-CG 3.29Å; T83-L87 WeakPolarHBondContact O-CG 3.25Å; T83-L87 PolarHBondContact O-N 3.1Å; L84-L87 HydrophobicContact CD2-CD1 4.48Å; L84-L87 PolarHBondContact O-N 3.05Å; L87-G89 PolarHBondContact O-N 2.92Å |
| 88 | A | 79.5 | Confident | 78.9 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 3.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L47 V50 R51 L54 L84 F85 A86 G90 | L47-A88 HydrophobicContact CD1-CB 4.27Å; V50-A88 HydrophobicContact CG1-CB 4.24Å; R51-A88 HydrophobicContact CG-CB 3.82Å; L54-A88 HydrophobicContact CD1-CB 3.79Å; L84-A88 WeakPolarHBondContact O-CB 3.21Å; L84-A88 PolarHBondContact O-N 3.31Å; F85-A88 PolarHBondContact O-N 2.65Å; A86-A88 PolarHBondContact O-N 3.22Å; A88-G90 VanDerWaalsContact C-N 3.33Å |
| 89 | G | 79.5 | Confident | 79.1 | Confident | 29 Ų | 29 | 47.4 Ų | 47.4 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 15.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A86 L87 C91 S92 V93 | A86-G89 PolarHBondContact O-N 3.48Å; L87-G89 PolarHBondContact O-N 2.92Å; G89-C91 VanDerWaalsContact C-N 3.29Å; G89-C91 PolarHBondContact O-N 3.49Å; G89-S92 PolarHBondContact O-N 3.26Å; G89-S92 PolarHBondContact O-OG 2.92Å; G89-V93 PolarHBondContact O-N 3.34Å |
| 90 | G | 81.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.8 | -36.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F85 A88 S92 V93 L94 | F85-G90 PolarHBondContact O-N 3.36Å; F85-G90 VanDerWaalsContact O-N 3.1Å; A88-G90 VanDerWaalsContact C-N 3.33Å; G90-S92 VanDerWaalsContact C-N 3.32Å; G90-S92 PolarHBondContact O-N 3.24Å; G90-V93 PolarHBondContact O-N 3.3Å; G90-L94 WeakPolarHBondContact O-CB 3.38Å; G90-L94 WeakPolarHBondContact O-CG 3.37Å; G90-L94 PolarHBondContact O-N 3.03Å |
| 91 | C | 80.7 | Confident | 79.2 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -37.5 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | G89 T95 | G89-C91 VanDerWaalsContact C-N 3.29Å; G89-C91 PolarHBondContact O-N 3.49Å; C91-T95 WeakPolarHBondContact O-CB 3.39Å; C91-T95 PolarHBondContact O-N 2.92Å; C91-T95 PolarHBondContact O-OG1 3.27Å |
| 92 | S | 77.1 | Confident | 79.1 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.6 | -41 | 178.7 | 73 | 0 | 0 | 0 | 0 | 111.6 | G89 G90 T95 K96 | G89-S92 PolarHBondContact O-N 3.26Å; G89-S92 PolarHBondContact O-OG 2.92Å; G90-S92 VanDerWaalsContact C-N 3.32Å; G90-S92 PolarHBondContact O-N 3.24Å; S92-T95 PolarHBondContact O-N 3.43Å; S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 3.39Å |
| 93 | V | 81.7 | Confident | 79 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | L54 E58 G89 G90 T95 K96 M97 | L54-V93 HydrophobicContact CD2-CB 4.36Å; L54-V93 HydrophobicContact CD2-CG1 4.38Å; E58-V93 HydrophobicContact CB-CG1 4.37Å; G89-V93 PolarHBondContact O-N 3.34Å; G90-V93 PolarHBondContact O-N 3.3Å; V93-T95 VanDerWaalsContact C-N 3.31Å; V93-T95 PolarHBondContact O-N 3.14Å; V93-K96 PolarHBondContact O-N 3.39Å; V93-M97 WeakPolarHBondContact O-CB 3.49Å; V93-M97 PolarHBondContact O-N 3.49Å |
| 94 | L | 82.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.8 | -72.5 | 179.5 | 0 | 0 | 0 | 111.9 | F69 F85 G90 M97 R98 I110 I113 | F69-L94 HydrophobicContact CE1-CD2 3.91Å; F85-L94 HydrophobicContact CE1-CD1 3.85Å; F85-L94 HydrophobicContact CZ-CD1 3.61Å; F85-L94 HydrophobicContact CZ-CG 4.13Å; G90-L94 WeakPolarHBondContact O-CB 3.38Å; G90-L94 WeakPolarHBondContact O-CG 3.37Å; G90-L94 PolarHBondContact O-N 3.03Å; L94-M97 PolarHBondContact O-N 2.96Å; L94-R98 VanDerWaalsContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CB 3.49Å; L94-R98 PolarHBondContact O-N 3.39Å; L94-I110 HydrophobicContact CB-CG2 4.01Å; L94-I110 HydrophobicContact CD2-CG1 4.18Å; L94-I110 HydrophobicContact CD2-CG2 4.27Å; L94-I113 HydrophobicContact CD1-CB 4.32Å; L94-I113 HydrophobicContact CD1-CG2 3.54Å |
| 95 | T | 77.3 | Confident | 79.1 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | C91 S92 V93 R98 N99 | C91-T95 WeakPolarHBondContact O-CB 3.39Å; C91-T95 PolarHBondContact O-N 2.92Å; C91-T95 PolarHBondContact O-OG1 3.27Å; S92-T95 PolarHBondContact O-N 3.43Å; V93-T95 VanDerWaalsContact C-N 3.31Å; V93-T95 PolarHBondContact O-N 3.14Å; T95-R98 PolarHBondContact O-N 3.2Å; T95-N99 VanDerWaalsContact O-CG 3.3Å; T95-N99 PolarHBondContact O-N 2.89Å; T95-N99 VanDerWaalsContact O-N 3.11Å; T95-N99 PolarHBondContact O-ND2 3.05Å |
| 96 | K | 78.2 | Confident | 78.8 | Confident | 129 Ų | 129 | 60.1 Ų | 60.1 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.6 | -49.3 | 173.8 | -75 | 179.9 | -174.8 | 176.1 | 0 | 111.1 | E58 S92 V93 R98 N99 S100 | E58-K96 IonicContact OE1-NZ 3.6Å; S92-K96 WeakPolarHBondContact O-CG 3.45Å; S92-K96 PolarHBondContact O-N 3.39Å; V93-K96 PolarHBondContact O-N 3.39Å; K96-R98 VanDerWaalsContact C-N 3.35Å; K96-R98 PolarHBondContact O-N 2.88Å; K96-N99 PolarHBondContact O-N 3.13Å; K96-S100 PolarHBondContact O-N 3.05Å; K96-S100 PolarHBondContact O-OG 2.91Å |
| 97 | M | 79.6 | Confident | 78.8 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.069 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 178.8 | -85.5 | -124.3 | -61.9 | 0 | 0 | 113.1 | L57 T65 F69 V93 L94 N99 S100 T101 I110 | L57-M97 HydrophobicContact CB-CE 3.96Å; L57-M97 HydrophobicContact CB-SD 4.3Å; L57-M97 HydrophobicContact CD1-CE 4.18Å; L57-M97 HydrophobicContact CD2-CE 3.9Å; L57-M97 HydrophobicContact CG-CE 4.23Å; T65-M97 HydrophobicContact CG2-CE 4.47Å; F69-M97 HydrophobicContact CE1-CE 4.14Å; F69-M97 HydrophobicContact CZ-CE 3.58Å; V93-M97 WeakPolarHBondContact O-CB 3.49Å; V93-M97 PolarHBondContact O-N 3.49Å; L94-M97 PolarHBondContact O-N 2.96Å; M97-N99 VanDerWaalsContact C-N 3.31Å; M97-N99 PolarHBondContact O-N 3.47Å; M97-S100 WeakPolarHBondContact CA-OG 3.34Å; M97-S100 PolarHBondContact O-N 3.4Å; M97-S100 PolarHBondContact O-OG 3.32Å; M97-S100 VanDerWaalsContact O-OG 3.13Å; M97-T101 WeakPolarHBondContact O-CB 3.36Å; M97-T101 PolarHBondContact O-N 3.19Å; M97-T101 PolarHBondContact O-OG1 3.19Å; M97-I110 HydrophobicContact CB-CD1 4.1Å |
| 98 | R | 78.5 | Confident | 79.1 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 36% | 0.362 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 177.3 | -168.2 | -178.5 | -174.4 | -92.2 | 1.8 | 111.7 | L94 T95 K96 K107 I110 D111 | L94-R98 VanDerWaalsContact O-CB 3.27Å; L94-R98 WeakPolarHBondContact O-CB 3.49Å; L94-R98 PolarHBondContact O-N 3.39Å; T95-R98 PolarHBondContact O-N 3.2Å; K96-R98 VanDerWaalsContact C-N 3.35Å; K96-R98 PolarHBondContact O-N 2.88Å; R98-K107 HydrophobicContact CG-CG 4.4Å; R98-K107 WeakPolarHBondContact O-CE 3.47Å; R98-I110 HydrophobicContact CB-CD1 4.12Å; R98-I110 HydrophobicContact CB-CG2 4.05Å; R98-I110 HydrophobicContact CG-CG2 4.31Å; R98-D111 IonicContact CZ-OD1 3.61Å; R98-D111 IonicContact CZ-OD2 3.08Å; R98-D111 IonicContact NE-OD1 3.3Å; R98-D111 PolarHBondContact NE-OD1 3.47Å; R98-D111 IonicContact NE-OD2 3.66Å; R98-D111 IonicContact NH2-OD1 3.81Å; R98-D111 PolarHBondContact NH2-OD1 2.94Å; R98-D111 IonicContact NH2-OD2 3.23Å; R98-D111 PolarHBondContact NH2-OD2 3.41Å |
| 99 | N | 78.7 | Confident | 79.2 | Confident | 123 Ų | 123 | 65 Ų | 65 | 66% | 0.658 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.4 | -31.8 | 179.2 | -68.9 | -16.5 | 0 | 0 | 0 | 112.6 | T95 K96 M97 | T95-N99 VanDerWaalsContact O-CG 3.3Å; T95-N99 PolarHBondContact O-N 2.89Å; T95-N99 VanDerWaalsContact O-N 3.11Å; T95-N99 PolarHBondContact O-ND2 3.05Å; K96-N99 PolarHBondContact O-N 3.13Å; M97-N99 VanDerWaalsContact C-N 3.31Å; M97-N99 PolarHBondContact O-N 3.47Å |
| 100 | S | 76.4 | Confident | 79.4 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -84.2 | -27.2 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | K96 M97 | K96-S100 PolarHBondContact O-N 3.05Å; K96-S100 PolarHBondContact O-OG 2.91Å; M97-S100 WeakPolarHBondContact CA-OG 3.34Å; M97-S100 PolarHBondContact O-N 3.4Å; M97-S100 PolarHBondContact O-OG 3.32Å; M97-S100 VanDerWaalsContact O-OG 3.13Å |
| 101 | T | 76.3 | Confident | 79.4 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 15% | 0.153 | 36% | 0.355 | C | S | . | . | trans | -85.2 | 131.2 | -171.7 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | M97 N103 L106 K107 | M97-T101 WeakPolarHBondContact O-CB 3.36Å; M97-T101 PolarHBondContact O-N 3.19Å; M97-T101 PolarHBondContact O-OG1 3.19Å; T101-N103 HydrophobicContact CG2-CB 3.76Å; T101-L106 HydrophobicContact CG2-CB 3.9Å; T101-L106 HydrophobicContact CG2-CD1 3.78Å; T101-L106 HydrophobicContact CG2-CG 4.47Å; T101-K107 WeakPolarHBondContact O-CE 3.33Å; T101-K107 PolarHBondContact O-NZ 3.05Å | ||
| 102 | S | 74.3 | Confident | 79.5 | Confident | 121 Ų | 121 | 67.9 Ų | 67.9 | 85% | 0.846 | 36% | 0.36 | S | S | * | . | trans | -88 | -15.7 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | S104 | S102-S104 PolarHBondContact O-N 2.94Š| ||
| 103 | N | 79.6 | Confident | 79.8 | Confident | 68 Ų | 68 | 65 Ų | 65 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -72 | 121.9 | -179.7 | -172 | -15.2 | 0 | 0 | 0 | 111.8 | T101 E105 L106 K107 | T101-N103 HydrophobicContact CG2-CB 3.76Å; N103-E105 PolarHBondContact OD1-N 3.44Å; N103-L106 HydrophobicContact CB-CB 4.24Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 HydrophobicContact CB-CG 4.15Å; N103-K107 PolarHBondContact O-N 3.48Å | ||
| 104 | S | 79.6 | Confident | 79.7 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.1 | -30.3 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | S102 K107 R108 | S102-S104 PolarHBondContact O-N 2.94Å; S104-K107 PolarHBondContact O-N 3.3Å; S104-R108 PolarHBondContact O-N 3.14Å; S104-R108 VanDerWaalsContact O-N 3.12Å |
| 105 | E | 79.6 | Confident | 79.6 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 176.8 | -68.1 | -177 | 165.4 | 0 | 0 | 110.9 | N103 K107 R108 D109 | N103-E105 PolarHBondContact OD1-N 3.44Å; E105-K107 VanDerWaalsContact C-N 3.26Å; E105-K107 PolarHBondContact O-N 3.44Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 2.91Å; E105-D109 PolarHBondContact O-N 3.29Å |
| 106 | L | 78.4 | Confident | 79.6 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 175.9 | -67.5 | 174.4 | 0 | 0 | 0 | 111.4 | T65 N66 F69 T101 N103 D109 I110 | T65-L106 HydrophobicContact CG2-CD2 3.94Å; N66-L106 WeakPolarHBondContact OD1-CD2 3.45Å; F69-L106 HydrophobicContact CD2-CD2 4.07Å; F69-L106 HydrophobicContact CE2-CD2 3.62Å; T101-L106 HydrophobicContact CG2-CB 3.9Å; T101-L106 HydrophobicContact CG2-CD1 3.78Å; T101-L106 HydrophobicContact CG2-CG 4.47Å; N103-L106 HydrophobicContact CB-CB 4.24Å; N103-L106 HydrophobicContact CB-CD1 3.92Å; N103-L106 HydrophobicContact CB-CG 4.15Å; L106-D109 PolarHBondContact O-N 3.26Å; L106-I110 WeakPolarHBondContact O-CB 3.33Å; L106-I110 WeakPolarHBondContact O-CD1 3.34Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 2.97Å |
| 107 | K | 79.5 | Confident | 79.4 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 172.7 | -75.4 | -174.2 | -175.9 | -179 | 0 | 112.2 | R98 T101 N103 S104 E105 I110 D111 | R98-K107 HydrophobicContact CG-CG 4.4Å; R98-K107 WeakPolarHBondContact O-CE 3.47Å; T101-K107 WeakPolarHBondContact O-CE 3.33Å; T101-K107 PolarHBondContact O-NZ 3.05Å; N103-K107 PolarHBondContact O-N 3.48Å; S104-K107 PolarHBondContact O-N 3.3Å; E105-K107 VanDerWaalsContact C-N 3.26Å; E105-K107 PolarHBondContact O-N 3.44Å; K107-I110 PolarHBondContact O-N 3.31Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.95Å |
| 108 | R | 83.5 | Confident | 78.9 | Confident | 167 Ų | 167 | 68 Ų | 68 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 174.4 | -72.4 | -173.7 | -149.7 | 154.1 | 7 | 111.9 | S104 E105 I110 D111 D112 | S104-R108 PolarHBondContact O-N 3.14Å; S104-R108 VanDerWaalsContact O-N 3.12Å; E105-R108 WeakPolarHBondContact O-CB 3.46Å; E105-R108 PolarHBondContact O-N 2.91Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.05Å; R108-D111 PolarHBondContact O-N 3.26Å; R108-D111 VanDerWaalsContact O-N 3.14Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 2.91Å |
| 109 | D | 81.3 | Confident | 78.2 | Confident | 37 Ų | 37 | 70 Ų | 70 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 178.5 | -79.7 | -31.3 | 0 | 0 | 0 | 112.4 | F69 K73 E105 L106 I113 | F69-D109 HydrophobicContact CB-CB 4.42Å; F69-D109 HydrophobicContact CD2-CB 3.68Å; F69-D109 HydrophobicContact CE2-CB 4.07Å; F69-D109 HydrophobicContact CG-CB 4.16Å; K73-D109 IonicContact NZ-OD1 2.78Å; K73-D109 PolarHBondContact NZ-OD1 3.03Å; E105-D109 PolarHBondContact O-N 3.29Å; L106-D109 PolarHBondContact O-N 3.26Å; D109-I113 VanDerWaalsContact O-CG1 3.29Å; D109-I113 WeakPolarHBondContact O-CG1 3.43Å; D109-I113 PolarHBondContact O-N 3.19Å; D109-I113 VanDerWaalsContact O-N 3.08Å |
| 110 | I | 82.5 | Confident | 77 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.6 | -66.5 | 164.7 | 0 | 0 | 0 | 110.6 | F69 L94 M97 R98 L106 K107 R108 I113 C114 | F69-I110 HydrophobicContact CE1-CG1 4.21Å; F69-I110 HydrophobicContact CE2-CG1 4.26Å; F69-I110 HydrophobicContact CZ-CD1 4.26Å; F69-I110 HydrophobicContact CZ-CG1 3.59Å; L94-I110 HydrophobicContact CB-CG2 4.01Å; L94-I110 HydrophobicContact CD2-CG1 4.18Å; L94-I110 HydrophobicContact CD2-CG2 4.27Å; M97-I110 HydrophobicContact CB-CD1 4.1Å; R98-I110 HydrophobicContact CB-CD1 4.12Å; R98-I110 HydrophobicContact CB-CG2 4.05Å; R98-I110 HydrophobicContact CG-CG2 4.31Å; L106-I110 WeakPolarHBondContact O-CB 3.33Å; L106-I110 WeakPolarHBondContact O-CD1 3.34Å; L106-I110 WeakPolarHBondContact O-CG1 3.34Å; L106-I110 PolarHBondContact O-N 2.97Å; K107-I110 PolarHBondContact O-N 3.31Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 PolarHBondContact O-N 3.05Å; I110-I113 PolarHBondContact O-N 3.49Å; I110-C114 PolarHBondContact O-N 3.26Å; I110-C114 PolarHBondContact O-SG 2.87Å |
| 111 | D | 82.7 | Confident | 75.7 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 178.3 | -72.2 | -17.8 | 0 | 0 | 0 | 111.2 | R98 K107 R108 I113 C114 V115 | R98-D111 IonicContact CZ-OD1 3.61Å; R98-D111 IonicContact CZ-OD2 3.08Å; R98-D111 IonicContact NE-OD1 3.3Å; R98-D111 PolarHBondContact NE-OD1 3.47Å; R98-D111 IonicContact NE-OD2 3.66Å; R98-D111 IonicContact NH2-OD1 3.81Å; R98-D111 PolarHBondContact NH2-OD1 2.94Å; R98-D111 IonicContact NH2-OD2 3.23Å; R98-D111 PolarHBondContact NH2-OD2 3.41Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.95Å; R108-D111 PolarHBondContact O-N 3.26Å; R108-D111 VanDerWaalsContact O-N 3.14Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 3.42Å; D111-C114 WeakPolarHBondContact O-CB 3.45Å; D111-C114 PolarHBondContact O-N 3.45Å; D111-C114 VanDerWaalsContact O-N 3.15Å; D111-V115 VanDerWaalsContact O-CG2 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.22Å |
| 112 | D | 82.2 | Confident | 74.3 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.2 | -72.2 | -10.2 | 0 | 0 | 0 | 112 | K73 R108 V115 L116 | K73-D112 IonicContact NZ-OD2 3.74Å; K73-D112 PolarHBondContact NZ-OD2 3.38Å; R108-D112 VanDerWaalsContact O-CG 3.3Å; R108-D112 PolarHBondContact O-N 2.91Å; D112-V115 PolarHBondContact O-N 2.88Å; D112-L116 WeakPolarHBondContact O-CG 3.34Å; D112-L116 PolarHBondContact O-N 3.11Å |
| 113 | I | 83.9 | Confident | 73 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 176.7 | -70.2 | 168.7 | 0 | 0 | 0 | 110.6 | F69 L72 K73 L76 F85 L94 D109 I110 D111 V115 L116 I117 | F69-I113 HydrophobicContact CB-CD1 4.17Å; F69-I113 HydrophobicContact CD1-CD1 3.31Å; F69-I113 HydrophobicContact CE1-CD1 3.93Å; F69-I113 HydrophobicContact CG-CD1 4.01Å; L72-I113 HydrophobicContact CB-CD1 4.28Å; K73-I113 HydrophobicContact CD-CG1 4.5Å; K73-I113 HydrophobicContact CG-CD1 4.17Å; K73-I113 HydrophobicContact CG-CG1 3.63Å; L76-I113 HydrophobicContact CD1-CG2 3.61Å; F85-I113 HydrophobicContact CZ-CG2 4.44Å; L94-I113 HydrophobicContact CD1-CB 4.32Å; L94-I113 HydrophobicContact CD1-CG2 3.54Å; D109-I113 VanDerWaalsContact O-CG1 3.29Å; D109-I113 WeakPolarHBondContact O-CG1 3.43Å; D109-I113 PolarHBondContact O-N 3.19Å; D109-I113 VanDerWaalsContact O-N 3.08Å; I110-I113 PolarHBondContact O-N 3.49Å; D111-I113 VanDerWaalsContact C-N 3.33Å; D111-I113 PolarHBondContact O-N 3.42Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.93Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-I117 HydrophobicContact CG2-CD1 4.03Å; I113-I117 WeakPolarHBondContact O-CD1 3.42Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.36Å; I113-I117 PolarHBondContact O-N 2.95Å |
| 114 | C | 79.1 | Confident | 71.3 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | I110 D111 I117 T118 | I110-C114 PolarHBondContact O-N 3.26Å; I110-C114 PolarHBondContact O-SG 2.87Å; D111-C114 WeakPolarHBondContact O-CB 3.45Å; D111-C114 PolarHBondContact O-N 3.45Å; D111-C114 VanDerWaalsContact O-N 3.15Å; C114-I117 PolarHBondContact O-N 2.94Å; C114-T118 PolarHBondContact O-N 3.26Å; C114-T118 PolarHBondContact O-OG1 2.95Å; C114-T118 VanDerWaalsContact O-OG1 3.1Å |
| 115 | V | 79.4 | Confident | 69.6 | Low | 68 Ų | 68 | 66.7 Ų | 66.7 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 111 | D111 D112 I113 I117 T118 E119 | D111-V115 VanDerWaalsContact O-CG2 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.45Å; D111-V115 PolarHBondContact O-N 3.22Å; D112-V115 PolarHBondContact O-N 2.88Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 2.93Å; V115-I117 PolarHBondContact O-N 2.74Å; V115-I117 VanDerWaalsContact O-N 3.12Å; V115-T118 WeakPolarHBondContact CA-OG1 3.31Å; V115-T118 PolarHBondContact O-N 3.4Å; V115-T118 PolarHBondContact O-OG1 3.04Å; V115-E119 HydrophobicContact CG1-CG 4.07Å; V115-E119 WeakPolarHBondContact O-CG 3.39Å; V115-E119 PolarHBondContact O-N 3.28Å |
| 116 | L | 77.8 | Confident | 67.6 | Low | 37 Ų | 37 | 63.3 Ų | 63.3 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.1 | -29.7 | 177.3 | -77.2 | 168.1 | 0 | 0 | 0 | 113.3 | K73 K82 D112 I113 | K73-L116 HydrophobicContact CB-CD1 4.23Å; K73-L116 HydrophobicContact CG-CD1 4.12Å; K82-L116 VanDerWaalsContact CE-O 3.24Å; K82-L116 WeakPolarHBondContact CE-O 3.32Å; K82-L116 PolarHBondContact NZ-O 3.11Å; D112-L116 WeakPolarHBondContact O-CG 3.34Å; D112-L116 PolarHBondContact O-N 3.11Å; I113-L116 PolarHBondContact O-N 3.45Å |
| 117 | I | 73.9 | Confident | 65.7 | Low | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.077 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -80 | -41 | 176.6 | -63.2 | 162.4 | 0 | 0 | 0 | 110.9 | L76 F85 I113 C114 V115 L123 | L76-I117 HydrophobicContact CD1-CG1 4.44Å; L76-I117 HydrophobicContact CD2-CG1 4.49Å; F85-I117 HydrophobicContact CD1-CD1 3.6Å; F85-I117 HydrophobicContact CD1-CG1 4.42Å; F85-I117 HydrophobicContact CE1-CD1 3.44Å; F85-I117 VanDerWaalsContact CE1-CD1 3.44Å; F85-I117 HydrophobicContact CZ-CD1 4.45Å; I113-I117 HydrophobicContact CG2-CD1 4.03Å; I113-I117 WeakPolarHBondContact O-CD1 3.42Å; I113-I117 VanDerWaalsContact O-CG1 3.3Å; I113-I117 WeakPolarHBondContact O-CG1 3.36Å; I113-I117 PolarHBondContact O-N 2.95Å; C114-I117 PolarHBondContact O-N 2.94Å; V115-I117 PolarHBondContact O-N 2.74Å; V115-I117 VanDerWaalsContact O-N 3.12Å; I117-L123 HydrophobicContact CG2-CD1 4Å; I117-L123 VanDerWaalsContact O-CD1 3.24Å; I117-L123 WeakPolarHBondContact O-CD1 3.38Å |
| 118 | T | 69.3 | Low | 63.6 | Low | 108 Ų | 108 | 66.4 Ų | 66.4 | 66% | 0.663 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -78.3 | -24.1 | -176.1 | 47.2 | 0 | 0 | 0 | 0 | 115.5 | C114 V115 D120 | C114-T118 PolarHBondContact O-N 3.26Å; C114-T118 PolarHBondContact O-OG1 2.95Å; C114-T118 VanDerWaalsContact O-OG1 3.1Å; V115-T118 WeakPolarHBondContact CA-OG1 3.31Å; V115-T118 PolarHBondContact O-N 3.4Å; V115-T118 PolarHBondContact O-OG1 3.04Å; T118-D120 PolarHBondContact O-N 3.34Å; T118-D120 VanDerWaalsContact O-N 3.13Å |
| 119 | E | 64.8 | Low | 61.2 | Low | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.2 | -178.3 | -78.7 | -178.4 | 166.6 | 0 | 0 | 114.1 | V115 P121 | V115-E119 HydrophobicContact CG1-CG 4.07Å; V115-E119 WeakPolarHBondContact O-CG 3.39Å; V115-E119 PolarHBondContact O-N 3.28Å; E119-P121 WeakPolarHBondContact O-CD 3.42Å |
| 120 | D | 53.8 | Low | 58.8 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | trans | -102.7 | 109.5 | 179.1 | -100.3 | -42 | 0 | 0 | 0 | 112.5 | K82 T118 S122 | K82-D120 IonicContact NZ-OD2 2.77Å; K82-D120 PolarHBondContact NZ-OD2 3.2Å; T118-D120 PolarHBondContact O-N 3.34Å; T118-D120 VanDerWaalsContact O-N 3.13Å; D120-S122 PolarHBondContact O-N 2.98Å; D120-S122 VanDerWaalsContact O-N 3.07Å | ||
| 121 | P | 48.3 | Very low | 56.3 | Low | 109 Ų | 109 | 78 Ų | 78 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -65.9 | -10.1 | 177.3 | 24.3 | -31.5 | 0 | 0 | 0 | 114 | E119 L123 S124 | E119-P121 WeakPolarHBondContact O-CD 3.42Å; P121-L123 VanDerWaalsContact C-N 3.25Å; P121-L123 PolarHBondContact O-N 3.44Å; P121-S124 PolarHBondContact O-N 3.39Å; P121-S124 PolarHBondContact O-OG 2.72Å |
| 122 | S | 47.4 | Very low | 54 | Low | 75 Ų | 75 | 82.4 Ų | 82.4 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -66.9 | -18.2 | -178.8 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | D120 S124 | D120-S122 PolarHBondContact O-N 2.98Å; D120-S122 VanDerWaalsContact O-N 3.07Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 3.06Å |
| 123 | L | 45.8 | Very low | 51.6 | Low | 36 Ų | 36 | 85.4 Ų | 85.4 | 19% | 0.188 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -72.6 | -21.1 | 178.8 | -83.8 | 150.8 | 0 | 0 | 0 | 113.9 | T83 A86 I117 P121 G125 | T83-L123 HydrophobicContact CG2-CD2 4.47Å; A86-L123 HydrophobicContact CB-CD2 4.18Å; I117-L123 HydrophobicContact CG2-CD1 4Å; I117-L123 VanDerWaalsContact O-CD1 3.24Å; I117-L123 WeakPolarHBondContact O-CD1 3.38Å; P121-L123 VanDerWaalsContact C-N 3.25Å; P121-L123 PolarHBondContact O-N 3.44Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.39Å |
| 124 | S | 44.9 | Very low | 49.1 | Very low | 111 Ų | 111 | 90.8 Ų | 90.8 | 78% | 0.776 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -70.5 | -27.5 | 179.3 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | P121 S122 | P121-S124 PolarHBondContact O-N 3.39Å; P121-S124 PolarHBondContact O-OG 2.72Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 3.06Å |
| 125 | G | 43.8 | Very low | 46.8 | Very low | 49 Ų | 49 | 96 Ų | 96 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L123 V127 G128 | L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.39Å; G125-V127 VanDerWaalsContact C-N 3.28Å; G125-V127 PolarHBondContact O-N 3.44Å; G125-G128 PolarHBondContact O-N 2.9Å |
| 126 | A | 38.3 | Very low | 44.6 | Very low | 44 Ų | 44 | 102 Ų | 102 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -14.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 127 | V | 37 | Very low | 42.4 | Very low | 115 Ų | 115 | 108.2 Ų | 108.2 | 70% | 0.697 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -18.7 | -179.3 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | G125 | G125-V127 VanDerWaalsContact C-N 3.28Å; G125-V127 PolarHBondContact O-N 3.44Å |
| 128 | G | 35.7 | Very low | 40.2 | Very low | 50 Ų | 50 | 112.9 Ų | 112.9 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -45.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | G125 F130 | G125-G128 PolarHBondContact O-N 2.9Å; G128-F130 PolarHBondContact O-N 3.47Å |
| 129 | D | 33.4 | Very low | 38.2 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 81% | 0.807 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -2.9 | -163.3 | -73.8 | -19.1 | 0 | 0 | 0 | 115.4 | ||
| 130 | F | 30.5 | Very low | 36.5 | Very low | 135 Ų | 135 | 115.5 Ų | 115.5 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 5 | 178.5 | -79.7 | -78.5 | 0 | 0 | 0 | 114.9 | G128 N132 | G128-F130 PolarHBondContact O-N 3.47Å; F130-N132 VanDerWaalsContact C-N 3.27Å; F130-N132 PolarHBondContact O-N 3.39Å |
| 131 | K | 30 | Very low | 35.2 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -17.5 | -178.4 | -98.5 | -176.9 | 177.3 | 178.9 | 0 | 115.1 | ||
| 132 | N | 34.3 | Very low | 34 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -26.4 | -172.2 | -73.9 | -10.6 | 0 | 0 | 0 | 115.2 | F130 | F130-N132 VanDerWaalsContact C-N 3.27Å; F130-N132 PolarHBondContact O-N 3.39Å |
| 133 | D | 32.9 | Very low | 32.9 | Very low | 144 Ų | 144 | 125 Ų | 125 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -11.1 | 179.8 | -74.2 | -20.5 | 0 | 0 | 0 | 113.7 | ||
| 134 | F | 30.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 50% | 0.496 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -14.7 | -175.5 | -114.5 | -85.3 | 0 | 0 | 0 | 115.6 | K136 I138 | F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 2.94Å; F134-I138 HydrophobicContact CD1-CD1 4.22Å |
| 135 | L | 31.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -4.4 | -176.9 | -85.2 | 171.6 | 0 | 0 | 0 | 114.8 | ||
| 136 | K | 32.7 | Very low | 29.7 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -19.2 | 179.3 | -80.1 | -177.1 | 176.9 | 175.9 | 0 | 115.7 | F134 | F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 2.94Å |
| 137 | E | 31 | Very low | 29 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -4.2 | -178.1 | -83.8 | -170.1 | 158.1 | 0 | 0 | 115.2 | Q139 | E137-Q139 VanDerWaalsContact C-N 3.34Å; E137-Q139 PolarHBondContact O-N 3.42Å |
| 138 | I | 28.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 57% | 0.574 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -81.7 | -4.9 | -178.6 | -67.4 | 178.6 | 0 | 0 | 0 | 113.7 | F134 T140 | F134-I138 HydrophobicContact CD1-CD1 4.22Å; I138-T140 VanDerWaalsContact C-N 3.26Å; I138-T140 PolarHBondContact O-N 3.39Å |
| 139 | Q | 27.4 | Very low | 27.7 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -75.1 | -0.5 | -180 | -81.5 | -171.9 | -11.4 | 0 | 0 | 116.1 | E137 | E137-Q139 VanDerWaalsContact C-N 3.34Å; E137-Q139 PolarHBondContact O-N 3.42Å |
| 140 | T | 29 | Very low | 27.2 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -112.9 | 10.2 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 115.8 | I138 | I138-T140 VanDerWaalsContact C-N 3.26Å; I138-T140 PolarHBondContact O-N 3.39Å |
| 141 | F | 26.2 | Very low | 26.9 | Very low | 186 Ų | 186 | 150 Ų | 150 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -137.6 | 70.5 | 172.6 | -78.2 | -82.6 | 0 | 0 | 0 | 111.3 | D143 | F141-D143 PolarHBondContact O-N 2.89Š| ||
| 142 | S | 23 | Very low | 26.5 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -76.4 | 105.7 | 163.7 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 143 | D | 24.4 | Very low | 26 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 174.9 | 53.4 | 144.9 | -87.3 | -12.7 | 0 | 0 | 0 | 110.8 | F141 | F141-D143 PolarHBondContact O-N 2.89Š| ||
| 144 | F | 24.3 | Very low | 25.5 | Very low | 218 Ų | 218 | 147.8 Ų | 147.8 | 96% | 0.956 | 76% | 0.755 | S | S | * | * | trans | -151.4 | 80.6 | 161.7 | -83.6 | -71.9 | 0 | 0 | 0 | 109.7 | ||||
| 145 | N | 20.8 | Very low | 25.2 | Very low | 164 Ų | 164 | 148 Ų | 148 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -84.7 | 132 | 168.1 | -88.3 | -21.2 | 0 | 0 | 0 | 110.9 | ||||
| 146 | S | 22.8 | Very low | 24.7 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 57 | 98.4 | 151.2 | 65.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 147 | I | 24 | Very low | 24.6 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -144.3 | 95.2 | 133.1 | -56.2 | -176.2 | 0 | 0 | 0 | 107.9 | S149 | I147-S149 PolarHBondContact O-N 2.88Š| ||
| 148 | E | 21.4 | Very low | 24.3 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -70 | 99.6 | 163.3 | -75.8 | 178.8 | 150.7 | 0 | 0 | 108.6 | ||||
| 149 | S | 23.5 | Very low | 24.1 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -99.4 | 97.7 | 166.2 | 61.7 | 0 | 0 | 0 | 0 | 109.1 | I147 F151 | I147-S149 PolarHBondContact O-N 2.88Å; S149-F151 PolarHBondContact O-N 3.47Å | ||
| 150 | N | 23.8 | Very low | 23.9 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -56.6 | 117.5 | 174.4 | -78.4 | -30.3 | 0 | 0 | 0 | 111 | V152 | N150-V152 PolarHBondContact O-N 3.43Å; N150-V152 VanDerWaalsContact O-N 3.09Å | ||
| 151 | F | 23 | Very low | 23.7 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 62% | 0.623 | 78% | 0.776 | S | S | * | * | trans | -77 | 86.3 | 177.1 | -137.2 | -98.5 | 0 | 0 | 0 | 108.7 | S149 I153 | S149-F151 PolarHBondContact O-N 3.47Å; F151-I153 HydrophobicContact CD1-CD1 3.74Å; F151-I153 HydrophobicContact CD1-CG1 3.59Å; F151-I153 HydrophobicContact CE1-CD1 3.8Å; F151-I153 HydrophobicContact CE1-CG1 3.83Å; F151-I153 PolarHBondContact O-N 3.29Å | ||
| 152 | V | 21.6 | Very low | 23.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | trans | -87.8 | 90 | 171.2 | -178 | 0 | 0 | 0 | 0 | 108 | N150 H154 | N150-V152 PolarHBondContact O-N 3.43Å; N150-V152 VanDerWaalsContact O-N 3.09Å; V152-H154 PolarHBondContact O-N 3.11Å | ||
| 153 | I | 25.1 | Very low | 23.6 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 59% | 0.59 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 113.7 | 166.1 | -61.5 | 172.5 | 0 | 0 | 0 | 106.5 | F151 T155 | F151-I153 HydrophobicContact CD1-CD1 3.74Å; F151-I153 HydrophobicContact CD1-CG1 3.59Å; F151-I153 HydrophobicContact CE1-CD1 3.8Å; F151-I153 HydrophobicContact CE1-CG1 3.83Å; F151-I153 PolarHBondContact O-N 3.29Å; I153-T155 HydrophobicContact CG2-CG2 4.26Å; I153-T155 PolarHBondContact O-N 2.93Å | ||
| 154 | H | 21.4 | Very low | 23.4 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 88.6 | 163.1 | -85.2 | -87.8 | 0 | 0 | 0 | 108.6 | V152 S156 | V152-H154 PolarHBondContact O-N 3.11Å; H154-S156 VanDerWaalsContact C-N 3.3Å; H154-S156 PolarHBondContact O-N 3.25Å; H154-S156 VanDerWaalsContact O-N 3.07Å | ||
| 155 | T | 23.5 | Very low | 23.4 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -71.9 | 90.6 | 161.5 | 48.9 | 0 | 0 | 0 | 0 | 107.2 | I153 P157 | I153-T155 HydrophobicContact CG2-CG2 4.26Å; I153-T155 PolarHBondContact O-N 2.93Å; T155-P157 VanDerWaalsContact O-CD 3.26Å; T155-P157 WeakPolarHBondContact O-CD 3.5Å | ||
| 156 | S | 22.4 | Very low | 23.5 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -70.7 | 109.3 | 156.5 | 50.3 | 0 | 0 | 0 | 0 | 106.7 | H154 D158 | H154-S156 VanDerWaalsContact C-N 3.3Å; H154-S156 PolarHBondContact O-N 3.25Å; H154-S156 VanDerWaalsContact O-N 3.07Å; S156-D158 PolarHBondContact O-N 2.96Å | ||
| 157 | P | 29.8 | Very low | 23.4 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -90.3 | 99.4 | -174 | 32.6 | -21.7 | 0 | 0 | 0 | 107.4 | T155 | T155-P157 VanDerWaalsContact O-CD 3.26Å; T155-P157 WeakPolarHBondContact O-CD 3.5Å | ||
| 158 | D | 23.8 | Very low | 23.4 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -163.5 | 142.1 | 158.2 | -89.4 | -34.9 | 0 | 0 | 0 | 107.9 | S156 | S156-D158 PolarHBondContact O-N 2.96Š| ||
| 159 | F | 25 | Very low | 23.4 | Very low | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 88.2 | 57.4 | 179.9 | -57.4 | -82.2 | 0 | 0 | 0 | 118 | ||||
| 160 | L | 22.8 | Very low | 23.4 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -126 | 65.6 | 144 | -76.1 | 176.8 | 0 | 0 | 0 | 109.9 | T162 | L160-T162 PolarHBondContact O-N 3.09Š| ||
| 161 | Q | 24.8 | Very low | 23.2 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 99.8 | 158.5 | -84.3 | -174 | -6.1 | 0 | 0 | 108.6 | H163 | Q161-H163 PolarHBondContact O-N 3.38Š| ||
| 162 | T | 23.2 | Very low | 23.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -57.2 | 98.6 | 168.2 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | L160 | L160-T162 PolarHBondContact O-N 3.09Š| ||
| 163 | H | 23.9 | Very low | 23.3 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | trans | -104 | 98.9 | 163.1 | -81.5 | -73.4 | 0 | 0 | 0 | 109.7 | Q161 G165 | Q161-H163 PolarHBondContact O-N 3.38Å; H163-G165 PolarHBondContact O-N 2.74Å | ||
| 164 | K | 21.6 | Very low | 23.2 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 96% | 0.957 | 79% | 0.792 | S | S | * | * | trans | -57.1 | 101.3 | 160.4 | -76.4 | 176.9 | 173.1 | 177.6 | 0 | 108.3 | ||||
| 165 | G | 23.4 | Very low | 23.2 | Very low | 65 Ų | 65 | 141.3 Ų | 141.3 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -112.3 | 108.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H163 | H163-G165 PolarHBondContact O-N 2.74Š| ||
| 166 | S | 21.9 | Very low | 23.2 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -54.3 | 131.5 | -180 | -161.8 | 0 | 0 | 0 | 0 | 113 | N168 | S166-N168 PolarHBondContact O-N 3.3Š| ||
| 167 | F | 21.7 | Very low | 23.3 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 106.5 | 172.5 | -78 | -94.6 | 0 | 0 | 0 | 110.8 | ||||
| 168 | N | 22.9 | Very low | 23.3 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -114.6 | 97.9 | 164.1 | -83.2 | -13 | 0 | 0 | 0 | 108.7 | S166 S170 | S166-N168 PolarHBondContact O-N 3.3Å; N168-S170 PolarHBondContact O-N 3.38Å | ||
| 169 | L | 22.7 | Very low | 23.2 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -80.8 | 94.4 | 169.7 | -118.5 | 88.4 | 0 | 0 | 0 | 108.5 | ||||
| 170 | S | 22.2 | Very low | 23.2 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -90.9 | 109.1 | 164.4 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | N168 | N168-S170 PolarHBondContact O-N 3.38Š| ||
| 171 | T | 21 | Very low | 23.3 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 129.4 | 162.8 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 172 | T | 24.3 | Very low | 23.3 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -178.6 | 119.1 | 134.2 | 36.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 173 | Q | 22 | Very low | 23.3 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | 56.2 | 127.3 | 131.4 | -61.9 | -179.2 | -6.6 | 0 | 0 | 121.4 | ||||
| 174 | G | 22.2 | Very low | 23.4 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 132.5 | 93.1 | 130.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 175 | N | 22.9 | Very low | 23.5 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 64.7 | 121.2 | 133.4 | -79.8 | -4.2 | 0 | 0 | 0 | 123.3 | ||||
| 176 | T | 22.7 | Very low | 23.5 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | trans | 83 | 114.9 | 130.2 | 58.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 177 | N | 24.6 | Very low | 23.5 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 66.4 | 101.1 | 135.6 | -53.4 | -11 | 0 | 0 | 0 | 117.1 | ||||
| 178 | N | 28.9 | Very low | 23.6 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | -165.3 | 137 | 123.7 | -91.4 | -26.5 | 0 | 0 | 0 | 110.8 | |||||
| 179 | L | 22.5 | Very low | 23.6 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | trans | -65.9 | 146 | 177.2 | -75.5 | 155.1 | 0 | 0 | 0 | 111.5 | ||||
| 180 | D | 24.5 | Very low | 23.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 74.2 | 137.1 | 152 | -61.3 | -29.4 | 0 | 0 | 0 | 120.8 | ||||
| 181 | F | 24.7 | Very low | 24 | Very low | 195 Ų | 195 | 141 Ų | 141 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 82.5 | 74.6 | 175.1 | -62.7 | -82 | 0 | 0 | 0 | 117.1 | ||||
| 182 | N | 25 | Very low | 24.2 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -151.4 | 50 | 142.1 | -89.2 | -27 | 0 | 0 | 0 | 110.8 | ||||
| 183 | H | 24.6 | Very low | 24.5 | Very low | 189 Ų | 189 | 144.1 Ų | 144.1 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 123.3 | 151.7 | -98.8 | -73 | 0 | 0 | 0 | 106.6 | ||||
| 184 | L | 25.5 | Very low | 25 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 105.5 | 50.2 | 174.4 | -55.4 | 159 | 0 | 0 | 0 | 116.9 | ||
| 185 | T | 22.7 | Very low | 25.9 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -150.1 | 61.1 | 149.8 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 186 | S | 24.1 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -108.1 | 86.3 | 158.3 | 69.4 | 0 | 0 | 0 | 0 | 108.3 | C188 | S186-C188 PolarHBondContact O-N 3.28Š| ||
| 187 | S | 22.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -53 | 115.8 | 167.6 | 33.7 | 0 | 0 | 0 | 0 | 109.6 | S189 | S187-S189 PolarHBondContact O-N 2.97Š| ||
| 188 | C | 22.7 | Very low | 31.1 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 90% | 0.899 | 70% | 0.704 | S | S | * | * | trans | -58.3 | 98.4 | -178.5 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | S186 | S186-C188 PolarHBondContact O-N 3.28Š| ||
| 189 | S | 22.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | trans | -78.8 | 136 | 161.8 | 2.3 | 0 | 0 | 0 | 0 | 108.5 | S187 N191 | S187-S189 PolarHBondContact O-N 2.97Å; S189-N191 PolarHBondContact O-N 2.97Å | ||
| 190 | F | 25.5 | Very low | 35.8 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 28.2 | -161.9 | -144.9 | -97.7 | 0 | 0 | 0 | 117.4 | ||
| 191 | N | 27.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 7.9 | -170.9 | -78 | -10.6 | 0 | 0 | 0 | 116.6 | S189 V193 | S189-N191 PolarHBondContact O-N 2.97Å; N191-V193 PolarHBondContact O-N 2.81Å |
| 192 | Q | 25.1 | Very low | 40.9 | Very low | 187 Ų | 187 | 113.3 Ų | 113.3 | 87% | 0.874 | 61% | 0.614 | S | S | * | * | trans | -99 | 66.3 | 166.6 | -80.9 | -179.6 | -10.6 | 0 | 0 | 110.7 | C194 | Q192-C194 PolarHBondContact O-N 3.43Å; Q192-C194 VanDerWaalsContact O-N 3.13Å | ||
| 193 | V | 31.5 | Very low | 43.3 | Very low | 123 Ų | 123 | 108.2 Ų | 108.2 | 75% | 0.745 | 59% | 0.588 | S | S | * | * | trans | -55.4 | 117.6 | 156.6 | 176.8 | 0 | 0 | 0 | 0 | 106.2 | N191 R195 | N191-V193 PolarHBondContact O-N 2.81Å; V193-R195 PolarHBondContact O-N 3.44Å | ||
| 194 | C | 33.5 | Very low | 46 | Very low | 88 Ų | 88 | 100.8 Ų | 100.8 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | trans | -50.7 | 100.3 | 179.4 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | Q192 N196 | Q192-C194 PolarHBondContact O-N 3.43Å; Q192-C194 VanDerWaalsContact O-N 3.13Å; C194-N196 VanDerWaalsContact C-N 3.28Å; C194-N196 PolarHBondContact O-N 3.39Å | ||
| 195 | R | 39.9 | Very low | 48.5 | Very low | 116 Ų | 116 | 99.3 Ų | 99.3 | 44% | 0.438 | 55% | 0.554 | S | S | . | * | trans | -71.6 | 81.6 | 178.3 | -71.8 | 175.8 | 171.7 | -154.7 | -4.4 | 108.9 | V193 Y197 D464 | V193-R195 PolarHBondContact O-N 3.44Å; R195-Y197 HydrophobicContact CB-CD2 4.39Å; R195-Y197 HydrophobicContact CB-CE1 4.39Å; R195-Y197 HydrophobicContact CB-CE2 3.98Å; R195-Y197 WeakPolarHBondContact CD-OH 3.37Å; R195-Y197 PolarHBondContact NH1-OH 2.91Å; R195-Y197 VanDerWaalsContact NH1-OH 3.15Å; R195-Y197 PolarHBondContact O-N 2.57Å; R195-D464 PolarHBondContact NH2-O 3.11Å | ||
| 196 | N | 51.5 | Low | 51.2 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | trans | -78.6 | 72.3 | 176.8 | -66.9 | -16.8 | 0 | 0 | 0 | 110 | C194 | C194-N196 VanDerWaalsContact C-N 3.28Å; C194-N196 PolarHBondContact O-N 3.39Å | ||
| 197 | Y | 61.8 | Low | 54 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 24% | 0.239 | 51% | 0.511 | C | S | . | . | trans | -67.6 | 136.6 | 169.9 | -53.2 | -58.3 | 0 | 0 | 0 | 109.8 | R195 L427 L465 | R195-Y197 HydrophobicContact CB-CD2 4.39Å; R195-Y197 HydrophobicContact CB-CE1 4.39Å; R195-Y197 HydrophobicContact CB-CE2 3.98Å; R195-Y197 WeakPolarHBondContact CD-OH 3.37Å; R195-Y197 PolarHBondContact NH1-OH 2.91Å; R195-Y197 VanDerWaalsContact NH1-OH 3.15Å; R195-Y197 PolarHBondContact O-N 2.57Å; Y197-L427 HydrophobicContact CD1-CB 4.45Å; Y197-L427 HydrophobicContact CD1-CD2 3.98Å; Y197-L427 VanDerWaalsContact CD1-O 3.26Å; Y197-L427 WeakPolarHBondContact CD1-O 3.48Å; Y197-L427 HydrophobicContact CE1-CD2 4.15Å; Y197-L465 PolarHBondContact OH-O 3.12Å | ||
| 198 | L | 65.8 | Low | 56.6 | Low | 27 Ų | 27 | 97.2 Ų | 97.2 | 14% | 0.141 | 51% | 0.514 | C | S | . | . | trans | -103.3 | 83.2 | 163.7 | -164.4 | 137 | 0 | 0 | 0 | 108.4 | F201 I289 H292 S426 | L198-F201 HydrophobicContact CD2-CD1 3.74Å; L198-F201 HydrophobicContact CD2-CD2 4.45Å; L198-F201 HydrophobicContact CD2-CE1 3.55Å; L198-F201 HydrophobicContact CD2-CE2 4.33Å; L198-F201 HydrophobicContact CD2-CG 4.2Å; L198-F201 HydrophobicContact CD2-CZ 3.9Å; L198-I289 HydrophobicContact CD2-CG1 4.27Å; L198-H292 HydrophobicContact CD1-CB 3.95Å; L198-S426 PolarHBondContact N-O 3.39Å | ||
| 199 | L | 71.9 | Confident | 59.5 | Low | 50 Ų | 50 | 95.8 Ų | 95.8 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | trans | -84.5 | -27.3 | 179.9 | -65.8 | 178.3 | 0 | 0 | 0 | 113.1 | M359 L360 L427 | L199-M359 PolarHBondContact O-N 3.14Å; L199-L360 HydrophobicContact CD1-CD1 4.39Å; L199-L360 HydrophobicContact CD2-CD1 3.49Å; L199-L360 VanDerWaalsContact CD2-CD1 3.49Å; L199-L360 HydrophobicContact CD2-CG 3.86Å; L199-L427 HydrophobicContact CD2-CD2 4.38Å | ||
| 200 | Y | 78.1 | Confident | 62.5 | Low | 143 Ų | 143 | 92.7 Ų | 92.7 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -133 | 139.7 | -179.1 | -62.4 | -84.1 | 0 | 0 | 0 | 109.9 | ||
| 201 | F | 81.4 | Confident | 65.2 | Low | 21 Ų | 21 | 87.6 Ų | 87.6 | 9% | 0.092 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 154.1 | 170.5 | -74.3 | -77 | 0 | 0 | 0 | 111.6 | L198 E247 L250 L285 R288 I289 H292 M359 | L198-F201 HydrophobicContact CD2-CD1 3.74Å; L198-F201 HydrophobicContact CD2-CD2 4.45Å; L198-F201 HydrophobicContact CD2-CE1 3.55Å; L198-F201 HydrophobicContact CD2-CE2 4.33Å; L198-F201 HydrophobicContact CD2-CG 4.2Å; L198-F201 HydrophobicContact CD2-CZ 3.9Å; F201-E247 HydrophobicContact CB-CB 3.45Å; F201-E247 VanDerWaalsContact CB-CB 3.45Å; F201-E247 HydrophobicContact CB-CG 3.86Å; F201-E247 HydrophobicContact CD1-CB 4.01Å; F201-E247 HydrophobicContact CD1-CG 4.4Å; F201-E247 HydrophobicContact CD2-CB 3.4Å; F201-E247 HydrophobicContact CE2-CB 4.03Å; F201-E247 HydrophobicContact CG-CB 3.36Å; F201-E247 HydrophobicContact CG-CG 4.06Å; F201-L250 HydrophobicContact CD2-CD1 3.93Å; F201-L250 HydrophobicContact CE2-CD1 3.91Å; F201-L285 HydrophobicContact CE2-CD2 3.91Å; F201-L285 HydrophobicContact CZ-CD2 4.43Å; F201-R288 HydrophobicContact CE1-CB 3.85Å; F201-R288 HydrophobicContact CZ-CB 3.99Å; F201-I289 HydrophobicContact CE1-CG1 4.24Å; F201-I289 HydrophobicContact CZ-CG1 3.73Å; F201-H292 AromaticContact CD1-CD2 3.52Å; F201-H292 AromaticContact CD1-NE2 3.85Å; F201-H292 AromaticContact CE1-CD2 3.7Å; F201-M359 HydrophobicContact CD2-CE 4.23Å; F201-M359 HydrophobicContact CE2-CE 3.36Å; F201-M359 HydrophobicContact CZ-CE 4.01Å |
| 202 | P | 75.2 | Confident | 67.9 | Low | 73 Ų | 73 | 82 Ų | 82 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -57 | 140 | 170.1 | -22.6 | 34.1 | 0 | 0 | 0 | 112.2 | V204 Q251 | P202-V204 PolarHBondContact O-N 2.84Å; P202-Q251 PolarHBondContact O-NE2 2.93Å |
| 203 | T | 76.7 | Confident | 70.8 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 27% | 0.27 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 130.8 | -179.1 | -46.3 | 0 | 0 | 0 | 0 | 111.9 | Y349 V352 | T203-Y349 HydrophobicContact CG2-CD2 4.33Å; T203-Y349 HydrophobicContact CG2-CE2 3.81Å; T203-Y349 PolarHBondContact OG1-OH 3.43Å; T203-V352 HydrophobicContact CG2-CG1 4.33Å |
| 204 | V | 80.3 | Confident | 73.5 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 125.1 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | P202 L206 P245 E247 L248 | P202-V204 PolarHBondContact O-N 2.84Å; V204-L206 HydrophobicContact CG1-CD2 4.24Å; V204-P245 HydrophobicContact CG1-CG 3.88Å; V204-P245 HydrophobicContact CG2-CG 4Å; V204-E247 HydrophobicContact CG2-CG 3.87Å; V204-L248 HydrophobicContact CB-CD1 3.95Å; V204-L248 HydrophobicContact CG1-CD1 4.04Å |
| 205 | V | 78 | Confident | 76.1 | Confident | 135 Ų | 135 | 67.9 Ų | 67.9 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -88.2 | 133 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 206 | L | 79.4 | Confident | 78.4 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | trans | -110.8 | 150.5 | 179.8 | -68.1 | -164.1 | 0 | 0 | 0 | 112.9 | V204 D210 I211 L214 F244 L248 R252 | V204-L206 HydrophobicContact CG1-CD2 4.24Å; L206-D210 HydrophobicContact CB-CB 4.16Å; L206-D210 HydrophobicContact CD1-CB 4.13Å; L206-D210 HydrophobicContact CD2-CB 4.23Å; L206-D210 HydrophobicContact CG-CB 4.44Å; L206-I211 HydrophobicContact CB-CG1 4.25Å; L206-I211 HydrophobicContact CD1-CG1 4.35Å; L206-L214 HydrophobicContact CD1-CD1 3.32Å; L206-F244 HydrophobicContact CD2-CD1 4.37Å; L206-F244 HydrophobicContact CD2-CE1 4.37Å; L206-L248 HydrophobicContact CD1-CD1 4.02Å; L206-L248 HydrophobicContact CD1-CD2 4.17Å; L206-L248 HydrophobicContact CD2-CD1 3.78Å; L206-L248 HydrophobicContact CD2-CD2 3.98Å; L206-L248 HydrophobicContact CG-CD1 3.9Å; L206-R252 VanDerWaalsContact CG-NH2 3.29Å | ||
| 207 | T | 82.5 | Confident | 80.2 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -82.1 | 164.4 | 169.1 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | T209 D210 I211 | T207-T209 VanDerWaalsContact C-N 3.27Å; T207-T209 PolarHBondContact O-N 3.35Å; T207-T209 PolarHBondContact OG1-OG1 3.28Å; T207-D210 WeakPolarHBondContact CB-OD2 3.34Å; T207-D210 PolarHBondContact N-OD2 3.38Å; T207-D210 PolarHBondContact O-N 2.89Å; T207-D210 PolarHBondContact OG1-N 2.85Å; T207-D210 PolarHBondContact OG1-OD1 3.49Å; T207-D210 PolarHBondContact OG1-OD2 2.91Å; T207-I211 WeakPolarHBondContact O-CG1 3.5Å; T207-I211 PolarHBondContact O-N 2.93Å | ||
| 208 | K | 78.6 | Confident | 81.6 | Confident | 193 Ų | 193 | 60.6 Ų | 60.6 | 84% | 0.839 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.3 | -35.6 | 178.1 | -72.7 | -175.7 | 179.4 | 178 | 0 | 112.7 | I211 G212 | K208-I211 PolarHBondContact O-N 2.81Å; K208-G212 PolarHBondContact O-N 2.8Å |
| 209 | T | 83.2 | Confident | 82.8 | Confident | 103 Ų | 103 | 67 Ų | 67 | 63% | 0.632 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 177.8 | 42 | 0 | 0 | 0 | 0 | 111.4 | T207 I211 G212 V213 | T207-T209 VanDerWaalsContact C-N 3.27Å; T207-T209 PolarHBondContact O-N 3.35Å; T207-T209 PolarHBondContact OG1-OG1 3.28Å; T209-I211 VanDerWaalsContact C-N 3.32Å; T209-I211 PolarHBondContact O-N 3.23Å; T209-G212 PolarHBondContact O-N 2.9Å; T209-G212 VanDerWaalsContact O-N 3.08Å; T209-V213 PolarHBondContact O-N 3.46Å; T209-V213 VanDerWaalsContact O-N 3.13Å |
| 210 | D | 85 | Confident | 83.7 | Confident | 40 Ų | 40 | 66.1 Ų | 66.1 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 178.5 | -54.7 | -26.7 | 0 | 0 | 0 | 111.3 | L206 T207 G212 V213 L214 F244 | L206-D210 HydrophobicContact CB-CB 4.16Å; L206-D210 HydrophobicContact CD1-CB 4.13Å; L206-D210 HydrophobicContact CD2-CB 4.23Å; L206-D210 HydrophobicContact CG-CB 4.44Å; T207-D210 WeakPolarHBondContact CB-OD2 3.34Å; T207-D210 PolarHBondContact N-OD2 3.38Å; T207-D210 PolarHBondContact O-N 2.89Å; T207-D210 PolarHBondContact OG1-N 2.85Å; T207-D210 PolarHBondContact OG1-OD1 3.49Å; T207-D210 PolarHBondContact OG1-OD2 2.91Å; D210-G212 VanDerWaalsContact C-N 3.27Å; D210-G212 PolarHBondContact O-N 3.28Å; D210-V213 PolarHBondContact O-N 3.25Å; D210-L214 VanDerWaalsContact O-CG 3.31Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.36Å; D210-F244 HydrophobicContact CB-CE1 3.72Å; D210-F244 HydrophobicContact CB-CZ 3.98Å |
| 211 | I | 83.1 | Confident | 84.3 | Confident | 62 Ų | 62 | 59.4 Ų | 59.4 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.1 | -63.1 | 168.3 | 0 | 0 | 0 | 110.5 | L206 T207 K208 T209 C215 | L206-I211 HydrophobicContact CB-CG1 4.25Å; L206-I211 HydrophobicContact CD1-CG1 4.35Å; T207-I211 WeakPolarHBondContact O-CG1 3.5Å; T207-I211 PolarHBondContact O-N 2.93Å; K208-I211 PolarHBondContact O-N 2.81Å; T209-I211 VanDerWaalsContact C-N 3.32Å; T209-I211 PolarHBondContact O-N 3.23Å; I211-C215 VanDerWaalsContact O-CB 3.27Å; I211-C215 WeakPolarHBondContact O-CB 3.26Å; I211-C215 PolarHBondContact O-N 3.15Å; I211-C215 PolarHBondContact O-SG 2.97Å |
| 212 | G | 84.4 | Confident | 84.6 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K208 T209 D210 C215 T216 | K208-G212 PolarHBondContact O-N 2.8Å; T209-G212 PolarHBondContact O-N 2.9Å; T209-G212 VanDerWaalsContact O-N 3.08Å; D210-G212 VanDerWaalsContact C-N 3.27Å; D210-G212 PolarHBondContact O-N 3.28Å; G212-C215 PolarHBondContact O-N 2.94Å; G212-T216 VanDerWaalsContact O-CG2 3.26Å; G212-T216 WeakPolarHBondContact O-CG2 3.22Å; G212-T216 PolarHBondContact O-N 2.89Å; G212-T216 PolarHBondContact O-OG1 3.09Å |
| 213 | V | 85.8 | Confident | 85.3 | Confident | 58 Ų | 58 | 59 Ų | 59 | 35% | 0.352 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | T209 D210 C215 T216 T217 | T209-V213 PolarHBondContact O-N 3.46Å; T209-V213 VanDerWaalsContact O-N 3.13Å; D210-V213 PolarHBondContact O-N 3.25Å; V213-C215 PolarHBondContact O-N 3.12Å; V213-T216 PolarHBondContact O-N 3.47Å; V213-T216 PolarHBondContact O-OG1 3.25Å; V213-T217 PolarHBondContact O-N 2.86Å; V213-T217 PolarHBondContact O-OG1 3.43Å |
| 214 | L | 87.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 178.6 | -67.3 | 172.8 | 0 | 0 | 0 | 111.8 | L206 D210 T216 T217 L218 V240 F244 L248 F249 F255 | L206-L214 HydrophobicContact CD1-CD1 3.32Å; D210-L214 VanDerWaalsContact O-CG 3.31Å; D210-L214 WeakPolarHBondContact O-CG 3.39Å; D210-L214 PolarHBondContact O-N 3.36Å; L214-T216 VanDerWaalsContact C-N 3.32Å; L214-T216 PolarHBondContact O-N 3.01Å; L214-T217 PolarHBondContact O-N 3.49Å; L214-L218 WeakPolarHBondContact O-CB 3.18Å; L214-L218 PolarHBondContact O-N 2.92Å; L214-V240 HydrophobicContact CD2-CG1 3.89Å; L214-F244 HydrophobicContact CD2-CD2 4.48Å; L214-F244 HydrophobicContact CD2-CE2 4.47Å; L214-L248 HydrophobicContact CD1-CD2 3.89Å; L214-F249 HydrophobicContact CD2-CE1 3.9Å; L214-F249 HydrophobicContact CD2-CZ 4.33Å; L214-F255 HydrophobicContact CB-CE2 4.16Å; L214-F255 HydrophobicContact CB-CZ 3.99Å; L214-F255 HydrophobicContact CD2-CE2 4.17Å; L214-F255 HydrophobicContact CD2-CZ 3.92Å; L214-F255 WeakPolarHBondContact O-CZ 3.38Å |
| 215 | C | 87.4 | Confident | 86.1 | Confident | 40 Ų | 40 | 71 Ų | 71 | 27% | 0.27 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.5 | -77.4 | 0 | 0 | 0 | 0 | 112.4 | I211 G212 V213 K219 | I211-C215 VanDerWaalsContact O-CB 3.27Å; I211-C215 WeakPolarHBondContact O-CB 3.26Å; I211-C215 PolarHBondContact O-N 3.15Å; I211-C215 PolarHBondContact O-SG 2.97Å; G212-C215 PolarHBondContact O-N 2.94Å; V213-C215 PolarHBondContact O-N 3.12Å; C215-K219 VanDerWaalsContact O-CG 3.32Å; C215-K219 WeakPolarHBondContact O-CG 3.03Å; C215-K219 PolarHBondContact O-N 3.41Å; C215-K219 VanDerWaalsContact O-N 3.09Å |
| 216 | T | 89.2 | Confident | 86.6 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 112 | G212 V213 L214 K219 S220 | G212-T216 VanDerWaalsContact O-CG2 3.26Å; G212-T216 WeakPolarHBondContact O-CG2 3.22Å; G212-T216 PolarHBondContact O-N 2.89Å; G212-T216 PolarHBondContact O-OG1 3.09Å; V213-T216 PolarHBondContact O-N 3.47Å; V213-T216 PolarHBondContact O-OG1 3.25Å; L214-T216 VanDerWaalsContact C-N 3.32Å; L214-T216 PolarHBondContact O-N 3.01Å; T216-K219 PolarHBondContact O-N 3.14Å; T216-S220 PolarHBondContact O-N 2.65Å; T216-S220 VanDerWaalsContact O-N 3.09Å |
| 217 | T | 89.3 | Confident | 87 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 177.3 | -53.8 | 0 | 0 | 0 | 0 | 111 | V213 L214 K219 S220 I221 F235 L236 V240 F255 | V213-T217 PolarHBondContact O-N 2.86Å; V213-T217 PolarHBondContact O-OG1 3.43Å; L214-T217 PolarHBondContact O-N 3.49Å; T217-K219 VanDerWaalsContact C-N 3.33Å; T217-K219 PolarHBondContact O-N 3.39Å; T217-S220 WeakPolarHBondContact O-CB 3.4Å; T217-S220 PolarHBondContact O-N 3.2Å; T217-I221 HydrophobicContact CG2-CD1 4.12Å; T217-I221 WeakPolarHBondContact O-CG1 3.38Å; T217-I221 PolarHBondContact O-N 3.48Å; T217-F235 HydrophobicContact CG2-CD1 3.93Å; T217-F235 WeakPolarHBondContact OG1-CE1 3.38Å; T217-L236 HydrophobicContact CG2-CB 4.18Å; T217-V240 HydrophobicContact CG2-CG2 4.26Å; T217-F255 HydrophobicContact CG2-CE1 4.16Å |
| 218 | L | 90.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.6 | -173.4 | 67.3 | 0 | 0 | 0 | 111.5 | L214 S220 I221 C222 D254 F255 | L214-L218 WeakPolarHBondContact O-CB 3.18Å; L214-L218 PolarHBondContact O-N 2.92Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 2.92Å; L218-I221 PolarHBondContact O-N 3.2Å; L218-C222 WeakPolarHBondContact O-CB 3.14Å; L218-C222 PolarHBondContact O-N 2.9Å; L218-C222 PolarHBondContact O-SG 3.18Å; L218-D254 HydrophobicContact CD1-CB 4.21Å; L218-D254 HydrophobicContact CD2-CB 3.83Å; L218-F255 HydrophobicContact CB-CE1 4.01Å; L218-F255 HydrophobicContact CB-CE2 4.45Å; L218-F255 HydrophobicContact CB-CZ 3.9Å; L218-F255 HydrophobicContact CD1-CD1 3.97Å; L218-F255 HydrophobicContact CD1-CD2 4.36Å; L218-F255 HydrophobicContact CD1-CE1 4.15Å; L218-F255 HydrophobicContact CD1-CG 4.09Å; L218-F255 HydrophobicContact CD1-CZ 4.44Å |
| 219 | K | 90.8 | Very high | 88 | Confident | 162 Ų | 162 | 62.1 Ų | 62.1 | 70% | 0.704 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.9 | -37.7 | 174.3 | -76 | 175.8 | -178.5 | -178.4 | 0 | 112.6 | C215 T216 T217 S223 | C215-K219 VanDerWaalsContact O-CG 3.32Å; C215-K219 WeakPolarHBondContact O-CG 3.03Å; C215-K219 PolarHBondContact O-N 3.41Å; C215-K219 VanDerWaalsContact O-N 3.09Å; T216-K219 PolarHBondContact O-N 3.14Å; T217-K219 VanDerWaalsContact C-N 3.33Å; T217-K219 PolarHBondContact O-N 3.39Å; K219-S223 PolarHBondContact O-N 3.02Å |
| 220 | S | 91.4 | Very high | 88.3 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176 | -164.5 | 0 | 0 | 0 | 0 | 111.6 | T216 T217 L218 C222 S223 I228 C229 G232 | T216-S220 PolarHBondContact O-N 2.65Å; T216-S220 VanDerWaalsContact O-N 3.09Å; T217-S220 WeakPolarHBondContact O-CB 3.4Å; T217-S220 PolarHBondContact O-N 3.2Å; L218-S220 VanDerWaalsContact C-N 3.28Å; L218-S220 PolarHBondContact O-N 2.92Å; S220-C222 VanDerWaalsContact C-N 3.31Å; S220-C222 PolarHBondContact O-N 2.72Å; S220-S223 VanDerWaalsContact O-CB 3.22Å; S220-S223 WeakPolarHBondContact O-CB 3.37Å; S220-S223 PolarHBondContact O-N 3.32Å; S220-I228 PolarHBondContact OG-O 3.24Å; S220-I228 VanDerWaalsContact OG-O 3.06Å; S220-C229 WeakPolarHBondContact O-CA 3.27Å; S220-G232 VanDerWaalsContact OG-CA 3.32Å; S220-G232 WeakPolarHBondContact OG-CA 3.38Å |
| 221 | I | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 177.6 | -65.7 | 167.5 | 0 | 0 | 0 | 110.8 | T217 L218 S223 C229 I233 L236 F255 L259 I262 | T217-I221 HydrophobicContact CG2-CD1 4.12Å; T217-I221 WeakPolarHBondContact O-CG1 3.38Å; T217-I221 PolarHBondContact O-N 3.48Å; L218-I221 PolarHBondContact O-N 3.2Å; I221-S223 PolarHBondContact O-N 3.08Å; I221-C229 PolarHBondContact O-SG 3.47Å; I221-I233 HydrophobicContact CG1-CG1 4.26Å; I221-I233 HydrophobicContact CG2-CG1 4.32Å; I221-L236 HydrophobicContact CD1-CB 4.13Å; I221-L236 HydrophobicContact CD1-CD2 3.7Å; I221-L236 HydrophobicContact CD1-CG 4.46Å; I221-F255 HydrophobicContact CD1-CD1 3.96Å; I221-F255 HydrophobicContact CD1-CE1 4.11Å; I221-L259 HydrophobicContact CG2-CD2 4.49Å; I221-I262 HydrophobicContact CG2-CD1 3.63Å |
| 222 | C | 88.3 | Confident | 89 | Confident | 50 Ų | 50 | 56 Ų | 56 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 5.5 | 179 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | L218 S220 N258 | L218-C222 WeakPolarHBondContact O-CB 3.14Å; L218-C222 PolarHBondContact O-N 2.9Å; L218-C222 PolarHBondContact O-SG 3.18Å; S220-C222 VanDerWaalsContact C-N 3.31Å; S220-C222 PolarHBondContact O-N 2.72Å; C222-N258 PolarHBondContact SG-ND2 3.06Å; C222-N258 VanDerWaalsContact SG-ND2 3.44Å; C222-N258 PolarHBondContact SG-OD1 2.91Å |
| 223 | S | 88.7 | Confident | 89.4 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | trans | -63.4 | 141 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 111 | K219 S220 I221 E225 | K219-S223 PolarHBondContact O-N 3.02Å; S220-S223 VanDerWaalsContact O-CB 3.22Å; S220-S223 WeakPolarHBondContact O-CB 3.37Å; S220-S223 PolarHBondContact O-N 3.32Å; I221-S223 PolarHBondContact O-N 3.08Å; S223-E225 PolarHBondContact O-N 3.14Å; S223-E225 PolarHBondContact OG-N 3.37Å | ||
| 224 | K | 85.7 | Confident | 89.7 | Confident | 212 Ų | 212 | 57.5 Ų | 57.5 | 92% | 0.922 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -73 | -17 | 173.2 | -65.1 | -175.9 | 179.3 | -179.4 | 0 | 112.5 | ||
| 225 | E | 89.7 | Confident | 89.9 | Confident | 116 Ų | 116 | 61.5 Ų | 61.5 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -84.1 | 121.2 | 177.2 | -68.6 | -174.3 | -169.4 | 0 | 0 | 110.2 | S223 N227 I228 C229 | S223-E225 PolarHBondContact O-N 3.14Å; S223-E225 PolarHBondContact OG-N 3.37Å; E225-N227 VanDerWaalsContact C-N 3.29Å; E225-N227 PolarHBondContact O-N 3.47Å; E225-I228 HydrophobicContact CB-CB 4.22Å; E225-I228 HydrophobicContact CB-CD1 4.03Å; E225-I228 HydrophobicContact CB-CG1 4.05Å; E225-I228 HydrophobicContact CG-CD1 4.42Å; E225-I228 PolarHBondContact O-N 2.67Å; E225-I228 VanDerWaalsContact O-N 3.15Å; E225-I228 WeakPolarHBondContact OE2-CD1 3.49Å; E225-C229 PolarHBondContact O-N 3.42Å |
| 226 | P | 86.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | -172.9 | 23.7 | -34.2 | 0 | 0 | 0 | 112.3 | I228 C229 I230 I270 | P226-I228 PolarHBondContact O-N 2.81Å; P226-C229 WeakPolarHBondContact O-CB 3.46Å; P226-C229 PolarHBondContact O-N 3.41Å; P226-I230 WeakPolarHBondContact O-CB 3.31Å; P226-I230 WeakPolarHBondContact O-CD1 3.31Å; P226-I230 VanDerWaalsContact O-CG1 3.23Å; P226-I230 WeakPolarHBondContact O-CG1 3.43Å; P226-I230 PolarHBondContact O-N 2.99Å; P226-I270 HydrophobicContact CB-CD1 3.93Å |
| 227 | N | 89.1 | Confident | 90.2 | Very high | 116 Ų | 116 | 58 Ų | 58 | 62% | 0.62 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.4 | -38.8 | 179.9 | -66.3 | -18.1 | 0 | 0 | 0 | 112.6 | E225 S231 | E225-N227 VanDerWaalsContact C-N 3.29Å; E225-N227 PolarHBondContact O-N 3.47Å; N227-S231 VanDerWaalsContact O-CB 3.31Å; N227-S231 WeakPolarHBondContact O-CB 3.38Å; N227-S231 PolarHBondContact O-N 3.26Å; N227-S231 PolarHBondContact O-OG 3.46Å |
| 228 | I | 91.1 | Very high | 90.2 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 176.5 | -61 | -178.4 | 0 | 0 | 0 | 110 | S220 E225 P226 S231 G232 | S220-I228 PolarHBondContact OG-O 3.24Å; S220-I228 VanDerWaalsContact OG-O 3.06Å; E225-I228 HydrophobicContact CB-CB 4.22Å; E225-I228 HydrophobicContact CB-CD1 4.03Å; E225-I228 HydrophobicContact CB-CG1 4.05Å; E225-I228 HydrophobicContact CG-CD1 4.42Å; E225-I228 PolarHBondContact O-N 2.67Å; E225-I228 VanDerWaalsContact O-N 3.15Å; E225-I228 WeakPolarHBondContact OE2-CD1 3.49Å; P226-I228 PolarHBondContact O-N 2.81Å; I228-S231 PolarHBondContact O-N 3.39Å; I228-G232 PolarHBondContact O-N 3.03Å |
| 229 | C | 90.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.034 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.3 | -52.1 | 174.6 | -179 | 0 | 0 | 0 | 0 | 111.3 | S220 I221 E225 P226 S231 G232 I233 | S220-C229 WeakPolarHBondContact O-CA 3.27Å; I221-C229 PolarHBondContact O-SG 3.47Å; E225-C229 PolarHBondContact O-N 3.42Å; P226-C229 WeakPolarHBondContact O-CB 3.46Å; P226-C229 PolarHBondContact O-N 3.41Å; C229-S231 VanDerWaalsContact C-N 3.33Å; C229-S231 PolarHBondContact O-N 3.21Å; C229-G232 WeakPolarHBondContact O-CA 3.41Å; C229-G232 PolarHBondContact O-N 3.17Å; C229-G232 VanDerWaalsContact O-N 3.11Å; C229-I233 WeakPolarHBondContact O-CG1 3.34Å; C229-I233 PolarHBondContact O-N 3.27Å |
| 230 | I | 90.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 176.9 | -68.7 | 162.4 | 0 | 0 | 0 | 110.9 | P226 G232 I233 R234 E269 I270 | P226-I230 WeakPolarHBondContact O-CB 3.31Å; P226-I230 WeakPolarHBondContact O-CD1 3.31Å; P226-I230 VanDerWaalsContact O-CG1 3.23Å; P226-I230 WeakPolarHBondContact O-CG1 3.43Å; P226-I230 PolarHBondContact O-N 2.99Å; I230-G232 VanDerWaalsContact C-N 3.3Å; I230-G232 PolarHBondContact O-N 2.93Å; I230-I233 PolarHBondContact O-N 3.45Å; I230-R234 HydrophobicContact CG2-CG 4.48Å; I230-R234 WeakPolarHBondContact O-CB 3.09Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 3.34Å; I230-E269 HydrophobicContact CD1-CB 4.33Å; I230-E269 HydrophobicContact CD1-CG 3.75Å; I230-I270 HydrophobicContact CD1-CG1 4.14Å; I230-I270 HydrophobicContact CG1-CG1 3.96Å |
| 231 | S | 90.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | N227 I228 C229 R234 F235 | N227-S231 VanDerWaalsContact O-CB 3.31Å; N227-S231 WeakPolarHBondContact O-CB 3.38Å; N227-S231 PolarHBondContact O-N 3.26Å; N227-S231 PolarHBondContact O-OG 3.46Å; I228-S231 PolarHBondContact O-N 3.39Å; C229-S231 VanDerWaalsContact C-N 3.33Å; C229-S231 PolarHBondContact O-N 3.21Å; S231-R234 PolarHBondContact O-N 3.15Å; S231-F235 WeakPolarHBondContact O-CB 3.49Å; S231-F235 PolarHBondContact O-N 3.03Å |
| 232 | G | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S220 I228 C229 I230 F235 L236 | S220-G232 VanDerWaalsContact OG-CA 3.32Å; S220-G232 WeakPolarHBondContact OG-CA 3.38Å; I228-G232 PolarHBondContact O-N 3.03Å; C229-G232 WeakPolarHBondContact O-CA 3.41Å; C229-G232 PolarHBondContact O-N 3.17Å; C229-G232 VanDerWaalsContact O-N 3.11Å; I230-G232 VanDerWaalsContact C-N 3.3Å; I230-G232 PolarHBondContact O-N 2.93Å; G232-F235 PolarHBondContact O-N 3.2Å; G232-L236 PolarHBondContact O-N 3.06Å |
| 233 | I | 92.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.8 | -65.6 | 160.8 | 0 | 0 | 0 | 110.7 | I221 C229 I230 L236 H237 L259 I262 I270 S273 T274 C277 | I221-I233 HydrophobicContact CG1-CG1 4.26Å; I221-I233 HydrophobicContact CG2-CG1 4.32Å; C229-I233 WeakPolarHBondContact O-CG1 3.34Å; C229-I233 PolarHBondContact O-N 3.27Å; I230-I233 PolarHBondContact O-N 3.45Å; I233-L236 WeakPolarHBondContact O-CB 3.43Å; I233-L236 PolarHBondContact O-N 3.39Å; I233-H237 WeakPolarHBondContact O-CB 3.16Å; I233-H237 PolarHBondContact O-N 3Å; I233-L259 HydrophobicContact CG1-CD2 4.33Å; I233-I262 HydrophobicContact CD1-CD1 4.38Å; I233-I270 HydrophobicContact CD1-CG2 3.7Å; I233-S273 WeakPolarHBondContact CG2-O 3.4Å; I233-T274 WeakPolarHBondContact CD1-OG1 3.48Å; I233-C277 HydrophobicContact CG2-CB 3.88Å |
| 234 | R | 91.1 | Very high | 90 | Very high | 125 Ų | 125 | 64.9 Ų | 64.9 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.1 | -73 | -179.5 | -175.1 | 162.2 | 6.1 | 111.7 | I230 S231 L236 H237 D238 | I230-R234 HydrophobicContact CG2-CG 4.48Å; I230-R234 WeakPolarHBondContact O-CB 3.09Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 3.34Å; S231-R234 PolarHBondContact O-N 3.15Å; R234-L236 VanDerWaalsContact C-N 3.33Å; R234-L236 PolarHBondContact O-N 2.98Å; R234-H237 PolarHBondContact O-N 3.11Å; R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 2.85Å |
| 235 | F | 92.1 | Very high | 90.1 | Very high | 88 Ų | 88 | 56.6 Ų | 56.6 | 39% | 0.386 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174.8 | -174.6 | -104.7 | 0 | 0 | 0 | 112 | T217 S231 G232 V239 V240 | T217-F235 HydrophobicContact CG2-CD1 3.93Å; T217-F235 WeakPolarHBondContact OG1-CE1 3.38Å; S231-F235 WeakPolarHBondContact O-CB 3.49Å; S231-F235 PolarHBondContact O-N 3.03Å; G232-F235 PolarHBondContact O-N 3.2Å; F235-V239 HydrophobicContact CD2-CB 4.12Å; F235-V239 HydrophobicContact CD2-CG2 3.9Å; F235-V239 HydrophobicContact CE2-CB 3.92Å; F235-V239 HydrophobicContact CE2-CG1 3.95Å; F235-V239 HydrophobicContact CE2-CG2 3.9Å; F235-V239 HydrophobicContact CZ-CB 4.36Å; F235-V239 HydrophobicContact CZ-CG1 4.13Å; F235-V239 WeakPolarHBondContact O-CB 3.5Å; F235-V239 PolarHBondContact O-N 3.32Å; F235-V239 VanDerWaalsContact O-N 3.15Å; F235-V240 HydrophobicContact CD1-CG2 3.69Å; F235-V240 HydrophobicContact CE1-CG2 3.48Å; F235-V240 VanDerWaalsContact CE1-CG2 3.48Å; F235-V240 HydrophobicContact CZ-CG2 4.26Å; F235-V240 PolarHBondContact O-N 2.84Å; F235-V240 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -58.9 | -49.3 | 172.8 | 177.3 | 64.1 | 0 | 0 | 0 | 111.1 | T217 I221 G232 I233 R234 V240 L241 F249 F255 L259 | T217-L236 HydrophobicContact CG2-CB 4.18Å; I221-L236 HydrophobicContact CD1-CB 4.13Å; I221-L236 HydrophobicContact CD1-CD2 3.7Å; I221-L236 HydrophobicContact CD1-CG 4.46Å; G232-L236 PolarHBondContact O-N 3.06Å; I233-L236 WeakPolarHBondContact O-CB 3.43Å; I233-L236 PolarHBondContact O-N 3.39Å; R234-L236 VanDerWaalsContact C-N 3.33Å; R234-L236 PolarHBondContact O-N 2.98Å; L236-V240 HydrophobicContact CD1-CB 3.92Å; L236-V240 HydrophobicContact CD1-CG1 3.75Å; L236-V240 PolarHBondContact O-N 3.38Å; L236-L241 HydrophobicContact CD1-CG 4.44Å; L236-L241 HydrophobicContact CG-CG 4.46Å; L236-L241 WeakPolarHBondContact O-CB 3.29Å; L236-L241 WeakPolarHBondContact O-CG 3.42Å; L236-L241 PolarHBondContact O-N 3.13Å; L236-F249 HydrophobicContact CD1-CE1 4.01Å; L236-F249 HydrophobicContact CD1-CZ 4.33Å; L236-F255 HydrophobicContact CD1-CD1 4.24Å; L236-F255 HydrophobicContact CD1-CE1 4.29Å; L236-F255 HydrophobicContact CD2-CD1 4.17Å; L236-L259 HydrophobicContact CD2-CD1 4.02Å; L236-L259 HydrophobicContact CD2-CD2 4.44Å |
| 237 | H | 91.2 | Very high | 90.2 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -64.5 | -50.6 | -177.9 | 173.6 | -108.1 | 0 | 0 | 0 | 113.5 | I233 R234 C277 S280 | I233-H237 WeakPolarHBondContact O-CB 3.16Å; I233-H237 PolarHBondContact O-N 3Å; R234-H237 PolarHBondContact O-N 3.11Å; H237-C277 HydrophobicContact CB-CB 4.18Å; H237-S280 PolarHBondContact CD2-OG 3.11Å; H237-S280 PolarHBondContact NE2-OG 3.34Å |
| 238 | D | 89.1 | Confident | 90.2 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -86.9 | -26.3 | -166.5 | -67.8 | -35.2 | 0 | 0 | 0 | 113.5 | R234 K242 | R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 2.85Å; D238-K242 VanDerWaalsContact O-CD 3.3Å; D238-K242 WeakPolarHBondContact O-CD 3.49Å; D238-K242 VanDerWaalsContact O-CE 3.31Å; D238-K242 WeakPolarHBondContact O-CE 3.31Å; D238-K242 PolarHBondContact O-NZ 3.07Å |
| 239 | V | 90.8 | Very high | 90.2 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | I | π-helix | trans | -119.1 | -64.2 | -173.3 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | F235 L241 K242 D243 | F235-V239 HydrophobicContact CD2-CB 4.12Å; F235-V239 HydrophobicContact CD2-CG2 3.9Å; F235-V239 HydrophobicContact CE2-CB 3.92Å; F235-V239 HydrophobicContact CE2-CG1 3.95Å; F235-V239 HydrophobicContact CE2-CG2 3.9Å; F235-V239 HydrophobicContact CZ-CB 4.36Å; F235-V239 HydrophobicContact CZ-CG1 4.13Å; F235-V239 WeakPolarHBondContact O-CB 3.5Å; F235-V239 PolarHBondContact O-N 3.32Å; F235-V239 VanDerWaalsContact O-N 3.15Å; V239-L241 PolarHBondContact O-N 3.27Å; V239-K242 WeakPolarHBondContact O-CB 3.37Å; V239-K242 PolarHBondContact O-N 2.9Å; V239-D243 WeakPolarHBondContact CG1-OD2 3.42Å; V239-D243 PolarHBondContact O-N 3.24Å |
| 240 | V | 90.2 | Very high | 90 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -65.3 | -41 | -167.7 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | L214 T217 F235 L236 K242 D243 F244 F249 | L214-V240 HydrophobicContact CD2-CG1 3.89Å; T217-V240 HydrophobicContact CG2-CG2 4.26Å; F235-V240 HydrophobicContact CD1-CG2 3.69Å; F235-V240 HydrophobicContact CE1-CG2 3.48Å; F235-V240 VanDerWaalsContact CE1-CG2 3.48Å; F235-V240 HydrophobicContact CZ-CG2 4.26Å; F235-V240 PolarHBondContact O-N 2.84Å; F235-V240 VanDerWaalsContact O-N 3.16Å; L236-V240 HydrophobicContact CD1-CB 3.92Å; L236-V240 HydrophobicContact CD1-CG1 3.75Å; L236-V240 PolarHBondContact O-N 3.38Å; V240-K242 PolarHBondContact O-N 3.45Å; V240-D243 PolarHBondContact O-N 2.91Å; V240-F244 HydrophobicContact CG1-CD2 3.76Å; V240-F244 HydrophobicContact CG1-CE2 4.28Å; V240-F244 WeakPolarHBondContact O-CD2 3.38Å; V240-F244 PolarHBondContact O-N 3.26Å; V240-F249 HydrophobicContact CG1-CE1 4.07Å; V240-F249 HydrophobicContact CG1-CZ 3.7Å |
| 241 | L | 89.2 | Confident | 89.8 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66 | -18.2 | 176.3 | -77.3 | -176.5 | 0 | 0 | 0 | 113.9 | L236 V239 F249 F281 | L236-L241 HydrophobicContact CD1-CG 4.44Å; L236-L241 HydrophobicContact CG-CG 4.46Å; L236-L241 WeakPolarHBondContact O-CB 3.29Å; L236-L241 WeakPolarHBondContact O-CG 3.42Å; L236-L241 PolarHBondContact O-N 3.13Å; V239-L241 PolarHBondContact O-N 3.27Å; L241-F249 HydrophobicContact CD2-CD2 3.81Å; L241-F249 HydrophobicContact CD2-CE2 3.62Å; L241-F249 HydrophobicContact CD2-CZ 4.31Å; L241-F281 HydrophobicContact CD1-CB 4.03Å; L241-F281 HydrophobicContact CD2-CD2 3.66Å; L241-F281 HydrophobicContact CD2-CE2 4.38Å |
| 242 | K | 87.8 | Confident | 89.5 | Confident | 154 Ų | 154 | 39 Ų | 39 | 67% | 0.67 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -91 | -33.8 | 176.2 | -61.7 | -176.9 | -171.1 | 149.8 | 0 | 111.8 | D238 V239 V240 | D238-K242 VanDerWaalsContact O-CD 3.3Å; D238-K242 WeakPolarHBondContact O-CD 3.49Å; D238-K242 VanDerWaalsContact O-CE 3.31Å; D238-K242 WeakPolarHBondContact O-CE 3.31Å; D238-K242 PolarHBondContact O-NZ 3.07Å; V239-K242 WeakPolarHBondContact O-CB 3.37Å; V239-K242 PolarHBondContact O-N 2.9Å; V240-K242 PolarHBondContact O-N 3.45Å |
| 243 | D | 88.2 | Confident | 89.2 | Confident | 116 Ų | 116 | 39.4 Ų | 39.4 | 62% | 0.62 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -81.1 | -29.6 | -178.3 | -67.8 | -16.3 | 0 | 0 | 0 | 112.8 | V239 V240 | V239-D243 WeakPolarHBondContact CG1-OD2 3.42Å; V239-D243 PolarHBondContact O-N 3.24Å; V240-D243 PolarHBondContact O-N 2.91Å |
| 244 | F | 89.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -112.2 | 146.6 | -178 | -67.1 | -82.5 | 0 | 0 | 0 | 112.6 | L206 D210 L214 V240 A246 L248 F249 | L206-F244 HydrophobicContact CD2-CD1 4.37Å; L206-F244 HydrophobicContact CD2-CE1 4.37Å; D210-F244 HydrophobicContact CB-CE1 3.72Å; D210-F244 HydrophobicContact CB-CZ 3.98Å; L214-F244 HydrophobicContact CD2-CD2 4.48Å; L214-F244 HydrophobicContact CD2-CE2 4.47Å; V240-F244 HydrophobicContact CG1-CD2 3.76Å; V240-F244 HydrophobicContact CG1-CE2 4.28Å; V240-F244 WeakPolarHBondContact O-CD2 3.38Å; V240-F244 PolarHBondContact O-N 3.26Å; F244-A246 PolarHBondContact O-N 3.46Å; F244-L248 HydrophobicContact CB-CD2 3.98Å; F244-L248 HydrophobicContact CD1-CD2 3.85Å; F244-L248 HydrophobicContact CG-CD2 4.09Å; F244-F249 HydrophobicContact CB-CE2 4.21Å; F244-F249 HydrophobicContact CB-CZ 4.06Å |
| 245 | P | 88.6 | Confident | 88.8 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | trans | -62.8 | 131.5 | 172.8 | 27.2 | -33.7 | 0 | 0 | 0 | 110.5 | V204 E247 L248 | V204-P245 HydrophobicContact CG1-CG 3.88Å; V204-P245 HydrophobicContact CG2-CG 4Å; P245-E247 HydrophobicContact CB-CG 4.39Å; P245-E247 PolarHBondContact O-N 3.45Å; P245-L248 HydrophobicContact CG-CB 4.5Å; P245-L248 WeakPolarHBondContact O-CB 3.31Å; P245-L248 PolarHBondContact O-N 2.83Å | ||
| 246 | A | 90.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F244 L248 F249 F281 A284 L285 R288 | F244-A246 PolarHBondContact O-N 3.46Å; A246-L248 PolarHBondContact O-N 3.46Å; A246-L248 VanDerWaalsContact O-N 3.08Å; A246-F249 WeakPolarHBondContact O-CD2 3.39Å; A246-F249 PolarHBondContact O-N 2.91Å; A246-F249 VanDerWaalsContact O-N 3.13Å; A246-F281 HydrophobicContact CB-CD2 4.21Å; A246-F281 HydrophobicContact CB-CE2 4.02Å; A246-F281 VanDerWaalsContact O-CE2 3.24Å; A246-F281 WeakPolarHBondContact O-CE2 3.43Å; A246-A284 HydrophobicContact CB-CB 3.69Å; A246-L285 HydrophobicContact CB-CD2 3.76Å; A246-L285 HydrophobicContact CB-CG 4.14Å; A246-R288 HydrophobicContact CB-CG 4.31Å |
| 247 | E | 87.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -20.6 | 176.3 | 61.2 | -93.5 | -148.6 | 0 | 0 | 114.1 | F201 V204 P245 F249 L250 Q251 R288 H292 | F201-E247 HydrophobicContact CB-CB 3.45Å; F201-E247 VanDerWaalsContact CB-CB 3.45Å; F201-E247 HydrophobicContact CB-CG 3.86Å; F201-E247 HydrophobicContact CD1-CB 4.01Å; F201-E247 HydrophobicContact CD1-CG 4.4Å; F201-E247 HydrophobicContact CD2-CB 3.4Å; F201-E247 HydrophobicContact CE2-CB 4.03Å; F201-E247 HydrophobicContact CG-CB 3.36Å; F201-E247 HydrophobicContact CG-CG 4.06Å; V204-E247 HydrophobicContact CG2-CG 3.87Å; P245-E247 HydrophobicContact CB-CG 4.39Å; P245-E247 PolarHBondContact O-N 3.45Å; E247-F249 PolarHBondContact O-N 3.33Å; E247-L250 PolarHBondContact O-N 2.74Å; E247-L250 VanDerWaalsContact O-N 3.16Å; E247-Q251 WeakPolarHBondContact O-CG 3.49Å; E247-Q251 PolarHBondContact O-N 3.36Å; E247-R288 VanDerWaalsContact CD-NE 3.32Å; E247-R288 IonicContact OE1-CZ 3.6Å; E247-R288 VanDerWaalsContact OE1-CZ 3.25Å; E247-R288 IonicContact OE1-NE 3.94Å; E247-R288 PolarHBondContact OE1-NE 3.36Å; E247-R288 IonicContact OE1-NH2 3.79Å; E247-R288 PolarHBondContact OE1-NH2 3.47Å; E247-R288 WeakPolarHBondContact OE2-CD 3.41Å; E247-R288 WeakPolarHBondContact OE2-CG 3.37Å; E247-R288 IonicContact OE2-CZ 3.12Å; E247-R288 IonicContact OE2-NE 3.25Å; E247-R288 PolarHBondContact OE2-NE 2.89Å; E247-R288 IonicContact OE2-NH2 2.91Å; E247-H292 IonicContact OE1-NE2 2.75Å; E247-H292 PolarHBondContact OE1-NE2 2.94Å |
| 248 | L | 88.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -37.8 | 174.8 | -177.4 | 70.8 | 0 | 0 | 0 | 111.9 | V204 L206 L214 F244 P245 A246 Q251 R252 | V204-L248 HydrophobicContact CB-CD1 3.95Å; V204-L248 HydrophobicContact CG1-CD1 4.04Å; L206-L248 HydrophobicContact CD1-CD1 4.02Å; L206-L248 HydrophobicContact CD1-CD2 4.17Å; L206-L248 HydrophobicContact CD2-CD1 3.78Å; L206-L248 HydrophobicContact CD2-CD2 3.98Å; L206-L248 HydrophobicContact CG-CD1 3.9Å; L214-L248 HydrophobicContact CD1-CD2 3.89Å; F244-L248 HydrophobicContact CB-CD2 3.98Å; F244-L248 HydrophobicContact CD1-CD2 3.85Å; F244-L248 HydrophobicContact CG-CD2 4.09Å; P245-L248 HydrophobicContact CG-CB 4.5Å; P245-L248 WeakPolarHBondContact O-CB 3.31Å; P245-L248 PolarHBondContact O-N 2.83Å; A246-L248 PolarHBondContact O-N 3.46Å; A246-L248 VanDerWaalsContact O-N 3.08Å; L248-Q251 PolarHBondContact O-N 2.85Å; L248-R252 PolarHBondContact O-N 3.48Å; L248-R252 VanDerWaalsContact O-N 3.09Å |
| 249 | F | 90.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78.8 | -21.1 | -176.7 | -53.7 | -77.8 | 0 | 0 | 0 | 112.4 | L214 L236 V240 L241 F244 A246 E247 R252 F255 I256 F281 | L214-F249 HydrophobicContact CD2-CE1 3.9Å; L214-F249 HydrophobicContact CD2-CZ 4.33Å; L236-F249 HydrophobicContact CD1-CE1 4.01Å; L236-F249 HydrophobicContact CD1-CZ 4.33Å; V240-F249 HydrophobicContact CG1-CE1 4.07Å; V240-F249 HydrophobicContact CG1-CZ 3.7Å; L241-F249 HydrophobicContact CD2-CD2 3.81Å; L241-F249 HydrophobicContact CD2-CE2 3.62Å; L241-F249 HydrophobicContact CD2-CZ 4.31Å; F244-F249 HydrophobicContact CB-CE2 4.21Å; F244-F249 HydrophobicContact CB-CZ 4.06Å; A246-F249 WeakPolarHBondContact O-CD2 3.39Å; A246-F249 PolarHBondContact O-N 2.91Å; A246-F249 VanDerWaalsContact O-N 3.13Å; E247-F249 PolarHBondContact O-N 3.33Å; F249-R252 CarbonylContact O-C 3.56Å; F249-R252 VanDerWaalsContact O-O 3.12Å; F249-F255 HydrophobicContact CD1-CB 4.21Å; F249-F255 HydrophobicContact CD1-CD1 4.49Å; F249-F255 AromaticContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CE2 4.4Å; F249-F255 AromaticContact CD1-CG 3.96Å; F249-F255 HydrophobicContact CD1-CG 3.96Å; F249-F255 HydrophobicContact CE1-CD2 4.37Å; F249-F255 HydrophobicContact CE1-CE2 4.42Å; F249-F255 HydrophobicContact CE1-CG 4.48Å; F249-I256 WeakPolarHBondContact O-CD1 3.4Å; F249-F281 HydrophobicContact CB-CE2 3.73Å; F249-F281 HydrophobicContact CB-CZ 3.81Å; F249-F281 HydrophobicContact CD2-CD2 4.44Å; F249-F281 AromaticContact CD2-CE2 3.87Å; F249-F281 HydrophobicContact CD2-CE2 3.87Å; F249-F281 HydrophobicContact CG-CE2 4.19Å |
| 250 | L | 87.8 | Confident | 88.8 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.6 | -32.4 | 168.4 | -68.1 | 173.7 | 0 | 0 | 0 | 111.7 | F201 E247 I256 F281 L285 S356 Y357 M359 F362 | F201-L250 HydrophobicContact CD2-CD1 3.93Å; F201-L250 HydrophobicContact CE2-CD1 3.91Å; E247-L250 PolarHBondContact O-N 2.74Å; E247-L250 VanDerWaalsContact O-N 3.16Å; L250-I256 HydrophobicContact CD2-CD1 3.64Å; L250-I256 HydrophobicContact CG-CD1 4.35Å; L250-F281 HydrophobicContact CD2-CE1 4.49Å; L250-F281 HydrophobicContact CD2-CZ 4.37Å; L250-F281 HydrophobicContact CG-CZ 4.22Å; L250-L285 HydrophobicContact CD1-CD1 3.99Å; L250-L285 HydrophobicContact CD1-CD2 3.68Å; L250-L285 HydrophobicContact CD2-CD1 4.42Å; L250-L285 HydrophobicContact CG-CD1 4.32Å; L250-L285 HydrophobicContact CG-CD2 4.23Å; L250-S356 WeakPolarHBondContact O-CA 3.37Å; L250-Y357 PolarHBondContact O-N 3.35Å; L250-M359 HydrophobicContact CD1-CE 3.91Å; L250-F362 HydrophobicContact CD2-CB 3.83Å; L250-F362 HydrophobicContact CD2-CD1 4.03Å; L250-F362 HydrophobicContact CD2-CD2 3.69Å; L250-F362 HydrophobicContact CD2-CE2 4.28Å; L250-F362 HydrophobicContact CD2-CG 3.55Å |
| 251 | Q | 85.1 | Confident | 88.8 | Confident | 13 Ų | 13 | 35 Ų | 35 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77.9 | -23.6 | 178.1 | -65.7 | 168.2 | 10.9 | 0 | 0 | 112.7 | P202 E247 L248 V352 | P202-Q251 PolarHBondContact O-NE2 2.93Å; E247-Q251 WeakPolarHBondContact O-CG 3.49Å; E247-Q251 PolarHBondContact O-N 3.36Å; L248-Q251 PolarHBondContact O-N 2.85Å; Q251-V352 HydrophobicContact CB-CG1 4.04Å |
| 252 | R | 83.8 | Confident | 88.7 | Confident | 37 Ų | 37 | 34.2 Ų | 34.2 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -122.9 | 82.1 | -179.3 | -62.1 | 176.9 | -177.6 | -137.7 | -3 | 109.2 | L206 L248 F249 D254 | L206-R252 VanDerWaalsContact CG-NH2 3.29Å; L248-R252 PolarHBondContact O-N 3.48Å; L248-R252 VanDerWaalsContact O-N 3.09Å; F249-R252 CarbonylContact O-C 3.56Å; F249-R252 VanDerWaalsContact O-O 3.12Å; R252-D254 PolarHBondContact O-N 2.9Å; R252-D254 VanDerWaalsContact O-N 3.11Å |
| 253 | T | 85.4 | Confident | 88.6 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.055 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.5 | -164.4 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | F255 I256 E257 Q355 Y357 | T253-F255 PolarHBondContact O-N 2.94Å; T253-I256 WeakPolarHBondContact O-CA 3.34Å; T253-I256 PolarHBondContact O-N 3.44Å; T253-E257 VanDerWaalsContact CB-OE1 3.25Å; T253-E257 WeakPolarHBondContact CB-OE1 3.29Å; T253-E257 WeakPolarHBondContact O-CG 3.31Å; T253-E257 PolarHBondContact O-N 3.38Å; T253-E257 PolarHBondContact OG1-OE1 2.82Å; T253-Q355 WeakPolarHBondContact CG2-O 3.48Å; T253-Y357 HydrophobicContact CG2-CD2 3.37Å; T253-Y357 HydrophobicContact CG2-CE2 3.55Å; T253-Y357 HydrophobicContact CG2-CG 4.18Å |
| 254 | D | 86.4 | Confident | 88.3 | Confident | 38 Ų | 38 | 25 Ų | 25 | 20% | 0.203 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -47.1 | -41.2 | 180 | -65.9 | -27.5 | 0 | 0 | 0 | 113.5 | L218 R252 N258 Y347 | L218-D254 HydrophobicContact CD1-CB 4.21Å; L218-D254 HydrophobicContact CD2-CB 3.83Å; R252-D254 PolarHBondContact O-N 2.9Å; R252-D254 VanDerWaalsContact O-N 3.11Å; D254-N258 WeakPolarHBondContact O-CB 3.05Å; D254-N258 PolarHBondContact O-N 3.22Å; D254-N258 VanDerWaalsContact O-N 3.13Å; D254-N258 PolarHBondContact O-ND2 2.96Å; D254-Y347 PolarHBondContact OD2-OH 3.33Å |
| 255 | F | 89.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 26.4 Ų | 26.4 | 4% | 0.044 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.3 | -49.7 | 177.6 | -77.5 | -87.4 | 0 | 0 | 0 | 111.2 | L214 T217 L218 I221 L236 F249 T253 N258 L259 | L214-F255 HydrophobicContact CB-CE2 4.16Å; L214-F255 HydrophobicContact CB-CZ 3.99Å; L214-F255 HydrophobicContact CD2-CE2 4.17Å; L214-F255 HydrophobicContact CD2-CZ 3.92Å; L214-F255 WeakPolarHBondContact O-CZ 3.38Å; T217-F255 HydrophobicContact CG2-CE1 4.16Å; L218-F255 HydrophobicContact CB-CE1 4.01Å; L218-F255 HydrophobicContact CB-CE2 4.45Å; L218-F255 HydrophobicContact CB-CZ 3.9Å; L218-F255 HydrophobicContact CD1-CD1 3.97Å; L218-F255 HydrophobicContact CD1-CD2 4.36Å; L218-F255 HydrophobicContact CD1-CE1 4.15Å; L218-F255 HydrophobicContact CD1-CG 4.09Å; L218-F255 HydrophobicContact CD1-CZ 4.44Å; I221-F255 HydrophobicContact CD1-CD1 3.96Å; I221-F255 HydrophobicContact CD1-CE1 4.11Å; L236-F255 HydrophobicContact CD1-CD1 4.24Å; L236-F255 HydrophobicContact CD1-CE1 4.29Å; L236-F255 HydrophobicContact CD2-CD1 4.17Å; F249-F255 HydrophobicContact CD1-CB 4.21Å; F249-F255 HydrophobicContact CD1-CD1 4.49Å; F249-F255 AromaticContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CD2 3.93Å; F249-F255 HydrophobicContact CD1-CE2 4.4Å; F249-F255 AromaticContact CD1-CG 3.96Å; F249-F255 HydrophobicContact CD1-CG 3.96Å; F249-F255 HydrophobicContact CE1-CD2 4.37Å; F249-F255 HydrophobicContact CE1-CE2 4.42Å; F249-F255 HydrophobicContact CE1-CG 4.48Å; T253-F255 PolarHBondContact O-N 2.94Å; F255-N258 PolarHBondContact O-N 3.34Å; F255-L259 WeakPolarHBondContact O-CG 3.47Å; F255-L259 PolarHBondContact O-N 3.45Å |
| 256 | I | 90.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.8 | -46.2 | -177.7 | -64.6 | 177.8 | 0 | 0 | 0 | 110.6 | F249 L250 T253 N258 L259 F260 F281 Y357 F362 | F249-I256 WeakPolarHBondContact O-CD1 3.4Å; L250-I256 HydrophobicContact CD2-CD1 3.64Å; L250-I256 HydrophobicContact CG-CD1 4.35Å; T253-I256 WeakPolarHBondContact O-CA 3.34Å; T253-I256 PolarHBondContact O-N 3.44Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.35Å; I256-L259 PolarHBondContact O-N 3.49Å; I256-F260 HydrophobicContact CG2-CD1 4.35Å; I256-F260 HydrophobicContact CG2-CD2 3.79Å; I256-F260 HydrophobicContact CG2-CE1 4Å; I256-F260 HydrophobicContact CG2-CE2 3.38Å; I256-F260 HydrophobicContact CG2-CG 4.27Å; I256-F260 HydrophobicContact CG2-CZ 3.51Å; I256-F260 WeakPolarHBondContact O-CB 3.44Å; I256-F260 WeakPolarHBondContact O-CG 3.28Å; I256-F260 PolarHBondContact O-N 3.1Å; I256-F281 HydrophobicContact CD1-CE1 3.87Å; I256-F281 HydrophobicContact CD1-CZ 3.98Å; I256-F281 HydrophobicContact CG1-CE1 4.25Å; I256-F281 HydrophobicContact CG1-CZ 4.49Å; I256-Y357 HydrophobicContact CB-CD2 4.44Å; I256-Y357 HydrophobicContact CB-CE2 4Å; I256-Y357 HydrophobicContact CD1-CD2 4.02Å; I256-Y357 HydrophobicContact CD1-CE2 4.43Å; I256-Y357 HydrophobicContact CG2-CD2 4.25Å; I256-Y357 HydrophobicContact CG2-CE2 3.71Å; I256-F362 HydrophobicContact CD1-CD2 3.96Å; I256-F362 HydrophobicContact CD1-CE2 3.91Å; I256-F362 HydrophobicContact CG1-CE2 4.44Å; I256-F362 HydrophobicContact CG2-CD2 3.98Å; I256-F362 HydrophobicContact CG2-CE2 3.86Å |
| 257 | E | 90 | Very high | 87.3 | Confident | 91 Ų | 91 | 36.9 Ų | 36.9 | 43% | 0.425 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.3 | -42.6 | 178 | -71.7 | 176.5 | -155.9 | 0 | 0 | 111.6 | T253 F260 R261 | T253-E257 VanDerWaalsContact CB-OE1 3.25Å; T253-E257 WeakPolarHBondContact CB-OE1 3.29Å; T253-E257 WeakPolarHBondContact O-CG 3.31Å; T253-E257 PolarHBondContact O-N 3.38Å; T253-E257 PolarHBondContact OG1-OE1 2.82Å; E257-F260 PolarHBondContact O-N 3.2Å; E257-R261 WeakPolarHBondContact O-CB 3.48Å; E257-R261 PolarHBondContact O-N 3.39Å |
| 258 | N | 89.9 | Confident | 87.3 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 18% | 0.182 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.9 | -40.7 | 176.7 | -79.1 | -62.9 | 0 | 0 | 0 | 112.6 | C222 D254 F255 I256 F260 R261 I262 | C222-N258 PolarHBondContact SG-ND2 3.06Å; C222-N258 VanDerWaalsContact SG-ND2 3.44Å; C222-N258 PolarHBondContact SG-OD1 2.91Å; D254-N258 WeakPolarHBondContact O-CB 3.05Å; D254-N258 PolarHBondContact O-N 3.22Å; D254-N258 VanDerWaalsContact O-N 3.13Å; D254-N258 PolarHBondContact O-ND2 2.96Å; F255-N258 PolarHBondContact O-N 3.34Å; I256-N258 VanDerWaalsContact C-N 3.3Å; I256-N258 PolarHBondContact O-N 3.35Å; N258-F260 VanDerWaalsContact C-N 3.33Å; N258-F260 PolarHBondContact O-N 3.32Å; N258-R261 PolarHBondContact O-N 2.93Å; N258-I262 WeakPolarHBondContact O-CB 3.46Å; N258-I262 WeakPolarHBondContact O-CD1 3.45Å; N258-I262 WeakPolarHBondContact O-CG1 3.39Å; N258-I262 PolarHBondContact O-N 3.33Å |
| 259 | L | 93.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.5 | -67.2 | 170 | 0 | 0 | 0 | 111.2 | I221 I233 L236 F255 I256 I262 L263 T274 L278 | I221-L259 HydrophobicContact CG2-CD2 4.49Å; I233-L259 HydrophobicContact CG1-CD2 4.33Å; L236-L259 HydrophobicContact CD2-CD1 4.02Å; L236-L259 HydrophobicContact CD2-CD2 4.44Å; F255-L259 WeakPolarHBondContact O-CG 3.47Å; F255-L259 PolarHBondContact O-N 3.45Å; I256-L259 PolarHBondContact O-N 3.49Å; L259-I262 PolarHBondContact O-N 3Å; L259-L263 PolarHBondContact O-N 2.7Å; L259-T274 HydrophobicContact CB-CG2 3.94Å; L259-T274 HydrophobicContact CD2-CG2 3.87Å; L259-T274 HydrophobicContact CG-CG2 4.47Å; L259-T274 WeakPolarHBondContact O-CG2 3.27Å; L259-L278 HydrophobicContact CD1-CD2 4.1Å |
| 260 | F | 92.9 | Very high | 87.2 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 175.6 | -72.2 | -7.7 | 0 | 0 | 0 | 112.5 | I256 E257 N258 I262 L263 L278 F362 Q365 L366 V369 | I256-F260 HydrophobicContact CG2-CD1 4.35Å; I256-F260 HydrophobicContact CG2-CD2 3.79Å; I256-F260 HydrophobicContact CG2-CE1 4Å; I256-F260 HydrophobicContact CG2-CE2 3.38Å; I256-F260 HydrophobicContact CG2-CG 4.27Å; I256-F260 HydrophobicContact CG2-CZ 3.51Å; I256-F260 WeakPolarHBondContact O-CB 3.44Å; I256-F260 WeakPolarHBondContact O-CG 3.28Å; I256-F260 PolarHBondContact O-N 3.1Å; E257-F260 PolarHBondContact O-N 3.2Å; N258-F260 VanDerWaalsContact C-N 3.33Å; N258-F260 PolarHBondContact O-N 3.32Å; F260-I262 VanDerWaalsContact C-N 3.3Å; F260-I262 PolarHBondContact O-N 2.69Å; F260-L263 PolarHBondContact O-N 2.64Å; F260-L278 HydrophobicContact CE1-CD1 4.41Å; F260-L278 HydrophobicContact CE1-CD2 4.3Å; F260-F362 HydrophobicContact CE1-CE2 4.33Å; F260-F362 HydrophobicContact CE2-CD2 4.48Å; F260-F362 AromaticContact CZ-CD2 3.96Å; F260-F362 HydrophobicContact CZ-CD2 3.96Å; F260-F362 AromaticContact CZ-CE2 3.68Å; F260-F362 HydrophobicContact CZ-CE2 3.68Å; F260-Q365 HydrophobicContact CD2-CG 3.77Å; F260-Q365 HydrophobicContact CE2-CB 3.93Å; F260-Q365 HydrophobicContact CE2-CG 3.66Å; F260-L366 HydrophobicContact CE1-CB 4.32Å; F260-L366 HydrophobicContact CE1-CD1 3.85Å; F260-L366 HydrophobicContact CZ-CB 3.98Å; F260-L366 HydrophobicContact CZ-CD1 4.34Å; F260-V369 HydrophobicContact CB-CG1 4.42Å; F260-V369 HydrophobicContact CB-CG2 3.9Å; F260-V369 HydrophobicContact CD1-CB 4.45Å; F260-V369 HydrophobicContact CD1-CG1 4.39Å; F260-V369 HydrophobicContact CD1-CG2 4.24Å; F260-V369 HydrophobicContact CD2-CG2 4.24Å; F260-V369 HydrophobicContact CG-CG2 3.88Å |
| 261 | R | 88.9 | Confident | 87.3 | Confident | 117 Ų | 117 | 39.8 Ų | 39.8 | 44% | 0.442 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 173.1 | -173.1 | -177.3 | 63.8 | 69 | 3.8 | 111.5 | E257 N258 N264 E265 | E257-R261 WeakPolarHBondContact O-CB 3.48Å; E257-R261 PolarHBondContact O-N 3.39Å; N258-R261 PolarHBondContact O-N 2.93Å; R261-N264 PolarHBondContact O-N 3.03Å; R261-E265 IonicContact CZ-OE1 3.58Å; R261-E265 IonicContact NH1-OE1 3.91Å; R261-E265 PolarHBondContact NH1-OE1 3.41Å |
| 262 | I | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | -179.9 | -72.4 | 164.4 | 0 | 0 | 0 | 112 | I221 I233 N258 L259 F260 N264 E265 I270 T274 | I221-I262 HydrophobicContact CG2-CD1 3.63Å; I233-I262 HydrophobicContact CD1-CD1 4.38Å; N258-I262 WeakPolarHBondContact O-CB 3.46Å; N258-I262 WeakPolarHBondContact O-CD1 3.45Å; N258-I262 WeakPolarHBondContact O-CG1 3.39Å; N258-I262 PolarHBondContact O-N 3.33Å; L259-I262 PolarHBondContact O-N 3Å; F260-I262 VanDerWaalsContact C-N 3.3Å; F260-I262 PolarHBondContact O-N 2.69Å; I262-N264 PolarHBondContact O-N 3.34Å; I262-N264 VanDerWaalsContact O-N 3.16Å; I262-E265 VanDerWaalsContact O-CB 3.29Å; I262-E265 WeakPolarHBondContact O-CB 3.29Å; I262-E265 PolarHBondContact O-N 3Å; I262-I270 HydrophobicContact CG2-CB 4.26Å; I262-I270 HydrophobicContact CG2-CG2 3.29Å; I262-T274 HydrophobicContact CG2-CG2 4.43Å; I262-T274 VanDerWaalsContact CG2-OG1 3.24Å; I262-T274 WeakPolarHBondContact CG2-OG1 3.39Å |
| 263 | L | 86.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -21.2 | 176.3 | -76.5 | -178.6 | 0 | 0 | 0 | 113.7 | L259 F260 I271 T274 I275 L278 V369 F412 | L259-L263 PolarHBondContact O-N 2.7Å; F260-L263 PolarHBondContact O-N 2.64Å; L263-I271 HydrophobicContact CD2-CG2 3.93Å; L263-T274 HydrophobicContact CD1-CG2 4.38Å; L263-T274 HydrophobicContact CD2-CG2 3.77Å; L263-T274 HydrophobicContact CG-CG2 3.69Å; L263-I275 HydrophobicContact CD2-CG1 3.7Å; L263-L278 HydrophobicContact CD1-CD1 3.47Å; L263-L278 VanDerWaalsContact CD1-CD1 3.47Å; L263-L278 HydrophobicContact CG-CD1 4.33Å; L263-V369 HydrophobicContact CB-CG1 3.34Å; L263-V369 HydrophobicContact CD1-CB 4.47Å; L263-V369 HydrophobicContact CD1-CG1 3.4Å; L263-V369 HydrophobicContact CG-CG1 3.98Å; L263-F412 HydrophobicContact CD2-CE1 4.43Å; L263-F412 HydrophobicContact CD2-CZ 4.47Å |
| 264 | N | 82.3 | Confident | 88.3 | Confident | 76 Ų | 76 | 39.5 Ų | 39.5 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.1 | 174.9 | -65.8 | -28.4 | 0 | 0 | 0 | 113.2 | R261 I262 N372 | R261-N264 PolarHBondContact O-N 3.03Å; I262-N264 PolarHBondContact O-N 3.34Å; I262-N264 VanDerWaalsContact O-N 3.16Å; N264-N372 VanDerWaalsContact OD1-CB 3.3Å; N264-N372 WeakPolarHBondContact OD1-CB 3.37Å |
| 265 | E | 81.6 | Confident | 88.7 | Confident | 60 Ų | 60 | 37.7 Ų | 37.7 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -76.1 | 170 | 174.8 | -66.5 | -174.5 | -179.3 | 0 | 0 | 111.6 | R261 I262 I271 | R261-E265 IonicContact CZ-OE1 3.58Å; R261-E265 IonicContact NH1-OE1 3.91Å; R261-E265 PolarHBondContact NH1-OE1 3.41Å; I262-E265 VanDerWaalsContact O-CB 3.29Å; I262-E265 WeakPolarHBondContact O-CB 3.29Å; I262-E265 PolarHBondContact O-N 3Å; E265-I271 WeakPolarHBondContact O-CD1 3.44Å |
| 266 | K | 78.9 | Confident | 88.7 | Confident | 199 Ų | 199 | 38.7 Ų | 38.7 | 87% | 0.865 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -88.6 | -12.1 | -179.8 | -64.7 | -174.6 | 178.1 | -177.6 | 0 | 113.6 | L268 | K266-L268 PolarHBondContact O-N 3.39Š|
| 267 | N | 87.1 | Confident | 88.9 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 33% | 0.332 | 18% | 0.182 | S | C | . | . | trans | -84.5 | 103.2 | -176.2 | -171.5 | -25.3 | 0 | 0 | 0 | 110.6 | E269 I270 I271 | N267-E269 VanDerWaalsContact C-N 3.26Å; N267-E269 PolarHBondContact O-N 3.41Å; N267-E269 PolarHBondContact OD1-N 3.4Å; N267-E269 VanDerWaalsContact OD1-N 3.11Å; N267-I270 HydrophobicContact CB-CB 4.4Å; N267-I270 HydrophobicContact CB-CD1 3.83Å; N267-I270 HydrophobicContact CB-CG1 3.93Å; N267-I270 PolarHBondContact O-N 3.38Å; N267-I271 WeakPolarHBondContact O-CG1 3.26Å; N267-I271 PolarHBondContact O-N 3.11Å; N267-I271 VanDerWaalsContact O-N 3.09Å | ||
| 268 | L | 87 | Confident | 89.1 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -27.3 | -175.5 | -58.8 | -178 | 0 | 0 | 0 | 114 | K266 I271 Y272 V377 H380 W404 L408 | K266-L268 PolarHBondContact O-N 3.39Å; L268-I271 HydrophobicContact CD2-CD1 3.97Å; L268-I271 PolarHBondContact O-N 3.13Å; L268-Y272 WeakPolarHBondContact O-CB 3.13Å; L268-Y272 PolarHBondContact O-N 3.42Å; L268-V377 HydrophobicContact CD2-CG2 4.28Å; L268-H380 HydrophobicContact CD1-CB 4.25Å; L268-H380 WeakPolarHBondContact CD1-ND1 3.39Å; L268-W404 VanDerWaalsContact C-CZ3 3.45Å; L268-W404 HydrophobicContact CB-CH2 3.67Å; L268-W404 HydrophobicContact CB-CZ3 3.48Å; L268-W404 VanDerWaalsContact CB-CZ3 3.48Å; L268-L408 HydrophobicContact CB-CD1 4.24Å; L268-L408 HydrophobicContact CD1-CD1 4.16Å |
| 269 | E | 87.5 | Confident | 89.3 | Confident | 52 Ų | 52 | 33.2 Ų | 33.2 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | 178.3 | -173 | 170.4 | -174.6 | 0 | 0 | 111.6 | I230 N267 I271 Y272 S273 W404 | I230-E269 HydrophobicContact CD1-CB 4.33Å; I230-E269 HydrophobicContact CD1-CG 3.75Å; N267-E269 VanDerWaalsContact C-N 3.26Å; N267-E269 PolarHBondContact O-N 3.41Å; N267-E269 PolarHBondContact OD1-N 3.4Å; N267-E269 VanDerWaalsContact OD1-N 3.11Å; E269-I271 VanDerWaalsContact C-N 3.32Å; E269-Y272 PolarHBondContact O-N 2.83Å; E269-S273 PolarHBondContact O-N 3.48Å; E269-S273 PolarHBondContact O-OG 3.22Å; E269-W404 HydrophobicContact CB-CD2 4.46Å; E269-W404 HydrophobicContact CB-CH2 3.91Å; E269-W404 HydrophobicContact CB-CZ2 3.41Å; E269-W404 VanDerWaalsContact CB-CZ2 3.41Å; E269-W404 HydrophobicContact CG-CD2 4.43Å; E269-W404 HydrophobicContact CG-CZ2 3.92Å |
| 270 | I | 89.4 | Confident | 89.2 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.9 | -49.8 | -179.4 | 0 | 0 | 0 | 109 | P226 I230 I233 I262 N267 Y272 S273 T274 | P226-I270 HydrophobicContact CB-CD1 3.93Å; I230-I270 HydrophobicContact CD1-CG1 4.14Å; I230-I270 HydrophobicContact CG1-CG1 3.96Å; I233-I270 HydrophobicContact CD1-CG2 3.7Å; I262-I270 HydrophobicContact CG2-CB 4.26Å; I262-I270 HydrophobicContact CG2-CG2 3.29Å; N267-I270 HydrophobicContact CB-CB 4.4Å; N267-I270 HydrophobicContact CB-CD1 3.83Å; N267-I270 HydrophobicContact CB-CG1 3.93Å; N267-I270 PolarHBondContact O-N 3.38Å; I270-Y272 PolarHBondContact O-N 2.96Å; I270-S273 PolarHBondContact O-N 2.96Å; I270-T274 WeakPolarHBondContact O-CB 3.46Å; I270-T274 PolarHBondContact O-N 3.4Å; I270-T274 PolarHBondContact O-OG1 2.92Å |
| 271 | I | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 174 | -68 | 168.7 | 0 | 0 | 0 | 110.2 | L263 E265 N267 L268 E269 S273 T274 I275 L408 F412 | L263-I271 HydrophobicContact CD2-CG2 3.93Å; E265-I271 WeakPolarHBondContact O-CD1 3.44Å; N267-I271 WeakPolarHBondContact O-CG1 3.26Å; N267-I271 PolarHBondContact O-N 3.11Å; N267-I271 VanDerWaalsContact O-N 3.09Å; L268-I271 HydrophobicContact CD2-CD1 3.97Å; L268-I271 PolarHBondContact O-N 3.13Å; E269-I271 VanDerWaalsContact C-N 3.32Å; I271-S273 PolarHBondContact O-N 3.22Å; I271-T274 WeakPolarHBondContact O-CB 3.36Å; I271-T274 PolarHBondContact O-N 2.94Å; I271-T274 VanDerWaalsContact O-N 3.13Å; I271-I275 HydrophobicContact CG2-CD1 3.78Å; I271-I275 HydrophobicContact CG2-CG1 4.31Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.46Å; I271-I275 PolarHBondContact O-N 3.17Å; I271-L408 HydrophobicContact CG2-CD2 4.42Å; I271-F412 HydrophobicContact CG2-CE2 3.95Å; I271-F412 HydrophobicContact CG2-CZ 3.66Å |
| 272 | Y | 90.7 | Very high | 89.6 | Confident | 42 Ų | 42 | 29 Ų | 29 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 179.5 | 178.9 | -99.6 | 0 | 0 | 0 | 113.2 | L268 E269 I270 T274 I275 S276 W404 K407 L408 | L268-Y272 WeakPolarHBondContact O-CB 3.13Å; L268-Y272 PolarHBondContact O-N 3.42Å; E269-Y272 PolarHBondContact O-N 2.83Å; I270-Y272 PolarHBondContact O-N 2.96Å; Y272-T274 VanDerWaalsContact C-N 3.26Å; Y272-T274 PolarHBondContact O-N 3.19Å; Y272-I275 PolarHBondContact O-N 3.44Å; Y272-S276 PolarHBondContact O-N 2.88Å; Y272-S276 PolarHBondContact O-OG 3.15Å; Y272-W404 HydrophobicContact CD1-CB 3.36Å; Y272-W404 HydrophobicContact CD1-CG 4.06Å; Y272-W404 HydrophobicContact CD2-CB 4.08Å; Y272-W404 HydrophobicContact CE1-CB 3.49Å; Y272-W404 VanDerWaalsContact CE1-CB 3.49Å; Y272-W404 HydrophobicContact CE2-CB 4.22Å; Y272-W404 HydrophobicContact CG-CB 3.66Å; Y272-W404 HydrophobicContact CG-CE3 4.41Å; Y272-W404 HydrophobicContact CG-CG 4.31Å; Y272-K407 HydrophobicContact CE2-CB 3.78Å; Y272-K407 HydrophobicContact CE2-CD 4.5Å; Y272-L408 HydrophobicContact CD2-CD2 4.28Å |
| 273 | S | 90.7 | Very high | 89.7 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | I233 E269 I270 I271 S276 C277 | I233-S273 WeakPolarHBondContact CG2-O 3.4Å; E269-S273 PolarHBondContact O-N 3.48Å; E269-S273 PolarHBondContact O-OG 3.22Å; I270-S273 PolarHBondContact O-N 2.96Å; I271-S273 PolarHBondContact O-N 3.22Å; S273-S276 PolarHBondContact O-N 3.21Å; S273-C277 PolarHBondContact O-N 3.49Å; S273-C277 VanDerWaalsContact O-N 3.08Å |
| 274 | T | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | I233 L259 I262 L263 I270 I271 Y272 S276 C277 L278 | I233-T274 WeakPolarHBondContact CD1-OG1 3.48Å; L259-T274 HydrophobicContact CB-CG2 3.94Å; L259-T274 HydrophobicContact CD2-CG2 3.87Å; L259-T274 HydrophobicContact CG-CG2 4.47Å; L259-T274 WeakPolarHBondContact O-CG2 3.27Å; I262-T274 HydrophobicContact CG2-CG2 4.43Å; I262-T274 VanDerWaalsContact CG2-OG1 3.24Å; I262-T274 WeakPolarHBondContact CG2-OG1 3.39Å; L263-T274 HydrophobicContact CD1-CG2 4.38Å; L263-T274 HydrophobicContact CD2-CG2 3.77Å; L263-T274 HydrophobicContact CG-CG2 3.69Å; I270-T274 WeakPolarHBondContact O-CB 3.46Å; I270-T274 PolarHBondContact O-N 3.4Å; I270-T274 PolarHBondContact O-OG1 2.92Å; I271-T274 WeakPolarHBondContact O-CB 3.36Å; I271-T274 PolarHBondContact O-N 2.94Å; I271-T274 VanDerWaalsContact O-N 3.13Å; Y272-T274 VanDerWaalsContact C-N 3.26Å; Y272-T274 PolarHBondContact O-N 3.19Å; T274-S276 VanDerWaalsContact C-N 3.33Å; T274-S276 PolarHBondContact O-N 3.25Å; T274-C277 WeakPolarHBondContact O-CB 3.32Å; T274-C277 PolarHBondContact O-N 2.97Å; T274-L278 HydrophobicContact CG2-CD1 4.05Å; T274-L278 WeakPolarHBondContact O-CG 3.35Å; T274-L278 PolarHBondContact O-N 3.34Å |
| 275 | I | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 175.7 | -65.1 | 163.3 | 0 | 0 | 0 | 110.3 | L263 I271 Y272 C277 L278 I279 L408 F412 L415 | L263-I275 HydrophobicContact CD2-CG1 3.7Å; I271-I275 HydrophobicContact CG2-CD1 3.78Å; I271-I275 HydrophobicContact CG2-CG1 4.31Å; I271-I275 VanDerWaalsContact O-CG1 3.28Å; I271-I275 WeakPolarHBondContact O-CG1 3.46Å; I271-I275 PolarHBondContact O-N 3.17Å; Y272-I275 PolarHBondContact O-N 3.44Å; I275-C277 VanDerWaalsContact C-N 3.29Å; I275-C277 PolarHBondContact O-N 3.24Å; I275-L278 PolarHBondContact O-N 2.82Å; I275-L278 VanDerWaalsContact O-N 3.12Å; I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.3Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.2Å; I275-L408 HydrophobicContact CD1-CD2 4.46Å; I275-F412 HydrophobicContact CD1-CD1 3.9Å; I275-F412 HydrophobicContact CD1-CD2 3.61Å; I275-F412 HydrophobicContact CD1-CE1 3.68Å; I275-F412 HydrophobicContact CD1-CE2 3.36Å; I275-F412 HydrophobicContact CD1-CG 3.88Å; I275-F412 HydrophobicContact CD1-CZ 3.41Å; I275-F412 VanDerWaalsContact CD1-CZ 3.41Å; I275-F412 HydrophobicContact CG1-CD1 4.2Å; I275-F412 HydrophobicContact CG1-CE1 3.88Å; I275-F412 HydrophobicContact CG1-CE2 4.42Å; I275-F412 HydrophobicContact CG1-CZ 4.01Å; I275-L415 HydrophobicContact CG2-CB 4.15Å; I275-L415 HydrophobicContact CG2-CD2 4.06Å |
| 276 | S | 90.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 29.5 Ų | 29.5 | 22% | 0.217 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Y272 S273 T274 I279 S280 | Y272-S276 PolarHBondContact O-N 2.88Å; Y272-S276 PolarHBondContact O-OG 3.15Å; S273-S276 PolarHBondContact O-N 3.21Å; T274-S276 VanDerWaalsContact C-N 3.33Å; T274-S276 PolarHBondContact O-N 3.25Å; S276-I279 PolarHBondContact O-N 3Å; S276-S280 PolarHBondContact O-N 3.33Å; S276-S280 PolarHBondContact O-OG 2.94Å |
| 277 | C | 93.9 | Very high | 91 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 173.9 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | I233 H237 S273 T274 I275 S280 F281 | I233-C277 HydrophobicContact CG2-CB 3.88Å; H237-C277 HydrophobicContact CB-CB 4.18Å; S273-C277 PolarHBondContact O-N 3.49Å; S273-C277 VanDerWaalsContact O-N 3.08Å; T274-C277 WeakPolarHBondContact O-CB 3.32Å; T274-C277 PolarHBondContact O-N 2.97Å; I275-C277 VanDerWaalsContact C-N 3.29Å; I275-C277 PolarHBondContact O-N 3.24Å; C277-S280 PolarHBondContact O-N 3.08Å; C277-F281 WeakPolarHBondContact O-CB 3.23Å; C277-F281 PolarHBondContact O-N 3.5Å |
| 278 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.1 | -33.1 | -178.9 | -73.1 | 169 | 0 | 0 | 0 | 113.3 | L259 F260 L263 T274 I275 F281 C282 L366 L415 | L259-L278 HydrophobicContact CD1-CD2 4.1Å; F260-L278 HydrophobicContact CE1-CD1 4.41Å; F260-L278 HydrophobicContact CE1-CD2 4.3Å; L263-L278 HydrophobicContact CD1-CD1 3.47Å; L263-L278 VanDerWaalsContact CD1-CD1 3.47Å; L263-L278 HydrophobicContact CG-CD1 4.33Å; T274-L278 HydrophobicContact CG2-CD1 4.05Å; T274-L278 WeakPolarHBondContact O-CG 3.35Å; T274-L278 PolarHBondContact O-N 3.34Å; I275-L278 PolarHBondContact O-N 2.82Å; I275-L278 VanDerWaalsContact O-N 3.12Å; L278-F281 HydrophobicContact CD2-CD1 4.34Å; L278-F281 PolarHBondContact O-N 3.11Å; L278-C282 WeakPolarHBondContact O-CB 3.46Å; L278-C282 PolarHBondContact O-N 2.94Å; L278-C282 PolarHBondContact O-SG 3.36Å; L278-L366 HydrophobicContact CD1-CD1 4.3Å; L278-L415 HydrophobicContact CB-CD1 3.74Å; L278-L415 HydrophobicContact CB-CD2 4.07Å; L278-L415 HydrophobicContact CD1-CD2 4.25Å |
| 279 | I | 92.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.051 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 173.9 | -70.7 | 165.4 | 0 | 0 | 0 | 109.7 | I275 S276 F281 C282 R283 L414 L415 | I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.3Å; I275-I279 WeakPolarHBondContact O-CG1 3.42Å; I275-I279 PolarHBondContact O-N 3.2Å; S276-I279 PolarHBondContact O-N 3Å; I279-F281 VanDerWaalsContact C-N 3.31Å; I279-F281 PolarHBondContact O-N 3.41Å; I279-C282 PolarHBondContact O-N 3.37Å; I279-R283 WeakPolarHBondContact O-CG 3.33Å; I279-R283 PolarHBondContact O-N 3.49Å; I279-L414 HydrophobicContact CD1-CB 4.37Å; I279-L414 HydrophobicContact CD1-CD2 4Å; I279-L414 HydrophobicContact CD1-CG 4.13Å; I279-L414 HydrophobicContact CG2-CD2 4.44Å; I279-L415 HydrophobicContact CD1-CB 4.3Å; I279-L415 HydrophobicContact CG1-CB 3.75Å; I279-L415 HydrophobicContact CG1-CD1 3.89Å; I279-L415 HydrophobicContact CG1-CG 4.36Å |
| 280 | S | 91.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 24 Ų | 24 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 178 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | H237 S276 C277 R283 A284 | H237-S280 PolarHBondContact CD2-OG 3.11Å; H237-S280 PolarHBondContact NE2-OG 3.34Å; S276-S280 PolarHBondContact O-N 3.33Å; S276-S280 PolarHBondContact O-OG 2.94Å; C277-S280 PolarHBondContact O-N 3.08Å; S280-R283 PolarHBondContact O-N 2.66Å; S280-A284 WeakPolarHBondContact O-CB 3.5Å; S280-A284 PolarHBondContact O-N 3.18Å |
| 281 | F | 95.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -50.8 | 174.6 | 180 | -123.3 | 0 | 0 | 0 | 112.4 | L241 A246 F249 L250 I256 C277 L278 I279 R283 A284 L285 F362 | L241-F281 HydrophobicContact CD1-CB 4.03Å; L241-F281 HydrophobicContact CD2-CD2 3.66Å; L241-F281 HydrophobicContact CD2-CE2 4.38Å; A246-F281 HydrophobicContact CB-CD2 4.21Å; A246-F281 HydrophobicContact CB-CE2 4.02Å; A246-F281 VanDerWaalsContact O-CE2 3.24Å; A246-F281 WeakPolarHBondContact O-CE2 3.43Å; F249-F281 HydrophobicContact CB-CE2 3.73Å; F249-F281 HydrophobicContact CB-CZ 3.81Å; F249-F281 HydrophobicContact CD2-CD2 4.44Å; F249-F281 AromaticContact CD2-CE2 3.87Å; F249-F281 HydrophobicContact CD2-CE2 3.87Å; F249-F281 HydrophobicContact CG-CE2 4.19Å; L250-F281 HydrophobicContact CD2-CE1 4.49Å; L250-F281 HydrophobicContact CD2-CZ 4.37Å; L250-F281 HydrophobicContact CG-CZ 4.22Å; I256-F281 HydrophobicContact CD1-CE1 3.87Å; I256-F281 HydrophobicContact CD1-CZ 3.98Å; I256-F281 HydrophobicContact CG1-CE1 4.25Å; I256-F281 HydrophobicContact CG1-CZ 4.49Å; C277-F281 WeakPolarHBondContact O-CB 3.23Å; C277-F281 PolarHBondContact O-N 3.5Å; L278-F281 HydrophobicContact CD2-CD1 4.34Å; L278-F281 PolarHBondContact O-N 3.11Å; I279-F281 VanDerWaalsContact C-N 3.31Å; I279-F281 PolarHBondContact O-N 3.41Å; F281-R283 VanDerWaalsContact C-N 3.33Å; F281-R283 PolarHBondContact O-N 3.23Å; F281-A284 WeakPolarHBondContact O-CB 3.47Å; F281-A284 PolarHBondContact O-N 3.45Å; F281-L285 HydrophobicContact CD1-CD1 4.17Å; F281-L285 HydrophobicContact CD2-CG 4.49Å; F281-L285 HydrophobicContact CE1-CD1 3.68Å; F281-L285 HydrophobicContact CE1-CG 4.43Å; F281-L285 HydrophobicContact CE2-CD1 4.23Å; F281-L285 HydrophobicContact CE2-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CG 4.12Å; F281-L285 HydrophobicContact CZ-CD1 3.72Å; F281-L285 HydrophobicContact CZ-CD2 4.21Å; F281-L285 HydrophobicContact CZ-CG 4.1Å; F281-L285 WeakPolarHBondContact O-CG 3.46Å; F281-L285 PolarHBondContact O-N 2.95Å; F281-F362 HydrophobicContact CD1-CE2 4.38Å; F281-F362 AromaticContact CD1-CZ 3.84Å; F281-F362 HydrophobicContact CD1-CZ 3.84Å; F281-F362 HydrophobicContact CE1-CE1 4.32Å; F281-F362 AromaticContact CE1-CE2 3.81Å; F281-F362 HydrophobicContact CE1-CE2 3.81Å; F281-F362 AromaticContact CE1-CZ 3.56Å; F281-F362 HydrophobicContact CE1-CZ 3.56Å |
| 282 | C | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 179 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | L278 I279 L285 I286 V418 L422 | L278-C282 WeakPolarHBondContact O-CB 3.46Å; L278-C282 PolarHBondContact O-N 2.94Å; L278-C282 PolarHBondContact O-SG 3.36Å; I279-C282 PolarHBondContact O-N 3.37Å; C282-L285 PolarHBondContact O-N 2.76Å; C282-I286 WeakPolarHBondContact O-CG1 3.23Å; C282-I286 PolarHBondContact O-N 3.06Å; C282-V418 HydrophobicContact CB-CG1 3.51Å; C282-L422 HydrophobicContact CB-CD2 4.22Å |
| 283 | R | 90.2 | Very high | 88.5 | Confident | 91 Ų | 91 | 30.6 Ų | 30.6 | 34% | 0.343 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 173.3 | -75.7 | 174.1 | 172.3 | 161.8 | -4.1 | 111.7 | I279 S280 F281 L285 I286 T287 V418 | I279-R283 WeakPolarHBondContact O-CG 3.33Å; I279-R283 PolarHBondContact O-N 3.49Å; S280-R283 PolarHBondContact O-N 2.66Å; F281-R283 VanDerWaalsContact C-N 3.33Å; F281-R283 PolarHBondContact O-N 3.23Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 2.83Å; R283-I286 WeakPolarHBondContact O-CB 3.11Å; R283-I286 PolarHBondContact O-N 2.86Å; R283-T287 PolarHBondContact O-N 3.33Å; R283-T287 PolarHBondContact O-OG1 2.84Å; R283-V418 HydrophobicContact CG-CG1 3.97Å |
| 284 | A | 90 | Very high | 87.5 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A246 S280 F281 I286 T287 R288 | A246-A284 HydrophobicContact CB-CB 3.69Å; S280-A284 WeakPolarHBondContact O-CB 3.5Å; S280-A284 PolarHBondContact O-N 3.18Å; F281-A284 WeakPolarHBondContact O-CB 3.47Å; F281-A284 PolarHBondContact O-N 3.45Å; A284-I286 PolarHBondContact O-N 3.21Å; A284-T287 WeakPolarHBondContact O-CB 3.45Å; A284-T287 PolarHBondContact O-N 3.28Å; A284-T287 VanDerWaalsContact O-N 3.14Å; A284-R288 VanDerWaalsContact O-CG 3.29Å; A284-R288 WeakPolarHBondContact O-CG 3.34Å; A284-R288 PolarHBondContact O-N 3.04Å |
| 285 | L | 92 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 174.7 | -69.7 | 175.9 | 0 | 0 | 0 | 112.5 | F201 A246 L250 F281 C282 R283 T287 R288 I289 F362 L422 | F201-L285 HydrophobicContact CE2-CD2 3.91Å; F201-L285 HydrophobicContact CZ-CD2 4.43Å; A246-L285 HydrophobicContact CB-CD2 3.76Å; A246-L285 HydrophobicContact CB-CG 4.14Å; L250-L285 HydrophobicContact CD1-CD1 3.99Å; L250-L285 HydrophobicContact CD1-CD2 3.68Å; L250-L285 HydrophobicContact CD2-CD1 4.42Å; L250-L285 HydrophobicContact CG-CD1 4.32Å; L250-L285 HydrophobicContact CG-CD2 4.23Å; F281-L285 HydrophobicContact CD1-CD1 4.17Å; F281-L285 HydrophobicContact CD2-CG 4.49Å; F281-L285 HydrophobicContact CE1-CD1 3.68Å; F281-L285 HydrophobicContact CE1-CG 4.43Å; F281-L285 HydrophobicContact CE2-CD1 4.23Å; F281-L285 HydrophobicContact CE2-CD2 4.22Å; F281-L285 HydrophobicContact CE2-CG 4.12Å; F281-L285 HydrophobicContact CZ-CD1 3.72Å; F281-L285 HydrophobicContact CZ-CD2 4.21Å; F281-L285 HydrophobicContact CZ-CG 4.1Å; F281-L285 WeakPolarHBondContact O-CG 3.46Å; F281-L285 PolarHBondContact O-N 2.95Å; C282-L285 PolarHBondContact O-N 2.76Å; R283-L285 VanDerWaalsContact C-N 3.34Å; R283-L285 PolarHBondContact O-N 2.83Å; L285-T287 VanDerWaalsContact C-N 3.32Å; L285-T287 PolarHBondContact O-N 3.3Å; L285-R288 CarbonylContact O-C 3.15Å; L285-R288 WeakPolarHBondContact O-CA 3.38Å; L285-R288 WeakPolarHBondContact O-CB 3.22Å; L285-R288 PolarHBondContact O-N 3.35Å; L285-R288 VanDerWaalsContact O-N 3.08Å; L285-I289 WeakPolarHBondContact O-CG1 3.32Å; L285-I289 PolarHBondContact O-N 3Å; L285-F362 HydrophobicContact CD1-CD1 4.47Å; L285-F362 HydrophobicContact CD1-CE1 3.98Å; L285-F362 HydrophobicContact CD1-CZ 4.47Å; L285-L422 HydrophobicContact CB-CD1 3.61Å; L285-L422 HydrophobicContact CB-CD2 4.25Å; L285-L422 HydrophobicContact CD1-CD2 3.8Å |
| 286 | I | 88.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 174.4 | -69 | 168.3 | 0 | 0 | 0 | 110.6 | C282 R283 A284 R288 I289 Y290 V418 N421 L422 I425 | C282-I286 WeakPolarHBondContact O-CG1 3.23Å; C282-I286 PolarHBondContact O-N 3.06Å; R283-I286 WeakPolarHBondContact O-CB 3.11Å; R283-I286 PolarHBondContact O-N 2.86Å; A284-I286 PolarHBondContact O-N 3.21Å; I286-R288 VanDerWaalsContact C-N 3.27Å; I286-R288 PolarHBondContact O-N 2.88Å; I286-I289 PolarHBondContact O-N 3.2Å; I286-Y290 HydrophobicContact CG2-CD2 4.01Å; I286-Y290 HydrophobicContact CG2-CE2 3.69Å; I286-Y290 VanDerWaalsContact O-CD2 3.31Å; I286-Y290 WeakPolarHBondContact O-CD2 3.3Å; I286-Y290 PolarHBondContact O-N 2.95Å; I286-V418 HydrophobicContact CD1-CG1 4.23Å; I286-N421 HydrophobicContact CD1-CB 4.09Å; I286-L422 HydrophobicContact CD1-CB 4.25Å; I286-L422 HydrophobicContact CG1-CB 4.01Å; I286-L422 HydrophobicContact CG1-CD1 3.77Å; I286-I425 HydrophobicContact CD1-CD1 4.36Å; I286-I425 HydrophobicContact CG1-CD1 4.33Å; I286-I425 HydrophobicContact CG2-CD1 3.75Å |
| 287 | T | 86.4 | Confident | 83.6 | Confident | 95 Ų | 95 | 43 Ų | 43 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.5 | -39.1 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | R283 A284 L285 Y290 Y291 | R283-T287 PolarHBondContact O-N 3.33Å; R283-T287 PolarHBondContact O-OG1 2.84Å; A284-T287 WeakPolarHBondContact O-CB 3.45Å; A284-T287 PolarHBondContact O-N 3.28Å; A284-T287 VanDerWaalsContact O-N 3.14Å; L285-T287 VanDerWaalsContact C-N 3.32Å; L285-T287 PolarHBondContact O-N 3.3Å; T287-Y290 PolarHBondContact O-N 3.09Å; T287-Y291 WeakPolarHBondContact O-CB 3.48Å; T287-Y291 PolarHBondContact O-N 3.13Å |
| 288 | R | 88.1 | Confident | 81.5 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.9 | -36.5 | 176.7 | -63 | -61 | -61.6 | 160.6 | 2.4 | 112.6 | F201 A246 E247 A284 L285 I286 Y290 Y291 H292 | F201-R288 HydrophobicContact CE1-CB 3.85Å; F201-R288 HydrophobicContact CZ-CB 3.99Å; A246-R288 HydrophobicContact CB-CG 4.31Å; E247-R288 VanDerWaalsContact CD-NE 3.32Å; E247-R288 IonicContact OE1-CZ 3.6Å; E247-R288 VanDerWaalsContact OE1-CZ 3.25Å; E247-R288 IonicContact OE1-NE 3.94Å; E247-R288 PolarHBondContact OE1-NE 3.36Å; E247-R288 IonicContact OE1-NH2 3.79Å; E247-R288 PolarHBondContact OE1-NH2 3.47Å; E247-R288 WeakPolarHBondContact OE2-CD 3.41Å; E247-R288 WeakPolarHBondContact OE2-CG 3.37Å; E247-R288 IonicContact OE2-CZ 3.12Å; E247-R288 IonicContact OE2-NE 3.25Å; E247-R288 PolarHBondContact OE2-NE 2.89Å; E247-R288 IonicContact OE2-NH2 2.91Å; A284-R288 VanDerWaalsContact O-CG 3.29Å; A284-R288 WeakPolarHBondContact O-CG 3.34Å; A284-R288 PolarHBondContact O-N 3.04Å; L285-R288 CarbonylContact O-C 3.15Å; L285-R288 WeakPolarHBondContact O-CA 3.38Å; L285-R288 WeakPolarHBondContact O-CB 3.22Å; L285-R288 PolarHBondContact O-N 3.35Å; L285-R288 VanDerWaalsContact O-N 3.08Å; I286-R288 VanDerWaalsContact C-N 3.27Å; I286-R288 PolarHBondContact O-N 2.88Å; R288-Y290 VanDerWaalsContact C-N 3.34Å; R288-Y290 PolarHBondContact O-N 3.05Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 2.91Å; R288-H292 PolarHBondContact NH2-NE2 3.35Å; R288-H292 PolarHBondContact O-CD2 3.35Å; R288-H292 PolarHBondContact O-N 2.99Å |
| 289 | I | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.6 | -50.1 | 172.8 | -64.7 | 169.7 | 0 | 0 | 0 | 109.7 | L198 F201 L285 I286 Y291 H292 L293 M359 L422 I425 | L198-I289 HydrophobicContact CD2-CG1 4.27Å; F201-I289 HydrophobicContact CE1-CG1 4.24Å; F201-I289 HydrophobicContact CZ-CG1 3.73Å; L285-I289 WeakPolarHBondContact O-CG1 3.32Å; L285-I289 PolarHBondContact O-N 3Å; I286-I289 PolarHBondContact O-N 3.2Å; I289-Y291 VanDerWaalsContact C-N 3.35Å; I289-Y291 PolarHBondContact O-N 3.4Å; I289-H292 PolarHBondContact O-N 3.02Å; I289-L293 HydrophobicContact CG2-CD1 3.68Å; I289-L293 HydrophobicContact CG2-CG 4.39Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 3.49Å; I289-L293 VanDerWaalsContact O-N 3.07Å; I289-M359 HydrophobicContact CD1-CE 4.35Å; I289-L422 HydrophobicContact CD1-CD1 3.64Å; I289-I425 HydrophobicContact CB-CG2 4.42Å; I289-I425 HydrophobicContact CD1-CG2 4.25Å; I289-I425 HydrophobicContact CG2-CG2 3.96Å |
| 290 | Y | 81.4 | Confident | 76.4 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 178.2 | -70.1 | -59 | 0 | 0 | 0 | 113.1 | I286 T287 R288 H292 L293 D294 I425 T433 | I286-Y290 HydrophobicContact CG2-CD2 4.01Å; I286-Y290 HydrophobicContact CG2-CE2 3.69Å; I286-Y290 VanDerWaalsContact O-CD2 3.31Å; I286-Y290 WeakPolarHBondContact O-CD2 3.3Å; I286-Y290 PolarHBondContact O-N 2.95Å; T287-Y290 PolarHBondContact O-N 3.09Å; R288-Y290 VanDerWaalsContact C-N 3.34Å; R288-Y290 PolarHBondContact O-N 3.05Å; Y290-H292 VanDerWaalsContact C-N 3.31Å; Y290-H292 PolarHBondContact O-N 3.39Å; Y290-L293 HydrophobicContact CD1-CD1 4.3Å; Y290-L293 PolarHBondContact O-N 3.27Å; Y290-D294 PolarHBondContact O-N 2.87Å; Y290-I425 HydrophobicContact CE1-CG2 4.25Å; Y290-I425 HydrophobicContact CE2-CD1 4.28Å; Y290-I425 HydrophobicContact CE2-CG2 4.14Å; Y290-T433 HydrophobicContact CE1-CG2 4.17Å |
| 291 | Y | 82.1 | Confident | 73.6 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.9 | -44.7 | 173.9 | 175.1 | -90.6 | 0 | 0 | 0 | 111.9 | T287 R288 I289 N297 | T287-Y291 WeakPolarHBondContact O-CB 3.48Å; T287-Y291 PolarHBondContact O-N 3.13Å; R288-Y291 WeakPolarHBondContact O-CB 3.49Å; R288-Y291 PolarHBondContact O-N 2.91Å; I289-Y291 VanDerWaalsContact C-N 3.35Å; I289-Y291 PolarHBondContact O-N 3.4Å; Y291-N297 VanDerWaalsContact CD2-ND2 3.25Å; Y291-N297 WeakPolarHBondContact CD2-ND2 3.3Å; Y291-N297 HydrophobicContact CE1-CB 4.16Å; Y291-N297 HydrophobicContact CE2-CB 4.36Å; Y291-N297 VanDerWaalsContact CE2-ND2 3.31Å; Y291-N297 WeakPolarHBondContact CE2-ND2 3.45Å; Y291-N297 WeakPolarHBondContact O-CB 3.46Å; Y291-N297 PolarHBondContact O-ND2 3.29Å |
| 292 | H | 75.2 | Confident | 70.4 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77 | -22.5 | 179.4 | -74.5 | -69.7 | 0 | 0 | 0 | 114 | L198 F201 E247 R288 I289 Y290 | L198-H292 HydrophobicContact CD1-CB 3.95Å; F201-H292 AromaticContact CD1-CD2 3.52Å; F201-H292 AromaticContact CD1-NE2 3.85Å; F201-H292 AromaticContact CE1-CD2 3.7Å; E247-H292 IonicContact OE1-NE2 2.75Å; E247-H292 PolarHBondContact OE1-NE2 2.94Å; R288-H292 PolarHBondContact NH2-NE2 3.35Å; R288-H292 PolarHBondContact O-CD2 3.35Å; R288-H292 PolarHBondContact O-N 2.99Å; I289-H292 PolarHBondContact O-N 3.02Å; Y290-H292 VanDerWaalsContact C-N 3.31Å; Y290-H292 PolarHBondContact O-N 3.39Å |
| 293 | L | 71.2 | Confident | 67.3 | Low | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -79.2 | -23.5 | 174.5 | -69.2 | 167.4 | 0 | 0 | 0 | 112.8 | R36 I289 Y290 P295 P429 | R36-L293 PolarHBondContact NH1-O 3.4Å; R36-L293 VanDerWaalsContact NH1-O 3.11Å; I289-L293 HydrophobicContact CG2-CD1 3.68Å; I289-L293 HydrophobicContact CG2-CG 4.39Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 3.49Å; I289-L293 VanDerWaalsContact O-N 3.07Å; Y290-L293 HydrophobicContact CD1-CD1 4.3Å; Y290-L293 PolarHBondContact O-N 3.27Å; L293-P295 WeakPolarHBondContact O-CD 2.91Å; L293-P429 HydrophobicContact CD1-CB 3.2Å; L293-P429 HydrophobicContact CD1-CG 3.49Å; L293-P429 VanDerWaalsContact CD1-CG 3.49Å; L293-P429 HydrophobicContact CD2-CG 4.07Å; L293-P429 HydrophobicContact CG-CB 4.48Å; L293-P429 HydrophobicContact CG-CG 4.42Å |
| 294 | D | 68.5 | Low | 64.4 | Low | 61 Ų | 61 | 82.5 Ų | 82.5 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -61.7 | 117.5 | 175 | -171.5 | -20.9 | 0 | 0 | 0 | 110 | Y290 N296 N297 | Y290-D294 PolarHBondContact O-N 2.87Å; D294-N296 PolarHBondContact O-N 3.24Å; D294-N296 VanDerWaalsContact O-N 3.13Å; D294-N296 WeakPolarHBondContact OD1-CB 3.38Å; D294-N296 PolarHBondContact OD1-N 3Å; D294-N296 PolarHBondContact OD1-ND2 3.37Å; D294-N297 PolarHBondContact O-N 3.06Å |
| 295 | P | 61.4 | Low | 61.3 | Low | 51 Ų | 51 | 84.4 Ų | 84.4 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -58.8 | -23.4 | 178.6 | 23.4 | -32.8 | 0 | 0 | 0 | 113.8 | L293 N297 Y298 | L293-P295 WeakPolarHBondContact O-CD 2.91Å; P295-N297 PolarHBondContact O-N 3.4Å; P295-Y298 PolarHBondContact O-N 2.93Å |
| 296 | N | 69.1 | Low | 58.3 | Low | 142 Ų | 142 | 91.6 Ų | 91.6 | 76% | 0.759 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -67.6 | -24.5 | 177 | -63 | -39.5 | 0 | 0 | 0 | 112.8 | D294 | D294-N296 PolarHBondContact O-N 3.24Å; D294-N296 VanDerWaalsContact O-N 3.13Å; D294-N296 WeakPolarHBondContact OD1-CB 3.38Å; D294-N296 PolarHBondContact OD1-N 3Å; D294-N296 PolarHBondContact OD1-ND2 3.37Å |
| 297 | N | 65 | Low | 55.5 | Low | 50 Ų | 50 | 102.5 Ų | 102.5 | 27% | 0.267 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -97.1 | 0.7 | -178.4 | -60.7 | -31.6 | 0 | 0 | 0 | 112.8 | Y291 D294 P295 V299 | Y291-N297 VanDerWaalsContact CD2-ND2 3.25Å; Y291-N297 WeakPolarHBondContact CD2-ND2 3.3Å; Y291-N297 HydrophobicContact CE1-CB 4.16Å; Y291-N297 HydrophobicContact CE2-CB 4.36Å; Y291-N297 VanDerWaalsContact CE2-ND2 3.31Å; Y291-N297 WeakPolarHBondContact CE2-ND2 3.45Å; Y291-N297 WeakPolarHBondContact O-CB 3.46Å; Y291-N297 PolarHBondContact O-ND2 3.29Å; D294-N297 PolarHBondContact O-N 3.06Å; P295-N297 PolarHBondContact O-N 3.4Å; N297-V299 PolarHBondContact O-N 3.09Å; N297-V299 VanDerWaalsContact O-N 3.13Å |
| 298 | Y | 51.7 | Low | 52.6 | Low | 143 Ų | 143 | 105.4 Ų | 105.4 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | trans | -73.7 | 105.6 | -178.3 | -168.8 | -91 | 0 | 0 | 0 | 110.7 | P295 Y300 | P295-Y298 PolarHBondContact O-N 2.93Å; Y298-Y300 HydrophobicContact CE1-CD2 4.29Å | ||
| 299 | V | 44.5 | Very low | 49.8 | Very low | 124 Ų | 124 | 108.4 Ų | 108.4 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | trans | -90.6 | 120.4 | 170.2 | -177 | 0 | 0 | 0 | 0 | 108.3 | N297 S301 | N297-V299 PolarHBondContact O-N 3.09Å; N297-V299 VanDerWaalsContact O-N 3.13Å; V299-S301 PolarHBondContact O-N 2.87Å | ||
| 300 | Y | 34.4 | Very low | 47.1 | Very low | 191 Ų | 191 | 114 Ų | 114 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | trans | -66.2 | 100.8 | 176.1 | -161.5 | -88.6 | 0 | 0 | 0 | 109.2 | Y298 S302 | Y298-Y300 HydrophobicContact CE1-CD2 4.29Å; Y300-S302 PolarHBondContact O-N 3.29Å; Y300-S302 VanDerWaalsContact O-N 3.11Å | ||
| 301 | S | 33.4 | Very low | 44.5 | Very low | 95 Ų | 95 | 116.9 Ų | 116.9 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | trans | -75.8 | 96.5 | 172.6 | 61.5 | 0 | 0 | 0 | 0 | 109.1 | V299 Q303 | V299-S301 PolarHBondContact O-N 2.87Å; S301-Q303 PolarHBondContact O-N 2.85Å | ||
| 302 | S | 28.8 | Very low | 41.9 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | trans | -72.2 | 72.7 | 169.6 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | Y300 | Y300-S302 PolarHBondContact O-N 3.29Å; Y300-S302 VanDerWaalsContact O-N 3.11Å | ||
| 303 | Q | 28.2 | Very low | 40.1 | Very low | 181 Ų | 181 | 119.3 Ų | 119.3 | 85% | 0.846 | 68% | 0.678 | S | S | * | * | trans | -134.8 | 50.2 | 169 | -68.9 | -167.1 | 11.8 | 0 | 0 | 110.5 | S301 | S301-Q303 PolarHBondContact O-N 2.85Š| ||
| 304 | T | 28.9 | Very low | 37.9 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 86% | 0.859 | 71% | 0.705 | S | S | * | * | trans | -138 | 90.6 | 161.4 | 54.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 305 | G | 26 | Very low | 35.9 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -179 | 103.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | D | 27.9 | Very low | 34.3 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 72 | 79.4 | 153.6 | -57.1 | -20.2 | 0 | 0 | 0 | 118.9 | M308 | D306-M308 PolarHBondContact O-N 2.75Š| ||
| 307 | R | 29.6 | Very low | 32.2 | Very low | 255 Ų | 255 | 128.5 Ų | 128.5 | 96% | 0.962 | 75% | 0.75 | S | S | * | * | trans | -59.1 | 88.6 | 133.6 | -78.3 | -178.3 | 176.7 | -179.9 | -0.6 | 108.7 | ||||
| 308 | M | 26.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -146.4 | 103.7 | 158.1 | -88.7 | -110.3 | -137.1 | 0 | 0 | 110 | D306 | D306-M308 PolarHBondContact O-N 2.75Š| ||
| 309 | T | 27.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 52.7 | 92.8 | 146.5 | 55.1 | 0 | 0 | 0 | 0 | 118.5 | S311 | T309-S311 PolarHBondContact O-N 3.21Š| ||
| 310 | S | 27.5 | Very low | 28 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -9.5 | 116.9 | 137.9 | 55.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 311 | S | 25.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -177.9 | 122.1 | 131.8 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | T309 | T309-S311 PolarHBondContact O-N 3.21Š| ||
| 312 | G | 28.8 | Very low | 27 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 153.1 | 107.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 313 | P | 36.9 | Very low | 26.7 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -98.8 | 164 | -162.9 | 37.2 | -33.7 | 0 | 0 | 0 | 115.4 | ||||
| 314 | S | 25.9 | Very low | 26.6 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 66.7 | 84.1 | 151.1 | 62.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 315 | G | 26.6 | Very low | 26.4 | Very low | 76 Ų | 76 | 138.4 Ų | 138.4 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -135.1 | 83 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108 | H317 | G315-H317 PolarHBondContact O-N 3.07Å; G315-H317 VanDerWaalsContact O-N 3.14Å | ||
| 316 | T | 25.8 | Very low | 26.3 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -65.1 | 101.5 | -177 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 317 | H | 25 | Very low | 26.3 | Very low | 180 Ų | 180 | 141 Ų | 141 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -106.5 | 97.8 | 151 | -89.3 | -69.1 | 0 | 0 | 0 | 107.5 | G315 I319 | G315-H317 PolarHBondContact O-N 3.07Å; G315-H317 VanDerWaalsContact O-N 3.14Å; H317-I319 PolarHBondContact O-N 3.43Å | ||
| 318 | E | 24.6 | Very low | 26 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 94.5 | 173.4 | -65.7 | 174.2 | 159.1 | 0 | 0 | 109 | E320 | E318-E320 PolarHBondContact O-N 2.84Š| ||
| 319 | I | 27.4 | Very low | 25.9 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -86.4 | 97.7 | 159.2 | -62.5 | 177.2 | 0 | 0 | 0 | 105.2 | H317 Q321 | H317-I319 PolarHBondContact O-N 3.43Å; I319-Q321 PolarHBondContact O-N 2.79Å | ||
| 320 | E | 22.9 | Very low | 25.7 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -48.7 | 100.4 | 176.1 | -68.6 | 177.8 | 145 | 0 | 0 | 111.1 | E318 I322 | E318-E320 PolarHBondContact O-N 2.84Å; E320-I322 VanDerWaalsContact C-N 3.31Å; E320-I322 HydrophobicContact CB-CG1 4.2Å; E320-I322 PolarHBondContact O-N 3.44Å | ||
| 321 | Q | 23.5 | Very low | 25.7 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -75.1 | 85.4 | 168 | -73.9 | -177.4 | -11.5 | 0 | 0 | 108.7 | I319 F323 | I319-Q321 PolarHBondContact O-N 2.79Å; Q321-F323 HydrophobicContact CB-CD2 4.5Å; Q321-F323 PolarHBondContact O-N 2.95Å; Q321-F323 VanDerWaalsContact O-N 3.11Å | ||
| 322 | I | 23 | Very low | 25.8 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 54% | 0.544 | 77% | 0.774 | S | S | . | * | trans | -77.2 | 95.5 | 175.1 | -58 | 174.6 | 0 | 0 | 0 | 108.8 | E320 F324 | E320-I322 VanDerWaalsContact C-N 3.31Å; E320-I322 HydrophobicContact CB-CG1 4.2Å; E320-I322 PolarHBondContact O-N 3.44Å; I322-F324 HydrophobicContact CB-CE2 4.33Å; I322-F324 HydrophobicContact CG2-CD2 3.92Å; I322-F324 HydrophobicContact CG2-CE1 4.29Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CG 4.47Å; I322-F324 HydrophobicContact CG2-CZ 3.72Å; I322-F324 PolarHBondContact O-N 3.42Å | ||
| 323 | F | 22.2 | Very low | 26.2 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 109.8 | 165.4 | -86.9 | -94.9 | 0 | 0 | 0 | 109.3 | Q321 T325 | Q321-F323 HydrophobicContact CB-CD2 4.5Å; Q321-F323 PolarHBondContact O-N 2.95Å; Q321-F323 VanDerWaalsContact O-N 3.11Å; F323-T325 PolarHBondContact O-N 3.08Å | ||
| 324 | F | 26.3 | Very low | 25.7 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | -80 | 105.6 | 174.9 | -78.3 | -83.4 | 0 | 0 | 0 | 110.7 | I322 | I322-F324 HydrophobicContact CB-CE2 4.33Å; I322-F324 HydrophobicContact CG2-CD2 3.92Å; I322-F324 HydrophobicContact CG2-CE1 4.29Å; I322-F324 HydrophobicContact CG2-CE2 3.51Å; I322-F324 HydrophobicContact CG2-CG 4.47Å; I322-F324 HydrophobicContact CG2-CZ 3.72Å; I322-F324 PolarHBondContact O-N 3.42Å | ||
| 325 | T | 24.2 | Very low | 25.6 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -78.4 | 139.3 | 168 | 38.1 | 0 | 0 | 0 | 0 | 111.3 | F323 | F323-T325 PolarHBondContact O-N 3.08Š| ||
| 326 | S | 23.3 | Very low | 25.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -29.6 | 120.7 | 170.8 | 50.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 327 | I | 27.6 | Very low | 25.2 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -81 | 117.3 | 163.1 | -67 | 173.8 | 0 | 0 | 0 | 107.9 | D329 | I327-D329 PolarHBondContact O-N 3.41Š| ||
| 328 | N | 25 | Very low | 25.2 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -54.1 | 120.1 | 177.1 | -80.3 | -32.7 | 0 | 0 | 0 | 112.7 | S330 | N328-S330 PolarHBondContact O-N 3.08Š| ||
| 329 | D | 22.8 | Very low | 25.2 | Very low | 174 Ų | 174 | 138 Ų | 138 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 115.6 | 159.1 | -95.3 | -30.5 | 0 | 0 | 0 | 109.4 | I327 | I327-D329 PolarHBondContact O-N 3.41Š| ||
| 330 | S | 25.6 | Very low | 25.2 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -105.9 | 116.5 | 170.4 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | N328 | N328-S330 PolarHBondContact O-N 3.08Š| ||
| 331 | T | 25.6 | Very low | 25.5 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 70.2 | 96.6 | 143.1 | 64 | 0 | 0 | 0 | 0 | 119 | ||||
| 332 | K | 29.1 | Very low | 25.9 | Very low | 201 Ų | 201 | 130.8 Ų | 130.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | 171.9 | 147.1 | 96.5 | -92 | 171.9 | -176.3 | 175.8 | 0 | 111.4 | |||||
| 333 | P | 36.5 | Very low | 26.3 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -95.9 | 133.6 | -161.8 | 35.5 | -29.3 | 0 | 0 | 0 | 112.5 | ||||
| 334 | S | 25.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -138.7 | 116.8 | 154.2 | 60.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 335 | I | 24.3 | Very low | 27.4 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | trans | -64.1 | 121.6 | -178.1 | -65.9 | 156.2 | 0 | 0 | 0 | 110.2 | ||||
| 336 | C | 22 | Very low | 28 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 177.8 | 112.4 | 130.4 | -108.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 337 | G | 22.8 | Very low | 29 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -73.6 | 137.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 338 | S | 24.8 | Very low | 30.1 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -149.1 | 118.6 | 150.4 | 64.5 | 0 | 0 | 0 | 0 | 107.4 | T340 | S338-T340 PolarHBondContact O-N 2.99Š| ||
| 339 | A | 24.4 | Very low | 31.3 | Very low | 107 Ų | 107 | 124 Ų | 124 | 88% | 0.884 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 113.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 340 | T | 26.5 | Very low | 32.7 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -104.7 | 119 | 159.3 | 39.3 | 0 | 0 | 0 | 0 | 108.4 | S338 G342 | S338-T340 PolarHBondContact O-N 2.99Å; T340-G342 PolarHBondContact O-N 3.5Å | ||
| 341 | P | 29.6 | Very low | 34.1 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | -72.2 | 113.8 | 175.1 | 12.5 | -1.8 | 0 | 0 | 0 | 108.9 | ||||
| 342 | G | 32.3 | Very low | 35.7 | Very low | 69 Ų | 69 | 115.4 Ų | 115.4 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | -74.1 | 123 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T340 R344 | T340-G342 PolarHBondContact O-N 3.5Å; G342-R344 PolarHBondContact O-N 3.17Å | ||
| 343 | T | 32.6 | Very low | 37 | Very low | 124 Ų | 124 | 111.2 Ų | 111.2 | 76% | 0.761 | 66% | 0.656 | S | S | * | * | trans | -47.9 | 112.7 | 168.5 | 23 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 344 | R | 32.5 | Very low | 38.2 | Very low | 239 Ų | 239 | 112.9 Ų | 112.9 | 90% | 0.902 | 65% | 0.651 | S | S | * | * | trans | -99.9 | 112.4 | 168.4 | -84 | -179 | 171.7 | 179.1 | -2.4 | 108.7 | G342 | G342-R344 PolarHBondContact O-N 3.17Š| ||
| 345 | V | 39.1 | Very low | 40.2 | Very low | 69 Ų | 69 | 112.2 Ų | 112.2 | 42% | 0.418 | 63% | 0.634 | S | S | . | * | trans | -107.4 | 87.2 | 172.6 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | Y347 | V345-Y347 HydrophobicContact CG1-CD2 4.5Å; V345-Y347 HydrophobicContact CG1-CE2 4.04Å | ||
| 346 | Q | 36 | Very low | 42.8 | Very low | 167 Ų | 167 | 105.4 Ų | 105.4 | 78% | 0.78 | 60% | 0.601 | S | S | * | * | trans | -150.1 | 103.4 | 168.3 | -162.4 | 173.1 | 4.7 | 0 | 0 | 107.6 | ||||
| 347 | Y | 44 | Very low | 45.7 | Very low | 56 Ų | 56 | 101.2 Ų | 101.2 | 22% | 0.22 | 57% | 0.569 | C | S | . | * | trans | -104.8 | 120.3 | -178.3 | -57.1 | -80.5 | 0 | 0 | 0 | 110.2 | D254 V345 V352 Q355 | D254-Y347 PolarHBondContact OD2-OH 3.33Å; V345-Y347 HydrophobicContact CG1-CD2 4.5Å; V345-Y347 HydrophobicContact CG1-CE2 4.04Å; Y347-V352 VanDerWaalsContact CB-CG2 3.49Å; Y347-V352 HydrophobicContact CD1-CG2 4.38Å; Y347-V352 HydrophobicContact CG-CG2 4.07Å; Y347-Q355 VanDerWaalsContact CE1-OE1 3.29Å | ||
| 348 | S | 50.9 | Low | 48.7 | Very low | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | trans | -74.5 | 158.5 | 156.8 | 76.2 | 0 | 0 | 0 | 0 | 109.5 | E350 D351 V352 | S348-E350 PolarHBondContact O-N 3.47Å; S348-D351 VanDerWaalsContact CB-OD2 3.3Å; S348-D351 WeakPolarHBondContact CB-OD2 3.44Å; S348-D351 PolarHBondContact N-OD2 3.34Å; S348-D351 PolarHBondContact O-N 2.65Å; S348-D351 PolarHBondContact OG-N 2.92Å; S348-D351 VanDerWaalsContact OG-N 3.17Å; S348-D351 PolarHBondContact OG-OD2 3.31Å; S348-V352 WeakPolarHBondContact O-CG2 3.45Å; S348-V352 PolarHBondContact O-N 3.08Å | ||
| 349 | Y | 50.7 | Low | 51.7 | Low | 141 Ų | 141 | 92.4 Ų | 92.4 | 55% | 0.553 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.8 | -36.1 | 177.6 | -174.1 | -91.7 | 0 | 0 | 0 | 112.2 | T203 Q353 | T203-Y349 HydrophobicContact CG2-CD2 4.33Å; T203-Y349 HydrophobicContact CG2-CE2 3.81Å; T203-Y349 PolarHBondContact OG1-OH 3.43Å; Y349-Q353 PolarHBondContact O-N 3.26Å |
| 350 | E | 52 | Low | 54.8 | Low | 131 Ų | 131 | 88.1 Ų | 88.1 | 61% | 0.612 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.9 | -34.1 | 174.9 | -67.7 | -172.2 | 179.4 | 0 | 0 | 112.6 | S348 K354 | S348-E350 PolarHBondContact O-N 3.47Å; E350-K354 WeakPolarHBondContact O-CG 3.43Å; E350-K354 PolarHBondContact O-N 3.03Å |
| 351 | D | 55.4 | Low | 57.7 | Low | 63 Ų | 63 | 84.3 Ų | 84.3 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.1 | -38.4 | 177.5 | -62.5 | -41 | 0 | 0 | 0 | 111.7 | S348 Q353 K354 Q355 | S348-D351 VanDerWaalsContact CB-OD2 3.3Å; S348-D351 WeakPolarHBondContact CB-OD2 3.44Å; S348-D351 PolarHBondContact N-OD2 3.34Å; S348-D351 PolarHBondContact O-N 2.65Å; S348-D351 PolarHBondContact OG-N 2.92Å; S348-D351 VanDerWaalsContact OG-N 3.17Å; S348-D351 PolarHBondContact OG-OD2 3.31Å; D351-Q353 VanDerWaalsContact C-N 3.3Å; D351-Q353 PolarHBondContact O-N 3.4Å; D351-K354 PolarHBondContact O-N 3.08Å; D351-Q355 WeakPolarHBondContact O-CB 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.31Å; D351-Q355 PolarHBondContact O-N 3.5Å |
| 352 | V | 57.5 | Low | 60.7 | Low | 18 Ų | 18 | 78 Ų | 78 | 11% | 0.109 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | T203 Q251 Y347 S348 S356 | T203-V352 HydrophobicContact CG2-CG1 4.33Å; Q251-V352 HydrophobicContact CB-CG1 4.04Å; Y347-V352 VanDerWaalsContact CB-CG2 3.49Å; Y347-V352 HydrophobicContact CD1-CG2 4.38Å; Y347-V352 HydrophobicContact CG-CG2 4.07Å; S348-V352 WeakPolarHBondContact O-CG2 3.45Å; S348-V352 PolarHBondContact O-N 3.08Å; V352-S356 WeakPolarHBondContact O-CB 3.35Å; V352-S356 PolarHBondContact O-N 3.39Å; V352-S356 VanDerWaalsContact O-N 3.07Å |
| 353 | Q | 57.4 | Low | 63.7 | Low | 113 Ų | 113 | 74.7 Ų | 74.7 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.4 | -36.5 | 178.6 | -80.1 | -171.3 | -21.2 | 0 | 0 | 113.2 | Y349 D351 Q355 S356 | Y349-Q353 PolarHBondContact O-N 3.26Å; D351-Q353 VanDerWaalsContact C-N 3.3Å; D351-Q353 PolarHBondContact O-N 3.4Å; Q353-Q355 VanDerWaalsContact C-N 3.3Å; Q353-Q355 PolarHBondContact O-N 3.04Å; Q353-S356 PolarHBondContact O-OG 3.46Å; Q353-S356 VanDerWaalsContact O-OG 3.09Å |
| 354 | K | 61.8 | Low | 66.6 | Low | 162 Ų | 162 | 68.8 Ų | 68.8 | 70% | 0.704 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71 | -26.9 | 178.8 | -76.3 | 176 | -175.8 | 164.3 | 0 | 113.1 | E350 D351 | E350-K354 WeakPolarHBondContact O-CG 3.43Å; E350-K354 PolarHBondContact O-N 3.03Å; D351-K354 PolarHBondContact O-N 3.08Å |
| 355 | Q | 67.9 | Low | 69.5 | Low | 104 Ų | 104 | 59.8 Ų | 59.8 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -98.2 | -13.2 | -178 | -67.7 | 178.6 | -6.4 | 0 | 0 | 113.3 | T253 Y347 D351 Q353 | T253-Q355 WeakPolarHBondContact CG2-O 3.48Å; Y347-Q355 VanDerWaalsContact CE1-OE1 3.29Å; D351-Q355 WeakPolarHBondContact O-CB 3.32Å; D351-Q355 WeakPolarHBondContact O-CG 3.31Å; D351-Q355 PolarHBondContact O-N 3.5Å; Q353-Q355 VanDerWaalsContact C-N 3.3Å; Q353-Q355 PolarHBondContact O-N 3.04Å |
| 356 | S | 78.9 | Confident | 72.1 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -67 | 139.6 | -177.4 | 61 | 0 | 0 | 0 | 0 | 113 | L250 V352 Q353 S358 | L250-S356 WeakPolarHBondContact O-CA 3.37Å; V352-S356 WeakPolarHBondContact O-CB 3.35Å; V352-S356 PolarHBondContact O-N 3.39Å; V352-S356 VanDerWaalsContact O-N 3.07Å; Q353-S356 PolarHBondContact O-OG 3.46Å; Q353-S356 VanDerWaalsContact O-OG 3.09Å; S356-S358 PolarHBondContact O-N 3.47Å |
| 357 | Y | 82.7 | Confident | 74.9 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 129.9 | 168.3 | -82.6 | -67.5 | 0 | 0 | 0 | 111 | L250 T253 I256 D361 F362 Q365 | L250-Y357 PolarHBondContact O-N 3.35Å; T253-Y357 HydrophobicContact CG2-CD2 3.37Å; T253-Y357 HydrophobicContact CG2-CE2 3.55Å; T253-Y357 HydrophobicContact CG2-CG 4.18Å; I256-Y357 HydrophobicContact CB-CD2 4.44Å; I256-Y357 HydrophobicContact CB-CE2 4Å; I256-Y357 HydrophobicContact CD1-CD2 4.02Å; I256-Y357 HydrophobicContact CD1-CE2 4.43Å; I256-Y357 HydrophobicContact CG2-CD2 4.25Å; I256-Y357 HydrophobicContact CG2-CE2 3.71Å; Y357-D361 HydrophobicContact CD1-CB 4.14Å; Y357-F362 HydrophobicContact CD1-CB 4.39Å; Y357-F362 HydrophobicContact CG-CB 4.27Å; Y357-Q365 PolarHBondContact OH-OE1 3.34Å |
| 358 | S | 85.6 | Confident | 77.3 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 153.9 | 156.7 | 83.9 | 0 | 0 | 0 | 0 | 109.4 | S356 L360 D361 F362 | S356-S358 PolarHBondContact O-N 3.47Å; S358-L360 PolarHBondContact O-N 3.39Å; S358-L360 PolarHBondContact OG-N 2.88Å; S358-D361 WeakPolarHBondContact CB-OD2 3.47Å; S358-D361 PolarHBondContact O-N 3.31Å; S358-D361 PolarHBondContact OG-N 3.43Å; S358-D361 VanDerWaalsContact OG-N 3.07Å; S358-D361 PolarHBondContact OG-OD2 2.65Å; S358-F362 WeakPolarHBondContact O-CB 3.46Å; S358-F362 PolarHBondContact O-N 3.34Å |
| 359 | M | 87.7 | Confident | 79.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -34 | 177.1 | -170.9 | 60.6 | 69.2 | 0 | 0 | 112.2 | L199 F201 L250 I289 F362 C363 L422 S426 | L199-M359 PolarHBondContact O-N 3.14Å; F201-M359 HydrophobicContact CD2-CE 4.23Å; F201-M359 HydrophobicContact CE2-CE 3.36Å; F201-M359 HydrophobicContact CZ-CE 4.01Å; L250-M359 HydrophobicContact CD1-CE 3.91Å; I289-M359 HydrophobicContact CD1-CE 4.35Å; M359-F362 HydrophobicContact SD-CD1 4.43Å; M359-C363 WeakPolarHBondContact O-CB 3.28Å; M359-C363 PolarHBondContact O-N 3.33Å; M359-C363 VanDerWaalsContact O-N 3.09Å; M359-C363 PolarHBondContact O-SG 3.45Å; M359-L422 HydrophobicContact CE-CD1 4.1Å; M359-L422 HydrophobicContact SD-CD1 3.8Å; M359-L422 HydrophobicContact SD-CD2 3.77Å; M359-L422 HydrophobicContact SD-CG 3.64Å; M359-S426 WeakPolarHBondContact CG-OG 3.41Å |
| 360 | L | 89 | Confident | 81.3 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -52.3 | 176.7 | -80.7 | 161.2 | 0 | 0 | 0 | 111.4 | L199 S358 F362 C363 F364 L423 L427 I466 | L199-L360 HydrophobicContact CD1-CD1 4.39Å; L199-L360 HydrophobicContact CD2-CD1 3.49Å; L199-L360 VanDerWaalsContact CD2-CD1 3.49Å; L199-L360 HydrophobicContact CD2-CG 3.86Å; S358-L360 PolarHBondContact O-N 3.39Å; S358-L360 PolarHBondContact OG-N 2.88Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 2.96Å; L360-C363 PolarHBondContact O-N 3.26Å; L360-F364 HydrophobicContact CD2-CE2 3.79Å; L360-F364 WeakPolarHBondContact O-CD2 3.48Å; L360-F364 PolarHBondContact O-N 2.88Å; L360-L423 HydrophobicContact CD2-CD1 3.65Å; L360-L423 HydrophobicContact CG-CD1 4.47Å; L360-L427 HydrophobicContact CD2-CD2 4.33Å; L360-I466 HydrophobicContact CD2-CD1 3.68Å |
| 361 | D | 88.7 | Confident | 83.2 | Confident | 47 Ų | 47 | 32.4 Ų | 32.4 | 25% | 0.251 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.4 | -44.3 | -178.9 | -59.8 | -39.9 | 0 | 0 | 0 | 110.7 | Y357 S358 C363 F364 Q365 P472 | Y357-D361 HydrophobicContact CD1-CB 4.14Å; S358-D361 WeakPolarHBondContact CB-OD2 3.47Å; S358-D361 PolarHBondContact O-N 3.31Å; S358-D361 PolarHBondContact OG-N 3.43Å; S358-D361 VanDerWaalsContact OG-N 3.07Å; S358-D361 PolarHBondContact OG-OD2 2.65Å; D361-C363 PolarHBondContact O-N 3.4Å; D361-F364 PolarHBondContact O-N 3.17Å; D361-Q365 VanDerWaalsContact O-CB 3.29Å; D361-Q365 WeakPolarHBondContact O-CB 3.43Å; D361-Q365 PolarHBondContact O-N 2.88Å; D361-P472 WeakPolarHBondContact OD1-CB 3.39Å |
| 362 | F | 92.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 175.4 | 172.2 | -106 | 0 | 0 | 0 | 112 | L250 I256 F260 F281 L285 Y357 S358 M359 L360 L366 L422 | L250-F362 HydrophobicContact CD2-CB 3.83Å; L250-F362 HydrophobicContact CD2-CD1 4.03Å; L250-F362 HydrophobicContact CD2-CD2 3.69Å; L250-F362 HydrophobicContact CD2-CE2 4.28Å; L250-F362 HydrophobicContact CD2-CG 3.55Å; I256-F362 HydrophobicContact CD1-CD2 3.96Å; I256-F362 HydrophobicContact CD1-CE2 3.91Å; I256-F362 HydrophobicContact CG1-CE2 4.44Å; I256-F362 HydrophobicContact CG2-CD2 3.98Å; I256-F362 HydrophobicContact CG2-CE2 3.86Å; F260-F362 HydrophobicContact CE1-CE2 4.33Å; F260-F362 HydrophobicContact CE2-CD2 4.48Å; F260-F362 AromaticContact CZ-CD2 3.96Å; F260-F362 HydrophobicContact CZ-CD2 3.96Å; F260-F362 AromaticContact CZ-CE2 3.68Å; F260-F362 HydrophobicContact CZ-CE2 3.68Å; F281-F362 HydrophobicContact CD1-CE2 4.38Å; F281-F362 AromaticContact CD1-CZ 3.84Å; F281-F362 HydrophobicContact CD1-CZ 3.84Å; F281-F362 HydrophobicContact CE1-CE1 4.32Å; F281-F362 AromaticContact CE1-CE2 3.81Å; F281-F362 HydrophobicContact CE1-CE2 3.81Å; F281-F362 AromaticContact CE1-CZ 3.56Å; F281-F362 HydrophobicContact CE1-CZ 3.56Å; L285-F362 HydrophobicContact CD1-CD1 4.47Å; L285-F362 HydrophobicContact CD1-CE1 3.98Å; L285-F362 HydrophobicContact CD1-CZ 4.47Å; Y357-F362 HydrophobicContact CD1-CB 4.39Å; Y357-F362 HydrophobicContact CG-CB 4.27Å; S358-F362 WeakPolarHBondContact O-CB 3.46Å; S358-F362 PolarHBondContact O-N 3.34Å; M359-F362 HydrophobicContact SD-CD1 4.43Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 2.96Å; F362-L366 HydrophobicContact CE1-CD2 4.22Å; F362-L366 HydrophobicContact CZ-CD2 4.27Å; F362-L366 WeakPolarHBondContact O-CB 3.34Å; F362-L366 PolarHBondContact O-N 3.12Å; F362-L422 HydrophobicContact CD1-CD2 4.04Å; F362-L422 HydrophobicContact CE1-CD2 3.67Å |
| 363 | C | 94.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | -176.8 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | M359 L360 D361 L366 F367 L423 | M359-C363 WeakPolarHBondContact O-CB 3.28Å; M359-C363 PolarHBondContact O-N 3.33Å; M359-C363 VanDerWaalsContact O-N 3.09Å; M359-C363 PolarHBondContact O-SG 3.45Å; L360-C363 PolarHBondContact O-N 3.26Å; D361-C363 PolarHBondContact O-N 3.4Å; C363-L366 WeakPolarHBondContact O-CB 3.38Å; C363-L366 PolarHBondContact O-N 2.9Å; C363-F367 HydrophobicContact CB-CE2 4.26Å; C363-F367 HydrophobicContact CB-CZ 4.16Å; C363-F367 WeakPolarHBondContact O-CD1 3.34Å; C363-F367 VanDerWaalsContact O-CD2 3.27Å; C363-F367 WeakPolarHBondContact O-CD2 3.05Å; C363-F367 WeakPolarHBondContact O-CG 3.45Å; C363-F367 PolarHBondContact O-N 3.03Å; C363-L423 HydrophobicContact CB-CB 4.11Å; C363-L423 HydrophobicContact CB-CD1 4.12Å |
| 364 | F | 94.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.7 | -35.6 | 179.6 | -71.9 | -60.8 | 0 | 0 | 0 | 112.7 | L360 D361 F367 N368 L423 P472 D474 F475 C478 L544 | L360-F364 HydrophobicContact CD2-CE2 3.79Å; L360-F364 WeakPolarHBondContact O-CD2 3.48Å; L360-F364 PolarHBondContact O-N 2.88Å; D361-F364 PolarHBondContact O-N 3.17Å; F364-F367 AromaticContact CD1-CD2 3.89Å; F364-F367 HydrophobicContact CD1-CD2 3.89Å; F364-F367 HydrophobicContact CD1-CE2 4.29Å; F364-F367 HydrophobicContact CE1-CD2 4.29Å; F364-F367 HydrophobicContact CE1-CE2 4.33Å; F364-F367 PolarHBondContact O-N 3.41Å; F364-N368 WeakPolarHBondContact O-CB 3.35Å; F364-N368 PolarHBondContact O-N 3Å; F364-L423 HydrophobicContact CE1-CD2 4.36Å; F364-L423 HydrophobicContact CZ-CD2 4.03Å; F364-P472 HydrophobicContact CD2-CG 3.64Å; F364-P472 HydrophobicContact CE2-CG 4.1Å; F364-D474 HydrophobicContact CB-CB 4.28Å; F364-F475 HydrophobicContact CD1-CB 4.49Å; F364-F475 HydrophobicContact CD1-CD2 4.1Å; F364-F475 HydrophobicContact CD2-CB 4.41Å; F364-F475 AromaticContact CE1-CD2 3.51Å; F364-F475 HydrophobicContact CE1-CD2 3.51Å; F364-F475 HydrophobicContact CE1-CE2 4.2Å; F364-F475 HydrophobicContact CE2-CB 4.48Å; F364-F475 HydrophobicContact CE2-CD2 4.25Å; F364-F475 HydrophobicContact CG-CB 4.43Å; F364-F475 AromaticContact CZ-CD2 3.6Å; F364-F475 HydrophobicContact CZ-CD2 3.6Å; F364-F475 HydrophobicContact CZ-CE2 4.34Å; F364-C478 HydrophobicContact CD1-CB 4.46Å; F364-L544 HydrophobicContact CZ-CD1 4.45Å |
| 365 | Q | 92.1 | Very high | 89.4 | Confident | 49 Ų | 49 | 19.2 Ų | 19.2 | 23% | 0.229 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 171.5 | -166.3 | 177.1 | 11.8 | 0 | 0 | 111.5 | F260 Y357 D361 F367 N368 V369 | F260-Q365 HydrophobicContact CD2-CG 3.77Å; F260-Q365 HydrophobicContact CE2-CB 3.93Å; F260-Q365 HydrophobicContact CE2-CG 3.66Å; Y357-Q365 PolarHBondContact OH-OE1 3.34Å; D361-Q365 VanDerWaalsContact O-CB 3.29Å; D361-Q365 WeakPolarHBondContact O-CB 3.43Å; D361-Q365 PolarHBondContact O-N 2.88Å; Q365-F367 VanDerWaalsContact C-N 3.34Å; Q365-F367 PolarHBondContact O-N 3.39Å; Q365-N368 WeakPolarHBondContact O-CB 3.16Å; Q365-N368 PolarHBondContact O-N 3.41Å; Q365-V369 VanDerWaalsContact O-CG2 3.27Å; Q365-V369 WeakPolarHBondContact O-CG2 3.34Å; Q365-V369 PolarHBondContact O-N 3.39Å |
| 366 | L | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.3 | -47 | 173.4 | 174.7 | 66.4 | 0 | 0 | 0 | 111.1 | F260 L278 F362 C363 N368 V369 I370 L415 | F260-L366 HydrophobicContact CE1-CB 4.32Å; F260-L366 HydrophobicContact CE1-CD1 3.85Å; F260-L366 HydrophobicContact CZ-CB 3.98Å; F260-L366 HydrophobicContact CZ-CD1 4.34Å; L278-L366 HydrophobicContact CD1-CD1 4.3Å; F362-L366 HydrophobicContact CE1-CD2 4.22Å; F362-L366 HydrophobicContact CZ-CD2 4.27Å; F362-L366 WeakPolarHBondContact O-CB 3.34Å; F362-L366 PolarHBondContact O-N 3.12Å; C363-L366 WeakPolarHBondContact O-CB 3.38Å; C363-L366 PolarHBondContact O-N 2.9Å; L366-N368 PolarHBondContact O-N 3.48Å; L366-V369 PolarHBondContact O-N 3.11Å; L366-I370 HydrophobicContact CD1-CD1 4.2Å; L366-I370 HydrophobicContact CD1-CG1 4.35Å; L366-I370 HydrophobicContact CG-CD1 3.91Å; L366-I370 HydrophobicContact CG-CG1 4.49Å; L366-I370 VanDerWaalsContact O-CG1 3.24Å; L366-I370 WeakPolarHBondContact O-CG1 3.26Å; L366-I370 PolarHBondContact O-N 3.13Å; L366-L415 HydrophobicContact CD1-CD1 4.26Å; L366-L415 HydrophobicContact CD1-CD2 4.15Å; L366-L415 HydrophobicContact CD1-CG 4.31Å; L366-L415 HydrophobicContact CD2-CD1 4.44Å |
| 367 | F | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.8 | -59.9 | -22.3 | 0 | 0 | 0 | 112.5 | C363 F364 Q365 V369 I370 A371 F416 I420 L423 C478 L540 | C363-F367 HydrophobicContact CB-CE2 4.26Å; C363-F367 HydrophobicContact CB-CZ 4.16Å; C363-F367 WeakPolarHBondContact O-CD1 3.34Å; C363-F367 VanDerWaalsContact O-CD2 3.27Å; C363-F367 WeakPolarHBondContact O-CD2 3.05Å; C363-F367 WeakPolarHBondContact O-CG 3.45Å; C363-F367 PolarHBondContact O-N 3.03Å; F364-F367 AromaticContact CD1-CD2 3.89Å; F364-F367 HydrophobicContact CD1-CD2 3.89Å; F364-F367 HydrophobicContact CD1-CE2 4.29Å; F364-F367 HydrophobicContact CE1-CD2 4.29Å; F364-F367 HydrophobicContact CE1-CE2 4.33Å; F364-F367 PolarHBondContact O-N 3.41Å; Q365-F367 VanDerWaalsContact C-N 3.34Å; Q365-F367 PolarHBondContact O-N 3.39Å; F367-V369 VanDerWaalsContact C-N 3.34Å; F367-V369 PolarHBondContact O-N 3.09Å; F367-I370 HydrophobicContact CD1-CD1 4.3Å; F367-I370 PolarHBondContact O-N 3.08Å; F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.02Å; F367-A371 PolarHBondContact O-N 3.27Å; F367-F416 HydrophobicContact CB-CE2 4.19Å; F367-F416 AromaticContact CD1-CD2 3.49Å; F367-F416 HydrophobicContact CD1-CD2 3.49Å; F367-F416 VanDerWaalsContact CD1-CD2 3.49Å; F367-F416 AromaticContact CD1-CE2 3.53Å; F367-F416 HydrophobicContact CD1-CE2 3.53Å; F367-F416 HydrophobicContact CD2-CE2 4.26Å; F367-F416 AromaticContact CE1-CD2 3.78Å; F367-F416 HydrophobicContact CE1-CD2 3.78Å; F367-F416 AromaticContact CE1-CE2 3.92Å; F367-F416 HydrophobicContact CE1-CE2 3.92Å; F367-F416 HydrophobicContact CG-CD2 4.16Å; F367-F416 AromaticContact CG-CE2 3.73Å; F367-F416 HydrophobicContact CG-CE2 3.73Å; F367-F416 HydrophobicContact CZ-CE2 4.47Å; F367-I420 HydrophobicContact CE1-CG1 4.07Å; F367-I420 HydrophobicContact CZ-CB 4.49Å; F367-I420 HydrophobicContact CZ-CG1 3.82Å; F367-L423 HydrophobicContact CE2-CD2 3.98Å; F367-L423 HydrophobicContact CZ-CD2 4.39Å; F367-C478 WeakPolarHBondContact CB-SG 3.47Å; F367-L540 HydrophobicContact CD2-CD2 4.27Å; F367-L540 HydrophobicContact CE2-CD1 4.32Å; F367-L540 HydrophobicContact CE2-CD2 4.1Å |
| 368 | N | 92.7 | Very high | 91 | Very high | 34 Ų | 34 | 14.1 Ų | 14.1 | 18% | 0.182 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 174.4 | -174.7 | 27.2 | 0 | 0 | 0 | 112.4 | F364 Q365 L366 A371 N372 C478 Q481 | F364-N368 WeakPolarHBondContact O-CB 3.35Å; F364-N368 PolarHBondContact O-N 3Å; Q365-N368 WeakPolarHBondContact O-CB 3.16Å; Q365-N368 PolarHBondContact O-N 3.41Å; L366-N368 PolarHBondContact O-N 3.48Å; N368-A371 VanDerWaalsContact O-CB 3.3Å; N368-A371 WeakPolarHBondContact O-CB 3.44Å; N368-A371 PolarHBondContact O-N 3.09Å; N368-N372 PolarHBondContact O-N 3.25Å; N368-N372 PolarHBondContact O-ND2 2.94Å; N368-N372 VanDerWaalsContact O-ND2 3.08Å; N368-C478 HydrophobicContact CB-CB 4.36Å; N368-Q481 WeakPolarHBondContact OD1-CG 3.43Å |
| 369 | V | 92 | Very high | 91 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -74.3 | -38.5 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | F260 L263 Q365 L366 F367 A371 N372 G373 | F260-V369 HydrophobicContact CB-CG1 4.42Å; F260-V369 HydrophobicContact CB-CG2 3.9Å; F260-V369 HydrophobicContact CD1-CB 4.45Å; F260-V369 HydrophobicContact CD1-CG1 4.39Å; F260-V369 HydrophobicContact CD1-CG2 4.24Å; F260-V369 HydrophobicContact CD2-CG2 4.24Å; F260-V369 HydrophobicContact CG-CG2 3.88Å; L263-V369 HydrophobicContact CB-CG1 3.34Å; L263-V369 HydrophobicContact CD1-CB 4.47Å; L263-V369 HydrophobicContact CD1-CG1 3.4Å; L263-V369 HydrophobicContact CG-CG1 3.98Å; Q365-V369 VanDerWaalsContact O-CG2 3.27Å; Q365-V369 WeakPolarHBondContact O-CG2 3.34Å; Q365-V369 PolarHBondContact O-N 3.39Å; L366-V369 PolarHBondContact O-N 3.11Å; F367-V369 VanDerWaalsContact C-N 3.34Å; F367-V369 PolarHBondContact O-N 3.09Å; V369-A371 PolarHBondContact O-N 2.92Å; V369-N372 PolarHBondContact O-N 3.16Å; V369-G373 PolarHBondContact O-N 2.99Å |
| 370 | I | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.1 | -44.3 | 170.2 | -71.3 | 165.1 | 0 | 0 | 0 | 110 | L366 F367 G373 L374 F412 L415 F416 | L366-I370 HydrophobicContact CD1-CD1 4.2Å; L366-I370 HydrophobicContact CD1-CG1 4.35Å; L366-I370 HydrophobicContact CG-CD1 3.91Å; L366-I370 HydrophobicContact CG-CG1 4.49Å; L366-I370 VanDerWaalsContact O-CG1 3.24Å; L366-I370 WeakPolarHBondContact O-CG1 3.26Å; L366-I370 PolarHBondContact O-N 3.13Å; F367-I370 HydrophobicContact CD1-CD1 4.3Å; F367-I370 PolarHBondContact O-N 3.08Å; I370-G373 PolarHBondContact O-N 2.87Å; I370-L374 HydrophobicContact CG2-CD1 4.12Å; I370-L374 WeakPolarHBondContact O-CG 3.42Å; I370-L374 PolarHBondContact O-N 3.46Å; I370-F412 HydrophobicContact CB-CD1 4.38Å; I370-F412 HydrophobicContact CG1-CD1 4.42Å; I370-F412 HydrophobicContact CG2-CD1 4.03Å; I370-L415 HydrophobicContact CD1-CB 4.38Å; I370-L415 HydrophobicContact CD1-CD2 4.11Å; I370-L415 HydrophobicContact CD1-CG 3.77Å; I370-L415 HydrophobicContact CG1-CD2 3.83Å; I370-L415 HydrophobicContact CG1-CG 4.07Å; I370-F416 HydrophobicContact CD1-CB 4.07Å; I370-F416 HydrophobicContact CD1-CD2 4.32Å; I370-F416 HydrophobicContact CG2-CB 4.26Å |
| 371 | A | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.6 | -57.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | F367 N368 V369 G373 L374 I375 Q481 L482 I485 | F367-A371 VanDerWaalsContact O-CB 3.3Å; F367-A371 WeakPolarHBondContact O-CB 3.02Å; F367-A371 PolarHBondContact O-N 3.27Å; N368-A371 VanDerWaalsContact O-CB 3.3Å; N368-A371 WeakPolarHBondContact O-CB 3.44Å; N368-A371 PolarHBondContact O-N 3.09Å; V369-A371 PolarHBondContact O-N 2.92Å; A371-G373 VanDerWaalsContact C-N 3.29Å; A371-G373 PolarHBondContact O-N 3.3Å; A371-L374 PolarHBondContact O-N 3.41Å; A371-L374 VanDerWaalsContact O-N 3.12Å; A371-I375 PolarHBondContact O-N 2.8Å; A371-Q481 HydrophobicContact CB-CB 4.07Å; A371-L482 HydrophobicContact CB-CD2 4.44Å; A371-I485 HydrophobicContact CB-CD1 3.09Å; A371-I485 HydrophobicContact CB-CG1 4.48Å; A371-I485 WeakPolarHBondContact O-CD1 3.45Å |
| 372 | N | 90.7 | Very high | 89.6 | Confident | 43 Ų | 43 | 25 Ų | 25 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 178.3 | -67.1 | -41.2 | 0 | 0 | 0 | 112.8 | N264 N368 V369 L374 I375 T376 | N264-N372 VanDerWaalsContact OD1-CB 3.3Å; N264-N372 WeakPolarHBondContact OD1-CB 3.37Å; N368-N372 PolarHBondContact O-N 3.25Å; N368-N372 PolarHBondContact O-ND2 2.94Å; N368-N372 VanDerWaalsContact O-ND2 3.08Å; V369-N372 PolarHBondContact O-N 3.16Å; N372-L374 VanDerWaalsContact C-N 3.35Å; N372-L374 PolarHBondContact O-N 3.45Å; N372-I375 WeakPolarHBondContact O-CB 3.34Å; N372-I375 PolarHBondContact O-N 3.07Å; N372-T376 PolarHBondContact O-N 3.21Å |
| 373 | G | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V369 I370 A371 I375 T376 V377 | V369-G373 PolarHBondContact O-N 2.99Å; I370-G373 PolarHBondContact O-N 2.87Å; A371-G373 VanDerWaalsContact C-N 3.29Å; A371-G373 PolarHBondContact O-N 3.3Å; G373-I375 VanDerWaalsContact C-N 3.33Å; G373-I375 PolarHBondContact O-N 3.31Å; G373-T376 PolarHBondContact O-N 2.92Å; G373-T376 PolarHBondContact O-OG1 2.82Å; G373-V377 WeakPolarHBondContact O-CG2 3.34Å; G373-V377 PolarHBondContact O-N 3.31Å; G373-V377 VanDerWaalsContact O-N 3.1Å |
| 374 | L | 91.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.1 | -30.9 | 174.3 | -79.1 | 172.2 | 0 | 0 | 0 | 112.8 | I370 A371 N372 L378 F412 Y489 T529 L533 | I370-L374 HydrophobicContact CG2-CD1 4.12Å; I370-L374 WeakPolarHBondContact O-CG 3.42Å; I370-L374 PolarHBondContact O-N 3.46Å; A371-L374 PolarHBondContact O-N 3.41Å; A371-L374 VanDerWaalsContact O-N 3.12Å; N372-L374 VanDerWaalsContact C-N 3.35Å; N372-L374 PolarHBondContact O-N 3.45Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 3.39Å; L374-F412 HydrophobicContact CD1-CB 4.34Å; L374-F412 HydrophobicContact CD2-CB 3.57Å; L374-F412 HydrophobicContact CD2-CD2 3.86Å; L374-F412 HydrophobicContact CD2-CG 3.86Å; L374-F412 HydrophobicContact CG-CB 3.88Å; L374-F412 HydrophobicContact CG-CD1 4.42Å; L374-F412 HydrophobicContact CG-CD2 4.25Å; L374-F412 HydrophobicContact CG-CG 3.96Å; L374-Y489 HydrophobicContact CB-CE2 4.23Å; L374-Y489 PolarHBondContact O-OH 2.95Å; L374-T529 HydrophobicContact CD2-CG2 4.32Å; L374-L533 HydrophobicContact CD1-CD1 4.46Å; L374-L533 HydrophobicContact CD1-CD2 3.86Å |
| 375 | I | 89.6 | Confident | 86.1 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 18% | 0.179 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.5 | -46.3 | 173.7 | -62.8 | 171 | 0 | 0 | 0 | 109.9 | A371 N372 G373 V377 L378 D379 I485 L488 | A371-I375 PolarHBondContact O-N 2.8Å; N372-I375 WeakPolarHBondContact O-CB 3.34Å; N372-I375 PolarHBondContact O-N 3.07Å; G373-I375 VanDerWaalsContact C-N 3.33Å; G373-I375 PolarHBondContact O-N 3.31Å; I375-V377 VanDerWaalsContact C-N 3.31Å; I375-V377 PolarHBondContact O-N 3.2Å; I375-L378 PolarHBondContact O-N 2.86Å; I375-D379 PolarHBondContact O-N 3.25Å; I375-I485 HydrophobicContact CD1-CD1 4.09Å; I375-I485 HydrophobicContact CD1-CG1 3.8Å; I375-I485 HydrophobicContact CG1-CD1 4Å; I375-I485 HydrophobicContact CG1-CG1 3.68Å; I375-L488 HydrophobicContact CD1-CD1 4.44Å; I375-L488 HydrophobicContact CG1-CD1 4.14Å |
| 376 | T | 88.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 179.4 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | N372 G373 H380 | N372-T376 PolarHBondContact O-N 3.21Å; G373-T376 PolarHBondContact O-N 2.92Å; G373-T376 PolarHBondContact O-OG1 2.82Å; T376-H380 WeakPolarHBondContact O-CB 3.34Å; T376-H380 PolarHBondContact O-N 3.18Å |
| 377 | V | 88.5 | Confident | 82.2 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 173.7 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L268 G373 I375 D379 H380 R381 L408 E409 F412 | L268-V377 HydrophobicContact CD2-CG2 4.28Å; G373-V377 WeakPolarHBondContact O-CG2 3.34Å; G373-V377 PolarHBondContact O-N 3.31Å; G373-V377 VanDerWaalsContact O-N 3.1Å; I375-V377 VanDerWaalsContact C-N 3.31Å; I375-V377 PolarHBondContact O-N 3.2Å; V377-D379 PolarHBondContact O-N 3.43Å; V377-H380 PolarHBondContact O-N 3.32Å; V377-R381 WeakPolarHBondContact O-CB 3.28Å; V377-R381 PolarHBondContact O-N 2.88Å; V377-L408 HydrophobicContact CG2-CD1 4.47Å; V377-E409 HydrophobicContact CG1-CG 3.97Å; V377-F412 HydrophobicContact CG2-CD2 4.34Å; V377-F412 HydrophobicContact CG2-CE2 3.74Å |
| 378 | L | 86.4 | Confident | 79.9 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 178.4 | -174.7 | 62 | 0 | 0 | 0 | 111.8 | L374 I375 R381 N382 L488 Y489 E526 | L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 3.39Å; I375-L378 PolarHBondContact O-N 2.86Å; L378-R381 WeakPolarHBondContact O-CB 3.36Å; L378-R381 PolarHBondContact O-N 3.49Å; L378-N382 WeakPolarHBondContact O-CB 3.45Å; L378-N382 PolarHBondContact O-N 3.27Å; L378-N382 PolarHBondContact O-ND2 2.73Å; L378-L488 HydrophobicContact CD2-CB 3.99Å; L378-Y489 HydrophobicContact CB-CE2 4.28Å; L378-Y489 HydrophobicContact CD1-CE1 4.04Å; L378-Y489 HydrophobicContact CD2-CD2 4.2Å; L378-Y489 HydrophobicContact CD2-CE2 3.96Å; L378-E526 HydrophobicContact CD1-CG 4.48Å |
| 379 | D | 85 | Confident | 77.5 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178 | -80.7 | -18.4 | 0 | 0 | 0 | 112.1 | I375 V377 R381 N382 Q383 | I375-D379 PolarHBondContact O-N 3.25Å; V377-D379 PolarHBondContact O-N 3.43Å; D379-R381 VanDerWaalsContact C-N 3.33Å; D379-R381 PolarHBondContact O-N 3.11Å; D379-N382 PolarHBondContact O-N 2.73Å; D379-Q383 VanDerWaalsContact O-CG 3.27Å; D379-Q383 WeakPolarHBondContact O-CG 3.24Å; D379-Q383 PolarHBondContact O-N 3.08Å |
| 380 | H | 83 | Confident | 75 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.4 | -173.1 | -84.9 | 0 | 0 | 0 | 111.5 | L268 T376 V377 Q383 S384 | L268-H380 HydrophobicContact CD1-CB 4.25Å; L268-H380 WeakPolarHBondContact CD1-ND1 3.39Å; T376-H380 WeakPolarHBondContact O-CB 3.34Å; T376-H380 PolarHBondContact O-N 3.18Å; V377-H380 PolarHBondContact O-N 3.32Å; H380-Q383 PolarHBondContact O-N 3.18Å; H380-S384 PolarHBondContact O-N 3.44Å |
| 381 | R | 77.6 | Confident | 72.1 | Confident | 63 Ų | 63 | 65.3 Ų | 65.3 | 24% | 0.238 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.2 | -168.5 | -178.5 | -173.3 | 112.2 | 6.8 | 111.5 | V377 L378 D379 Q383 S384 T385 E409 C525 E526 | V377-R381 WeakPolarHBondContact O-CB 3.28Å; V377-R381 PolarHBondContact O-N 2.88Å; L378-R381 WeakPolarHBondContact O-CB 3.36Å; L378-R381 PolarHBondContact O-N 3.49Å; D379-R381 VanDerWaalsContact C-N 3.33Å; D379-R381 PolarHBondContact O-N 3.11Å; R381-Q383 VanDerWaalsContact C-N 3.28Å; R381-Q383 PolarHBondContact O-N 2.85Å; R381-S384 WeakPolarHBondContact O-CB 3.49Å; R381-S384 PolarHBondContact O-N 3.21Å; R381-T385 PolarHBondContact O-N 3.01Å; R381-T385 PolarHBondContact O-OG1 3.21Å; R381-E409 IonicContact CZ-OE1 3.9Å; R381-E409 IonicContact NH1-OE1 2.54Å; R381-E409 PolarHBondContact NH1-OE1 3.1Å; R381-C525 PolarHBondContact NH1-SG 3.24Å; R381-E526 IonicContact NE-OE1 2.76Å |
| 382 | N | 76.6 | Confident | 69.3 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 177.9 | -75.8 | -27.3 | 0 | 0 | 0 | 113.2 | L378 D379 T385 K386 | L378-N382 WeakPolarHBondContact O-CB 3.45Å; L378-N382 PolarHBondContact O-N 3.27Å; L378-N382 PolarHBondContact O-ND2 2.73Å; D379-N382 PolarHBondContact O-N 2.73Å; N382-T385 PolarHBondContact O-OG1 3.43Å; N382-K386 WeakPolarHBondContact O-CG 3.4Å; N382-K386 PolarHBondContact O-N 3.02Å |
| 383 | Q | 75.4 | Confident | 66.5 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.9 | -41.2 | 173.7 | -71.3 | 172.3 | 26.1 | 0 | 0 | 111.8 | D379 H380 R381 K386 Q387 | D379-Q383 VanDerWaalsContact O-CG 3.27Å; D379-Q383 WeakPolarHBondContact O-CG 3.24Å; D379-Q383 PolarHBondContact O-N 3.08Å; H380-Q383 PolarHBondContact O-N 3.18Å; R381-Q383 VanDerWaalsContact C-N 3.28Å; R381-Q383 PolarHBondContact O-N 2.85Å; Q383-K386 PolarHBondContact O-N 2.68Å; Q383-Q387 WeakPolarHBondContact O-CG 3.42Å; Q383-Q387 PolarHBondContact O-N 3.21Å; Q383-Q387 VanDerWaalsContact O-N 3.09Å |
| 384 | S | 67.9 | Low | 63.5 | Low | 52 Ų | 52 | 81.3 Ų | 81.3 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 112 | H380 R381 K386 Q387 N388 | H380-S384 PolarHBondContact O-N 3.44Å; R381-S384 WeakPolarHBondContact O-CB 3.49Å; R381-S384 PolarHBondContact O-N 3.21Å; S384-K386 PolarHBondContact O-N 3.25Å; S384-Q387 PolarHBondContact O-N 3.37Å; S384-N388 VanDerWaalsContact O-CG 3.31Å; S384-N388 PolarHBondContact O-N 2.72Å; S384-N388 PolarHBondContact O-ND2 2.87Å |
| 385 | T | 62.5 | Low | 60.8 | Low | 77 Ų | 77 | 87.9 Ų | 87.9 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 178 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | R381 N382 Q387 N388 A389 | R381-T385 PolarHBondContact O-N 3.01Å; R381-T385 PolarHBondContact O-OG1 3.21Å; N382-T385 PolarHBondContact O-OG1 3.43Å; T385-Q387 PolarHBondContact O-N 3.16Å; T385-N388 PolarHBondContact O-N 2.72Å; T385-A389 PolarHBondContact O-N 3.01Å; T385-A389 VanDerWaalsContact O-N 3.1Å |
| 386 | K | 56.5 | Low | 57.9 | Low | 156 Ų | 156 | 94.6 Ų | 94.6 | 68% | 0.678 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.1 | -37.6 | 174.9 | -73.9 | 175.5 | -177.6 | 177.9 | 0 | 113.1 | N382 Q383 S384 S390 | N382-K386 WeakPolarHBondContact O-CG 3.4Å; N382-K386 PolarHBondContact O-N 3.02Å; Q383-K386 PolarHBondContact O-N 2.68Å; S384-K386 PolarHBondContact O-N 3.25Å; K386-S390 PolarHBondContact O-N 2.86Å; K386-S390 PolarHBondContact O-OG 3.22Å |
| 387 | Q | 49.3 | Very low | 55.1 | Low | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 176.9 | -71 | -176.3 | 25.8 | 0 | 0 | 111.9 | Q383 S384 T385 S390 K391 | Q383-Q387 WeakPolarHBondContact O-CG 3.42Å; Q383-Q387 PolarHBondContact O-N 3.21Å; Q383-Q387 VanDerWaalsContact O-N 3.09Å; S384-Q387 PolarHBondContact O-N 3.37Å; T385-Q387 PolarHBondContact O-N 3.16Å; Q387-S390 PolarHBondContact O-N 3.46Å; Q387-S390 PolarHBondContact O-OG 3.23Å; Q387-S390 VanDerWaalsContact O-OG 3.06Å; Q387-K391 PolarHBondContact O-N 3.34Å |
| 388 | N | 47.2 | Very low | 52.5 | Low | 111 Ų | 111 | 102.2 Ų | 102.2 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.6 | -35.1 | 177.2 | -67.6 | -18.7 | 0 | 0 | 0 | 112.2 | S384 T385 S390 | S384-N388 VanDerWaalsContact O-CG 3.31Å; S384-N388 PolarHBondContact O-N 2.72Å; S384-N388 PolarHBondContact O-ND2 2.87Å; T385-N388 PolarHBondContact O-N 2.72Å; N388-S390 VanDerWaalsContact C-N 3.34Å; N388-S390 PolarHBondContact O-N 3.36Å |
| 389 | A | 41.1 | Very low | 50.1 | Low | 74 Ų | 74 | 110.7 Ų | 110.7 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -33.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T385 | T385-A389 PolarHBondContact O-N 3.01Å; T385-A389 VanDerWaalsContact O-N 3.1Å |
| 390 | S | 39.7 | Very low | 48.2 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.8 | -16.4 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | K386 Q387 N388 | K386-S390 PolarHBondContact O-N 2.86Å; K386-S390 PolarHBondContact O-OG 3.22Å; Q387-S390 PolarHBondContact O-N 3.46Å; Q387-S390 PolarHBondContact O-OG 3.23Å; Q387-S390 VanDerWaalsContact O-OG 3.06Å; N388-S390 VanDerWaalsContact C-N 3.34Å; N388-S390 PolarHBondContact O-N 3.36Å |
| 391 | K | 34.1 | Very low | 46.6 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | trans | -111.3 | 39.1 | -177.5 | -68.9 | -177.4 | 178.2 | 175.6 | 0 | 114 | Q387 S393 | Q387-K391 PolarHBondContact O-N 3.34Å; K391-S393 PolarHBondContact O-N 2.84Å; K391-S393 VanDerWaalsContact O-N 3.1Å | ||
| 392 | T | 32.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 81% | 0.81 | 61% | 0.611 | S | S | * | * | trans | -73.8 | 12.9 | 172.4 | 28.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 393 | S | 32.5 | Very low | 45.2 | Very low | 82 Ų | 82 | 111.6 Ų | 111.6 | 57% | 0.573 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -133 | 127.5 | 162.1 | 61.2 | 0 | 0 | 0 | 0 | 109.8 | K391 | K391-S393 PolarHBondContact O-N 2.84Å; K391-S393 VanDerWaalsContact O-N 3.1Å |
| 394 | H | 29.2 | Very low | 45.3 | Very low | 166 Ų | 166 | 107.5 Ų | 107.5 | 77% | 0.769 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 94.6 | 108.2 | 169.1 | -56.2 | -70.5 | 0 | 0 | 0 | 118.8 | ||
| 395 | I | 33.5 | Very low | 45.9 | Very low | 140 Ų | 140 | 107.6 Ų | 107.6 | 72% | 0.718 | 58% | 0.582 | S | S | * | * | trans | 81.8 | 102.4 | 149.5 | -50.2 | 164.6 | 0 | 0 | 0 | 116.1 | T397 | I395-T397 HydrophobicContact CG2-CG2 3.85Å; I395-T397 PolarHBondContact O-N 3.3Å | ||
| 396 | N | 29.2 | Very low | 46.9 | Very low | 175 Ų | 175 | 104.3 Ų | 104.3 | 94% | 0.936 | 56% | 0.561 | S | S | * | * | trans | -61 | 69.6 | 160.2 | -72.7 | -20.9 | 0 | 0 | 0 | 111 | S398 | N396-S398 PolarHBondContact O-N 3.07Š| ||
| 397 | T | 30.2 | Very low | 48.4 | Very low | 91 Ų | 91 | 97.4 Ų | 97.4 | 56% | 0.558 | 53% | 0.531 | S | S | * | . | trans | -75.4 | 116 | 158.1 | 49 | 0 | 0 | 0 | 0 | 107.1 | I395 F399 | I395-T397 HydrophobicContact CG2-CG2 3.85Å; I395-T397 PolarHBondContact O-N 3.3Å; T397-F399 VanDerWaalsContact C-N 3.32Å; T397-F399 PolarHBondContact O-N 2.94Å | ||
| 398 | S | 32.9 | Very low | 50.3 | Low | 115 Ų | 115 | 92.5 Ų | 92.5 | 80% | 0.804 | 51% | 0.508 | S | S | * | . | trans | -50.1 | 89.8 | 172.9 | 53 | 0 | 0 | 0 | 0 | 111 | N396 S400 | N396-S398 PolarHBondContact O-N 3.07Å; S398-S400 VanDerWaalsContact C-N 3.29Å; S398-S400 PolarHBondContact O-N 3.22Å | ||
| 399 | F | 36.9 | Very low | 52.4 | Low | 188 Ų | 188 | 87.5 Ų | 87.5 | 83% | 0.825 | 48% | 0.481 | S | S | * | . | trans | -66.2 | 96.1 | 163.5 | -88 | -87.9 | 0 | 0 | 0 | 106.2 | T397 K401 | T397-F399 VanDerWaalsContact C-N 3.32Å; T397-F399 PolarHBondContact O-N 2.94Å; F399-K401 PolarHBondContact O-N 3.37Å | ||
| 400 | S | 43.8 | Very low | 54.7 | Low | 93 Ų | 93 | 84.3 Ų | 84.3 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | trans | -68.7 | 87.9 | 166.7 | 62.6 | 0 | 0 | 0 | 0 | 107 | S398 H402 | S398-S400 VanDerWaalsContact C-N 3.29Å; S398-S400 PolarHBondContact O-N 3.22Å; S400-H402 PolarHBondContact O-N 3.47Å | ||
| 401 | K | 50.2 | Low | 57.2 | Low | 78.5 Ų | 78.5 | 80.5 Ų | 80.5 | 34% | 0.341 | 43% | 0.428 | S | S | . | . | trans | -51.9 | 126.3 | 170.9 | -116.8 | -179.2 | 173.3 | 174.8 | 0 | 108 | F399 E405 E1297 | F399-K401 PolarHBondContact O-N 3.37Å; K401-E405 WeakPolarHBondContact CE-OE2 3.15Å; K401-E405 HydrophobicContact CG-CB 4.32Å; K401-E405 WeakPolarHBondContact CG-OE2 3.46Å; K401-E1297 VanDerWaalsContact CD-OE1 3.22Å; K401-E1297 WeakPolarHBondContact CD-OE1 3.34Å; K401-E1297 WeakPolarHBondContact CE-OE1 3.25Å; K401-E1297 IonicContact NZ-OE1 2.74Å; K401-E1297 PolarHBondContact NZ-OE1 2.69Å; K401-E1297 IonicContact NZ-OE2 2.64Å | ||
| 402 | H | 58.9 | Low | 60 | Low | 94.5 Ų | 94.5 | 73.4 Ų | 73.4 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | trans | -72.2 | 151.2 | -175.7 | -68.2 | -22.2 | 0 | 0 | 0 | 110.4 | S400 W404 E405 | S400-H402 PolarHBondContact O-N 3.47Å; H402-W404 HydrophobicContact CB-CD2 4.46Å; H402-W404 HydrophobicContact CB-CZ2 4.05Å; H402-W404 PolarHBondContact O-N 3.31Å; H402-E405 IonicContact CD2-OE1 2.81Å; H402-E405 PolarHBondContact O-N 3.28Å | ||
| 403 | N | 66.1 | Low | 62.9 | Low | 52.5 Ų | 52.5 | 67.1 Ų | 67.1 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -3.3 | -172.8 | -76.2 | 8.2 | 0 | 0 | 0 | 116.3 | Y406 N1362 | N403-Y406 VanDerWaalsContact C-CE1 3.46Å; N403-Y406 WeakPolarHBondContact O-CE1 3.33Å; N403-N1362 PolarHBondContact ND2-O 2.96Å |
| 404 | W | 77.9 | Confident | 65.6 | Low | 28.5 Ų | 28.5 | 64.9 Ų | 64.9 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -22.5 | -175.7 | 51 | -100.2 | 0 | 0 | 0 | 113.7 | L268 E269 Y272 H402 Y406 K407 L408 | L268-W404 VanDerWaalsContact C-CZ3 3.45Å; L268-W404 HydrophobicContact CB-CH2 3.67Å; L268-W404 HydrophobicContact CB-CZ3 3.48Å; L268-W404 VanDerWaalsContact CB-CZ3 3.48Å; E269-W404 HydrophobicContact CB-CD2 4.46Å; E269-W404 HydrophobicContact CB-CH2 3.91Å; E269-W404 HydrophobicContact CB-CZ2 3.41Å; E269-W404 VanDerWaalsContact CB-CZ2 3.41Å; E269-W404 HydrophobicContact CG-CD2 4.43Å; E269-W404 HydrophobicContact CG-CZ2 3.92Å; Y272-W404 HydrophobicContact CD1-CB 3.36Å; Y272-W404 HydrophobicContact CD1-CG 4.06Å; Y272-W404 HydrophobicContact CD2-CB 4.08Å; Y272-W404 HydrophobicContact CE1-CB 3.49Å; Y272-W404 VanDerWaalsContact CE1-CB 3.49Å; Y272-W404 HydrophobicContact CE2-CB 4.22Å; Y272-W404 HydrophobicContact CG-CB 3.66Å; Y272-W404 HydrophobicContact CG-CE3 4.41Å; Y272-W404 HydrophobicContact CG-CG 4.31Å; H402-W404 HydrophobicContact CB-CD2 4.46Å; H402-W404 HydrophobicContact CB-CZ2 4.05Å; H402-W404 PolarHBondContact O-N 3.31Å; W404-Y406 VanDerWaalsContact C-N 3.29Å; W404-Y406 PolarHBondContact O-N 3.15Å; W404-K407 PolarHBondContact O-N 3.36Å; W404-L408 HydrophobicContact CE3-CD1 4.35Å; W404-L408 HydrophobicContact CE3-CD2 4.46Å; W404-L408 HydrophobicContact CE3-CG 4.37Å; W404-L408 HydrophobicContact CZ3-CD1 4.04Å; W404-L408 HydrophobicContact CZ3-CG 4.48Å |
| 405 | E | 79.9 | Confident | 68.7 | Low | 54.5 Ų | 54.5 | 57 Ų | 57 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -58.7 | -41.1 | -173.4 | -76.2 | 178.5 | -159.7 | 0 | 0 | 112.2 | K401 H402 K407 L408 | K401-E405 WeakPolarHBondContact CE-OE2 3.15Å; K401-E405 HydrophobicContact CG-CB 4.32Å; K401-E405 WeakPolarHBondContact CG-OE2 3.46Å; H402-E405 IonicContact CD2-OE1 2.81Å; H402-E405 PolarHBondContact O-N 3.28Å; E405-K407 PolarHBondContact O-N 3.45Å; E405-L408 PolarHBondContact O-N 3.35Å |
| 406 | Y | 83.5 | Confident | 71.6 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -69.2 | -13.3 | -178.2 | 69.8 | -93.8 | 0 | 0 | 0 | 113.8 | N403 W404 L1296 L1299 G1300 Y1303 R1304 S1366 | N403-Y406 VanDerWaalsContact C-CE1 3.46Å; N403-Y406 WeakPolarHBondContact O-CE1 3.33Å; W404-Y406 VanDerWaalsContact C-N 3.29Å; W404-Y406 PolarHBondContact O-N 3.15Å; Y406-L1296 WeakPolarHBondContact CB-O 3.45Å; Y406-L1296 HydrophobicContact CD1-CB 4.01Å; Y406-L1296 HydrophobicContact CD1-CD2 4.18Å; Y406-L1296 WeakPolarHBondContact CD2-O 3.04Å; Y406-L1296 HydrophobicContact CE1-CB 4.38Å; Y406-L1296 HydrophobicContact CE1-CD2 3.68Å; Y406-L1296 HydrophobicContact CE1-CG 4.47Å; Y406-L1296 HydrophobicContact CG-CB 4.43Å; Y406-L1299 HydrophobicContact CD2-CB 4.16Å; Y406-L1299 HydrophobicContact CE2-CB 3.86Å; Y406-G1300 WeakPolarHBondContact O-CA 3.31Å; Y406-Y1303 HydrophobicContact CD2-CD2 4.24Å; Y406-Y1303 HydrophobicContact CD2-CE2 4.47Å; Y406-Y1303 AromaticContact CE2-CD2 3.91Å; Y406-Y1303 HydrophobicContact CE2-CD2 3.91Å; Y406-Y1303 AromaticContact CE2-CE2 3.7Å; Y406-Y1303 HydrophobicContact CE2-CE2 3.7Å; Y406-R1304 PolarHBondContact O-NH1 2.78Å; Y406-S1366 WeakPolarHBondContact OH-CB 3.35Å; Y406-S1366 PolarHBondContact OH-OG 3.04Å |
| 407 | K | 87 | Confident | 74.4 | Confident | 11.5 Ų | 11.5 | 42.4 Ų | 42.4 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -96.3 | -15.5 | -179.2 | -63.9 | -168.2 | 178 | -163.1 | 0 | 113.8 | Y272 W404 E405 E409 S410 S411 Y1303 E1373 | Y272-K407 HydrophobicContact CE2-CB 3.78Å; Y272-K407 HydrophobicContact CE2-CD 4.5Å; W404-K407 PolarHBondContact O-N 3.36Å; E405-K407 PolarHBondContact O-N 3.45Å; K407-E409 PolarHBondContact O-N 3.26Å; K407-S410 PolarHBondContact O-N 3.02Å; K407-S410 VanDerWaalsContact O-N 3.11Å; K407-S410 PolarHBondContact O-OG 2.92Å; K407-S411 PolarHBondContact O-N 3.1Å; K407-S411 PolarHBondContact O-OG 2.98Å; K407-S411 VanDerWaalsContact O-OG 3.08Å; K407-Y1303 HydrophobicContact CD-CE2 4.37Å; K407-Y1303 WeakPolarHBondContact CE-OH 3.33Å; K407-Y1303 HydrophobicContact CG-CD2 4.19Å; K407-Y1303 HydrophobicContact CG-CE2 4.29Å; K407-Y1303 PolarHBondContact NZ-OH 3.04Å; K407-E1373 IonicContact NZ-OE1 2.74Å; K407-E1373 IonicContact NZ-OE2 3.54Å; K407-E1373 PolarHBondContact NZ-OE2 3.24Å |
| 408 | L | 89.7 | Confident | 77.2 | Confident | 5.5 Ų | 5.5 | 38.3 Ų | 38.3 | 3% | 0.029 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -47.8 | -58 | -168 | -82 | 166.3 | 0 | 0 | 0 | 114.4 | L268 I271 Y272 I275 V377 W404 E405 S410 S411 F412 | L268-L408 HydrophobicContact CB-CD1 4.24Å; L268-L408 HydrophobicContact CD1-CD1 4.16Å; I271-L408 HydrophobicContact CG2-CD2 4.42Å; Y272-L408 HydrophobicContact CD2-CD2 4.28Å; I275-L408 HydrophobicContact CD1-CD2 4.46Å; V377-L408 HydrophobicContact CG2-CD1 4.47Å; W404-L408 HydrophobicContact CE3-CD1 4.35Å; W404-L408 HydrophobicContact CE3-CD2 4.46Å; W404-L408 HydrophobicContact CE3-CG 4.37Å; W404-L408 HydrophobicContact CZ3-CD1 4.04Å; W404-L408 HydrophobicContact CZ3-CG 4.48Å; E405-L408 PolarHBondContact O-N 3.35Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.29Å; L408-S411 PolarHBondContact O-N 3.33Å; L408-F412 WeakPolarHBondContact O-CD2 3.09Å; L408-F412 PolarHBondContact O-N 3.17Å |
| 409 | E | 90.8 | Very high | 80.1 | Confident | 6.5 Ų | 6.5 | 32.9 Ų | 32.9 | 3% | 0.03 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | -176.8 | -61 | 88.5 | 162.3 | 0 | 0 | 111.3 | V377 R381 K407 S411 F412 L413 C525 R1304 | V377-E409 HydrophobicContact CG1-CG 3.97Å; R381-E409 IonicContact CZ-OE1 3.9Å; R381-E409 IonicContact NH1-OE1 2.54Å; R381-E409 PolarHBondContact NH1-OE1 3.1Å; K407-E409 PolarHBondContact O-N 3.26Å; E409-S411 VanDerWaalsContact C-N 3.29Å; E409-S411 PolarHBondContact O-N 3.3Å; E409-F412 PolarHBondContact O-N 3.14Å; E409-L413 WeakPolarHBondContact O-CG 3.39Å; E409-L413 PolarHBondContact O-N 3.19Å; E409-C525 PolarHBondContact OE1-SG 3.45Å; E409-C525 VanDerWaalsContact OE1-SG 3.37Å; E409-R1304 HydrophobicContact CB-CG 4.39Å |
| 410 | S | 90.2 | Very high | 82.7 | Confident | 6.5 Ų | 6.5 | 23.9 Ų | 23.9 | 5% | 0.045 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -35.2 | 177.4 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | K407 L408 L414 Y1303 S1307 | K407-S410 PolarHBondContact O-N 3.02Å; K407-S410 VanDerWaalsContact O-N 3.11Å; K407-S410 PolarHBondContact O-OG 2.92Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.29Å; S410-L414 WeakPolarHBondContact O-CB 3.42Å; S410-L414 PolarHBondContact O-N 3.02Å; S410-Y1303 WeakPolarHBondContact OG-CB 3.43Å; S410-S1307 PolarHBondContact O-OG 2.96Å |
| 411 | S | 91.3 | Very high | 84.7 | Confident | 13 Ų | 13 | 20.3 Ų | 20.3 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.1 | -38.7 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | K407 L408 E409 L414 L415 | K407-S411 PolarHBondContact O-N 3.1Å; K407-S411 PolarHBondContact O-OG 2.98Å; K407-S411 VanDerWaalsContact O-OG 3.08Å; L408-S411 PolarHBondContact O-N 3.33Å; E409-S411 VanDerWaalsContact C-N 3.29Å; E409-S411 PolarHBondContact O-N 3.3Å; S411-L414 PolarHBondContact O-N 3.03Å; S411-L415 WeakPolarHBondContact O-CB 3.38Å; S411-L415 PolarHBondContact O-N 3.02Å |
| 412 | F | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 171.6 | -88 | -64.5 | 0 | 0 | 0 | 112.2 | L263 I271 I275 I370 L374 V377 L408 E409 L414 L415 F416 | L263-F412 HydrophobicContact CD2-CE1 4.43Å; L263-F412 HydrophobicContact CD2-CZ 4.47Å; I271-F412 HydrophobicContact CG2-CE2 3.95Å; I271-F412 HydrophobicContact CG2-CZ 3.66Å; I275-F412 HydrophobicContact CD1-CD1 3.9Å; I275-F412 HydrophobicContact CD1-CD2 3.61Å; I275-F412 HydrophobicContact CD1-CE1 3.68Å; I275-F412 HydrophobicContact CD1-CE2 3.36Å; I275-F412 HydrophobicContact CD1-CG 3.88Å; I275-F412 HydrophobicContact CD1-CZ 3.41Å; I275-F412 VanDerWaalsContact CD1-CZ 3.41Å; I275-F412 HydrophobicContact CG1-CD1 4.2Å; I275-F412 HydrophobicContact CG1-CE1 3.88Å; I275-F412 HydrophobicContact CG1-CE2 4.42Å; I275-F412 HydrophobicContact CG1-CZ 4.01Å; I370-F412 HydrophobicContact CB-CD1 4.38Å; I370-F412 HydrophobicContact CG1-CD1 4.42Å; I370-F412 HydrophobicContact CG2-CD1 4.03Å; L374-F412 HydrophobicContact CD1-CB 4.34Å; L374-F412 HydrophobicContact CD2-CB 3.57Å; L374-F412 HydrophobicContact CD2-CD2 3.86Å; L374-F412 HydrophobicContact CD2-CG 3.86Å; L374-F412 HydrophobicContact CG-CB 3.88Å; L374-F412 HydrophobicContact CG-CD1 4.42Å; L374-F412 HydrophobicContact CG-CD2 4.25Å; L374-F412 HydrophobicContact CG-CG 3.96Å; V377-F412 HydrophobicContact CG2-CD2 4.34Å; V377-F412 HydrophobicContact CG2-CE2 3.74Å; L408-F412 WeakPolarHBondContact O-CD2 3.09Å; L408-F412 PolarHBondContact O-N 3.17Å; E409-F412 PolarHBondContact O-N 3.14Å; F412-L414 VanDerWaalsContact C-N 3.3Å; F412-L414 PolarHBondContact O-N 3.2Å; F412-L415 PolarHBondContact O-N 3.24Å; F412-F416 WeakPolarHBondContact O-CB 3.33Å; F412-F416 PolarHBondContact O-N 3.22Å |
| 413 | L | 92.2 | Very high | 88.3 | Confident | 1.5 Ų | 1.5 | 12.1 Ų | 12.1 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 175.2 | -71.3 | 175.9 | 0 | 0 | 0 | 111.9 | E409 F416 D417 T529 L533 S1307 | E409-L413 WeakPolarHBondContact O-CG 3.39Å; E409-L413 PolarHBondContact O-N 3.19Å; L413-F416 PolarHBondContact O-N 3.34Å; L413-D417 PolarHBondContact O-N 3.33Å; L413-T529 HydrophobicContact CD2-CG2 4.49Å; L413-L533 HydrophobicContact CD2-CD2 4.2Å; L413-L533 HydrophobicContact CD2-CG 4.07Å; L413-S1307 WeakPolarHBondContact CB-OG 3.46Å |
| 414 | L | 89.7 | Confident | 89.4 | Confident | 35.5 Ų | 35.5 | 9.6 Ų | 9.6 | 19% | 0.186 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 175.6 | 178 | 60.9 | 0 | 0 | 0 | 111.6 | I279 S410 S411 F412 F416 D417 V418 | I279-L414 HydrophobicContact CD1-CB 4.37Å; I279-L414 HydrophobicContact CD1-CD2 4Å; I279-L414 HydrophobicContact CD1-CG 4.13Å; I279-L414 HydrophobicContact CG2-CD2 4.44Å; S410-L414 WeakPolarHBondContact O-CB 3.42Å; S410-L414 PolarHBondContact O-N 3.02Å; S411-L414 PolarHBondContact O-N 3.03Å; F412-L414 VanDerWaalsContact C-N 3.3Å; F412-L414 PolarHBondContact O-N 3.2Å; L414-F416 VanDerWaalsContact C-N 3.26Å; L414-F416 PolarHBondContact O-N 2.92Å; L414-D417 PolarHBondContact O-N 3.2Å; L414-V418 HydrophobicContact CD1-CG2 4.08Å; L414-V418 HydrophobicContact CG-CG2 4.44Å; L414-V418 WeakPolarHBondContact O-CB 3.37Å; L414-V418 VanDerWaalsContact O-CG2 3.28Å; L414-V418 WeakPolarHBondContact O-CG2 3.36Å; L414-V418 PolarHBondContact O-N 3.26Å |
| 415 | L | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60 | -40.2 | 175.1 | 178.5 | 58.1 | 0 | 0 | 0 | 110.9 | I275 L278 I279 L366 I370 S411 F412 V418 G419 | I275-L415 HydrophobicContact CG2-CB 4.15Å; I275-L415 HydrophobicContact CG2-CD2 4.06Å; L278-L415 HydrophobicContact CB-CD1 3.74Å; L278-L415 HydrophobicContact CB-CD2 4.07Å; L278-L415 HydrophobicContact CD1-CD2 4.25Å; I279-L415 HydrophobicContact CD1-CB 4.3Å; I279-L415 HydrophobicContact CG1-CB 3.75Å; I279-L415 HydrophobicContact CG1-CD1 3.89Å; I279-L415 HydrophobicContact CG1-CG 4.36Å; L366-L415 HydrophobicContact CD1-CD1 4.26Å; L366-L415 HydrophobicContact CD1-CD2 4.15Å; L366-L415 HydrophobicContact CD1-CG 4.31Å; L366-L415 HydrophobicContact CD2-CD1 4.44Å; I370-L415 HydrophobicContact CD1-CB 4.38Å; I370-L415 HydrophobicContact CD1-CD2 4.11Å; I370-L415 HydrophobicContact CD1-CG 3.77Å; I370-L415 HydrophobicContact CG1-CD2 3.83Å; I370-L415 HydrophobicContact CG1-CG 4.07Å; S411-L415 WeakPolarHBondContact O-CB 3.38Å; S411-L415 PolarHBondContact O-N 3.02Å; F412-L415 PolarHBondContact O-N 3.24Å; L415-V418 PolarHBondContact O-N 3.14Å; L415-G419 PolarHBondContact O-N 3.13Å |
| 416 | F | 94.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.8 | -46.4 | 176.9 | -165.7 | -164.8 | 0 | 0 | 0 | 111.9 | F367 I370 F412 L413 L414 V418 G419 I420 L482 L533 K536 I537 | F367-F416 HydrophobicContact CB-CE2 4.19Å; F367-F416 AromaticContact CD1-CD2 3.49Å; F367-F416 HydrophobicContact CD1-CD2 3.49Å; F367-F416 VanDerWaalsContact CD1-CD2 3.49Å; F367-F416 AromaticContact CD1-CE2 3.53Å; F367-F416 HydrophobicContact CD1-CE2 3.53Å; F367-F416 HydrophobicContact CD2-CE2 4.26Å; F367-F416 AromaticContact CE1-CD2 3.78Å; F367-F416 HydrophobicContact CE1-CD2 3.78Å; F367-F416 AromaticContact CE1-CE2 3.92Å; F367-F416 HydrophobicContact CE1-CE2 3.92Å; F367-F416 HydrophobicContact CG-CD2 4.16Å; F367-F416 AromaticContact CG-CE2 3.73Å; F367-F416 HydrophobicContact CG-CE2 3.73Å; F367-F416 HydrophobicContact CZ-CE2 4.47Å; I370-F416 HydrophobicContact CD1-CB 4.07Å; I370-F416 HydrophobicContact CD1-CD2 4.32Å; I370-F416 HydrophobicContact CG2-CB 4.26Å; F412-F416 WeakPolarHBondContact O-CB 3.33Å; F412-F416 PolarHBondContact O-N 3.22Å; L413-F416 PolarHBondContact O-N 3.34Å; L414-F416 VanDerWaalsContact C-N 3.26Å; L414-F416 PolarHBondContact O-N 2.92Å; F416-V418 PolarHBondContact O-N 3.21Å; F416-G419 PolarHBondContact O-N 2.85Å; F416-I420 HydrophobicContact CD1-CD1 4.46Å; F416-I420 HydrophobicContact CD2-CD1 3.78Å; F416-I420 HydrophobicContact CD2-CG1 3.97Å; F416-I420 HydrophobicContact CE1-CD1 4.37Å; F416-I420 HydrophobicContact CE2-CD1 3.7Å; F416-I420 HydrophobicContact CE2-CG1 3.92Å; F416-I420 HydrophobicContact CG-CD1 4.22Å; F416-I420 HydrophobicContact CZ-CD1 4.09Å; F416-I420 VanDerWaalsContact O-CG1 3.29Å; F416-I420 WeakPolarHBondContact O-CG1 3.41Å; F416-I420 PolarHBondContact O-N 2.83Å; F416-L482 HydrophobicContact CE1-CD2 4.04Å; F416-L482 HydrophobicContact CZ-CD1 4.05Å; F416-L482 HydrophobicContact CZ-CD2 3.75Å; F416-L533 HydrophobicContact CD1-CD2 4.17Å; F416-L533 HydrophobicContact CE1-CD2 4.17Å; F416-K536 HydrophobicContact CD1-CB 3.8Å; F416-K536 HydrophobicContact CD1-CG 4.39Å; F416-K536 HydrophobicContact CE1-CB 3.91Å; F416-K536 HydrophobicContact CG-CB 4.31Å; F416-I537 HydrophobicContact CE1-CG1 3.78Å; F416-I537 HydrophobicContact CZ-CG1 3.92Å |
| 417 | D | 88 | Confident | 90.2 | Very high | 7 Ų | 7 | 8.1 Ų | 8.1 | 4% | 0.037 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.8 | -172 | 65.4 | 0 | 0 | 0 | 112 | L413 L414 G419 I420 N421 K536 K539 | L413-D417 PolarHBondContact O-N 3.33Å; L414-D417 PolarHBondContact O-N 3.2Å; D417-G419 VanDerWaalsContact C-N 3.35Å; D417-G419 PolarHBondContact O-N 2.76Å; D417-I420 PolarHBondContact O-N 3.37Å; D417-N421 PolarHBondContact O-N 3.04Å; D417-N421 PolarHBondContact O-ND2 2.87Å; D417-N421 VanDerWaalsContact O-ND2 3.1Å; D417-N421 PolarHBondContact O-OD1 2.87Å; D417-N421 PolarHBondContact OD2-ND2 3.48Å; D417-K536 HydrophobicContact CB-CD 4.23Å; D417-K536 HydrophobicContact CB-CG 4.48Å; D417-K536 WeakPolarHBondContact OD1-CD 3.43Å; D417-K536 WeakPolarHBondContact OD1-CE 3.27Å; D417-K536 IonicContact OD1-NZ 3.89Å; D417-K536 PolarHBondContact OD1-NZ 3.17Å; D417-K539 IonicContact OD1-NZ 3.79Å |
| 418 | V | 89.4 | Confident | 89.9 | Confident | 5.5 Ų | 5.5 | 8.4 Ų | 8.4 | 3% | 0.033 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | C282 R283 I286 L414 L415 F416 N421 L422 | C282-V418 HydrophobicContact CB-CG1 3.51Å; R283-V418 HydrophobicContact CG-CG1 3.97Å; I286-V418 HydrophobicContact CD1-CG1 4.23Å; L414-V418 HydrophobicContact CD1-CG2 4.08Å; L414-V418 HydrophobicContact CG-CG2 4.44Å; L414-V418 WeakPolarHBondContact O-CB 3.37Å; L414-V418 VanDerWaalsContact O-CG2 3.28Å; L414-V418 WeakPolarHBondContact O-CG2 3.36Å; L414-V418 PolarHBondContact O-N 3.26Å; L415-V418 PolarHBondContact O-N 3.14Å; F416-V418 PolarHBondContact O-N 3.21Å; V418-N421 PolarHBondContact O-N 3.23Å; V418-L422 WeakPolarHBondContact O-CB 3.5Å; V418-L422 PolarHBondContact O-N 3.02Å |
| 419 | G | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L415 F416 D417 N421 L422 L423 | L415-G419 PolarHBondContact O-N 3.13Å; F416-G419 PolarHBondContact O-N 2.85Å; D417-G419 VanDerWaalsContact C-N 3.35Å; D417-G419 PolarHBondContact O-N 2.76Å; G419-N421 VanDerWaalsContact C-N 3.32Å; G419-N421 PolarHBondContact O-N 3.2Å; G419-L422 WeakPolarHBondContact O-CB 3.35Å; G419-L422 PolarHBondContact O-N 3.38Å; G419-L423 PolarHBondContact O-N 3.22Å |
| 420 | I | 91.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 172.7 | -70.2 | 163.6 | 0 | 0 | 0 | 110.2 | F367 F416 D417 L422 L423 L424 K536 K539 L540 | F367-I420 HydrophobicContact CE1-CG1 4.07Å; F367-I420 HydrophobicContact CZ-CB 4.49Å; F367-I420 HydrophobicContact CZ-CG1 3.82Å; F416-I420 HydrophobicContact CD1-CD1 4.46Å; F416-I420 HydrophobicContact CD2-CD1 3.78Å; F416-I420 HydrophobicContact CD2-CG1 3.97Å; F416-I420 HydrophobicContact CE1-CD1 4.37Å; F416-I420 HydrophobicContact CE2-CD1 3.7Å; F416-I420 HydrophobicContact CE2-CG1 3.92Å; F416-I420 HydrophobicContact CG-CD1 4.22Å; F416-I420 HydrophobicContact CZ-CD1 4.09Å; F416-I420 VanDerWaalsContact O-CG1 3.29Å; F416-I420 WeakPolarHBondContact O-CG1 3.41Å; F416-I420 PolarHBondContact O-N 2.83Å; D417-I420 PolarHBondContact O-N 3.37Å; I420-L422 VanDerWaalsContact C-N 3.31Å; I420-L422 PolarHBondContact O-N 3.47Å; I420-L423 PolarHBondContact O-N 3.1Å; I420-L424 HydrophobicContact CG2-CD1 3.6Å; I420-L424 HydrophobicContact CG2-CG 4.16Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.43Å; I420-L424 PolarHBondContact O-N 3.46Å; I420-K536 HydrophobicContact CD1-CB 3.68Å; I420-K536 HydrophobicContact CD1-CG 4.45Å; I420-K536 VanDerWaalsContact CD1-O 3.25Å; I420-K536 WeakPolarHBondContact CD1-O 3.49Å; I420-K539 HydrophobicContact CG2-CD 4.45Å; I420-K539 HydrophobicContact CG2-CG 4.45Å; I420-L540 HydrophobicContact CD1-CB 4.22Å; I420-L540 HydrophobicContact CG1-CB 4.3Å; I420-L540 HydrophobicContact CG1-CD1 4.39Å |
| 421 | N | 87.8 | Confident | 86.9 | Confident | 18 Ų | 18 | 19.8 Ų | 19.8 | 10% | 0.096 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.1 | -62.9 | -31.5 | 0 | 0 | 0 | 111.8 | I286 D417 V418 G419 L423 L424 I425 K539 Q1312 | I286-N421 HydrophobicContact CD1-CB 4.09Å; D417-N421 PolarHBondContact O-N 3.04Å; D417-N421 PolarHBondContact O-ND2 2.87Å; D417-N421 VanDerWaalsContact O-ND2 3.1Å; D417-N421 PolarHBondContact O-OD1 2.87Å; D417-N421 PolarHBondContact OD2-ND2 3.48Å; V418-N421 PolarHBondContact O-N 3.23Å; G419-N421 VanDerWaalsContact C-N 3.32Å; G419-N421 PolarHBondContact O-N 3.2Å; N421-L423 VanDerWaalsContact C-N 3.31Å; N421-L423 PolarHBondContact O-N 2.98Å; N421-L424 PolarHBondContact O-N 3.4Å; N421-I425 HydrophobicContact CB-CD1 4.25Å; N421-I425 VanDerWaalsContact O-CB 3.25Å; N421-I425 WeakPolarHBondContact O-CB 3.37Å; N421-I425 WeakPolarHBondContact O-CD1 3.22Å; N421-I425 WeakPolarHBondContact O-CG1 3.41Å; N421-I425 PolarHBondContact O-N 3.16Å; N421-K539 PolarHBondContact OD1-NZ 2.93Å; N421-K539 VanDerWaalsContact OD1-NZ 3.17Å; N421-Q1312 PolarHBondContact ND2-NE2 2.9Å; N421-Q1312 PolarHBondContact OD1-NE2 3.39Å |
| 422 | L | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 175.8 | 175.9 | 64.8 | 0 | 0 | 0 | 111 | C282 L285 I286 I289 M359 F362 V418 G419 I420 S426 | C282-L422 HydrophobicContact CB-CD2 4.22Å; L285-L422 HydrophobicContact CB-CD1 3.61Å; L285-L422 HydrophobicContact CB-CD2 4.25Å; L285-L422 HydrophobicContact CD1-CD2 3.8Å; I286-L422 HydrophobicContact CD1-CB 4.25Å; I286-L422 HydrophobicContact CG1-CB 4.01Å; I286-L422 HydrophobicContact CG1-CD1 3.77Å; I289-L422 HydrophobicContact CD1-CD1 3.64Å; M359-L422 HydrophobicContact CE-CD1 4.1Å; M359-L422 HydrophobicContact SD-CD1 3.8Å; M359-L422 HydrophobicContact SD-CD2 3.77Å; M359-L422 HydrophobicContact SD-CG 3.64Å; F362-L422 HydrophobicContact CD1-CD2 4.04Å; F362-L422 HydrophobicContact CE1-CD2 3.67Å; V418-L422 WeakPolarHBondContact O-CB 3.5Å; V418-L422 PolarHBondContact O-N 3.02Å; G419-L422 WeakPolarHBondContact O-CB 3.35Å; G419-L422 PolarHBondContact O-N 3.38Å; I420-L422 VanDerWaalsContact C-N 3.31Å; I420-L422 PolarHBondContact O-N 3.47Å; L422-S426 VanDerWaalsContact O-CB 3.3Å; L422-S426 WeakPolarHBondContact O-CB 3.3Å; L422-S426 PolarHBondContact O-N 3.13Å; L422-S426 PolarHBondContact O-OG 3.07Å |
| 423 | L | 92.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -52.8 | 176.1 | 179.1 | 66.1 | 0 | 0 | 0 | 111.1 | L360 C363 F364 F367 G419 I420 N421 I425 S426 L427 L540 L544 | L360-L423 HydrophobicContact CD2-CD1 3.65Å; L360-L423 HydrophobicContact CG-CD1 4.47Å; C363-L423 HydrophobicContact CB-CB 4.11Å; C363-L423 HydrophobicContact CB-CD1 4.12Å; F364-L423 HydrophobicContact CE1-CD2 4.36Å; F364-L423 HydrophobicContact CZ-CD2 4.03Å; F367-L423 HydrophobicContact CE2-CD2 3.98Å; F367-L423 HydrophobicContact CZ-CD2 4.39Å; G419-L423 PolarHBondContact O-N 3.22Å; I420-L423 PolarHBondContact O-N 3.1Å; N421-L423 VanDerWaalsContact C-N 3.31Å; N421-L423 PolarHBondContact O-N 2.98Å; L423-I425 PolarHBondContact O-N 3.25Å; L423-S426 PolarHBondContact O-N 3.13Å; L423-S426 PolarHBondContact O-OG 2.99Å; L423-L427 HydrophobicContact CD1-CD1 3.92Å; L423-L427 HydrophobicContact CD1-CG 4.39Å; L423-L427 HydrophobicContact CG-CD1 3.93Å; L423-L427 VanDerWaalsContact O-CG 3.31Å; L423-L427 WeakPolarHBondContact O-CG 3.34Å; L423-L427 PolarHBondContact O-N 3.09Å; L423-L427 VanDerWaalsContact O-N 3.1Å; L423-L540 HydrophobicContact CD2-CD1 3.63Å; L423-L544 HydrophobicContact CD2-CD1 4.33Å; L423-L544 HydrophobicContact CD2-CD2 4.47Å |
| 424 | L | 88.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | -175.1 | -69.4 | 177.7 | 0 | 0 | 0 | 113.3 | I420 N421 S426 L427 S428 Y432 L465 S543 L544 | I420-L424 HydrophobicContact CG2-CD1 3.6Å; I420-L424 HydrophobicContact CG2-CG 4.16Å; I420-L424 WeakPolarHBondContact O-CB 3.38Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.43Å; I420-L424 PolarHBondContact O-N 3.46Å; N421-L424 PolarHBondContact O-N 3.4Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-L427 PolarHBondContact O-N 3.08Å; L424-S428 PolarHBondContact O-N 3.42Å; L424-S428 PolarHBondContact O-OG 3.25Å; L424-Y432 HydrophobicContact CB-CD2 4.03Å; L424-Y432 HydrophobicContact CB-CE1 4.23Å; L424-Y432 HydrophobicContact CB-CE2 3.57Å; L424-Y432 HydrophobicContact CB-CG 4.5Å; L424-Y432 HydrophobicContact CD1-CE1 4.07Å; L424-Y432 HydrophobicContact CD1-CE2 4.47Å; L424-Y432 WeakPolarHBondContact CD1-OH 3.24Å; L424-Y432 HydrophobicContact CD2-CE2 4.35Å; L424-Y432 HydrophobicContact CG-CE2 4.38Å; L424-Y432 WeakPolarHBondContact O-CD2 3.41Å; L424-L465 HydrophobicContact CD2-CD2 4.16Å; L424-S543 VanDerWaalsContact CD2-CB 3.48Å; L424-L544 HydrophobicContact CD2-CD2 4.21Å |
| 425 | I | 86.6 | Confident | 79.2 | Confident | 9.5 Ų | 9.5 | 30.1 Ų | 30.1 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -37.7 | 174.7 | -68.2 | 166.4 | 0 | 0 | 0 | 110.4 | I286 I289 Y290 N421 L423 L427 P429 Y432 | I286-I425 HydrophobicContact CD1-CD1 4.36Å; I286-I425 HydrophobicContact CG1-CD1 4.33Å; I286-I425 HydrophobicContact CG2-CD1 3.75Å; I289-I425 HydrophobicContact CB-CG2 4.42Å; I289-I425 HydrophobicContact CD1-CG2 4.25Å; I289-I425 HydrophobicContact CG2-CG2 3.96Å; Y290-I425 HydrophobicContact CE1-CG2 4.25Å; Y290-I425 HydrophobicContact CE2-CD1 4.28Å; Y290-I425 HydrophobicContact CE2-CG2 4.14Å; N421-I425 HydrophobicContact CB-CD1 4.25Å; N421-I425 VanDerWaalsContact O-CB 3.25Å; N421-I425 WeakPolarHBondContact O-CB 3.37Å; N421-I425 WeakPolarHBondContact O-CD1 3.22Å; N421-I425 WeakPolarHBondContact O-CG1 3.41Å; N421-I425 PolarHBondContact O-N 3.16Å; L423-I425 PolarHBondContact O-N 3.25Å; I425-L427 VanDerWaalsContact C-N 3.31Å; I425-L427 PolarHBondContact O-N 3.43Å; I425-P429 VanDerWaalsContact O-CA 3.23Å; I425-P429 WeakPolarHBondContact O-CA 3.25Å; I425-P429 WeakPolarHBondContact O-CB 3.3Å; I425-P429 VanDerWaalsContact O-CD 3.22Å; I425-P429 WeakPolarHBondContact O-CD 3.22Å; I425-P429 VanDerWaalsContact O-CG 3.25Å; I425-P429 WeakPolarHBondContact O-CG 2.91Å; I425-P429 VanDerWaalsContact O-N 3.1Å; I425-Y432 HydrophobicContact CG1-CG 4.42Å |
| 426 | S | 86.3 | Confident | 76.4 | Confident | 18.5 Ų | 18.5 | 34.5 Ų | 34.5 | 13% | 0.129 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -33.5 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 113.3 | L198 M359 L422 L423 L424 | L198-S426 PolarHBondContact N-O 3.39Å; M359-S426 WeakPolarHBondContact CG-OG 3.41Å; L422-S426 VanDerWaalsContact O-CB 3.3Å; L422-S426 WeakPolarHBondContact O-CB 3.3Å; L422-S426 PolarHBondContact O-N 3.13Å; L422-S426 PolarHBondContact O-OG 3.07Å; L423-S426 PolarHBondContact O-N 3.13Å; L423-S426 PolarHBondContact O-OG 2.99Å; L424-S426 VanDerWaalsContact C-N 3.33Å |
| 427 | L | 86.3 | Confident | 73.4 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83 | -37.3 | -179.2 | -68.2 | 168.6 | 0 | 0 | 0 | 112.7 | Y197 L199 L360 L423 L424 I425 L465 I466 L544 | Y197-L427 HydrophobicContact CD1-CB 4.45Å; Y197-L427 HydrophobicContact CD1-CD2 3.98Å; Y197-L427 VanDerWaalsContact CD1-O 3.26Å; Y197-L427 WeakPolarHBondContact CD1-O 3.48Å; Y197-L427 HydrophobicContact CE1-CD2 4.15Å; L199-L427 HydrophobicContact CD2-CD2 4.38Å; L360-L427 HydrophobicContact CD2-CD2 4.33Å; L423-L427 HydrophobicContact CD1-CD1 3.92Å; L423-L427 HydrophobicContact CD1-CG 4.39Å; L423-L427 HydrophobicContact CG-CD1 3.93Å; L423-L427 VanDerWaalsContact O-CG 3.31Å; L423-L427 WeakPolarHBondContact O-CG 3.34Å; L423-L427 PolarHBondContact O-N 3.09Å; L423-L427 VanDerWaalsContact O-N 3.1Å; L424-L427 PolarHBondContact O-N 3.08Å; I425-L427 VanDerWaalsContact C-N 3.31Å; I425-L427 PolarHBondContact O-N 3.43Å; L427-L465 HydrophobicContact CB-CD2 3.76Å; L427-L465 HydrophobicContact CB-CG 4.1Å; L427-L465 HydrophobicContact CD1-CD2 3.84Å; L427-L465 HydrophobicContact CD1-CG 4.35Å; L427-L465 HydrophobicContact CG-CD2 4.46Å; L427-I466 HydrophobicContact CD1-CD1 3.68Å; L427-I466 HydrophobicContact CD1-CG1 3.81Å; L427-I466 HydrophobicContact CD2-CD1 4.29Å; L427-I466 HydrophobicContact CD2-CG1 4.03Å; L427-L544 HydrophobicContact CD1-CD2 3.75Å |
| 428 | S | 80.2 | Confident | 70.6 | Confident | 17.5 Ų | 17.5 | 45 Ų | 45 | 12% | 0.122 | 22% | 0.219 | C | C | . | . | trans | -147.1 | 70.4 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | L424 H430 R431 Y432 | L424-S428 PolarHBondContact O-N 3.42Å; L424-S428 PolarHBondContact O-OG 3.25Å; S428-H430 VanDerWaalsContact C-N 3.27Å; S428-H430 PolarHBondContact O-N 3.06Å; S428-H430 VanDerWaalsContact O-N 3.16Å; S428-R431 PolarHBondContact O-N 2.99Å; S428-R431 VanDerWaalsContact O-N 3.1Å; S428-Y432 WeakPolarHBondContact O-CD2 3.39Å; S428-Y432 PolarHBondContact O-N 3.34Å; S428-Y432 VanDerWaalsContact OG-CE2 3.3Å; S428-Y432 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 429 | P | 75 | Confident | 68 | Low | 12.5 Ų | 12.5 | 48.4 Ų | 48.4 | 8% | 0.081 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | -172.2 | 5.6 | -10.1 | 0 | 0 | 0 | 112.1 | L293 I425 R431 Y432 T433 | L293-P429 HydrophobicContact CD1-CB 3.2Å; L293-P429 HydrophobicContact CD1-CG 3.49Å; L293-P429 VanDerWaalsContact CD1-CG 3.49Å; L293-P429 HydrophobicContact CD2-CG 4.07Å; L293-P429 HydrophobicContact CG-CB 4.48Å; L293-P429 HydrophobicContact CG-CG 4.42Å; I425-P429 VanDerWaalsContact O-CA 3.23Å; I425-P429 WeakPolarHBondContact O-CA 3.25Å; I425-P429 WeakPolarHBondContact O-CB 3.3Å; I425-P429 VanDerWaalsContact O-CD 3.22Å; I425-P429 WeakPolarHBondContact O-CD 3.22Å; I425-P429 VanDerWaalsContact O-CG 3.25Å; I425-P429 WeakPolarHBondContact O-CG 2.91Å; I425-P429 VanDerWaalsContact O-N 3.1Å; P429-R431 VanDerWaalsContact C-N 3.32Å; P429-R431 PolarHBondContact O-N 3.26Å; P429-Y432 PolarHBondContact O-N 3.39Å; P429-T433 PolarHBondContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 3.06Å |
| 430 | H | 67.2 | Low | 65 | Low | 112 Ų | 112 | 51.5 Ų | 51.5 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -34.2 | -179.4 | -57.6 | -47.2 | 0 | 0 | 0 | 114.2 | S428 Y432 T433 N434 | S428-H430 VanDerWaalsContact C-N 3.27Å; S428-H430 PolarHBondContact O-N 3.06Å; S428-H430 VanDerWaalsContact O-N 3.16Å; H430-Y432 VanDerWaalsContact C-N 3.33Å; H430-T433 VanDerWaalsContact CA-OG1 3.31Å; H430-T433 WeakPolarHBondContact CA-OG1 3.04Å; H430-T433 PolarHBondContact O-OG1 3.17Å; H430-N434 PolarHBondContact O-N 2.91Å |
| 431 | R | 65 | Low | 62.2 | Low | 135 Ų | 135 | 58.6 Ų | 58.6 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 178.9 | -121.1 | -176.4 | -165.8 | 179 | 2.8 | 110.9 | S428 P429 Q435 | S428-R431 PolarHBondContact O-N 2.99Å; S428-R431 VanDerWaalsContact O-N 3.1Å; P429-R431 VanDerWaalsContact C-N 3.32Å; P429-R431 PolarHBondContact O-N 3.26Å; R431-Q435 PolarHBondContact O-N 2.97Å |
| 432 | Y | 64 | Low | 59.6 | Low | 24 Ų | 24 | 64.4 Ų | 64.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -90.3 | -17.8 | -176.3 | -67 | -79.2 | 0 | 0 | 0 | 113.2 | L424 I425 S428 P429 H430 F436 S543 | L424-Y432 HydrophobicContact CB-CD2 4.03Å; L424-Y432 HydrophobicContact CB-CE1 4.23Å; L424-Y432 HydrophobicContact CB-CE2 3.57Å; L424-Y432 HydrophobicContact CB-CG 4.5Å; L424-Y432 HydrophobicContact CD1-CE1 4.07Å; L424-Y432 HydrophobicContact CD1-CE2 4.47Å; L424-Y432 WeakPolarHBondContact CD1-OH 3.24Å; L424-Y432 HydrophobicContact CD2-CE2 4.35Å; L424-Y432 HydrophobicContact CG-CE2 4.38Å; L424-Y432 WeakPolarHBondContact O-CD2 3.41Å; I425-Y432 HydrophobicContact CG1-CG 4.42Å; S428-Y432 WeakPolarHBondContact O-CD2 3.39Å; S428-Y432 PolarHBondContact O-N 3.34Å; S428-Y432 VanDerWaalsContact OG-CE2 3.3Å; S428-Y432 WeakPolarHBondContact OG-CE2 3.42Å; P429-Y432 PolarHBondContact O-N 3.39Å; H430-Y432 VanDerWaalsContact C-N 3.33Å; Y432-F436 WeakPolarHBondContact O-CD2 3.43Å; Y432-F436 WeakPolarHBondContact O-CE2 3.45Å; Y432-S543 WeakPolarHBondContact OH-CB 3.49Å; Y432-S543 PolarHBondContact OH-OG 3.44Å |
| 433 | T | 57.5 | Low | 56.9 | Low | 52 Ų | 52 | 69.4 Ų | 69.4 | 32% | 0.319 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 167.5 | 6 | 0 | 0 | 0 | 0 | 111.9 | Y290 P429 H430 F436 | Y290-T433 HydrophobicContact CE1-CG2 4.17Å; P429-T433 PolarHBondContact O-N 3.13Å; P429-T433 PolarHBondContact O-OG1 3.06Å; H430-T433 VanDerWaalsContact CA-OG1 3.31Å; H430-T433 WeakPolarHBondContact CA-OG1 3.04Å; H430-T433 PolarHBondContact O-OG1 3.17Å; T433-F436 PolarHBondContact O-N 3.03Å |
| 434 | N | 42 | Very low | 54.1 | Low | 87.5 Ų | 87.5 | 78 Ų | 78 | 47% | 0.468 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -81.6 | -28.9 | -172.9 | -72.9 | 3 | 0 | 0 | 0 | 113.4 | H430 F436 N437 E438 | H430-N434 PolarHBondContact O-N 2.91Å; N434-F436 PolarHBondContact O-N 3.02Å; N434-F436 VanDerWaalsContact O-N 3.16Å; N434-N437 PolarHBondContact O-N 3.21Å; N434-E438 PolarHBondContact O-N 3.24Å |
| 435 | Q | 42.9 | Very low | 51.6 | Low | 103 Ų | 103 | 81.9 Ų | 81.9 | 48% | 0.481 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -23.9 | 174.1 | -90.4 | -172 | -17.2 | 0 | 0 | 113.3 | R431 N437 V439 | R431-Q435 PolarHBondContact O-N 2.97Å; Q435-N437 PolarHBondContact O-N 2.83Å; Q435-N437 VanDerWaalsContact O-N 3.15Å; Q435-V439 HydrophobicContact CB-CG2 4.39Å; Q435-V439 HydrophobicContact CG-CG2 4.07Å |
| 436 | F | 35.5 | Very low | 49.4 | Very low | 91 Ų | 91 | 87.5 Ų | 87.5 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -22.4 | 171.6 | -79.6 | -77.9 | 0 | 0 | 0 | 113.1 | Y432 T433 N434 Y1314 | Y432-F436 WeakPolarHBondContact O-CD2 3.43Å; Y432-F436 WeakPolarHBondContact O-CE2 3.45Å; T433-F436 PolarHBondContact O-N 3.03Å; N434-F436 PolarHBondContact O-N 3.02Å; N434-F436 VanDerWaalsContact O-N 3.16Å; F436-Y1314 HydrophobicContact CD1-CD2 4.37Å; F436-Y1314 HydrophobicContact CD1-CE2 4.09Å; F436-Y1314 HydrophobicContact CE1-CD2 4.41Å; F436-Y1314 AromaticContact CE1-CE2 3.7Å; F436-Y1314 HydrophobicContact CE1-CE2 3.7Å |
| 437 | N | 30.7 | Very low | 47.5 | Very low | 97.5 Ų | 97.5 | 90.9 Ų | 90.9 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -111.8 | -40 | -176.8 | -68.4 | -14.3 | 0 | 0 | 0 | 114.2 | N434 Q435 | N434-N437 PolarHBondContact O-N 3.21Å; Q435-N437 PolarHBondContact O-N 2.83Å; Q435-N437 VanDerWaalsContact O-N 3.15Å |
| 438 | E | 29.8 | Very low | 45.6 | Very low | 132 Ų | 132 | 91.3 Ų | 91.3 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -83.7 | -30.7 | -168.8 | -77.7 | -176.5 | 162.3 | 0 | 0 | 114.7 | N434 C440 Q441 | N434-E438 PolarHBondContact O-N 3.24Å; E438-C440 PolarHBondContact O-N 3.2Å; E438-C440 VanDerWaalsContact O-N 3.11Å; E438-Q441 PolarHBondContact O-N 3.14Å |
| 439 | V | 33.1 | Very low | 44.1 | Very low | 76 Ų | 76 | 91.8 Ų | 91.8 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.1 | -21.3 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | Q435 Q441 | Q435-V439 HydrophobicContact CB-CG2 4.39Å; Q435-V439 HydrophobicContact CG-CG2 4.07Å; V439-Q441 PolarHBondContact O-N 3.39Å |
| 440 | C | 31.5 | Very low | 43 | Very low | 64.5 Ų | 64.5 | 92.5 Ų | 92.5 | 44% | 0.436 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.6 | -22.8 | 177.7 | -68.1 | 0 | 0 | 0 | 0 | 114.3 | E438 Y1314 | E438-C440 PolarHBondContact O-N 3.2Å; E438-C440 VanDerWaalsContact O-N 3.11Å; C440-Y1314 PolarHBondContact SG-O 3.06Å; C440-Y1314 VanDerWaalsContact SG-O 3.36Å |
| 441 | Q | 32.5 | Very low | 42.3 | Very low | 150.5 Ų | 150.5 | 87.5 Ų | 87.5 | 70% | 0.703 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -90.9 | -27.3 | -172.6 | -72.2 | -173.6 | -1.3 | 0 | 0 | 114.5 | E438 V439 | E438-Q441 PolarHBondContact O-N 3.14Å; V439-Q441 PolarHBondContact O-N 3.39Å |
| 442 | N | 33.5 | Very low | 41.9 | Very low | 139.5 Ų | 139.5 | 81.2 Ų | 81.2 | 75% | 0.746 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -105.7 | -11.4 | -170.4 | -73.3 | -8.8 | 0 | 0 | 0 | 115.5 | ||
| 443 | N | 34.1 | Very low | 41.7 | Very low | 105.5 Ų | 105.5 | 82 Ų | 82 | 56% | 0.564 | 43% | 0.431 | S | S | * | . | trans | -110.8 | 65.1 | -179.1 | -70.8 | -7.9 | 0 | 0 | 0 | 111.8 | T445 | N443-T445 PolarHBondContact O-N 2.85Š| ||
| 444 | Q | 33.7 | Very low | 41.8 | Very low | 179.5 Ų | 179.5 | 81.4 Ų | 81.4 | 84% | 0.839 | 43% | 0.429 | S | S | * | . | trans | -69.2 | 37.7 | 163.4 | -72.3 | -173.9 | -13.1 | 0 | 0 | 112.6 | N446 | Q444-N446 PolarHBondContact O-N 3.03Š| ||
| 445 | T | 36.5 | Very low | 42.9 | Very low | 82 Ų | 82 | 77.6 Ų | 77.6 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | trans | -99.4 | 104.7 | 167.9 | 52.3 | 0 | 0 | 0 | 0 | 107.3 | N443 D447 | N443-T445 PolarHBondContact O-N 2.85Å; T445-D447 PolarHBondContact O-N 3.3Å | ||
| 446 | N | 39.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 73 Ų | 73 | 68% | 0.684 | 39% | 0.388 | S | S | * | . | trans | -62.8 | 20 | 171.9 | -71.6 | -21.6 | 0 | 0 | 0 | 113 | Q444 P448 | Q444-N446 PolarHBondContact O-N 3.03Å; N446-P448 WeakPolarHBondContact O-CD 3.36Å | ||
| 447 | D | 46 | Very low | 45.8 | Very low | 90 Ų | 90 | 72.1 Ų | 72.1 | 48% | 0.481 | 39% | 0.387 | S | S | . | . | trans | -86.8 | 110.8 | -173.1 | -157.3 | -10.5 | 0 | 0 | 0 | 109.4 | T445 M449 S450 | T445-D447 PolarHBondContact O-N 3.3Å; D447-M449 PolarHBondContact O-N 2.91Å; D447-M449 VanDerWaalsContact O-N 3.09Å; D447-M449 VanDerWaalsContact OD1-CB 3.26Å; D447-M449 WeakPolarHBondContact OD1-CB 3.01Å; D447-M449 PolarHBondContact OD1-N 3.39Å; D447-S450 WeakPolarHBondContact O-CB 3.49Å; D447-S450 PolarHBondContact O-N 3.21Å; D447-S450 PolarHBondContact O-OG 3.18Å | ||
| 448 | P | 46.1 | Very low | 47.7 | Very low | 37 Ų | 37 | 69.7 Ų | 69.7 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -7.3 | 176.9 | 25.6 | -35.1 | 0 | 0 | 0 | 113.3 | N446 S450 F451 | N446-P448 WeakPolarHBondContact O-CD 3.36Å; P448-S450 VanDerWaalsContact C-N 3.26Å; P448-S450 PolarHBondContact O-N 3.06Å; P448-F451 WeakPolarHBondContact O-CB 3.08Å; P448-F451 PolarHBondContact O-N 3.41Å; P448-F451 VanDerWaalsContact O-N 3.15Å |
| 449 | M | 49.2 | Very low | 49.7 | Very low | 29 Ų | 29 | 68.7 Ų | 68.7 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -74.9 | -1.9 | 173.4 | -103.9 | 2.2 | -118.7 | 0 | 0 | 113.7 | D447 F451 V452 N453 L572 | D447-M449 PolarHBondContact O-N 2.91Å; D447-M449 VanDerWaalsContact O-N 3.09Å; D447-M449 VanDerWaalsContact OD1-CB 3.26Å; D447-M449 WeakPolarHBondContact OD1-CB 3.01Å; D447-M449 PolarHBondContact OD1-N 3.39Å; M449-F451 PolarHBondContact O-N 3.14Å; M449-V452 HydrophobicContact CB-CB 4.4Å; M449-V452 HydrophobicContact CE-CB 4.14Å; M449-V452 HydrophobicContact CE-CG2 3.83Å; M449-V452 VanDerWaalsContact CE-CG2 3.46Å; M449-V452 WeakPolarHBondContact O-CA 3.33Å; M449-V452 VanDerWaalsContact O-CB 3.28Å; M449-V452 WeakPolarHBondContact O-CB 3.27Å; M449-V452 PolarHBondContact O-N 3.11Å; M449-V452 HydrophobicContact SD-CG2 4.32Å; M449-N453 VanDerWaalsContact O-CB 3.25Å; M449-N453 WeakPolarHBondContact O-CB 3.22Å; M449-N453 PolarHBondContact O-N 2.93Å; M449-N453 PolarHBondContact O-OD1 3.17Å; M449-L572 HydrophobicContact CE-CB 3.66Å; M449-L572 HydrophobicContact CE-CD2 3.96Å; M449-L572 HydrophobicContact CE-CG 4.45Å; M449-L572 WeakPolarHBondContact CE-O 3.38Å |
| 450 | S | 51.8 | Low | 52 | Low | 26 Ų | 26 | 66.3 Ų | 66.3 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.5 | -26.5 | 174.8 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | D447 P448 N453 S454 T1311 F1381 | D447-S450 WeakPolarHBondContact O-CB 3.49Å; D447-S450 PolarHBondContact O-N 3.21Å; D447-S450 PolarHBondContact O-OG 3.18Å; P448-S450 VanDerWaalsContact C-N 3.26Å; P448-S450 PolarHBondContact O-N 3.06Å; S450-N453 PolarHBondContact O-N 2.69Å; S450-S454 WeakPolarHBondContact O-CA 3.24Å; S450-S454 WeakPolarHBondContact O-CB 3.42Å; S450-S454 PolarHBondContact O-N 3.42Å; S450-S454 PolarHBondContact O-OG 3.41Å; S450-T1311 PolarHBondContact O-OG1 3.18Å; S450-T1311 PolarHBondContact OG-OG1 2.82Å; S450-T1311 VanDerWaalsContact OG-OG1 3.12Å; S450-F1381 WeakPolarHBondContact OG-CE1 3.26Å |
| 451 | F | 52.7 | Low | 54.4 | Low | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -53.6 | 173 | 166.9 | -100.8 | 0 | 0 | 0 | 111.5 | P448 M449 N453 S454 V455 F531 T535 P1275 H1309 T1311 | P448-F451 WeakPolarHBondContact O-CB 3.08Å; P448-F451 PolarHBondContact O-N 3.41Å; P448-F451 VanDerWaalsContact O-N 3.15Å; M449-F451 PolarHBondContact O-N 3.14Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.33Å; F451-S454 WeakPolarHBondContact CA-OG 3.19Å; F451-S454 WeakPolarHBondContact O-CA 3.49Å; F451-S454 WeakPolarHBondContact O-CB 3.28Å; F451-S454 PolarHBondContact O-N 3.11Å; F451-S454 PolarHBondContact O-OG 3.16Å; F451-V455 HydrophobicContact CD2-CG2 4.33Å; F451-V455 HydrophobicContact CE2-CG2 3.85Å; F451-V455 HydrophobicContact CZ-CG2 4.01Å; F451-V455 PolarHBondContact O-N 2.82Å; F451-F531 AromaticContact CE1-CD1 3.96Å; F451-F531 HydrophobicContact CE1-CD1 3.96Å; F451-F531 HydrophobicContact CE1-CE1 4.08Å; F451-F531 HydrophobicContact CE2-CD1 4.49Å; F451-F531 AromaticContact CZ-CD1 3.53Å; F451-F531 HydrophobicContact CZ-CD1 3.53Å; F451-F531 HydrophobicContact CZ-CE1 4.07Å; F451-T535 WeakPolarHBondContact CE2-OG1 3.42Å; F451-P1275 HydrophobicContact CB-CB 4.49Å; F451-P1275 HydrophobicContact CB-CG 4.2Å; F451-H1309 HydrophobicContact CD2-CB 4.17Å; F451-H1309 AromaticContact CD2-ND1 3.54Å; F451-H1309 AromaticContact CE2-ND1 3.54Å; F451-H1309 AromaticContact CG-ND1 3.86Å; F451-H1309 AromaticContact CZ-ND1 3.92Å; F451-T1311 PolarHBondContact N-OG1 3.15Å |
| 452 | V | 56.8 | Low | 56.6 | Low | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | -177.8 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | M449 S454 V455 F456 F531 L572 I573 | M449-V452 HydrophobicContact CB-CB 4.4Å; M449-V452 HydrophobicContact CE-CB 4.14Å; M449-V452 HydrophobicContact CE-CG2 3.83Å; M449-V452 VanDerWaalsContact CE-CG2 3.46Å; M449-V452 WeakPolarHBondContact O-CA 3.33Å; M449-V452 VanDerWaalsContact O-CB 3.28Å; M449-V452 WeakPolarHBondContact O-CB 3.27Å; M449-V452 PolarHBondContact O-N 3.11Å; M449-V452 HydrophobicContact SD-CG2 4.32Å; V452-S454 PolarHBondContact O-N 2.84Å; V452-V455 PolarHBondContact O-N 3.38Å; V452-F456 HydrophobicContact CG1-CD2 3.57Å; V452-F456 HydrophobicContact CG1-CE2 3.92Å; V452-F456 WeakPolarHBondContact O-CD2 3.37Å; V452-F456 PolarHBondContact O-N 3.14Å; V452-F531 HydrophobicContact CG1-CZ 4.38Å; V452-L572 HydrophobicContact CG1-CB 3.74Å; V452-L572 WeakPolarHBondContact CG1-O 3.41Å; V452-I573 HydrophobicContact CB-CD1 4.12Å; V452-I573 HydrophobicContact CB-CG1 3.97Å; V452-I573 HydrophobicContact CG1-CB 3.96Å; V452-I573 HydrophobicContact CG1-CD1 3.46Å; V452-I573 VanDerWaalsContact CG1-CD1 3.46Å; V452-I573 HydrophobicContact CG1-CG1 3.37Å; V452-I573 HydrophobicContact CG1-CG2 3.42Å; V452-I573 VanDerWaalsContact CG1-CG2 3.42Å; V452-I573 HydrophobicContact CG2-CD1 3.95Å; V452-I573 HydrophobicContact CG2-CG1 3.51Å |
| 453 | N | 58.8 | Low | 58.9 | Low | 40.5 Ų | 40.5 | 61.5 Ų | 61.5 | 22% | 0.217 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 173.3 | -69.1 | -8.2 | 0 | 0 | 0 | 111.9 | M449 S450 F451 V455 F456 L457 I458 N574 | M449-N453 VanDerWaalsContact O-CB 3.25Å; M449-N453 WeakPolarHBondContact O-CB 3.22Å; M449-N453 PolarHBondContact O-N 2.93Å; M449-N453 PolarHBondContact O-OD1 3.17Å; S450-N453 PolarHBondContact O-N 2.69Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.33Å; N453-V455 VanDerWaalsContact C-N 3.3Å; N453-V455 PolarHBondContact O-N 3.02Å; N453-F456 PolarHBondContact O-N 2.9Å; N453-L457 HydrophobicContact CB-CB 4.32Å; N453-L457 HydrophobicContact CB-CD1 3.9Å; N453-L457 HydrophobicContact CB-CG 4.43Å; N453-L457 CarbonylContact O-C 3.39Å; N453-L457 VanDerWaalsContact O-CA 3.23Å; N453-L457 WeakPolarHBondContact O-CA 3.31Å; N453-L457 VanDerWaalsContact O-CB 3.31Å; N453-L457 WeakPolarHBondContact O-CB 3.34Å; N453-L457 WeakPolarHBondContact O-CG 3.45Å; N453-L457 PolarHBondContact O-N 2.82Å; N453-L457 WeakPolarHBondContact OD1-CD1 3.46Å; N453-I458 PolarHBondContact O-N 3.49Å; N453-N574 PolarHBondContact ND2-O 3.12Å; N453-N574 PolarHBondContact OD1-N 2.7Å |
| 454 | S | 59.6 | Low | 61.4 | Low | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.6 | -33 | -179.5 | 72.7 | 0 | 0 | 0 | 0 | 114.1 | S450 F451 V452 I458 T1311 | S450-S454 WeakPolarHBondContact O-CA 3.24Å; S450-S454 WeakPolarHBondContact O-CB 3.42Å; S450-S454 PolarHBondContact O-N 3.42Å; S450-S454 PolarHBondContact O-OG 3.41Å; F451-S454 WeakPolarHBondContact CA-OG 3.19Å; F451-S454 WeakPolarHBondContact O-CA 3.49Å; F451-S454 WeakPolarHBondContact O-CB 3.28Å; F451-S454 PolarHBondContact O-N 3.11Å; F451-S454 PolarHBondContact O-OG 3.16Å; V452-S454 PolarHBondContact O-N 2.84Å; S454-I458 WeakPolarHBondContact O-CD1 3.25Å; S454-I458 WeakPolarHBondContact O-CG1 3.48Å; S454-T1311 VanDerWaalsContact CB-CG2 3.41Å; S454-T1311 WeakPolarHBondContact OG-CG2 3.5Å |
| 455 | V | 66.5 | Low | 63.8 | Low | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -86.9 | -38.1 | 179.8 | 178 | 0 | 0 | 0 | 0 | 110.8 | F451 V452 N453 I458 T535 F538 G585 L586 | F451-V455 HydrophobicContact CD2-CG2 4.33Å; F451-V455 HydrophobicContact CE2-CG2 3.85Å; F451-V455 HydrophobicContact CZ-CG2 4.01Å; F451-V455 PolarHBondContact O-N 2.82Å; V452-V455 PolarHBondContact O-N 3.38Å; N453-V455 VanDerWaalsContact C-N 3.3Å; N453-V455 PolarHBondContact O-N 3.02Å; V455-I458 WeakPolarHBondContact O-CD1 3.21Å; V455-I458 WeakPolarHBondContact O-CG1 3.23Å; V455-T535 HydrophobicContact CG1-CG2 3.99Å; V455-F538 HydrophobicContact CB-CD1 4.42Å; V455-F538 HydrophobicContact CG1-CD1 4.21Å; V455-F538 HydrophobicContact CG2-CD1 4.5Å; V455-F538 WeakPolarHBondContact O-CD1 3.39Å; V455-F538 WeakPolarHBondContact O-CE1 3.38Å; V455-G585 CarbonylContact O-C 3.59Å; V455-G585 WeakPolarHBondContact O-CA 3.37Å; V455-L586 HydrophobicContact CG1-CB 3.67Å; V455-L586 HydrophobicContact CG1-CD2 3.7Å; V455-L586 HydrophobicContact CG1-CG 4.28Å; V455-L586 WeakPolarHBondContact O-CB 3.34Å; V455-L586 PolarHBondContact O-N 2.87Å |
| 456 | F | 71 | Confident | 66.2 | Low | 5.5 Ų | 5.5 | 47.4 Ų | 47.4 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -100.2 | -16.4 | -174.1 | -71.5 | -82.8 | 0 | 0 | 0 | 114.7 | V452 N453 F531 I534 T535 F538 L566 V569 I573 I584 G585 L586 P587 | V452-F456 HydrophobicContact CG1-CD2 3.57Å; V452-F456 HydrophobicContact CG1-CE2 3.92Å; V452-F456 WeakPolarHBondContact O-CD2 3.37Å; V452-F456 PolarHBondContact O-N 3.14Å; N453-F456 PolarHBondContact O-N 2.9Å; F456-F531 HydrophobicContact CE2-CE2 4.25Å; F456-F531 AromaticContact CE2-CZ 4Å; F456-F531 HydrophobicContact CE2-CZ 4Å; F456-I534 HydrophobicContact CE1-CG2 3.6Å; F456-I534 HydrophobicContact CZ-CG2 3.76Å; F456-T535 HydrophobicContact CE2-CG2 4.14Å; F456-T535 HydrophobicContact CZ-CG2 3.89Å; F456-F538 HydrophobicContact CD1-CD1 4.07Å; F456-L566 HydrophobicContact CD1-CD1 4.5Å; F456-L566 HydrophobicContact CE1-CD1 3.5Å; F456-L566 VanDerWaalsContact CE1-CD1 3.5Å; F456-L566 HydrophobicContact CZ-CD1 3.92Å; F456-V569 HydrophobicContact CD2-CG2 4.28Å; F456-V569 HydrophobicContact CE1-CG2 4.36Å; F456-V569 HydrophobicContact CE2-CB 4.17Å; F456-V569 HydrophobicContact CE2-CG1 3.92Å; F456-V569 HydrophobicContact CE2-CG2 4.1Å; F456-V569 HydrophobicContact CG-CG2 4.5Å; F456-V569 HydrophobicContact CZ-CB 4.16Å; F456-V569 HydrophobicContact CZ-CG1 4.21Å; F456-V569 HydrophobicContact CZ-CG2 4.13Å; F456-I573 HydrophobicContact CB-CD1 3.93Å; F456-I573 HydrophobicContact CB-CG1 3.99Å; F456-I573 HydrophobicContact CD1-CD1 3.79Å; F456-I573 HydrophobicContact CD2-CD1 2.95Å; F456-I573 HydrophobicContact CD2-CG1 4.44Å; F456-I573 HydrophobicContact CE1-CD1 3.93Å; F456-I573 HydrophobicContact CE2-CD1 3.15Å; F456-I573 HydrophobicContact CG-CD1 3.76Å; F456-I573 HydrophobicContact CG-CG1 4.42Å; F456-I573 HydrophobicContact CZ-CD1 3.64Å; F456-I584 CarbonylContact O-C 3.59Å; F456-G585 CarbonylContact O-C 3.53Å; F456-G585 WeakPolarHBondContact O-CA 3.27Å; F456-G585 PolarHBondContact O-N 2.99Å; F456-L586 HydrophobicContact CB-CB 4.49Å; F456-L586 HydrophobicContact CD1-CB 4.05Å; F456-L586 HydrophobicContact CD1-CD2 3.76Å; F456-L586 HydrophobicContact CD1-CG 4.49Å; F456-L586 HydrophobicContact CE1-CD2 4.01Å; F456-L586 PolarHBondContact O-N 2.86Å; F456-P587 HydrophobicContact CD1-CG 3.79Å; F456-P587 HydrophobicContact CE1-CG 4.07Å |
| 457 | L | 67.4 | Low | 68.2 | Low | 73 Ų | 73 | 46.9 Ų | 46.9 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 19.7 | 178.9 | -54 | 178.9 | 0 | 0 | 0 | 112.8 | N453 V459 I573 I584 | N453-L457 HydrophobicContact CB-CB 4.32Å; N453-L457 HydrophobicContact CB-CD1 3.9Å; N453-L457 HydrophobicContact CB-CG 4.43Å; N453-L457 CarbonylContact O-C 3.39Å; N453-L457 VanDerWaalsContact O-CA 3.23Å; N453-L457 WeakPolarHBondContact O-CA 3.31Å; N453-L457 VanDerWaalsContact O-CB 3.31Å; N453-L457 WeakPolarHBondContact O-CB 3.34Å; N453-L457 WeakPolarHBondContact O-CG 3.45Å; N453-L457 PolarHBondContact O-N 2.82Å; N453-L457 WeakPolarHBondContact OD1-CD1 3.46Å; L457-V459 PolarHBondContact O-N 3.38Å; L457-V459 VanDerWaalsContact O-N 3.11Å; L457-I573 HydrophobicContact CD1-CG2 4.3Å; L457-I573 HydrophobicContact CD2-CG2 3.76Å; L457-I573 HydrophobicContact CG-CG2 4.15Å; L457-I584 VanDerWaalsContact C-CG2 3.46Å; L457-I584 HydrophobicContact CB-CG2 4.12Å; L457-I584 WeakPolarHBondContact O-CG2 3.37Å |
| 458 | I | 71.1 | Confident | 69.9 | Low | 47.5 Ų | 47.5 | 46.2 Ų | 46.2 | 24% | 0.244 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 121.7 | 170.9 | -66.6 | 176.9 | 0 | 0 | 0 | 109 | N453 S454 V455 P460 F538 I584 G585 | N453-I458 PolarHBondContact O-N 3.49Å; S454-I458 WeakPolarHBondContact O-CD1 3.25Å; S454-I458 WeakPolarHBondContact O-CG1 3.48Å; V455-I458 WeakPolarHBondContact O-CD1 3.21Å; V455-I458 WeakPolarHBondContact O-CG1 3.23Å; I458-P460 WeakPolarHBondContact O-CD 3.17Å; I458-F538 HydrophobicContact CD1-CE1 4.5Å; I458-I584 VanDerWaalsContact O-CG2 3.31Å; I458-I584 WeakPolarHBondContact O-CG2 3.45Å; I458-G585 VanDerWaalsContact O-CA 3.27Å; I458-G585 WeakPolarHBondContact O-CA 3.35Å; I458-G585 PolarHBondContact O-N 3.43Å |
| 459 | V | 72.8 | Confident | 71.6 | Confident | 110.5 Ų | 110.5 | 49.3 Ų | 49.3 | 67% | 0.67 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 122.3 | 170.9 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | L457 I584 | L457-V459 PolarHBondContact O-N 3.38Å; L457-V459 VanDerWaalsContact O-N 3.11Å; V459-I584 HydrophobicContact CG2-CG2 4.37Å |
| 460 | P | 79.4 | Confident | 73.3 | Confident | 26.5 Ų | 26.5 | 52.6 Ų | 52.6 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 143.9 | 178.8 | -22.4 | 31.7 | 0 | 0 | 0 | 111 | I458 P547 A588 Y589 | I458-P460 WeakPolarHBondContact O-CD 3.17Å; P460-P547 HydrophobicContact CB-CG 3.8Å; P460-P547 HydrophobicContact CG-CG 4.1Å; P460-A588 HydrophobicContact CG-CB 4.02Å; P460-Y589 HydrophobicContact CB-CE2 4.35Å; P460-Y589 HydrophobicContact CG-CE2 4.34Å |
| 461 | P | 82 | Confident | 74.9 | Confident | 20.5 Ų | 20.5 | 52.6 Ų | 52.6 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 143.8 | 178.3 | 29.1 | -33.1 | 0 | 0 | 0 | 109.4 | V463 S542 F545 T546 Y589 | P461-V463 VanDerWaalsContact C-N 3.3Å; P461-S542 WeakPolarHBondContact CD-O 3.19Å; P461-S542 WeakPolarHBondContact CG-O 3.3Å; P461-F545 VanDerWaalsContact CG-O 3.31Å; P461-F545 WeakPolarHBondContact CG-O 3.24Å; P461-T546 VanDerWaalsContact O-CG2 3.28Å; P461-T546 WeakPolarHBondContact O-CG2 3.37Å; P461-Y589 WeakPolarHBondContact CD-OH 3.05Å |
| 462 | T | 79.2 | Confident | 76.5 | Confident | 138 Ų | 138 | 52.8 Ų | 52.8 | 85% | 0.847 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75.1 | -23 | 177.3 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 463 | V | 81.3 | Confident | 77.7 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -142.5 | 140 | -179.7 | -174.5 | 0 | 0 | 0 | 0 | 108 | P461 | P461-V463 VanDerWaalsContact C-N 3.3Š|
| 464 | D | 87.2 | Confident | 79 | Confident | 36.5 Ų | 36.5 | 59.2 Ų | 59.2 | 20% | 0.195 | 35% | 0.345 | C | S | . | . | trans | -58.8 | 140 | 173.9 | -57.4 | -43.3 | 0 | 0 | 0 | 111.7 | R195 I466 L544 F545 T546 T549 | R195-D464 PolarHBondContact NH2-O 3.11Å; D464-I466 WeakPolarHBondContact CB-O 3.23Å; D464-L544 WeakPolarHBondContact CA-O 3.32Å; D464-F545 WeakPolarHBondContact OD1-CA 3.32Å; D464-T546 WeakPolarHBondContact OD1-CG2 3.38Å; D464-T546 PolarHBondContact OD1-N 3.11Å; D464-T549 WeakPolarHBondContact OD1-CB 3.43Å; D464-T549 WeakPolarHBondContact OD1-CG2 3.49Å; D464-T549 PolarHBondContact OD1-OG1 3.2Å; D464-T549 WeakPolarHBondContact OD2-CG2 3.47Å | ||
| 465 | L | 85 | Confident | 80.5 | Confident | 31.5 Ų | 31.5 | 57.5 Ų | 57.5 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -74.9 | -34.6 | 175 | -164.6 | 63.6 | 0 | 0 | 0 | 111.5 | Y197 L424 L427 L544 | Y197-L465 PolarHBondContact OH-O 3.12Å; L424-L465 HydrophobicContact CD2-CD2 4.16Å; L427-L465 HydrophobicContact CB-CD2 3.76Å; L427-L465 HydrophobicContact CB-CG 4.1Å; L427-L465 HydrophobicContact CD1-CD2 3.84Å; L427-L465 HydrophobicContact CD1-CG 4.35Å; L427-L465 HydrophobicContact CG-CD2 4.46Å; L465-L544 HydrophobicContact CB-CD2 4.36Å; L465-L544 HydrophobicContact CD2-CD2 4.11Å; L465-L544 PolarHBondContact N-O 3.19Å |
| 466 | I | 85.7 | Confident | 81.6 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -122.1 | 129.7 | 176 | -53.7 | 172.5 | 0 | 0 | 0 | 107.7 | L360 L427 D464 E470 L471 L544 | L360-I466 HydrophobicContact CD2-CD1 3.68Å; L427-I466 HydrophobicContact CD1-CD1 3.68Å; L427-I466 HydrophobicContact CD1-CG1 3.81Å; L427-I466 HydrophobicContact CD2-CD1 4.29Å; L427-I466 HydrophobicContact CD2-CG1 4.03Å; D464-I466 WeakPolarHBondContact CB-O 3.23Å; I466-E470 HydrophobicContact CG2-CB 4.1Å; I466-L471 HydrophobicContact CB-CD2 4.34Å; I466-L471 HydrophobicContact CD1-CD2 4.29Å; I466-L471 HydrophobicContact CG2-CD2 3.81Å; I466-L471 HydrophobicContact CG2-CG 4.29Å; I466-L544 HydrophobicContact CD1-CD1 4.3Å; I466-L544 HydrophobicContact CD1-CD2 3.68Å; I466-L544 HydrophobicContact CG1-CD2 4.05Å |
| 467 | K | 83.3 | Confident | 82.5 | Confident | 116 Ų | 116 | 64.8 Ų | 64.8 | 50% | 0.504 | 37% | 0.367 | S | S | . | . | trans | -68.1 | 142.5 | 173.4 | -65.3 | -179.6 | -172.7 | 162.9 | 0 | 109.6 | S469 E470 | K467-S469 PolarHBondContact O-N 3.3Å; K467-E470 HydrophobicContact CB-CG 4.21Å; K467-E470 IonicContact NZ-OE1 3.47Å; K467-E470 PolarHBondContact O-N 3.18Å | ||
| 468 | S | 80.7 | Confident | 83.7 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 53% | 0.531 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -55.3 | -27.4 | 177.7 | 56 | 0 | 0 | 0 | 0 | 113.8 | E470 | S468-E470 VanDerWaalsContact C-N 3.33Å; S468-E470 PolarHBondContact O-N 2.97Å |
| 469 | S | 81.7 | Confident | 84.8 | Confident | 101.5 Ų | 101.5 | 59.1 Ų | 59.1 | 71% | 0.71 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -74.3 | -16.6 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 115 | K467 | K467-S469 PolarHBondContact O-N 3.3Š|
| 470 | E | 84.3 | Confident | 85.7 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -102.1 | 3.3 | -176.2 | -66.3 | 170.7 | -172.2 | 0 | 0 | 112.1 | I466 K467 S468 | I466-E470 HydrophobicContact CG2-CB 4.1Å; K467-E470 HydrophobicContact CB-CG 4.21Å; K467-E470 IonicContact NZ-OE1 3.47Å; K467-E470 PolarHBondContact O-N 3.18Å; S468-E470 VanDerWaalsContact C-N 3.33Å; S468-E470 PolarHBondContact O-N 2.97Å |
| 471 | L | 86 | Confident | 86.3 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | trans | -73.1 | 133.9 | -179.3 | -68.8 | 168.9 | 0 | 0 | 0 | 111.2 | I466 F475 F545 V553 | I466-L471 HydrophobicContact CB-CD2 4.34Å; I466-L471 HydrophobicContact CD1-CD2 4.29Å; I466-L471 HydrophobicContact CG2-CD2 3.81Å; I466-L471 HydrophobicContact CG2-CG 4.29Å; L471-F475 HydrophobicContact CB-CB 4.4Å; L471-F475 HydrophobicContact CB-CG 4.46Å; L471-F475 HydrophobicContact CD1-CD1 4.23Å; L471-F475 HydrophobicContact CD1-CE1 4.16Å; L471-F475 HydrophobicContact CD1-CG 4.49Å; L471-F475 HydrophobicContact CD1-CZ 4.46Å; L471-F475 HydrophobicContact CD2-CD2 3.98Å; L471-F475 HydrophobicContact CD2-CE2 4.29Å; L471-F475 HydrophobicContact CD2-CG 4.21Å; L471-F545 HydrophobicContact CD1-CE1 4.28Å; L471-F545 HydrophobicContact CD1-CZ 4.1Å; L471-F545 HydrophobicContact CD2-CE1 4.24Å; L471-F545 HydrophobicContact CD2-CZ 3.82Å; L471-V553 HydrophobicContact CD1-CB 4.49Å; L471-V553 HydrophobicContact CD1-CG1 3.45Å; L471-V553 HydrophobicContact CD1-CG2 4.35Å | ||
| 472 | P | 86.3 | Confident | 86.8 | Confident | 11.5 Ų | 11.5 | 59.6 Ų | 59.6 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | trans | -67.6 | 154 | 177.6 | 28 | -33.2 | 0 | 0 | 0 | 111.1 | D361 F364 D474 F475 | D361-P472 WeakPolarHBondContact OD1-CB 3.39Å; F364-P472 HydrophobicContact CD2-CG 3.64Å; F364-P472 HydrophobicContact CE2-CG 4.1Å; P472-D474 PolarHBondContact O-N 3.38Å; P472-D474 VanDerWaalsContact O-N 3.17Å; P472-F475 HydrophobicContact CG-CB 4.31Å; P472-F475 WeakPolarHBondContact O-CB 3.39Å; P472-F475 PolarHBondContact O-N 3.16Å | ||
| 473 | P | 83.1 | Confident | 87.4 | Confident | 106 Ų | 106 | 53 Ų | 53 | 69% | 0.688 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.8 | -32.7 | -178.3 | 23.4 | -33.4 | 0 | 0 | 0 | 112.8 | F475 Y476 | P473-F475 VanDerWaalsContact C-N 3.28Å; P473-F475 PolarHBondContact O-N 2.93Å; P473-Y476 PolarHBondContact O-N 3.29Å; P473-Y476 VanDerWaalsContact O-N 3.15Å |
| 474 | D | 85.3 | Confident | 87.9 | Confident | 72.5 Ų | 72.5 | 50.1 Ų | 50.1 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.1 | -6.8 | 178.8 | -67.8 | -26.6 | 0 | 0 | 0 | 113.6 | F364 P472 Y476 T477 C478 | F364-D474 HydrophobicContact CB-CB 4.28Å; P472-D474 PolarHBondContact O-N 3.38Å; P472-D474 VanDerWaalsContact O-N 3.17Å; D474-Y476 PolarHBondContact O-N 2.7Å; D474-T477 WeakPolarHBondContact CA-OG1 3.34Å; D474-T477 PolarHBondContact O-OG1 2.98Å; D474-C478 WeakPolarHBondContact O-CB 3.37Å; D474-C478 PolarHBondContact O-N 2.94Å |
| 475 | F | 91 | Very high | 88.1 | Confident | 4.5 Ų | 4.5 | 48.5 Ų | 48.5 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 174.1 | 170.8 | -91 | 0 | 0 | 0 | 111.2 | F364 L471 P472 P473 T477 C478 M479 F545 V553 L554 | F364-F475 HydrophobicContact CD1-CB 4.49Å; F364-F475 HydrophobicContact CD1-CD2 4.1Å; F364-F475 HydrophobicContact CD2-CB 4.41Å; F364-F475 AromaticContact CE1-CD2 3.51Å; F364-F475 HydrophobicContact CE1-CD2 3.51Å; F364-F475 HydrophobicContact CE1-CE2 4.2Å; F364-F475 HydrophobicContact CE2-CB 4.48Å; F364-F475 HydrophobicContact CE2-CD2 4.25Å; F364-F475 HydrophobicContact CG-CB 4.43Å; F364-F475 AromaticContact CZ-CD2 3.6Å; F364-F475 HydrophobicContact CZ-CD2 3.6Å; F364-F475 HydrophobicContact CZ-CE2 4.34Å; L471-F475 HydrophobicContact CB-CB 4.4Å; L471-F475 HydrophobicContact CB-CG 4.46Å; L471-F475 HydrophobicContact CD1-CD1 4.23Å; L471-F475 HydrophobicContact CD1-CE1 4.16Å; L471-F475 HydrophobicContact CD1-CG 4.49Å; L471-F475 HydrophobicContact CD1-CZ 4.46Å; L471-F475 HydrophobicContact CD2-CD2 3.98Å; L471-F475 HydrophobicContact CD2-CE2 4.29Å; L471-F475 HydrophobicContact CD2-CG 4.21Å; P472-F475 HydrophobicContact CG-CB 4.31Å; P472-F475 WeakPolarHBondContact O-CB 3.39Å; P472-F475 PolarHBondContact O-N 3.16Å; P473-F475 VanDerWaalsContact C-N 3.28Å; P473-F475 PolarHBondContact O-N 2.93Å; F475-T477 PolarHBondContact O-N 3.36Å; F475-C478 WeakPolarHBondContact O-CB 3.48Å; F475-C478 PolarHBondContact O-N 2.77Å; F475-M479 HydrophobicContact CD1-CG 4.3Å; F475-M479 HydrophobicContact CD2-CG 4.24Å; F475-M479 HydrophobicContact CE1-CG 3.77Å; F475-M479 HydrophobicContact CE2-CG 3.75Å; F475-M479 HydrophobicContact CE2-SD 4.23Å; F475-M479 HydrophobicContact CG-CG 4.46Å; F475-M479 HydrophobicContact CZ-CG 3.49Å; F475-M479 VanDerWaalsContact CZ-CG 3.46Å; F475-M479 HydrophobicContact CZ-SD 4.34Å; F475-M479 VanDerWaalsContact O-CG 3.3Å; F475-M479 WeakPolarHBondContact O-CG 3.36Å; F475-M479 PolarHBondContact O-N 3.22Å; F475-F545 AromaticContact CE2-CE2 3.85Å; F475-F545 HydrophobicContact CE2-CE2 3.85Å; F475-F545 AromaticContact CE2-CZ 3.93Å; F475-F545 HydrophobicContact CE2-CZ 3.93Å; F475-F545 AromaticContact CZ-CE2 3.73Å; F475-F545 HydrophobicContact CZ-CE2 3.73Å; F475-F545 AromaticContact CZ-CZ 3.92Å; F475-F545 HydrophobicContact CZ-CZ 3.92Å; F475-V553 HydrophobicContact CD1-CG1 4.07Å; F475-V553 HydrophobicContact CE1-CG1 3.28Å; F475-V553 HydrophobicContact CZ-CG1 3.76Å; F475-L554 HydrophobicContact CZ-CD2 4.31Å |
| 476 | Y | 90.7 | Very high | 88.4 | Confident | 105 Ų | 105 | 47 Ų | 47 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | -173.9 | -119.5 | -81.7 | 0 | 0 | 0 | 111.4 | P473 D474 M479 E480 V553 P555 | P473-Y476 PolarHBondContact O-N 3.29Å; P473-Y476 VanDerWaalsContact O-N 3.15Å; D474-Y476 PolarHBondContact O-N 2.7Å; Y476-M479 PolarHBondContact O-N 3.31Å; Y476-E480 WeakPolarHBondContact O-CB 3.3Å; Y476-E480 PolarHBondContact O-N 3.13Å; Y476-V553 HydrophobicContact CE1-CG1 4.33Å; Y476-P555 HydrophobicContact CD2-CG 3.98Å; Y476-P555 HydrophobicContact CE1-CG 4.27Å; Y476-P555 HydrophobicContact CE2-CB 4.06Å; Y476-P555 HydrophobicContact CE2-CG 3.73Å; Y476-P555 HydrophobicContact CG-CG 4.37Å |
| 477 | T | 89.7 | Confident | 88.5 | Confident | 61.5 Ų | 61.5 | 48.5 Ų | 48.5 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 111 | D474 F475 M479 E480 Q481 | D474-T477 WeakPolarHBondContact CA-OG1 3.34Å; D474-T477 PolarHBondContact O-OG1 2.98Å; F475-T477 PolarHBondContact O-N 3.36Å; T477-M479 PolarHBondContact O-N 3.22Å; T477-E480 PolarHBondContact O-N 2.95Å; T477-Q481 WeakPolarHBondContact O-CG 3.33Å; T477-Q481 PolarHBondContact O-N 3.19Å; T477-Q481 VanDerWaalsContact O-N 3.14Å |
| 478 | C | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -50.2 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | F364 F367 N368 D474 F475 E480 Q481 L482 | F364-C478 HydrophobicContact CD1-CB 4.46Å; F367-C478 WeakPolarHBondContact CB-SG 3.47Å; N368-C478 HydrophobicContact CB-CB 4.36Å; D474-C478 WeakPolarHBondContact O-CB 3.37Å; D474-C478 PolarHBondContact O-N 2.94Å; F475-C478 WeakPolarHBondContact O-CB 3.48Å; F475-C478 PolarHBondContact O-N 2.77Å; C478-E480 VanDerWaalsContact C-N 3.32Å; C478-E480 PolarHBondContact O-N 3.1Å; C478-Q481 PolarHBondContact O-N 3.25Å; C478-L482 WeakPolarHBondContact O-CG 3.37Å; C478-L482 PolarHBondContact O-N 3.41Å |
| 479 | M | 93.8 | Very high | 89 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -37.4 | -179.2 | -68.5 | -50.6 | -72.9 | 0 | 0 | 112 | F475 Y476 T477 Q481 L482 G483 L540 I541 L554 P555 V558 | F475-M479 HydrophobicContact CD1-CG 4.3Å; F475-M479 HydrophobicContact CD2-CG 4.24Å; F475-M479 HydrophobicContact CE1-CG 3.77Å; F475-M479 HydrophobicContact CE2-CG 3.75Å; F475-M479 HydrophobicContact CE2-SD 4.23Å; F475-M479 HydrophobicContact CG-CG 4.46Å; F475-M479 HydrophobicContact CZ-CG 3.49Å; F475-M479 VanDerWaalsContact CZ-CG 3.46Å; F475-M479 HydrophobicContact CZ-SD 4.34Å; F475-M479 VanDerWaalsContact O-CG 3.3Å; F475-M479 WeakPolarHBondContact O-CG 3.36Å; F475-M479 PolarHBondContact O-N 3.22Å; Y476-M479 PolarHBondContact O-N 3.31Å; T477-M479 PolarHBondContact O-N 3.22Å; M479-Q481 VanDerWaalsContact C-N 3.33Å; M479-Q481 PolarHBondContact O-N 3.28Å; M479-L482 PolarHBondContact O-N 3.11Å; M479-L482 HydrophobicContact SD-CD1 3.89Å; M479-G483 PolarHBondContact O-N 3.23Å; M479-L540 HydrophobicContact SD-CD2 4.48Å; M479-I541 HydrophobicContact CE-CD1 3.78Å; M479-I541 HydrophobicContact CE-CG1 3.82Å; M479-L554 HydrophobicContact CE-CD2 3.41Å; M479-L554 VanDerWaalsContact CE-CD2 3.5Å; M479-L554 HydrophobicContact CG-CD2 4.35Å; M479-P555 HydrophobicContact CB-CG 3.86Å; M479-V558 HydrophobicContact CB-CG2 4.44Å; M479-V558 HydrophobicContact CE-CG1 4.25Å; M479-V558 WeakPolarHBondContact O-CG2 3.38Å |
| 480 | E | 92.2 | Very high | 89 | Confident | 109.5 Ų | 109.5 | 39.7 Ų | 39.7 | 51% | 0.512 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.4 | -172.5 | 166.8 | -156 | 0 | 0 | 111.9 | Y476 T477 C478 G483 S484 P555 | Y476-E480 WeakPolarHBondContact O-CB 3.3Å; Y476-E480 PolarHBondContact O-N 3.13Å; T477-E480 PolarHBondContact O-N 2.95Å; C478-E480 VanDerWaalsContact C-N 3.32Å; C478-E480 PolarHBondContact O-N 3.1Å; E480-G483 PolarHBondContact O-N 3.19Å; E480-S484 PolarHBondContact O-N 3.27Å; E480-S484 VanDerWaalsContact O-N 3.08Å; E480-P555 HydrophobicContact CB-CB 4.42Å; E480-P555 HydrophobicContact CB-CG 4.16Å |
| 481 | Q | 91.6 | Very high | 88.3 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.9 | -39.3 | 174.9 | -67.1 | -114.1 | -3.3 | 0 | 0 | 113 | N368 A371 T477 C478 M479 G483 S484 I485 | N368-Q481 WeakPolarHBondContact OD1-CG 3.43Å; A371-Q481 HydrophobicContact CB-CB 4.07Å; T477-Q481 WeakPolarHBondContact O-CG 3.33Å; T477-Q481 PolarHBondContact O-N 3.19Å; T477-Q481 VanDerWaalsContact O-N 3.14Å; C478-Q481 PolarHBondContact O-N 3.25Å; M479-Q481 VanDerWaalsContact C-N 3.33Å; M479-Q481 PolarHBondContact O-N 3.28Å; Q481-G483 PolarHBondContact O-N 3.14Å; Q481-S484 WeakPolarHBondContact CA-OG 3.27Å; Q481-S484 PolarHBondContact O-N 3.09Å; Q481-S484 PolarHBondContact O-OG 3.26Å; Q481-S484 PolarHBondContact OE1-OG 2.92Å; Q481-I485 VanDerWaalsContact O-CG1 3.31Å; Q481-I485 WeakPolarHBondContact O-CG1 3.4Å; Q481-I485 PolarHBondContact O-N 3.21Å |
| 482 | L | 93.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 173.7 | -70.5 | 173.4 | 0 | 0 | 0 | 111.4 | A371 F416 C478 M479 I485 L486 I537 | A371-L482 HydrophobicContact CB-CD2 4.44Å; F416-L482 HydrophobicContact CE1-CD2 4.04Å; F416-L482 HydrophobicContact CZ-CD1 4.05Å; F416-L482 HydrophobicContact CZ-CD2 3.75Å; C478-L482 WeakPolarHBondContact O-CG 3.37Å; C478-L482 PolarHBondContact O-N 3.41Å; M479-L482 PolarHBondContact O-N 3.11Å; M479-L482 HydrophobicContact SD-CD1 3.89Å; L482-I485 PolarHBondContact O-N 3.38Å; L482-L486 WeakPolarHBondContact O-CG 3.34Å; L482-L486 PolarHBondContact O-N 3.21Å; L482-L486 VanDerWaalsContact O-N 3.11Å; L482-I537 HydrophobicContact CB-CD1 3.97Å; L482-I537 HydrophobicContact CB-CG1 4.42Å; L482-I537 HydrophobicContact CD1-CG1 4.39Å; L482-I537 HydrophobicContact CD2-CD1 4.22Å; L482-I537 HydrophobicContact CD2-CG1 4.38Å; L482-I537 HydrophobicContact CG-CD1 4.5Å |
| 483 | G | 91.8 | Very high | 86 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M479 E480 Q481 I485 L486 S487 N557 | M479-G483 PolarHBondContact O-N 3.23Å; E480-G483 PolarHBondContact O-N 3.19Å; Q481-G483 PolarHBondContact O-N 3.14Å; G483-I485 VanDerWaalsContact C-N 3.31Å; G483-I485 PolarHBondContact O-N 3.06Å; G483-L486 PolarHBondContact O-N 2.88Å; G483-S487 PolarHBondContact O-N 3.14Å; G483-N557 PolarHBondContact O-ND2 3.12Å |
| 484 | S | 90.5 | Very high | 84.8 | Confident | 33.5 Ų | 33.5 | 36 Ų | 36 | 23% | 0.234 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | E480 Q481 S487 L488 N557 | E480-S484 PolarHBondContact O-N 3.27Å; E480-S484 VanDerWaalsContact O-N 3.08Å; Q481-S484 WeakPolarHBondContact CA-OG 3.27Å; Q481-S484 PolarHBondContact O-N 3.09Å; Q481-S484 PolarHBondContact O-OG 3.26Å; Q481-S484 PolarHBondContact OE1-OG 2.92Å; S484-S487 PolarHBondContact O-N 3.4Å; S484-S487 PolarHBondContact O-OG 3.11Å; S484-L488 WeakPolarHBondContact O-CB 3.18Å; S484-L488 VanDerWaalsContact O-CG 3.27Å; S484-L488 WeakPolarHBondContact O-CG 3.38Å; S484-L488 PolarHBondContact O-N 3Å; S484-N557 PolarHBondContact N-ND2 3.23Å; S484-N557 VanDerWaalsContact N-ND2 3.16Å |
| 485 | I | 91.5 | Very high | 83.1 | Confident | 1.5 Ų | 1.5 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.7 | -40 | 177.9 | -67.7 | 169 | 0 | 0 | 0 | 111.3 | A371 I375 Q481 L482 G483 S487 L488 Y489 L533 | A371-I485 HydrophobicContact CB-CD1 3.09Å; A371-I485 HydrophobicContact CB-CG1 4.48Å; A371-I485 WeakPolarHBondContact O-CD1 3.45Å; I375-I485 HydrophobicContact CD1-CD1 4.09Å; I375-I485 HydrophobicContact CD1-CG1 3.8Å; I375-I485 HydrophobicContact CG1-CD1 4Å; I375-I485 HydrophobicContact CG1-CG1 3.68Å; Q481-I485 VanDerWaalsContact O-CG1 3.31Å; Q481-I485 WeakPolarHBondContact O-CG1 3.4Å; Q481-I485 PolarHBondContact O-N 3.21Å; L482-I485 PolarHBondContact O-N 3.38Å; G483-I485 VanDerWaalsContact C-N 3.31Å; G483-I485 PolarHBondContact O-N 3.06Å; I485-S487 PolarHBondContact O-N 2.87Å; I485-L488 PolarHBondContact O-N 3.28Å; I485-Y489 HydrophobicContact CG2-CD2 3.62Å; I485-Y489 HydrophobicContact CG2-CE2 3.91Å; I485-Y489 WeakPolarHBondContact O-CD2 3.32Å; I485-Y489 PolarHBondContact O-N 3.42Å; I485-L533 HydrophobicContact CG2-CD1 3.52Å |
| 486 | L | 90.6 | Very high | 80.6 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -42.2 | 172.2 | -79.8 | 176.9 | 0 | 0 | 0 | 111.3 | L482 G483 S490 Y530 L533 I534 I537 Q561 | L482-L486 WeakPolarHBondContact O-CG 3.34Å; L482-L486 PolarHBondContact O-N 3.21Å; L482-L486 VanDerWaalsContact O-N 3.11Å; G483-L486 PolarHBondContact O-N 2.88Å; L486-S490 WeakPolarHBondContact O-CB 3.4Å; L486-S490 PolarHBondContact O-N 3.1Å; L486-Y530 HydrophobicContact CD2-CD2 4.13Å; L486-Y530 HydrophobicContact CD2-CE2 4.11Å; L486-Y530 WeakPolarHBondContact O-CD2 3.34Å; L486-Y530 WeakPolarHBondContact O-CE2 3.31Å; L486-L533 HydrophobicContact CD2-CB 3.73Å; L486-I534 HydrophobicContact CD2-CG1 3.69Å; L486-I537 HydrophobicContact CD1-CD1 3.6Å; L486-I537 HydrophobicContact CD2-CD1 3.97Å; L486-I537 HydrophobicContact CG-CD1 3.63Å; L486-Q561 HydrophobicContact CB-CB 3.99Å; L486-Q561 HydrophobicContact CB-CG 4Å; L486-Q561 HydrophobicContact CD1-CB 4.04Å |
| 487 | S | 87.9 | Confident | 78.3 | Confident | 34.5 Ų | 34.5 | 41.9 Ų | 41.9 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.7 | -40.8 | 177.8 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | G483 S484 I485 S490 | G483-S487 PolarHBondContact O-N 3.14Å; S484-S487 PolarHBondContact O-N 3.4Å; S484-S487 PolarHBondContact O-OG 3.11Å; I485-S487 PolarHBondContact O-N 2.87Å; S487-S490 WeakPolarHBondContact O-CB 3.31Å; S487-S490 PolarHBondContact O-N 3.33Å; S487-S490 PolarHBondContact O-OG 3.39Å |
| 488 | L | 86.6 | Confident | 75.7 | Confident | 94.5 Ų | 94.5 | 44.9 Ų | 44.9 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.5 | -76.3 | 168.1 | 0 | 0 | 0 | 113.4 | I375 L378 S484 I485 S490 | I375-L488 HydrophobicContact CD1-CD1 4.44Å; I375-L488 HydrophobicContact CG1-CD1 4.14Å; L378-L488 HydrophobicContact CD2-CB 3.99Å; S484-L488 WeakPolarHBondContact O-CB 3.18Å; S484-L488 VanDerWaalsContact O-CG 3.27Å; S484-L488 WeakPolarHBondContact O-CG 3.38Å; S484-L488 PolarHBondContact O-N 3Å; I485-L488 PolarHBondContact O-N 3.28Å; L488-S490 VanDerWaalsContact C-N 3.29Å |
| 489 | Y | 87.7 | Confident | 73.2 | Confident | 3.5 Ų | 3.5 | 49.5 Ų | 49.5 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.4 | -11.4 | 177.4 | -82.6 | -87.8 | 0 | 0 | 0 | 112.9 | L374 L378 I485 T491 E526 T529 L533 | L374-Y489 HydrophobicContact CB-CE2 4.23Å; L374-Y489 PolarHBondContact O-OH 2.95Å; L378-Y489 HydrophobicContact CB-CE2 4.28Å; L378-Y489 HydrophobicContact CD1-CE1 4.04Å; L378-Y489 HydrophobicContact CD2-CD2 4.2Å; L378-Y489 HydrophobicContact CD2-CE2 3.96Å; I485-Y489 HydrophobicContact CG2-CD2 3.62Å; I485-Y489 HydrophobicContact CG2-CE2 3.91Å; I485-Y489 WeakPolarHBondContact O-CD2 3.32Å; I485-Y489 PolarHBondContact O-N 3.42Å; Y489-T491 PolarHBondContact O-N 3.02Å; Y489-E526 HydrophobicContact CD1-CB 4.42Å; Y489-T529 HydrophobicContact CD1-CG2 3.72Å; Y489-T529 HydrophobicContact CE1-CG2 3.5Å; Y489-T529 VanDerWaalsContact CE1-CG2 3.49Å; Y489-T529 HydrophobicContact CE2-CG2 4.4Å; Y489-T529 HydrophobicContact CG-CG2 4.25Å; Y489-L533 HydrophobicContact CD2-CD1 4.16Å; Y489-L533 HydrophobicContact CG-CD1 4.38Å |
| 490 | S | 82.6 | Confident | 71 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | trans | -61.4 | 116.8 | 177.8 | 78.1 | 0 | 0 | 0 | 0 | 109.9 | L486 S487 L488 N492 | L486-S490 WeakPolarHBondContact O-CB 3.4Å; L486-S490 PolarHBondContact O-N 3.1Å; S487-S490 WeakPolarHBondContact O-CB 3.31Å; S487-S490 PolarHBondContact O-N 3.33Å; S487-S490 PolarHBondContact O-OG 3.39Å; L488-S490 VanDerWaalsContact C-N 3.29Å; S490-N492 PolarHBondContact O-N 3.19Å | ||
| 491 | T | 69.2 | Low | 68.5 | Low | 2.5 Ų | 2.5 | 53.3 Ų | 53.3 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -73.8 | 13.6 | 176.3 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | Y489 Q493 E526 R527 L1269 | Y489-T491 PolarHBondContact O-N 3.02Å; T491-Q493 VanDerWaalsContact C-N 3.35Å; T491-Q493 PolarHBondContact O-N 2.89Å; T491-E526 HydrophobicContact CG2-CB 3.79Å; T491-R527 HydrophobicContact CG2-CB 4.13Å; T491-R527 PolarHBondContact OG1-NH1 2.94Å; T491-L1269 HydrophobicContact CG2-CD2 3.93Å |
| 492 | N | 64.2 | Low | 66.3 | Low | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -79.5 | -21.2 | -172 | -64.8 | -30.9 | 0 | 0 | 0 | 113.1 | S490 D568 V1197 S1200 L1201 R1204 | S490-N492 PolarHBondContact O-N 3.19Å; N492-D568 PolarHBondContact ND2-OD2 2.88Å; N492-D568 PolarHBondContact OD1-OD2 3.11Å; N492-V1197 HydrophobicContact CB-CG1 3.9Å; N492-S1200 PolarHBondContact O-OG 3.24Å; N492-S1200 VanDerWaalsContact O-OG 3.07Å; N492-L1201 VanDerWaalsContact OD1-CD2 3.25Å; N492-L1201 WeakPolarHBondContact OD1-CD2 3.49Å; N492-R1204 PolarHBondContact OD1-NH1 3.35Å; N492-R1204 PolarHBondContact OD1-NH2 3.31Å |
| 493 | Q | 60.4 | Low | 64.2 | Low | 105 Ų | 105 | 61.8 Ų | 61.8 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -94.6 | -5.9 | -179.9 | -63.6 | -176.6 | -7.7 | 0 | 0 | 114.1 | T491 H495 V1197 | T491-Q493 VanDerWaalsContact C-N 3.35Å; T491-Q493 PolarHBondContact O-N 2.89Å; Q493-H495 PolarHBondContact O-N 2.75Å; Q493-V1197 HydrophobicContact CG-CG2 3.83Å |
| 494 | V | 57 | Low | 62.2 | Low | 55.5 Ų | 55.5 | 64 Ų | 64 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -67.9 | -5 | -168.2 | -177.7 | 0 | 0 | 0 | 0 | 113.9 | D496 L1265 | V494-D496 VanDerWaalsContact C-N 3.29Å; V494-D496 PolarHBondContact O-N 3.3Å; V494-L1265 HydrophobicContact CB-CD2 4.37Å; V494-L1265 HydrophobicContact CG1-CD2 4.09Å |
| 495 | H | 50 | Low | 60.7 | Low | 65 Ų | 65 | 67.8 Ų | 67.8 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -72 | -11.5 | -179.6 | -69 | -62.2 | 0 | 0 | 0 | 115.5 | Q493 N497 D1266 | Q493-H495 PolarHBondContact O-N 2.75Å; H495-N497 PolarHBondContact O-N 2.63Å; H495-D1266 IonicContact CE1-OD1 3.31Å |
| 496 | D | 39.7 | Very low | 59.8 | Low | 131 Ų | 131 | 71.1 Ų | 71.1 | 70% | 0.701 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -85.2 | -3.1 | -174.7 | -81.3 | -10.2 | 0 | 0 | 0 | 115.3 | V494 T498 | V494-D496 VanDerWaalsContact C-N 3.29Å; V494-D496 PolarHBondContact O-N 3.3Å; D496-T498 PolarHBondContact O-N 3.1Å; D496-T498 VanDerWaalsContact O-N 3.12Å |
| 497 | N | 41.4 | Very low | 59.4 | Low | 109.5 Ų | 109.5 | 73.6 Ų | 73.6 | 59% | 0.586 | 40% | 0.4 | S | S | * | . | trans | -79.6 | 101.2 | 176.3 | -79.4 | -18.7 | 0 | 0 | 0 | 111.4 | H495 A499 I500 | H495-N497 PolarHBondContact O-N 2.63Å; N497-A499 PolarHBondContact O-N 3.29Å; N497-I500 HydrophobicContact CB-CD1 4.1Å; N497-I500 HydrophobicContact CB-CG1 4.36Å; N497-I500 WeakPolarHBondContact O-CB 3.36Å; N497-I500 PolarHBondContact O-N 3.28Å | ||
| 498 | T | 35.2 | Very low | 59.2 | Low | 123.5 Ų | 123.5 | 75.6 Ų | 75.6 | 76% | 0.758 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -49.2 | -24.4 | 178.5 | 44.1 | 0 | 0 | 0 | 0 | 115.5 | D496 I500 M501 | D496-T498 PolarHBondContact O-N 3.1Å; D496-T498 VanDerWaalsContact O-N 3.12Å; T498-I500 VanDerWaalsContact C-N 3.32Å; T498-I500 PolarHBondContact O-N 3.32Å; T498-M501 WeakPolarHBondContact O-CB 3.49Å; T498-M501 PolarHBondContact O-N 2.95Å |
| 499 | A | 40.7 | Very low | 59.2 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 80% | 0.802 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -70.9 | -23.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N497 M501 | N497-A499 PolarHBondContact O-N 3.29Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 PolarHBondContact O-N 2.78Å |
| 500 | I | 46.2 | Very low | 59.1 | Low | 56.5 Ų | 56.5 | 77.6 Ų | 77.6 | 29% | 0.29 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -82.1 | -11.5 | -178.5 | -57.4 | 177.5 | 0 | 0 | 0 | 111 | N497 T498 K502 S503 L504 | N497-I500 HydrophobicContact CB-CD1 4.1Å; N497-I500 HydrophobicContact CB-CG1 4.36Å; N497-I500 WeakPolarHBondContact O-CB 3.36Å; N497-I500 PolarHBondContact O-N 3.28Å; T498-I500 VanDerWaalsContact C-N 3.32Å; T498-I500 PolarHBondContact O-N 3.32Å; I500-K502 PolarHBondContact O-N 3.08Å; I500-S503 WeakPolarHBondContact CG2-OG 3.44Å; I500-S503 PolarHBondContact O-N 2.84Å; I500-S503 PolarHBondContact O-OG 3.14Å; I500-S503 VanDerWaalsContact O-OG 3.13Å; I500-L504 HydrophobicContact CG2-CD2 3.99Å; I500-L504 HydrophobicContact CG2-CG 4.22Å; I500-L504 PolarHBondContact O-N 3.03Å |
| 501 | M | 39.4 | Very low | 59.3 | Low | 134.5 Ų | 134.5 | 79.7 Ų | 79.7 | 66% | 0.663 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -54.6 | -29 | -169.4 | -126.1 | -171 | -157.1 | 0 | 0 | 115.4 | T498 A499 L504 | T498-M501 WeakPolarHBondContact O-CB 3.49Å; T498-M501 PolarHBondContact O-N 2.95Å; A499-M501 VanDerWaalsContact C-N 3.3Å; A499-M501 PolarHBondContact O-N 2.78Å; M501-L504 HydrophobicContact CB-CD1 4.44Å; M501-L504 HydrophobicContact CG-CD1 4.03Å |
| 502 | K | 45.6 | Very low | 60.3 | Low | 204.5 Ų | 204.5 | 79.6 Ų | 79.6 | 89% | 0.889 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -74.9 | -29.2 | 176.8 | -74.4 | -174.6 | 177.7 | 179.9 | 0 | 114.1 | I500 L504 | I500-K502 PolarHBondContact O-N 3.08Å; K502-L504 VanDerWaalsContact C-N 3.34Å |
| 503 | S | 48.9 | Very low | 61.5 | Low | 31 Ų | 31 | 81.1 Ų | 81.1 | 22% | 0.217 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.9 | 177.1 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | I500 | I500-S503 WeakPolarHBondContact CG2-OG 3.44Å; I500-S503 PolarHBondContact O-N 2.84Å; I500-S503 PolarHBondContact O-OG 3.14Å; I500-S503 VanDerWaalsContact O-OG 3.13Å |
| 504 | L | 50.1 | Low | 62.9 | Low | 47 Ų | 47 | 80.1 Ų | 80.1 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.7 | -177.8 | -69.8 | 177.1 | 0 | 0 | 0 | 114.3 | I500 M501 K502 | I500-L504 HydrophobicContact CG2-CD2 3.99Å; I500-L504 HydrophobicContact CG2-CG 4.22Å; I500-L504 PolarHBondContact O-N 3.03Å; M501-L504 HydrophobicContact CB-CD1 4.44Å; M501-L504 HydrophobicContact CG-CD1 4.03Å; K502-L504 VanDerWaalsContact C-N 3.34Å |
| 505 | I | 58.8 | Low | 64.4 | Low | 113.5 Ų | 113.5 | 80.1 Ų | 80.1 | 58% | 0.582 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -78.4 | -38.6 | -171.4 | -56.7 | 175.2 | 0 | 0 | 0 | 111.3 | S1261 | I505-S1261 WeakPolarHBondContact O-CB 3.37Å; I505-S1261 PolarHBondContact O-OG 3.25Å |
| 506 | S | 73.1 | Confident | 66.4 | Low | 71.5 Ų | 71.5 | 77 Ų | 77 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | trans | -168.4 | 141.4 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | L1262 | S506-L1262 CarbonylContact C-O 3.44Å; S506-L1262 WeakPolarHBondContact CA-O 3.17Å | ||
| 507 | W | 83.4 | Confident | 68.7 | Low | 52 Ų | 52 | 73.4 Ų | 73.4 | 20% | 0.197 | 40% | 0.397 | C | S | . | . | trans | -69.5 | 151 | 172.4 | 79.6 | -70.8 | 0 | 0 | 0 | 112 | T509 M512 T1225 M1228 I1229 L1262 C1264 V1267 | W507-T509 HydrophobicContact CH2-CG2 3.88Å; W507-T509 HydrophobicContact CZ3-CG2 3.97Å; W507-M512 HydrophobicContact CE3-CB 4.02Å; W507-M512 HydrophobicContact CE3-SD 3.74Å; W507-M512 HydrophobicContact CH2-SD 4.48Å; W507-M512 HydrophobicContact CZ3-CB 3.99Å; W507-M512 HydrophobicContact CZ3-CG 4.36Å; W507-M512 HydrophobicContact CZ3-SD 3.55Å; W507-M512 VanDerWaalsContact CZ3-SD 3.55Å; W507-T1225 HydrophobicContact CH2-CG2 3.76Å; W507-T1225 HydrophobicContact CZ2-CG2 4.02Å; W507-M1228 HydrophobicContact CH2-CB 4.45Å; W507-I1229 HydrophobicContact CH2-CG2 4.01Å; W507-I1229 HydrophobicContact CZ3-CG2 3.73Å; W507-L1262 PolarHBondContact N-O 3.35Å; W507-C1264 HydrophobicContact CB-CB 4.05Å; W507-V1267 HydrophobicContact CB-CG2 4.23Å; W507-V1267 HydrophobicContact CD2-CG2 3.97Å; W507-V1267 HydrophobicContact CG-CG2 3.72Å | ||
| 508 | N | 82.6 | Confident | 70.9 | Confident | 77 Ų | 77 | 73.2 Ų | 73.2 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | trans | -117.3 | 135.5 | 173.4 | 177.3 | 5.7 | 0 | 0 | 0 | 109 | N510 E511 M512 | N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.99Å; N508-N510 PolarHBondContact OD1-N 3.11Å; N508-N510 VanDerWaalsContact OD1-N 3.09Å; N508-E511 HydrophobicContact CB-CB 4.02Å; N508-E511 WeakPolarHBondContact O-CB 3.44Å; N508-E511 PolarHBondContact O-N 3.05Å; N508-E511 VanDerWaalsContact O-N 3.14Å; N508-M512 PolarHBondContact O-N 2.93Å | ||
| 509 | T | 86.1 | Confident | 73.3 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 23% | 0.233 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 176.7 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | W507 E511 M512 I513 M1228 | W507-T509 HydrophobicContact CH2-CG2 3.88Å; W507-T509 HydrophobicContact CZ3-CG2 3.97Å; T509-E511 VanDerWaalsContact C-N 3.34Å; T509-E511 PolarHBondContact O-N 3.34Å; T509-M512 PolarHBondContact O-N 3.13Å; T509-I513 WeakPolarHBondContact O-CB 3.42Å; T509-I513 VanDerWaalsContact O-CG1 3.23Å; T509-I513 WeakPolarHBondContact O-CG1 3.13Å; T509-I513 PolarHBondContact O-N 3.28Å; T509-M1228 HydrophobicContact CG2-CB 3.98Å; T509-M1228 HydrophobicContact CG2-CE 3.96Å |
| 510 | N | 87.3 | Confident | 75.4 | Confident | 101.5 Ų | 101.5 | 68.2 Ų | 68.2 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 178.3 | -66.5 | -16.9 | 0 | 0 | 0 | 112 | N508 I513 D514 | N508-N510 VanDerWaalsContact C-N 3.27Å; N508-N510 PolarHBondContact O-N 2.99Å; N508-N510 PolarHBondContact OD1-N 3.11Å; N508-N510 VanDerWaalsContact OD1-N 3.09Å; N510-I513 PolarHBondContact O-N 3.06Å; N510-D514 WeakPolarHBondContact O-CB 3.31Å; N510-D514 PolarHBondContact O-N 3.22Å |
| 511 | E | 86.5 | Confident | 77.5 | Confident | 55.5 Ų | 55.5 | 65.8 Ų | 65.8 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.9 | -174.8 | -175.4 | -174.8 | 0 | 0 | 110.6 | N508 T509 D514 F515 | N508-E511 HydrophobicContact CB-CB 4.02Å; N508-E511 WeakPolarHBondContact O-CB 3.44Å; N508-E511 PolarHBondContact O-N 3.05Å; N508-E511 VanDerWaalsContact O-N 3.14Å; T509-E511 VanDerWaalsContact C-N 3.34Å; T509-E511 PolarHBondContact O-N 3.34Å; E511-D514 WeakPolarHBondContact O-CB 2.98Å; E511-D514 PolarHBondContact O-N 3.2Å; E511-F515 HydrophobicContact CG-CD2 4.1Å; E511-F515 HydrophobicContact CG-CE2 3.53Å; E511-F515 HydrophobicContact CG-CZ 4.2Å; E511-F515 WeakPolarHBondContact O-CD2 3.28Å; E511-F515 PolarHBondContact O-N 2.77Å |
| 512 | M | 89.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 177.5 | -166.2 | 157.9 | -159.4 | 0 | 0 | 112.4 | W507 N508 T509 D514 F515 I516 L521 I1229 V1267 L1271 | W507-M512 HydrophobicContact CE3-CB 4.02Å; W507-M512 HydrophobicContact CE3-SD 3.74Å; W507-M512 HydrophobicContact CH2-SD 4.48Å; W507-M512 HydrophobicContact CZ3-CB 3.99Å; W507-M512 HydrophobicContact CZ3-CG 4.36Å; W507-M512 HydrophobicContact CZ3-SD 3.55Å; W507-M512 VanDerWaalsContact CZ3-SD 3.55Å; N508-M512 PolarHBondContact O-N 2.93Å; T509-M512 PolarHBondContact O-N 3.13Å; M512-D514 VanDerWaalsContact C-N 3.32Å; M512-D514 PolarHBondContact O-N 2.92Å; M512-F515 PolarHBondContact O-N 3.22Å; M512-I516 HydrophobicContact CG-CD1 4.18Å; M512-I516 WeakPolarHBondContact O-CD1 3.12Å; M512-I516 VanDerWaalsContact O-CG1 3.25Å; M512-I516 WeakPolarHBondContact O-CG1 3.47Å; M512-I516 PolarHBondContact O-N 3.34Å; M512-L521 HydrophobicContact CE-CD2 4.15Å; M512-I1229 HydrophobicContact CB-CG2 4.25Å; M512-I1229 HydrophobicContact CG-CG2 4.2Å; M512-I1229 HydrophobicContact SD-CG2 4.22Å; M512-V1267 HydrophobicContact CE-CG1 3.99Å; M512-V1267 HydrophobicContact SD-CG1 3.94Å; M512-L1271 HydrophobicContact CE-CD1 3.66Å |
| 513 | I | 90.4 | Very high | 81.4 | Confident | 33.5 Ų | 33.5 | 52.3 Ų | 52.3 | 17% | 0.172 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.1 | -70.3 | 164.9 | 0 | 0 | 0 | 110.5 | T509 N510 F515 I516 N517 I1229 | T509-I513 WeakPolarHBondContact O-CB 3.42Å; T509-I513 VanDerWaalsContact O-CG1 3.23Å; T509-I513 WeakPolarHBondContact O-CG1 3.13Å; T509-I513 PolarHBondContact O-N 3.28Å; N510-I513 PolarHBondContact O-N 3.06Å; I513-F515 VanDerWaalsContact C-N 3.34Å; I513-F515 PolarHBondContact O-N 3.38Å; I513-I516 PolarHBondContact O-N 3.05Å; I513-N517 WeakPolarHBondContact O-CB 3.36Å; I513-N517 PolarHBondContact O-N 2.96Å; I513-N517 PolarHBondContact O-ND2 3.21Å; I513-I1229 HydrophobicContact CG1-CB 4.24Å |
| 514 | D | 88.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.5 | -79.6 | -14.3 | 0 | 0 | 0 | 112.4 | N510 E511 M512 K518 | N510-D514 WeakPolarHBondContact O-CB 3.31Å; N510-D514 PolarHBondContact O-N 3.22Å; E511-D514 WeakPolarHBondContact O-CB 2.98Å; E511-D514 PolarHBondContact O-N 3.2Å; M512-D514 VanDerWaalsContact C-N 3.32Å; M512-D514 PolarHBondContact O-N 2.92Å; D514-K518 WeakPolarHBondContact O-CG 3.36Å; D514-K518 PolarHBondContact O-N 2.97Å |
| 515 | F | 89.4 | Confident | 85.1 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 173.7 | -71.3 | -50.5 | 0 | 0 | 0 | 112.5 | E511 M512 I513 K518 A519 N520 L521 | E511-F515 HydrophobicContact CG-CD2 4.1Å; E511-F515 HydrophobicContact CG-CE2 3.53Å; E511-F515 HydrophobicContact CG-CZ 4.2Å; E511-F515 WeakPolarHBondContact O-CD2 3.28Å; E511-F515 PolarHBondContact O-N 2.77Å; M512-F515 PolarHBondContact O-N 3.22Å; I513-F515 VanDerWaalsContact C-N 3.34Å; I513-F515 PolarHBondContact O-N 3.38Å; F515-K518 CarbonylContact O-C 3.43Å; F515-K518 PolarHBondContact O-N 3.08Å; F515-A519 PolarHBondContact O-N 3.33Å; F515-N520 VanDerWaalsContact CD1-O 3.27Å; F515-N520 WeakPolarHBondContact CD1-O 3.34Å; F515-N520 PolarHBondContact O-N 2.79Å; F515-L521 HydrophobicContact CB-CD2 3.97Å |
| 516 | I | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.1 | -69.4 | 164.6 | 0 | 0 | 0 | 110.6 | M512 I513 K518 A519 L521 I1229 L1281 | M512-I516 HydrophobicContact CG-CD1 4.18Å; M512-I516 WeakPolarHBondContact O-CD1 3.12Å; M512-I516 VanDerWaalsContact O-CG1 3.25Å; M512-I516 WeakPolarHBondContact O-CG1 3.47Å; M512-I516 PolarHBondContact O-N 3.34Å; I513-I516 PolarHBondContact O-N 3.05Å; I516-K518 PolarHBondContact O-N 2.95Å; I516-A519 PolarHBondContact O-N 3.13Å; I516-L521 HydrophobicContact CG1-CD2 4.19Å; I516-I1229 HydrophobicContact CD1-CB 4.29Å; I516-I1229 HydrophobicContact CD1-CD1 3.87Å; I516-I1229 HydrophobicContact CD1-CG1 4.34Å; I516-L1281 HydrophobicContact CD1-CD2 4.12Å |
| 517 | N | 88.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 42.7 Ų | 42.7 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.6 | -30.4 | 178.6 | -70.6 | -21 | 0 | 0 | 0 | 112.6 | I513 R1288 Y1294 | I513-N517 WeakPolarHBondContact O-CB 3.36Å; I513-N517 PolarHBondContact O-N 2.96Å; I513-N517 PolarHBondContact O-ND2 3.21Å; N517-R1288 WeakPolarHBondContact OD1-CD 3.34Å; N517-Y1294 WeakPolarHBondContact O-CD2 3.37Å |
| 518 | K | 86.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 40.2 Ų | 40.2 | 46% | 0.457 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -0.1 | 177.9 | -66.5 | 171.4 | -174.9 | 165 | 0 | 113.4 | D514 F515 I516 N520 Y1294 | D514-K518 WeakPolarHBondContact O-CG 3.36Å; D514-K518 PolarHBondContact O-N 2.97Å; F515-K518 CarbonylContact O-C 3.43Å; F515-K518 PolarHBondContact O-N 3.08Å; I516-K518 PolarHBondContact O-N 2.95Å; K518-N520 HydrophobicContact CB-CB 4.38Å; K518-N520 PolarHBondContact O-N 3.13Å; K518-Y1294 HydrophobicContact CB-CE1 4.39Å; K518-Y1294 HydrophobicContact CG-CE2 4.32Å; K518-Y1294 WeakPolarHBondContact O-CD1 3.32Å |
| 519 | A | 86.6 | Confident | 88.2 | Confident | 8.5 Ų | 8.5 | 36.5 Ų | 36.5 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | F515 I516 C1285 E1297 S1298 | F515-A519 PolarHBondContact O-N 3.33Å; I516-A519 PolarHBondContact O-N 3.13Å; A519-C1285 HydrophobicContact CB-CB 4.46Å; A519-E1297 HydrophobicContact CB-CB 3.83Å; A519-S1298 WeakPolarHBondContact CB-OG 3.49Å |
| 520 | N | 85.8 | Confident | 88.4 | Confident | 106.5 Ų | 106.5 | 34.7 Ų | 34.7 | 57% | 0.57 | 18% | 0.182 | S | C | * | . | trans | -134.8 | 63 | -174 | -172.3 | 37.1 | 0 | 0 | 0 | 110.6 | F515 K518 | F515-N520 VanDerWaalsContact CD1-O 3.27Å; F515-N520 WeakPolarHBondContact CD1-O 3.34Å; F515-N520 PolarHBondContact O-N 2.79Å; K518-N520 HydrophobicContact CB-CB 4.38Å; K518-N520 PolarHBondContact O-N 3.13Å | ||
| 521 | L | 88.3 | Confident | 88.5 | Confident | 5.5 Ų | 5.5 | 30 Ų | 30 | 3% | 0.029 | 16% | 0.157 | C | C | . | . | trans | -72 | 137.5 | 177.8 | -77.4 | 168.9 | 0 | 0 | 0 | 110.5 | M512 F515 I516 G523 E524 T1268 F1301 | M512-L521 HydrophobicContact CE-CD2 4.15Å; F515-L521 HydrophobicContact CB-CD2 3.97Å; I516-L521 HydrophobicContact CG1-CD2 4.19Å; L521-G523 PolarHBondContact O-N 3.46Å; L521-E524 HydrophobicContact CB-CB 3.72Å; L521-E524 HydrophobicContact CB-CG 4.3Å; L521-E524 WeakPolarHBondContact O-CB 3.28Å; L521-E524 PolarHBondContact O-N 3.14Å; L521-T1268 HydrophobicContact CB-CG2 3.78Å; L521-T1268 HydrophobicContact CD2-CG2 4.28Å; L521-T1268 HydrophobicContact CG-CG2 4.46Å; L521-F1301 HydrophobicContact CD1-CE1 3.75Å; L521-F1301 HydrophobicContact CD1-CZ 3.92Å | ||
| 522 | P | 84.1 | Confident | 88.6 | Confident | 36.5 Ų | 36.5 | 27.3 Ų | 27.3 | 24% | 0.237 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 118.4 | -173.6 | 26.1 | -34.7 | 0 | 0 | 0 | 111.8 | E524 L1265 T1268 | P522-E524 PolarHBondContact O-N 2.96Å; P522-L1265 HydrophobicContact CB-CD1 4.14Å; P522-T1268 HydrophobicContact CG-CG2 4.14Å; P522-T1268 WeakPolarHBondContact CG-OG1 3.2Å; P522-T1268 WeakPolarHBondContact O-CG2 3.38Å |
| 523 | G | 84.5 | Confident | 88.8 | Confident | 20.5 Ų | 20.5 | 27.4 Ų | 27.4 | 21% | 0.211 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 12 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L521 C525 E526 R527 | L521-G523 PolarHBondContact O-N 3.46Å; G523-C525 PolarHBondContact O-N 3.49Å; G523-E526 WeakPolarHBondContact CA-OE2 3.34Å; G523-E526 PolarHBondContact O-N 2.98Å; G523-R527 WeakPolarHBondContact O-CB 3.38Å; G523-R527 PolarHBondContact O-N 3.05Å |
| 524 | E | 88.8 | Confident | 88.8 | Confident | 9.5 Ų | 9.5 | 25.9 Ų | 25.9 | 4% | 0.044 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.3 | -53.1 | -175.1 | 169.2 | -118.9 | 121.2 | 0 | 0 | 112.2 | L521 P522 R527 Q528 V1272 F1301 R1304 | L521-E524 HydrophobicContact CB-CB 3.72Å; L521-E524 HydrophobicContact CB-CG 4.3Å; L521-E524 WeakPolarHBondContact O-CB 3.28Å; L521-E524 PolarHBondContact O-N 3.14Å; P522-E524 PolarHBondContact O-N 2.96Å; E524-R527 WeakPolarHBondContact O-CB 3.43Å; E524-R527 PolarHBondContact O-N 2.94Å; E524-Q528 WeakPolarHBondContact O-CG 3.28Å; E524-Q528 PolarHBondContact O-N 3.29Å; E524-Q528 PolarHBondContact OE1-OE1 3.28Å; E524-V1272 HydrophobicContact CB-CG2 4.22Å; E524-V1272 HydrophobicContact CG-CG1 4.32Å; E524-V1272 HydrophobicContact CG-CG2 4.03Å; E524-F1301 HydrophobicContact CG-CD2 3.48Å; E524-F1301 VanDerWaalsContact CG-CD2 3.48Å; E524-F1301 HydrophobicContact CG-CE2 3.36Å; E524-F1301 HydrophobicContact CG-CG 4.18Å; E524-F1301 HydrophobicContact CG-CZ 3.97Å; E524-F1301 WeakPolarHBondContact OE1-CD2 3.38Å; E524-R1304 IonicContact OE1-CZ 3.8Å; E524-R1304 IonicContact OE1-NE 2.92Å; E524-R1304 PolarHBondContact OE1-NE 2.85Å; E524-R1304 VanDerWaalsContact OE1-NE 3.11Å; E524-R1304 IonicContact OE1-NH2 2.8Å; E524-R1304 PolarHBondContact OE1-NH2 3.42Å; E524-R1304 IonicContact OE2-NH2 3.92Å; E524-R1304 PolarHBondContact OE2-NH2 3.39Å |
| 525 | C | 87.6 | Confident | 88.6 | Confident | 2.5 Ų | 2.5 | 22 Ų | 22 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -42.6 | -175.8 | 178.7 | 0 | 0 | 0 | 0 | 112 | R381 E409 G523 R527 Q528 T529 R1304 | R381-C525 PolarHBondContact NH1-SG 3.24Å; E409-C525 PolarHBondContact OE1-SG 3.45Å; E409-C525 VanDerWaalsContact OE1-SG 3.37Å; G523-C525 PolarHBondContact O-N 3.49Å; C525-R527 PolarHBondContact O-N 3.09Å; C525-Q528 PolarHBondContact O-N 3.3Å; C525-T529 WeakPolarHBondContact O-CB 3.19Å; C525-T529 PolarHBondContact O-N 3.27Å; C525-T529 PolarHBondContact O-OG1 3.18Å; C525-R1304 WeakPolarHBondContact SG-CD 3.38Å; C525-R1304 PolarHBondContact SG-NE 3.12Å; C525-R1304 VanDerWaalsContact SG-NE 3.45Å |
| 526 | E | 89.5 | Confident | 88.6 | Confident | 44.5 Ų | 44.5 | 19.7 Ų | 19.7 | 21% | 0.208 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 177.3 | -65.4 | 75 | -167.1 | 0 | 0 | 109.8 | L378 R381 Y489 T491 G523 T529 Y530 | L378-E526 HydrophobicContact CD1-CG 4.48Å; R381-E526 IonicContact NE-OE1 2.76Å; Y489-E526 HydrophobicContact CD1-CB 4.42Å; T491-E526 HydrophobicContact CG2-CB 3.79Å; G523-E526 WeakPolarHBondContact CA-OE2 3.34Å; G523-E526 PolarHBondContact O-N 2.98Å; E526-T529 PolarHBondContact O-N 2.98Å; E526-Y530 WeakPolarHBondContact O-CB 3.28Å; E526-Y530 PolarHBondContact O-N 3.13Å |
| 527 | R | 90.7 | Very high | 88.7 | Confident | 3.5 Ų | 3.5 | 19.7 Ų | 19.7 | 1% | 0.013 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 178.1 | -172.6 | 56.4 | 168 | -171.5 | 7.2 | 113 | T491 G523 E524 C525 T529 Y530 F531 D568 L1269 V1272 S1273 | T491-R527 HydrophobicContact CG2-CB 4.13Å; T491-R527 PolarHBondContact OG1-NH1 2.94Å; G523-R527 WeakPolarHBondContact O-CB 3.38Å; G523-R527 PolarHBondContact O-N 3.05Å; E524-R527 WeakPolarHBondContact O-CB 3.43Å; E524-R527 PolarHBondContact O-N 2.94Å; C525-R527 PolarHBondContact O-N 3.09Å; R527-T529 VanDerWaalsContact C-N 3.32Å; R527-Y530 PolarHBondContact O-N 2.93Å; R527-F531 HydrophobicContact CG-CD2 4.36Å; R527-F531 VanDerWaalsContact NE-CE2 3.33Å; R527-F531 WeakPolarHBondContact O-CB 3.16Å; R527-F531 VanDerWaalsContact O-CD2 3.29Å; R527-F531 WeakPolarHBondContact O-CD2 3.4Å; R527-F531 PolarHBondContact O-N 3.41Å; R527-D568 IonicContact CZ-OD1 3.43Å; R527-D568 VanDerWaalsContact CZ-OD1 3.29Å; R527-D568 IonicContact CZ-OD2 3.39Å; R527-D568 VanDerWaalsContact NH1-CG 3.27Å; R527-D568 IonicContact NH1-OD1 2.92Å; R527-D568 PolarHBondContact NH1-OD1 2.91Å; R527-D568 VanDerWaalsContact NH1-OD1 3.08Å; R527-D568 IonicContact NH1-OD2 2.66Å; R527-D568 PolarHBondContact NH1-OD2 3.35Å; R527-D568 IonicContact NH2-OD1 2.71Å; R527-D568 PolarHBondContact NH2-OD1 3.36Å; R527-D568 IonicContact NH2-OD2 3.17Å; R527-L1269 HydrophobicContact CB-CD2 3.85Å; R527-L1269 HydrophobicContact CG-CD2 3.83Å; R527-V1272 HydrophobicContact CB-CG1 4.21Å; R527-V1272 HydrophobicContact CG-CG1 4.19Å; R527-S1273 PolarHBondContact NE-OG 3.14Å; R527-S1273 PolarHBondContact NH2-OG 2.74Å; R527-S1273 VanDerWaalsContact NH2-OG 3.15Å |
| 528 | Q | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 177.7 | -69 | -178.9 | -40.4 | 0 | 0 | 111.7 | E524 C525 Y530 F531 G532 V1272 S1278 R1304 A1308 | E524-Q528 WeakPolarHBondContact O-CG 3.28Å; E524-Q528 PolarHBondContact O-N 3.29Å; E524-Q528 PolarHBondContact OE1-OE1 3.28Å; C525-Q528 PolarHBondContact O-N 3.3Å; Q528-Y530 VanDerWaalsContact C-N 3.33Å; Q528-Y530 PolarHBondContact O-N 3.37Å; Q528-F531 PolarHBondContact O-N 2.69Å; Q528-G532 PolarHBondContact O-N 3.11Å; Q528-V1272 HydrophobicContact CB-CG1 4.48Å; Q528-V1272 HydrophobicContact CG-CG1 3.21Å; Q528-S1278 PolarHBondContact NE2-OG 3.28Å; Q528-R1304 HydrophobicContact CB-CB 4.1Å; Q528-A1308 HydrophobicContact CB-CB 4.21Å; Q528-A1308 WeakPolarHBondContact O-CB 3.15Å |
| 529 | T | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | L374 L413 Y489 C525 E526 R527 F531 G532 L533 | L374-T529 HydrophobicContact CD2-CG2 4.32Å; L413-T529 HydrophobicContact CD2-CG2 4.49Å; Y489-T529 HydrophobicContact CD1-CG2 3.72Å; Y489-T529 HydrophobicContact CE1-CG2 3.5Å; Y489-T529 VanDerWaalsContact CE1-CG2 3.49Å; Y489-T529 HydrophobicContact CE2-CG2 4.4Å; Y489-T529 HydrophobicContact CG-CG2 4.25Å; C525-T529 WeakPolarHBondContact O-CB 3.19Å; C525-T529 PolarHBondContact O-N 3.27Å; C525-T529 PolarHBondContact O-OG1 3.18Å; E526-T529 PolarHBondContact O-N 2.98Å; R527-T529 VanDerWaalsContact C-N 3.32Å; T529-F531 PolarHBondContact O-N 3.17Å; T529-G532 PolarHBondContact O-N 3.29Å; T529-L533 HydrophobicContact CG2-CD1 4.08Å; T529-L533 HydrophobicContact CG2-CG 4.42Å; T529-L533 WeakPolarHBondContact O-CB 3.18Å; T529-L533 WeakPolarHBondContact O-CG 3.29Å; T529-L533 PolarHBondContact O-N 3.21Å |
| 530 | Y | 91.8 | Very high | 89 | Confident | 0.5 Ų | 0.5 | 13.3 Ų | 13.3 | 0% | 0.002 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.5 | -48.3 | 172.6 | 177.5 | -114.3 | 0 | 0 | 0 | 112.2 | L486 E526 R527 Q528 L533 I534 D568 | L486-Y530 HydrophobicContact CD2-CD2 4.13Å; L486-Y530 HydrophobicContact CD2-CE2 4.11Å; L486-Y530 WeakPolarHBondContact O-CD2 3.34Å; L486-Y530 WeakPolarHBondContact O-CE2 3.31Å; E526-Y530 WeakPolarHBondContact O-CB 3.28Å; E526-Y530 PolarHBondContact O-N 3.13Å; R527-Y530 PolarHBondContact O-N 2.93Å; Q528-Y530 VanDerWaalsContact C-N 3.33Å; Q528-Y530 PolarHBondContact O-N 3.37Å; Y530-L533 PolarHBondContact O-N 3.18Å; Y530-I534 HydrophobicContact CD1-CD1 3.65Å; Y530-I534 HydrophobicContact CD2-CD1 4.11Å; Y530-I534 HydrophobicContact CD2-CG1 4.34Å; Y530-I534 HydrophobicContact CE1-CD1 3.18Å; Y530-I534 HydrophobicContact CE1-CG1 4.34Å; Y530-I534 HydrophobicContact CE2-CD1 3.69Å; Y530-I534 HydrophobicContact CE2-CG1 4.01Å; Y530-I534 HydrophobicContact CG-CD1 4.09Å; Y530-I534 WeakPolarHBondContact O-CG1 3.18Å; Y530-I534 PolarHBondContact O-N 3Å; Y530-I534 WeakPolarHBondContact OH-CD1 3.25Å; Y530-D568 VanDerWaalsContact CE1-OD2 3.27Å; Y530-D568 WeakPolarHBondContact CE1-OD2 3.42Å |
| 531 | F | 88.5 | Confident | 89.3 | Confident | 1.5 Ų | 1.5 | 8.3 Ų | 8.3 | 1% | 0.007 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 179 | -127.3 | -102.7 | 0 | 0 | 0 | 112.2 | F451 V452 F456 R527 Q528 T529 L533 I534 T535 V569 L572 S1273 A1308 | F451-F531 AromaticContact CE1-CD1 3.96Å; F451-F531 HydrophobicContact CE1-CD1 3.96Å; F451-F531 HydrophobicContact CE1-CE1 4.08Å; F451-F531 HydrophobicContact CE2-CD1 4.49Å; F451-F531 AromaticContact CZ-CD1 3.53Å; F451-F531 HydrophobicContact CZ-CD1 3.53Å; F451-F531 HydrophobicContact CZ-CE1 4.07Å; V452-F531 HydrophobicContact CG1-CZ 4.38Å; F456-F531 HydrophobicContact CE2-CE2 4.25Å; F456-F531 AromaticContact CE2-CZ 4Å; F456-F531 HydrophobicContact CE2-CZ 4Å; R527-F531 HydrophobicContact CG-CD2 4.36Å; R527-F531 VanDerWaalsContact NE-CE2 3.33Å; R527-F531 WeakPolarHBondContact O-CB 3.16Å; R527-F531 VanDerWaalsContact O-CD2 3.29Å; R527-F531 WeakPolarHBondContact O-CD2 3.4Å; R527-F531 PolarHBondContact O-N 3.41Å; Q528-F531 PolarHBondContact O-N 2.69Å; T529-F531 PolarHBondContact O-N 3.17Å; F531-L533 VanDerWaalsContact C-N 3.33Å; F531-L533 PolarHBondContact O-N 3.15Å; F531-I534 PolarHBondContact O-N 2.77Å; F531-T535 HydrophobicContact CD1-CG2 4Å; F531-T535 HydrophobicContact CE1-CG2 3.8Å; F531-T535 HydrophobicContact CZ-CG2 4.38Å; F531-T535 VanDerWaalsContact O-CG2 3.29Å; F531-T535 WeakPolarHBondContact O-CG2 3.44Å; F531-T535 PolarHBondContact O-N 2.96Å; F531-T535 PolarHBondContact O-OG1 3.16Å; F531-V569 HydrophobicContact CD2-CG1 4.19Å; F531-V569 HydrophobicContact CE1-CG1 4.32Å; F531-V569 HydrophobicContact CE1-CG2 4.03Å; F531-V569 HydrophobicContact CE2-CG1 3.72Å; F531-V569 HydrophobicContact CZ-CG2 3.8Å; F531-L572 HydrophobicContact CE1-CD1 3.47Å; F531-L572 VanDerWaalsContact CE1-CD1 3.47Å; F531-L572 HydrophobicContact CE2-CD1 3.82Å; F531-L572 HydrophobicContact CZ-CD1 3.97Å; F531-S1273 WeakPolarHBondContact CE2-OG 3.41Å; F531-S1273 WeakPolarHBondContact CZ-OG 3.48Å; F531-A1308 HydrophobicContact CB-CB 4.4Å |
| 532 | G | 88.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q528 T529 T535 K536 | Q528-G532 PolarHBondContact O-N 3.11Å; T529-G532 PolarHBondContact O-N 3.29Å; G532-T535 PolarHBondContact O-N 3.35Å; G532-T535 PolarHBondContact O-OG1 2.95Å; G532-K536 WeakPolarHBondContact O-CB 2.85Å; G532-K536 VanDerWaalsContact O-CG 3.27Å; G532-K536 WeakPolarHBondContact O-CG 3.37Å; G532-K536 PolarHBondContact O-N 3.42Å; G532-K536 VanDerWaalsContact O-N 3.1Å |
| 533 | L | 92.5 | Very high | 89.4 | Confident | 1.5 Ų | 1.5 | 7.4 Ų | 7.4 | 1% | 0.008 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 177.4 | -73.8 | 169 | 0 | 0 | 0 | 112.3 | L374 L413 F416 I485 L486 Y489 T529 Y530 F531 T535 K536 I537 | L374-L533 HydrophobicContact CD1-CD1 4.46Å; L374-L533 HydrophobicContact CD1-CD2 3.86Å; L413-L533 HydrophobicContact CD2-CD2 4.2Å; L413-L533 HydrophobicContact CD2-CG 4.07Å; F416-L533 HydrophobicContact CD1-CD2 4.17Å; F416-L533 HydrophobicContact CE1-CD2 4.17Å; I485-L533 HydrophobicContact CG2-CD1 3.52Å; L486-L533 HydrophobicContact CD2-CB 3.73Å; Y489-L533 HydrophobicContact CD2-CD1 4.16Å; Y489-L533 HydrophobicContact CG-CD1 4.38Å; T529-L533 HydrophobicContact CG2-CD1 4.08Å; T529-L533 HydrophobicContact CG2-CG 4.42Å; T529-L533 WeakPolarHBondContact O-CB 3.18Å; T529-L533 WeakPolarHBondContact O-CG 3.29Å; T529-L533 PolarHBondContact O-N 3.21Å; Y530-L533 PolarHBondContact O-N 3.18Å; F531-L533 VanDerWaalsContact C-N 3.33Å; F531-L533 PolarHBondContact O-N 3.15Å; L533-T535 VanDerWaalsContact C-N 3.32Å; L533-T535 PolarHBondContact O-N 3.13Å; L533-K536 PolarHBondContact O-N 3.17Å; L533-I537 HydrophobicContact CB-CD1 4.32Å; L533-I537 VanDerWaalsContact O-CB 3.26Å; L533-I537 WeakPolarHBondContact O-CB 3.45Å; L533-I537 WeakPolarHBondContact O-CD1 3.46Å; L533-I537 WeakPolarHBondContact O-CG1 3.32Å; L533-I537 PolarHBondContact O-N 3.07Å |
| 534 | I | 90.7 | Very high | 89.7 | Confident | 1.5 Ų | 1.5 | 6.5 Ų | 6.5 | 1% | 0.008 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -56.6 | -49.9 | 177.8 | -69.1 | 163.2 | 0 | 0 | 0 | 110.1 | F456 L486 Y530 F531 K536 I537 F538 A565 V569 | F456-I534 HydrophobicContact CE1-CG2 3.6Å; F456-I534 HydrophobicContact CZ-CG2 3.76Å; L486-I534 HydrophobicContact CD2-CG1 3.69Å; Y530-I534 HydrophobicContact CD1-CD1 3.65Å; Y530-I534 HydrophobicContact CD2-CD1 4.11Å; Y530-I534 HydrophobicContact CD2-CG1 4.34Å; Y530-I534 HydrophobicContact CE1-CD1 3.18Å; Y530-I534 HydrophobicContact CE1-CG1 4.34Å; Y530-I534 HydrophobicContact CE2-CD1 3.69Å; Y530-I534 HydrophobicContact CE2-CG1 4.01Å; Y530-I534 HydrophobicContact CG-CD1 4.09Å; Y530-I534 WeakPolarHBondContact O-CG1 3.18Å; Y530-I534 PolarHBondContact O-N 3Å; Y530-I534 WeakPolarHBondContact OH-CD1 3.25Å; F531-I534 PolarHBondContact O-N 2.77Å; I534-K536 VanDerWaalsContact C-N 3.3Å; I534-K536 PolarHBondContact O-N 3.13Å; I534-I537 PolarHBondContact O-N 2.96Å; I534-F538 VanDerWaalsContact O-CB 3.23Å; I534-F538 WeakPolarHBondContact O-CB 3.28Å; I534-F538 PolarHBondContact O-N 3.16Å; I534-A565 HydrophobicContact CD1-CB 3.79Å; I534-A565 HydrophobicContact CG1-CB 4.18Å; I534-A565 HydrophobicContact CG2-CB 4.17Å; I534-V569 HydrophobicContact CD1-CG2 4.37Å |
| 535 | T | 85.9 | Confident | 89.8 | Confident | 3.5 Ų | 3.5 | 6.1 Ų | 6.1 | 2% | 0.021 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | -176.7 | -2.9 | 0 | 0 | 0 | 0 | 111.5 | F451 V455 F456 F531 G532 L533 K539 | F451-T535 WeakPolarHBondContact CE2-OG1 3.42Å; V455-T535 HydrophobicContact CG1-CG2 3.99Å; F456-T535 HydrophobicContact CE2-CG2 4.14Å; F456-T535 HydrophobicContact CZ-CG2 3.89Å; F531-T535 HydrophobicContact CD1-CG2 4Å; F531-T535 HydrophobicContact CE1-CG2 3.8Å; F531-T535 HydrophobicContact CZ-CG2 4.38Å; F531-T535 VanDerWaalsContact O-CG2 3.29Å; F531-T535 WeakPolarHBondContact O-CG2 3.44Å; F531-T535 PolarHBondContact O-N 2.96Å; F531-T535 PolarHBondContact O-OG1 3.16Å; G532-T535 PolarHBondContact O-N 3.35Å; G532-T535 PolarHBondContact O-OG1 2.95Å; L533-T535 VanDerWaalsContact C-N 3.32Å; L533-T535 PolarHBondContact O-N 3.13Å; T535-K539 VanDerWaalsContact O-CB 3.25Å; T535-K539 WeakPolarHBondContact O-CB 3.35Å; T535-K539 PolarHBondContact O-N 3.37Å |
| 536 | K | 88.4 | Confident | 90 | Very high | 7 Ų | 7 | 6.7 Ų | 6.7 | 3% | 0.03 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.8 | -43.3 | 179.4 | -66.2 | -23.4 | 171.8 | -160.9 | 0 | 112.1 | F416 D417 I420 G532 L533 I534 K539 L540 K1310 | F416-K536 HydrophobicContact CD1-CB 3.8Å; F416-K536 HydrophobicContact CD1-CG 4.39Å; F416-K536 HydrophobicContact CE1-CB 3.91Å; F416-K536 HydrophobicContact CG-CB 4.31Å; D417-K536 HydrophobicContact CB-CD 4.23Å; D417-K536 HydrophobicContact CB-CG 4.48Å; D417-K536 WeakPolarHBondContact OD1-CD 3.43Å; D417-K536 WeakPolarHBondContact OD1-CE 3.27Å; D417-K536 IonicContact OD1-NZ 3.89Å; D417-K536 PolarHBondContact OD1-NZ 3.17Å; I420-K536 HydrophobicContact CD1-CB 3.68Å; I420-K536 HydrophobicContact CD1-CG 4.45Å; I420-K536 VanDerWaalsContact CD1-O 3.25Å; I420-K536 WeakPolarHBondContact CD1-O 3.49Å; G532-K536 WeakPolarHBondContact O-CB 2.85Å; G532-K536 VanDerWaalsContact O-CG 3.27Å; G532-K536 WeakPolarHBondContact O-CG 3.37Å; G532-K536 PolarHBondContact O-N 3.42Å; G532-K536 VanDerWaalsContact O-N 3.1Å; L533-K536 PolarHBondContact O-N 3.17Å; I534-K536 VanDerWaalsContact C-N 3.3Å; I534-K536 PolarHBondContact O-N 3.13Å; K536-K539 PolarHBondContact O-N 2.96Å; K536-L540 WeakPolarHBondContact O-CB 3.4Å; K536-L540 PolarHBondContact O-N 3.26Å; K536-K1310 PolarHBondContact NZ-O 3.42Å; K536-K1310 VanDerWaalsContact NZ-O 3.16Å |
| 537 | I | 92.3 | Very high | 90.1 | Very high | 0.5 Ų | 0.5 | 5.2 Ų | 5.2 | 0% | 0.003 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 177.3 | -68.4 | 166.8 | 0 | 0 | 0 | 110.5 | F416 L482 L486 L533 I534 L540 I541 | F416-I537 HydrophobicContact CE1-CG1 3.78Å; F416-I537 HydrophobicContact CZ-CG1 3.92Å; L482-I537 HydrophobicContact CB-CD1 3.97Å; L482-I537 HydrophobicContact CB-CG1 4.42Å; L482-I537 HydrophobicContact CD1-CG1 4.39Å; L482-I537 HydrophobicContact CD2-CD1 4.22Å; L482-I537 HydrophobicContact CD2-CG1 4.38Å; L482-I537 HydrophobicContact CG-CD1 4.5Å; L486-I537 HydrophobicContact CD1-CD1 3.6Å; L486-I537 HydrophobicContact CD2-CD1 3.97Å; L486-I537 HydrophobicContact CG-CD1 3.63Å; L533-I537 HydrophobicContact CB-CD1 4.32Å; L533-I537 VanDerWaalsContact O-CB 3.26Å; L533-I537 WeakPolarHBondContact O-CB 3.45Å; L533-I537 WeakPolarHBondContact O-CD1 3.46Å; L533-I537 WeakPolarHBondContact O-CG1 3.32Å; L533-I537 PolarHBondContact O-N 3.07Å; I534-I537 PolarHBondContact O-N 2.96Å; I537-L540 WeakPolarHBondContact O-CB 3.46Å; I537-L540 PolarHBondContact O-N 2.96Å; I537-I541 HydrophobicContact CG2-CD1 3.69Å; I537-I541 HydrophobicContact CG2-CG1 4.46Å; I537-I541 WeakPolarHBondContact O-CG1 3.43Å; I537-I541 PolarHBondContact O-N 3.23Å |
| 538 | F | 91.2 | Very high | 90.1 | Very high | 0.5 Ų | 0.5 | 10.6 Ų | 10.6 | 0% | 0.002 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 178.4 | -173.6 | -110.2 | 0 | 0 | 0 | 111.4 | V455 F456 I458 I534 L540 I541 S542 G585 L586 Y589 | V455-F538 HydrophobicContact CB-CD1 4.42Å; V455-F538 HydrophobicContact CG1-CD1 4.21Å; V455-F538 HydrophobicContact CG2-CD1 4.5Å; V455-F538 WeakPolarHBondContact O-CD1 3.39Å; V455-F538 WeakPolarHBondContact O-CE1 3.38Å; F456-F538 HydrophobicContact CD1-CD1 4.07Å; I458-F538 HydrophobicContact CD1-CE1 4.5Å; I534-F538 VanDerWaalsContact O-CB 3.23Å; I534-F538 WeakPolarHBondContact O-CB 3.28Å; I534-F538 PolarHBondContact O-N 3.16Å; F538-L540 VanDerWaalsContact C-N 3.33Å; F538-L540 PolarHBondContact O-N 3.28Å; F538-I541 PolarHBondContact O-N 2.96Å; F538-S542 VanDerWaalsContact O-CB 3.27Å; F538-S542 WeakPolarHBondContact O-CB 3.4Å; F538-S542 PolarHBondContact O-N 2.95Å; F538-S542 PolarHBondContact O-OG 3.13Å; F538-G585 VanDerWaalsContact CZ-C 3.48Å; F538-L586 HydrophobicContact CD2-CD1 3.71Å; F538-L586 HydrophobicContact CE1-CB 4.18Å; F538-L586 HydrophobicContact CE2-CB 4.08Å; F538-L586 HydrophobicContact CE2-CD1 3.73Å; F538-L586 HydrophobicContact CG-CD1 4.4Å; F538-L586 VanDerWaalsContact CZ-CA 3.5Å; F538-L586 HydrophobicContact CZ-CB 3.92Å; F538-L586 HydrophobicContact CZ-CD1 4.43Å; F538-Y589 AromaticContact CE2-CD2 3.61Å; F538-Y589 HydrophobicContact CE2-CD2 3.61Å; F538-Y589 HydrophobicContact CE2-CE2 4.05Å; F538-Y589 HydrophobicContact CE2-CG 4.04Å; F538-Y589 AromaticContact CZ-CD2 3.75Å; F538-Y589 HydrophobicContact CZ-CD2 3.75Å; F538-Y589 AromaticContact CZ-CE2 3.96Å; F538-Y589 HydrophobicContact CZ-CE2 3.96Å |
| 539 | K | 87.1 | Confident | 90.2 | Very high | 33 Ų | 33 | 12.1 Ų | 12.1 | 14% | 0.143 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.4 | -48.2 | 170.6 | 178.4 | -179.6 | 172.9 | -174.8 | 0 | 111.1 | D417 I420 N421 T535 K536 I541 S542 S543 | D417-K539 IonicContact OD1-NZ 3.79Å; I420-K539 HydrophobicContact CG2-CD 4.45Å; I420-K539 HydrophobicContact CG2-CG 4.45Å; N421-K539 PolarHBondContact OD1-NZ 2.93Å; N421-K539 VanDerWaalsContact OD1-NZ 3.17Å; T535-K539 VanDerWaalsContact O-CB 3.25Å; T535-K539 WeakPolarHBondContact O-CB 3.35Å; T535-K539 PolarHBondContact O-N 3.37Å; K536-K539 PolarHBondContact O-N 2.96Å; K539-I541 PolarHBondContact O-N 3.05Å; K539-S542 PolarHBondContact O-OG 3.11Å; K539-S543 WeakPolarHBondContact O-CB 3.28Å; K539-S543 PolarHBondContact O-N 3.21Å; K539-S543 PolarHBondContact O-OG 3.2Å |
| 540 | L | 90.1 | Very high | 90.3 | Very high | 1.5 Ų | 1.5 | 12.1 Ų | 12.1 | 1% | 0.008 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57 | -51.4 | 177 | 176.2 | 64.3 | 0 | 0 | 0 | 111.3 | F367 I420 L423 M479 K536 I537 F538 L544 | F367-L540 HydrophobicContact CD2-CD2 4.27Å; F367-L540 HydrophobicContact CE2-CD1 4.32Å; F367-L540 HydrophobicContact CE2-CD2 4.1Å; I420-L540 HydrophobicContact CD1-CB 4.22Å; I420-L540 HydrophobicContact CG1-CB 4.3Å; I420-L540 HydrophobicContact CG1-CD1 4.39Å; L423-L540 HydrophobicContact CD2-CD1 3.63Å; M479-L540 HydrophobicContact SD-CD2 4.48Å; K536-L540 WeakPolarHBondContact O-CB 3.4Å; K536-L540 PolarHBondContact O-N 3.26Å; I537-L540 WeakPolarHBondContact O-CB 3.46Å; I537-L540 PolarHBondContact O-N 2.96Å; F538-L540 VanDerWaalsContact C-N 3.33Å; F538-L540 PolarHBondContact O-N 3.28Å; L540-L544 HydrophobicContact CD1-CD1 3.59Å; L540-L544 HydrophobicContact CD1-CG 4.19Å; L540-L544 HydrophobicContact CG-CD1 4.08Å; L540-L544 WeakPolarHBondContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CG 3.25Å; L540-L544 PolarHBondContact O-N 3.38Å; L540-L544 VanDerWaalsContact O-N 3.16Å |
| 541 | I | 92 | Very high | 90.4 | Very high | 1.5 Ų | 1.5 | 15 Ų | 15 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.9 | -49.6 | -178.1 | -67.9 | 165.2 | 0 | 0 | 0 | 111.2 | M479 I537 F538 K539 S543 L544 F545 A550 L554 V558 L562 Y589 | M479-I541 HydrophobicContact CE-CD1 3.78Å; M479-I541 HydrophobicContact CE-CG1 3.82Å; I537-I541 HydrophobicContact CG2-CD1 3.69Å; I537-I541 HydrophobicContact CG2-CG1 4.46Å; I537-I541 WeakPolarHBondContact O-CG1 3.43Å; I537-I541 PolarHBondContact O-N 3.23Å; F538-I541 PolarHBondContact O-N 2.96Å; K539-I541 PolarHBondContact O-N 3.05Å; I541-S543 VanDerWaalsContact C-N 3.26Å; I541-S543 PolarHBondContact O-N 3.4Å; I541-L544 PolarHBondContact O-N 2.9Å; I541-L544 VanDerWaalsContact O-N 3.12Å; I541-F545 PolarHBondContact O-N 3.07Å; I541-A550 HydrophobicContact CG2-CB 4.15Å; I541-L554 HydrophobicContact CD1-CD1 3.89Å; I541-L554 HydrophobicContact CD1-CD2 4.19Å; I541-L554 HydrophobicContact CG1-CD1 4.31Å; I541-L554 HydrophobicContact CG1-CD2 4.22Å; I541-L554 HydrophobicContact CG2-CD1 3.93Å; I541-V558 HydrophobicContact CD1-CG1 4.1Å; I541-L562 HydrophobicContact CD1-CD1 3.58Å; I541-Y589 HydrophobicContact CG2-CD1 4.31Å; I541-Y589 HydrophobicContact CG2-CE1 4.08Å |
| 542 | S | 89 | Confident | 90.6 | Very high | 2.5 Ų | 2.5 | 19.1 Ų | 19.1 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.3 | -26.9 | -176.6 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | P461 F538 K539 Y589 | P461-S542 WeakPolarHBondContact CD-O 3.19Å; P461-S542 WeakPolarHBondContact CG-O 3.3Å; F538-S542 VanDerWaalsContact O-CB 3.27Å; F538-S542 WeakPolarHBondContact O-CB 3.4Å; F538-S542 PolarHBondContact O-N 2.95Å; F538-S542 PolarHBondContact O-OG 3.13Å; K539-S542 PolarHBondContact O-OG 3.11Å; S542-Y589 WeakPolarHBondContact CA-OH 3.48Å |
| 543 | S | 86.8 | Confident | 90.7 | Very high | 20 Ų | 20 | 20 Ų | 20 | 14% | 0.14 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -79.3 | -25.3 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | L424 Y432 K539 I541 | L424-S543 VanDerWaalsContact CD2-CB 3.48Å; Y432-S543 WeakPolarHBondContact OH-CB 3.49Å; Y432-S543 PolarHBondContact OH-OG 3.44Å; K539-S543 WeakPolarHBondContact O-CB 3.28Å; K539-S543 PolarHBondContact O-N 3.21Å; K539-S543 PolarHBondContact O-OG 3.2Å; I541-S543 VanDerWaalsContact C-N 3.26Å; I541-S543 PolarHBondContact O-N 3.4Å |
| 544 | L | 89.2 | Confident | 90.8 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -93.8 | -40 | -175.7 | -70.3 | -179 | 0 | 0 | 0 | 113.6 | F364 L423 L424 L427 D464 L465 I466 L540 I541 | F364-L544 HydrophobicContact CZ-CD1 4.45Å; L423-L544 HydrophobicContact CD2-CD1 4.33Å; L423-L544 HydrophobicContact CD2-CD2 4.47Å; L424-L544 HydrophobicContact CD2-CD2 4.21Å; L427-L544 HydrophobicContact CD1-CD2 3.75Å; D464-L544 WeakPolarHBondContact CA-O 3.32Å; L465-L544 HydrophobicContact CB-CD2 4.36Å; L465-L544 HydrophobicContact CD2-CD2 4.11Å; L465-L544 PolarHBondContact N-O 3.19Å; I466-L544 HydrophobicContact CD1-CD1 4.3Å; I466-L544 HydrophobicContact CD1-CD2 3.68Å; I466-L544 HydrophobicContact CG1-CD2 4.05Å; L540-L544 HydrophobicContact CD1-CD1 3.59Å; L540-L544 HydrophobicContact CD1-CG 4.19Å; L540-L544 HydrophobicContact CG-CD1 4.08Å; L540-L544 WeakPolarHBondContact O-CB 3.26Å; L540-L544 WeakPolarHBondContact O-CG 3.25Å; L540-L544 PolarHBondContact O-N 3.38Å; L540-L544 VanDerWaalsContact O-N 3.16Å; I541-L544 PolarHBondContact O-N 2.9Å; I541-L544 VanDerWaalsContact O-N 3.12Å |
| 545 | F | 92.2 | Very high | 91 | Very high | 2.5 Ų | 2.5 | 20.9 Ų | 20.9 | 1% | 0.011 | 12% | 0.123 | C | C | . | . | trans | -131.4 | 142.4 | -162.8 | -58.9 | -57.3 | 0 | 0 | 0 | 112.9 | P461 D464 L471 F475 I541 T549 A550 V553 Y589 | P461-F545 VanDerWaalsContact CG-O 3.31Å; P461-F545 WeakPolarHBondContact CG-O 3.24Å; D464-F545 WeakPolarHBondContact OD1-CA 3.32Å; L471-F545 HydrophobicContact CD1-CE1 4.28Å; L471-F545 HydrophobicContact CD1-CZ 4.1Å; L471-F545 HydrophobicContact CD2-CE1 4.24Å; L471-F545 HydrophobicContact CD2-CZ 3.82Å; F475-F545 AromaticContact CE2-CE2 3.85Å; F475-F545 HydrophobicContact CE2-CE2 3.85Å; F475-F545 AromaticContact CE2-CZ 3.93Å; F475-F545 HydrophobicContact CE2-CZ 3.93Å; F475-F545 AromaticContact CZ-CE2 3.73Å; F475-F545 HydrophobicContact CZ-CE2 3.73Å; F475-F545 AromaticContact CZ-CZ 3.92Å; F475-F545 HydrophobicContact CZ-CZ 3.92Å; I541-F545 PolarHBondContact O-N 3.07Å; F545-T549 WeakPolarHBondContact CB-OG1 3.48Å; F545-A550 HydrophobicContact CB-CB 4.01Å; F545-V553 HydrophobicContact CZ-CG1 4.27Å; F545-Y589 PolarHBondContact O-OH 3.15Å | ||
| 546 | T | 91.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | trans | -65.3 | 161.5 | 162.2 | 83.7 | 0 | 0 | 0 | 0 | 110.2 | P461 D464 E548 T549 A550 | P461-T546 VanDerWaalsContact O-CG2 3.28Å; P461-T546 WeakPolarHBondContact O-CG2 3.37Å; D464-T546 WeakPolarHBondContact OD1-CG2 3.38Å; D464-T546 PolarHBondContact OD1-N 3.11Å; T546-E548 VanDerWaalsContact CB-OE2 3.31Å; T546-E548 WeakPolarHBondContact CB-OE2 3.27Å; T546-E548 PolarHBondContact O-N 3.49Å; T546-E548 PolarHBondContact OG1-OE2 2.83Å; T546-T549 PolarHBondContact N-OG1 3.25Å; T546-T549 VanDerWaalsContact N-OG1 3.14Å; T546-T549 PolarHBondContact O-N 3.11Å; T546-T549 PolarHBondContact O-OG1 2.97Å; T546-T549 VanDerWaalsContact O-OG1 3.06Å; T546-T549 PolarHBondContact OG1-OG1 3.11Å; T546-A550 VanDerWaalsContact O-CB 3.27Å; T546-A550 WeakPolarHBondContact O-CB 3.32Å; T546-A550 PolarHBondContact O-N 3.28Å | ||
| 547 | P | 91.6 | Very high | 91.3 | Very high | 12.5 Ų | 12.5 | 27.2 Ų | 27.2 | 8% | 0.081 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -35.9 | 178.5 | -27.1 | 37.9 | 0 | 0 | 0 | 113.4 | P460 L551 Y589 L592 | P460-P547 HydrophobicContact CB-CG 3.8Å; P460-P547 HydrophobicContact CG-CG 4.1Å; P547-L551 PolarHBondContact O-N 3.11Å; P547-L551 VanDerWaalsContact O-N 3.08Å; P547-Y589 HydrophobicContact CB-CD1 4.19Å; P547-Y589 HydrophobicContact CB-CE1 4.29Å; P547-Y589 HydrophobicContact CB-CG 4.46Å; P547-Y589 HydrophobicContact CG-CD1 4.41Å; P547-Y589 HydrophobicContact CG-CD2 4.44Å; P547-Y589 HydrophobicContact CG-CE1 4.16Å; P547-Y589 HydrophobicContact CG-CE2 4.19Å; P547-L592 VanDerWaalsContact C-CD1 3.46Å; P547-L592 HydrophobicContact CB-CD1 3.52Å; P547-L592 WeakPolarHBondContact O-CD1 3Å |
| 548 | E | 91.6 | Very high | 91.4 | Very high | 118 Ų | 118 | 27.2 Ų | 27.2 | 55% | 0.551 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -69.7 | -42.8 | -178.9 | -58.7 | 73.6 | -159 | 0 | 0 | 112 | T546 L551 A552 L592 | T546-E548 VanDerWaalsContact CB-OE2 3.31Å; T546-E548 WeakPolarHBondContact CB-OE2 3.27Å; T546-E548 PolarHBondContact O-N 3.49Å; T546-E548 PolarHBondContact OG1-OE2 2.83Å; E548-L551 WeakPolarHBondContact O-CB 3.31Å; E548-L551 PolarHBondContact O-N 2.96Å; E548-A552 PolarHBondContact O-N 3.14Å; E548-L592 HydrophobicContact CG-CD1 4.25Å |
| 549 | T | 91.8 | Very high | 91.5 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 19% | 0.19 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.7 | -36.4 | 179.5 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | D464 F545 T546 L551 A552 V553 | D464-T549 WeakPolarHBondContact OD1-CB 3.43Å; D464-T549 WeakPolarHBondContact OD1-CG2 3.49Å; D464-T549 PolarHBondContact OD1-OG1 3.2Å; D464-T549 WeakPolarHBondContact OD2-CG2 3.47Å; F545-T549 WeakPolarHBondContact CB-OG1 3.48Å; T546-T549 PolarHBondContact N-OG1 3.25Å; T546-T549 VanDerWaalsContact N-OG1 3.14Å; T546-T549 PolarHBondContact O-N 3.11Å; T546-T549 PolarHBondContact O-OG1 2.97Å; T546-T549 VanDerWaalsContact O-OG1 3.06Å; T546-T549 PolarHBondContact OG1-OG1 3.11Å; T549-L551 VanDerWaalsContact C-N 3.27Å; T549-L551 PolarHBondContact O-N 3.03Å; T549-A552 PolarHBondContact O-N 3.14Å; T549-A552 VanDerWaalsContact O-N 3.12Å; T549-V553 WeakPolarHBondContact O-CB 3.39Å; T549-V553 WeakPolarHBondContact O-CG2 3.38Å; T549-V553 PolarHBondContact O-N 3.2Å |
| 550 | A | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -39.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I541 F545 T546 A552 L554 Y589 F593 | I541-A550 HydrophobicContact CG2-CB 4.15Å; F545-A550 HydrophobicContact CB-CB 4.01Å; T546-A550 VanDerWaalsContact O-CB 3.27Å; T546-A550 WeakPolarHBondContact O-CB 3.32Å; T546-A550 PolarHBondContact O-N 3.28Å; A550-A552 VanDerWaalsContact C-N 3.3Å; A550-A552 PolarHBondContact O-N 3.22Å; A550-L554 HydrophobicContact CB-CD1 3.89Å; A550-L554 HydrophobicContact CB-CG 4.43Å; A550-L554 WeakPolarHBondContact O-CB 3.38Å; A550-L554 WeakPolarHBondContact O-CD1 3.38Å; A550-L554 WeakPolarHBondContact O-CG 3.35Å; A550-L554 PolarHBondContact O-N 3.11Å; A550-L554 VanDerWaalsContact O-N 3.1Å; A550-Y589 HydrophobicContact CB-CD1 3.78Å; A550-Y589 HydrophobicContact CB-CE1 3.78Å; A550-F593 HydrophobicContact CB-CE1 4.09Å; A550-F593 HydrophobicContact CB-CZ 4.04Å |
| 551 | L | 94.1 | Very high | 91.8 | Very high | 62.5 Ų | 62.5 | 30 Ų | 30 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.4 | -41 | 175.8 | 176.6 | 66.7 | 0 | 0 | 0 | 112 | P547 E548 T549 K559 L592 F593 | P547-L551 PolarHBondContact O-N 3.11Å; P547-L551 VanDerWaalsContact O-N 3.08Å; E548-L551 WeakPolarHBondContact O-CB 3.31Å; E548-L551 PolarHBondContact O-N 2.96Å; T549-L551 VanDerWaalsContact C-N 3.27Å; T549-L551 PolarHBondContact O-N 3.03Å; L551-K559 HydrophobicContact CD1-CD 4.1Å; L551-K559 PolarHBondContact O-NZ 2.86Å; L551-L592 WeakPolarHBondContact CD1-O 3.42Å; L551-L592 HydrophobicContact CD2-CB 4.33Å; L551-F593 HydrophobicContact CB-CD1 4.37Å; L551-F593 HydrophobicContact CB-CE1 4.35Å; L551-F593 HydrophobicContact CD1-CD1 4.01Å |
| 552 | A | 91.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 71% | 0.711 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -76.3 | -38.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E548 T549 A550 | E548-A552 PolarHBondContact O-N 3.14Å; T549-A552 PolarHBondContact O-N 3.14Å; T549-A552 VanDerWaalsContact O-N 3.12Å; A550-A552 VanDerWaalsContact C-N 3.3Å; A550-A552 PolarHBondContact O-N 3.22Å |
| 553 | V | 91.8 | Very high | 92 | Very high | 20 Ų | 20 | 29.8 Ų | 29.8 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -94.1 | -29.9 | -169.9 | 178.9 | 0 | 0 | 0 | 0 | 112.6 | L471 F475 Y476 F545 T549 | L471-V553 HydrophobicContact CD1-CB 4.49Å; L471-V553 HydrophobicContact CD1-CG1 3.45Å; L471-V553 HydrophobicContact CD1-CG2 4.35Å; F475-V553 HydrophobicContact CD1-CG1 4.07Å; F475-V553 HydrophobicContact CE1-CG1 3.28Å; F475-V553 HydrophobicContact CZ-CG1 3.76Å; Y476-V553 HydrophobicContact CE1-CG1 4.33Å; F545-V553 HydrophobicContact CZ-CG1 4.27Å; T549-V553 WeakPolarHBondContact O-CB 3.39Å; T549-V553 WeakPolarHBondContact O-CG2 3.38Å; T549-V553 PolarHBondContact O-N 3.2Å |
| 554 | L | 94.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -78.4 | 139.5 | -174.1 | -64.2 | 175.4 | 0 | 0 | 0 | 113.4 | F475 M479 I541 A550 K559 F593 | F475-L554 HydrophobicContact CZ-CD2 4.31Å; M479-L554 HydrophobicContact CE-CD2 3.41Å; M479-L554 VanDerWaalsContact CE-CD2 3.5Å; M479-L554 HydrophobicContact CG-CD2 4.35Å; I541-L554 HydrophobicContact CD1-CD1 3.89Å; I541-L554 HydrophobicContact CD1-CD2 4.19Å; I541-L554 HydrophobicContact CG1-CD1 4.31Å; I541-L554 HydrophobicContact CG1-CD2 4.22Å; I541-L554 HydrophobicContact CG2-CD1 3.93Å; A550-L554 HydrophobicContact CB-CD1 3.89Å; A550-L554 HydrophobicContact CB-CG 4.43Å; A550-L554 WeakPolarHBondContact O-CB 3.38Å; A550-L554 WeakPolarHBondContact O-CD1 3.38Å; A550-L554 WeakPolarHBondContact O-CG 3.35Å; A550-L554 PolarHBondContact O-N 3.11Å; A550-L554 VanDerWaalsContact O-N 3.1Å; L554-K559 HydrophobicContact CB-CD 4.34Å; L554-K559 HydrophobicContact CB-CG 3.96Å; L554-K559 VanDerWaalsContact O-CE 3.24Å; L554-K559 WeakPolarHBondContact O-CE 3.42Å; L554-K559 PolarHBondContact O-NZ 3.34Å; L554-F593 HydrophobicContact CD1-CE1 4.36Å; L554-F593 HydrophobicContact CD1-CE2 4.33Å; L554-F593 HydrophobicContact CD1-CZ 3.67Å |
| 555 | P | 94.3 | Very high | 92.3 | Very high | 16.5 Ų | 16.5 | 29.3 Ų | 29.3 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | trans | -57.1 | 151.1 | 171.1 | -23.2 | 32.6 | 0 | 0 | 0 | 112.7 | Y476 M479 E480 N557 V558 K559 | Y476-P555 HydrophobicContact CD2-CG 3.98Å; Y476-P555 HydrophobicContact CE1-CG 4.27Å; Y476-P555 HydrophobicContact CE2-CB 4.06Å; Y476-P555 HydrophobicContact CE2-CG 3.73Å; Y476-P555 HydrophobicContact CG-CG 4.37Å; M479-P555 HydrophobicContact CB-CG 3.86Å; E480-P555 HydrophobicContact CB-CB 4.42Å; E480-P555 HydrophobicContact CB-CG 4.16Å; P555-N557 VanDerWaalsContact C-N 3.28Å; P555-N557 PolarHBondContact O-N 3.17Å; P555-V558 HydrophobicContact CB-CG2 4.41Å; P555-V558 HydrophobicContact CG-CG2 4.42Å; P555-V558 PolarHBondContact O-N 3.03Å; P555-K559 PolarHBondContact O-N 3.04Å; P555-K559 VanDerWaalsContact O-N 3.16Å | ||
| 556 | T | 91.8 | Very high | 92.3 | Very high | 97.5 Ų | 97.5 | 29.2 Ų | 29.2 | 60% | 0.598 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -58.4 | -38.9 | 179.1 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | K559 N560 | T556-K559 PolarHBondContact O-N 3.31Å; T556-N560 WeakPolarHBondContact O-CB 3.37Å; T556-N560 VanDerWaalsContact O-CG 3.24Å; T556-N560 PolarHBondContact O-N 3.16Å; T556-N560 PolarHBondContact O-ND2 2.91Å |
| 557 | N | 90.3 | Very high | 92.1 | Very high | 45.5 Ų | 45.5 | 28.5 Ų | 28.5 | 24% | 0.243 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 178.8 | -171.6 | 23.2 | 0 | 0 | 0 | 111.8 | G483 S484 P555 K559 N560 Q561 | G483-N557 PolarHBondContact O-ND2 3.12Å; S484-N557 PolarHBondContact N-ND2 3.23Å; S484-N557 VanDerWaalsContact N-ND2 3.16Å; P555-N557 VanDerWaalsContact C-N 3.28Å; P555-N557 PolarHBondContact O-N 3.17Å; N557-K559 PolarHBondContact O-N 3.24Å; N557-N560 PolarHBondContact O-N 3.36Å; N557-Q561 WeakPolarHBondContact O-CG 3.08Å; N557-Q561 PolarHBondContact O-N 3.07Å |
| 558 | V | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | M479 I541 P555 N560 Q561 L562 | M479-V558 HydrophobicContact CB-CG2 4.44Å; M479-V558 HydrophobicContact CE-CG1 4.25Å; M479-V558 WeakPolarHBondContact O-CG2 3.38Å; I541-V558 HydrophobicContact CD1-CG1 4.1Å; P555-V558 HydrophobicContact CB-CG2 4.41Å; P555-V558 HydrophobicContact CG-CG2 4.42Å; P555-V558 PolarHBondContact O-N 3.03Å; V558-N560 VanDerWaalsContact C-N 3.3Å; V558-N560 PolarHBondContact O-N 3.31Å; V558-Q561 PolarHBondContact O-N 2.89Å; V558-L562 HydrophobicContact CG1-CD1 3.88Å; V558-L562 HydrophobicContact CG1-CG 4.32Å; V558-L562 WeakPolarHBondContact O-CB 3.39Å; V558-L562 WeakPolarHBondContact O-CG 3.29Å; V558-L562 PolarHBondContact O-N 3.49Å |
| 559 | K | 94.3 | Very high | 91.3 | Very high | 34.5 Ų | 34.5 | 22.7 Ų | 22.7 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.1 | -42.5 | 177.2 | -71.4 | -172.2 | -70.3 | -165.9 | 0 | 111.8 | L551 L554 P555 T556 N557 S563 F593 | L551-K559 HydrophobicContact CD1-CD 4.1Å; L551-K559 PolarHBondContact O-NZ 2.86Å; L554-K559 HydrophobicContact CB-CD 4.34Å; L554-K559 HydrophobicContact CB-CG 3.96Å; L554-K559 VanDerWaalsContact O-CE 3.24Å; L554-K559 WeakPolarHBondContact O-CE 3.42Å; L554-K559 PolarHBondContact O-NZ 3.34Å; P555-K559 PolarHBondContact O-N 3.04Å; P555-K559 VanDerWaalsContact O-N 3.16Å; T556-K559 PolarHBondContact O-N 3.31Å; N557-K559 PolarHBondContact O-N 3.24Å; K559-S563 WeakPolarHBondContact O-CB 3.25Å; K559-S563 PolarHBondContact O-N 3.21Å; K559-S563 PolarHBondContact O-OG 2.96Å; K559-F593 HydrophobicContact CB-CB 4.09Å; K559-F593 HydrophobicContact CB-CD1 4.48Å; K559-F593 HydrophobicContact CB-CD2 4.06Å; K559-F593 HydrophobicContact CB-CG 3.96Å; K559-F593 HydrophobicContact CD-CB 4.48Å; K559-F593 HydrophobicContact CD-CD1 3.74Å; K559-F593 HydrophobicContact CD-CE1 4.13Å; K559-F593 HydrophobicContact CD-CG 4.09Å; K559-F593 HydrophobicContact CG-CB 4.4Å; K559-F593 HydrophobicContact CG-CD1 3.87Å; K559-F593 HydrophobicContact CG-CD2 4.01Å; K559-F593 HydrophobicContact CG-CE1 4.11Å; K559-F593 HydrophobicContact CG-CE2 4.22Å; K559-F593 HydrophobicContact CG-CG 3.83Å; K559-F593 HydrophobicContact CG-CZ 4.27Å |
| 560 | N | 91.5 | Very high | 90.4 | Very high | 46.5 Ų | 46.5 | 21.2 Ų | 21.2 | 25% | 0.249 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.9 | -46.4 | 176.8 | -69.9 | -17 | 0 | 0 | 0 | 112 | T556 N557 V558 L562 S563 F564 | T556-N560 WeakPolarHBondContact O-CB 3.37Å; T556-N560 VanDerWaalsContact O-CG 3.24Å; T556-N560 PolarHBondContact O-N 3.16Å; T556-N560 PolarHBondContact O-ND2 2.91Å; N557-N560 PolarHBondContact O-N 3.36Å; V558-N560 VanDerWaalsContact C-N 3.3Å; V558-N560 PolarHBondContact O-N 3.31Å; N560-L562 PolarHBondContact O-N 2.88Å; N560-S563 WeakPolarHBondContact O-CB 3.36Å; N560-S563 PolarHBondContact O-N 3.38Å; N560-S563 VanDerWaalsContact O-N 3.13Å; N560-F564 HydrophobicContact CB-CE2 4.32Å; N560-F564 VanDerWaalsContact O-CD2 3.3Å; N560-F564 WeakPolarHBondContact O-CD2 3.38Å; N560-F564 WeakPolarHBondContact O-CG 3.33Å; N560-F564 PolarHBondContact O-N 3.31Å |
| 561 | Q | 92 | Very high | 89.3 | Confident | 12.5 Ų | 12.5 | 21.7 Ų | 21.7 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 179.1 | -65.6 | -49.1 | -42.8 | 0 | 0 | 112.4 | L486 N557 V558 S563 F564 A565 | L486-Q561 HydrophobicContact CB-CB 3.99Å; L486-Q561 HydrophobicContact CB-CG 4Å; L486-Q561 HydrophobicContact CD1-CB 4.04Å; N557-Q561 WeakPolarHBondContact O-CG 3.08Å; N557-Q561 PolarHBondContact O-N 3.07Å; V558-Q561 PolarHBondContact O-N 2.89Å; Q561-S563 VanDerWaalsContact C-N 3.32Å; Q561-F564 PolarHBondContact O-N 3.46Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.08Å |
| 562 | L | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 173.7 | -71.1 | 175.6 | 0 | 0 | 0 | 112.2 | I541 V558 N560 A565 L566 L586 F593 | I541-L562 HydrophobicContact CD1-CD1 3.58Å; V558-L562 HydrophobicContact CG1-CD1 3.88Å; V558-L562 HydrophobicContact CG1-CG 4.32Å; V558-L562 WeakPolarHBondContact O-CB 3.39Å; V558-L562 WeakPolarHBondContact O-CG 3.29Å; V558-L562 PolarHBondContact O-N 3.49Å; N560-L562 PolarHBondContact O-N 2.88Å; L562-A565 WeakPolarHBondContact O-CB 3.24Å; L562-A565 PolarHBondContact O-N 3.07Å; L562-L566 PolarHBondContact O-N 3.25Å; L562-L566 VanDerWaalsContact O-N 3.13Å; L562-L586 HydrophobicContact CB-CD1 4.2Å; L562-L586 HydrophobicContact CD2-CD1 4.36Å; L562-F593 HydrophobicContact CB-CD2 4.46Å; L562-F593 HydrophobicContact CB-CE2 4.41Å; L562-F593 HydrophobicContact CD1-CE2 3.95Å |
| 563 | S | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 173.6 | -56 | 0 | 0 | 0 | 0 | 111.4 | K559 N560 Q561 A565 L566 I597 | K559-S563 WeakPolarHBondContact O-CB 3.25Å; K559-S563 PolarHBondContact O-N 3.21Å; K559-S563 PolarHBondContact O-OG 2.96Å; N560-S563 WeakPolarHBondContact O-CB 3.36Å; N560-S563 PolarHBondContact O-N 3.38Å; N560-S563 VanDerWaalsContact O-N 3.13Å; Q561-S563 VanDerWaalsContact C-N 3.32Å; S563-A565 VanDerWaalsContact C-N 3.34Å; S563-L566 WeakPolarHBondContact O-CB 3.25Å; S563-L566 PolarHBondContact O-N 3.07Å; S563-I597 VanDerWaalsContact O-CG2 3.31Å; S563-I597 WeakPolarHBondContact O-CG2 3.37Å |
| 564 | F | 91.7 | Very high | 85.2 | Confident | 10.5 Ų | 10.5 | 19.5 Ų | 19.5 | 5% | 0.046 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.7 | -37.8 | 173.8 | -61 | -36.6 | 0 | 0 | 0 | 112.4 | N560 Q561 L566 L567 D568 I597 N1194 V1197 L1198 L1201 | N560-F564 HydrophobicContact CB-CE2 4.32Å; N560-F564 VanDerWaalsContact O-CD2 3.3Å; N560-F564 WeakPolarHBondContact O-CD2 3.38Å; N560-F564 WeakPolarHBondContact O-CG 3.33Å; N560-F564 PolarHBondContact O-N 3.31Å; Q561-F564 PolarHBondContact O-N 3.46Å; F564-L566 PolarHBondContact O-N 3.21Å; F564-L567 PolarHBondContact O-N 2.88Å; F564-L567 VanDerWaalsContact O-N 3.09Å; F564-D568 PolarHBondContact O-N 3.23Å; F564-I597 HydrophobicContact CD1-CD1 3.91Å; F564-I597 HydrophobicContact CE1-CD1 3.78Å; F564-N1194 HydrophobicContact CE2-CB 4.48Å; F564-N1194 HydrophobicContact CZ-CB 3.91Å; F564-V1197 HydrophobicContact CD2-CG1 4.26Å; F564-V1197 HydrophobicContact CG-CG1 4.35Å; F564-L1198 HydrophobicContact CD1-CD1 4.16Å; F564-L1198 HydrophobicContact CE1-CD1 4.13Å; F564-L1201 HydrophobicContact CB-CD1 4.09Å |
| 565 | A | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I534 Q561 L562 S563 L567 D568 V569 L586 | I534-A565 HydrophobicContact CD1-CB 3.79Å; I534-A565 HydrophobicContact CG1-CB 4.18Å; I534-A565 HydrophobicContact CG2-CB 4.17Å; Q561-A565 WeakPolarHBondContact O-CB 3.4Å; Q561-A565 PolarHBondContact O-N 3.08Å; L562-A565 WeakPolarHBondContact O-CB 3.24Å; L562-A565 PolarHBondContact O-N 3.07Å; S563-A565 VanDerWaalsContact C-N 3.34Å; A565-L567 VanDerWaalsContact C-N 3.3Å; A565-L567 PolarHBondContact O-N 2.92Å; A565-D568 PolarHBondContact O-N 2.79Å; A565-D568 VanDerWaalsContact O-N 3.13Å; A565-V569 WeakPolarHBondContact O-CB 3.45Å; A565-V569 VanDerWaalsContact O-CG2 3.27Å; A565-V569 WeakPolarHBondContact O-CG2 3.48Å; A565-V569 PolarHBondContact O-N 2.85Å; A565-L586 HydrophobicContact CB-CD2 4.38Å |
| 566 | L | 90.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | 174.8 | 177.9 | 64.9 | 0 | 0 | 0 | 111.9 | F456 L562 S563 F564 S570 I573 L586 P587 V590 W601 | F456-L566 HydrophobicContact CD1-CD1 4.5Å; F456-L566 HydrophobicContact CE1-CD1 3.5Å; F456-L566 VanDerWaalsContact CE1-CD1 3.5Å; F456-L566 HydrophobicContact CZ-CD1 3.92Å; L562-L566 PolarHBondContact O-N 3.25Å; L562-L566 VanDerWaalsContact O-N 3.13Å; S563-L566 WeakPolarHBondContact O-CB 3.25Å; S563-L566 PolarHBondContact O-N 3.07Å; F564-L566 PolarHBondContact O-N 3.21Å; L566-S570 WeakPolarHBondContact O-CA 3.35Å; L566-S570 WeakPolarHBondContact O-CB 3.37Å; L566-S570 PolarHBondContact O-N 3.09Å; L566-I573 HydrophobicContact CD1-CD1 3.99Å; L566-L586 HydrophobicContact CB-CD2 4.1Å; L566-L586 HydrophobicContact CB-CG 4.39Å; L566-L586 HydrophobicContact CD1-CD2 4.39Å; L566-L586 HydrophobicContact CD1-CG 4.43Å; L566-P587 HydrophobicContact CD1-CG 3.85Å; L566-V590 HydrophobicContact CB-CG1 4.47Å; L566-V590 HydrophobicContact CB-CG2 4.13Å; L566-V590 HydrophobicContact CD2-CB 3.83Å; L566-V590 HydrophobicContact CD2-CG1 3.63Å; L566-V590 HydrophobicContact CD2-CG2 4.23Å; L566-W601 HydrophobicContact CD1-CD2 4.14Å; L566-W601 HydrophobicContact CD1-CG 4.17Å; L566-W601 HydrophobicContact CD1-CZ2 4.45Å; L566-W601 HydrophobicContact CD2-CB 3.93Å; L566-W601 HydrophobicContact CD2-CD2 4.07Å; L566-W601 HydrophobicContact CD2-CE3 4.43Å; L566-W601 HydrophobicContact CD2-CG 3.82Å; L566-W601 HydrophobicContact CG-CB 4.24Å; L566-W601 HydrophobicContact CG-CD2 4.23Å; L566-W601 HydrophobicContact CG-CG 3.82Å |
| 567 | L | 88.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.6 | -34.6 | 177.6 | -68.1 | 175.7 | 0 | 0 | 0 | 112.2 | F564 A565 S570 I597 W601 L604 L1198 M1202 N1205 | F564-L567 PolarHBondContact O-N 2.88Å; F564-L567 VanDerWaalsContact O-N 3.09Å; A565-L567 VanDerWaalsContact C-N 3.3Å; A565-L567 PolarHBondContact O-N 2.92Å; L567-S570 WeakPolarHBondContact O-CB 3.34Å; L567-S570 PolarHBondContact O-N 3.31Å; L567-S570 PolarHBondContact O-OG 2.91Å; L567-I597 HydrophobicContact CD1-CG2 3.87Å; L567-I597 HydrophobicContact CG-CG2 3.9Å; L567-W601 HydrophobicContact CD2-CB 3.85Å; L567-L604 HydrophobicContact CD2-CD2 4.44Å; L567-L1198 HydrophobicContact CD1-CD1 3.3Å; L567-L1198 VanDerWaalsContact CD1-CD1 3.41Å; L567-M1202 HydrophobicContact CD1-CE 4.45Å; L567-M1202 HydrophobicContact CD2-CE 4.45Å; L567-N1205 PolarHBondContact O-ND2 2.92Å |
| 568 | D | 86.6 | Confident | 77.3 | Confident | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.2 | -38.8 | -178.6 | -161 | -2.7 | 0 | 0 | 0 | 112.9 | N492 R527 Y530 F564 A565 S570 L1201 R1204 | N492-D568 PolarHBondContact ND2-OD2 2.88Å; N492-D568 PolarHBondContact OD1-OD2 3.11Å; R527-D568 IonicContact CZ-OD1 3.43Å; R527-D568 VanDerWaalsContact CZ-OD1 3.29Å; R527-D568 IonicContact CZ-OD2 3.39Å; R527-D568 VanDerWaalsContact NH1-CG 3.27Å; R527-D568 IonicContact NH1-OD1 2.92Å; R527-D568 PolarHBondContact NH1-OD1 2.91Å; R527-D568 VanDerWaalsContact NH1-OD1 3.08Å; R527-D568 IonicContact NH1-OD2 2.66Å; R527-D568 PolarHBondContact NH1-OD2 3.35Å; R527-D568 IonicContact NH2-OD1 2.71Å; R527-D568 PolarHBondContact NH2-OD1 3.36Å; R527-D568 IonicContact NH2-OD2 3.17Å; Y530-D568 VanDerWaalsContact CE1-OD2 3.27Å; Y530-D568 WeakPolarHBondContact CE1-OD2 3.42Å; F564-D568 PolarHBondContact O-N 3.23Å; A565-D568 PolarHBondContact O-N 2.79Å; A565-D568 VanDerWaalsContact O-N 3.13Å; D568-S570 VanDerWaalsContact C-N 3.35Å; D568-L1201 HydrophobicContact CB-CD2 3.67Å; D568-R1204 IonicContact OD1-NH1 2.81Å; D568-R1204 PolarHBondContact OD1-NH1 3.01Å; D568-R1204 VanDerWaalsContact OD1-NH1 3.15Å |
| 569 | V | 78.7 | Confident | 75.2 | Confident | 1.5 Ų | 1.5 | 36.2 Ų | 36.2 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -91.9 | -5.9 | 178.1 | -113.6 | 0 | 0 | 0 | 0 | 112.3 | F456 F531 I534 A565 L571 L572 I573 L586 | F456-V569 HydrophobicContact CD2-CG2 4.28Å; F456-V569 HydrophobicContact CE1-CG2 4.36Å; F456-V569 HydrophobicContact CE2-CB 4.17Å; F456-V569 HydrophobicContact CE2-CG1 3.92Å; F456-V569 HydrophobicContact CE2-CG2 4.1Å; F456-V569 HydrophobicContact CG-CG2 4.5Å; F456-V569 HydrophobicContact CZ-CB 4.16Å; F456-V569 HydrophobicContact CZ-CG1 4.21Å; F456-V569 HydrophobicContact CZ-CG2 4.13Å; F531-V569 HydrophobicContact CD2-CG1 4.19Å; F531-V569 HydrophobicContact CE1-CG1 4.32Å; F531-V569 HydrophobicContact CE1-CG2 4.03Å; F531-V569 HydrophobicContact CE2-CG1 3.72Å; F531-V569 HydrophobicContact CZ-CG2 3.8Å; I534-V569 HydrophobicContact CD1-CG2 4.37Å; A565-V569 WeakPolarHBondContact O-CB 3.45Å; A565-V569 VanDerWaalsContact O-CG2 3.27Å; A565-V569 WeakPolarHBondContact O-CG2 3.48Å; A565-V569 PolarHBondContact O-N 2.85Å; V569-L571 VanDerWaalsContact C-N 3.29Å; V569-L571 PolarHBondContact O-N 3.27Å; V569-L571 VanDerWaalsContact O-N 3.12Å; V569-L572 HydrophobicContact CB-CD1 4.44Å; V569-L572 HydrophobicContact CG1-CD1 4.08Å; V569-L572 CarbonylContact O-C 3.46Å; V569-L572 WeakPolarHBondContact O-CA 3.36Å; V569-L572 WeakPolarHBondContact O-CB 3.34Å; V569-L572 PolarHBondContact O-N 3.39Å; V569-I573 HydrophobicContact CG2-CD1 3.65Å; V569-I573 HydrophobicContact CG2-CG1 4.16Å; V569-I573 PolarHBondContact O-N 3.23Å; V569-L586 HydrophobicContact CG2-CD2 4.31Å |
| 570 | S | 73.7 | Confident | 73.3 | Confident | 0.5 Ų | 0.5 | 42.7 Ų | 42.7 | 0% | 0.003 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -52.6 | -39.3 | -171.1 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | L566 L567 D568 L572 I573 W601 L604 Q605 | L566-S570 WeakPolarHBondContact O-CA 3.35Å; L566-S570 WeakPolarHBondContact O-CB 3.37Å; L566-S570 PolarHBondContact O-N 3.09Å; L567-S570 WeakPolarHBondContact O-CB 3.34Å; L567-S570 PolarHBondContact O-N 3.31Å; L567-S570 PolarHBondContact O-OG 2.91Å; D568-S570 VanDerWaalsContact C-N 3.35Å; S570-L572 VanDerWaalsContact C-N 3.31Å; S570-L572 PolarHBondContact O-N 3Å; S570-I573 PolarHBondContact O-N 2.77Å; S570-W601 VanDerWaalsContact CB-CD1 3.49Å; S570-L604 WeakPolarHBondContact OG-CD2 3.47Å; S570-Q605 PolarHBondContact O-NE2 2.87Å; S570-Q605 VanDerWaalsContact O-NE2 3.1Å |
| 571 | L | 70.2 | Confident | 71.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -83.6 | -9.2 | -176.3 | -57 | 178.3 | 0 | 0 | 0 | 113.6 | V569 I573 L604 N1205 F1208 I1209 F1212 | V569-L571 VanDerWaalsContact C-N 3.29Å; V569-L571 PolarHBondContact O-N 3.27Å; V569-L571 VanDerWaalsContact O-N 3.12Å; L571-I573 PolarHBondContact O-N 3Å; L571-L604 HydrophobicContact CD2-CD2 4.36Å; L571-N1205 HydrophobicContact CD1-CB 3.67Å; L571-N1205 VanDerWaalsContact CD1-OD1 3.28Å; L571-N1205 WeakPolarHBondContact CD1-OD1 3.44Å; L571-F1208 HydrophobicContact CD1-CB 3.6Å; L571-F1208 HydrophobicContact CD1-CD2 4.11Å; L571-F1208 HydrophobicContact CD1-CG 4.4Å; L571-I1209 HydrophobicContact CD1-CD1 4.4Å; L571-I1209 HydrophobicContact CD1-CG1 3.84Å; L571-I1209 HydrophobicContact CD2-CD1 3.94Å; L571-I1209 HydrophobicContact CD2-CG1 3.59Å; L571-I1209 HydrophobicContact CG-CG1 4.4Å; L571-F1212 HydrophobicContact CB-CE2 3.98Å |
| 572 | L | 67.9 | Low | 69.6 | Low | 5.5 Ų | 5.5 | 51.1 Ų | 51.1 | 3% | 0.029 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -83.2 | -4.7 | 171.3 | -57.7 | 168.5 | 0 | 0 | 0 | 111.5 | M449 V452 F531 V569 S570 L1270 H1274 | M449-L572 HydrophobicContact CE-CB 3.66Å; M449-L572 HydrophobicContact CE-CD2 3.96Å; M449-L572 HydrophobicContact CE-CG 4.45Å; M449-L572 WeakPolarHBondContact CE-O 3.38Å; V452-L572 HydrophobicContact CG1-CB 3.74Å; V452-L572 WeakPolarHBondContact CG1-O 3.41Å; F531-L572 HydrophobicContact CE1-CD1 3.47Å; F531-L572 VanDerWaalsContact CE1-CD1 3.47Å; F531-L572 HydrophobicContact CE2-CD1 3.82Å; F531-L572 HydrophobicContact CZ-CD1 3.97Å; V569-L572 HydrophobicContact CB-CD1 4.44Å; V569-L572 HydrophobicContact CG1-CD1 4.08Å; V569-L572 CarbonylContact O-C 3.46Å; V569-L572 WeakPolarHBondContact O-CA 3.36Å; V569-L572 WeakPolarHBondContact O-CB 3.34Å; V569-L572 PolarHBondContact O-N 3.39Å; S570-L572 VanDerWaalsContact C-N 3.31Å; S570-L572 PolarHBondContact O-N 3Å; L572-L1270 HydrophobicContact CD2-CD1 3.8Å; L572-H1274 HydrophobicContact CD2-CB 4.07Å |
| 573 | I | 63.4 | Low | 68.4 | Low | 7.5 Ų | 7.5 | 55.4 Ų | 55.4 | 4% | 0.038 | 30% | 0.296 | C | S | . | . | trans | -118.1 | 126.8 | -177.6 | -53 | 171.8 | 0 | 0 | 0 | 106.8 | V452 F456 L457 L566 V569 S570 L571 P575 W601 | V452-I573 HydrophobicContact CB-CD1 4.12Å; V452-I573 HydrophobicContact CB-CG1 3.97Å; V452-I573 HydrophobicContact CG1-CB 3.96Å; V452-I573 HydrophobicContact CG1-CD1 3.46Å; V452-I573 VanDerWaalsContact CG1-CD1 3.46Å; V452-I573 HydrophobicContact CG1-CG1 3.37Å; V452-I573 HydrophobicContact CG1-CG2 3.42Å; V452-I573 VanDerWaalsContact CG1-CG2 3.42Å; V452-I573 HydrophobicContact CG2-CD1 3.95Å; V452-I573 HydrophobicContact CG2-CG1 3.51Å; F456-I573 HydrophobicContact CB-CD1 3.93Å; F456-I573 HydrophobicContact CB-CG1 3.99Å; F456-I573 HydrophobicContact CD1-CD1 3.79Å; F456-I573 HydrophobicContact CD2-CD1 2.95Å; F456-I573 HydrophobicContact CD2-CG1 4.44Å; F456-I573 HydrophobicContact CE1-CD1 3.93Å; F456-I573 HydrophobicContact CE2-CD1 3.15Å; F456-I573 HydrophobicContact CG-CD1 3.76Å; F456-I573 HydrophobicContact CG-CG1 4.42Å; F456-I573 HydrophobicContact CZ-CD1 3.64Å; L457-I573 HydrophobicContact CD1-CG2 4.3Å; L457-I573 HydrophobicContact CD2-CG2 3.76Å; L457-I573 HydrophobicContact CG-CG2 4.15Å; L566-I573 HydrophobicContact CD1-CD1 3.99Å; V569-I573 HydrophobicContact CG2-CD1 3.65Å; V569-I573 HydrophobicContact CG2-CG1 4.16Å; V569-I573 PolarHBondContact O-N 3.23Å; S570-I573 PolarHBondContact O-N 2.77Å; L571-I573 PolarHBondContact O-N 3Å; I573-P575 HydrophobicContact CG2-CB 4.4Å; I573-P575 WeakPolarHBondContact O-CD 3.32Å; I573-W601 HydrophobicContact CG2-CZ2 4.48Å | ||
| 574 | N | 60.3 | Low | 67.7 | Low | 109 Ų | 109 | 57.8 Ų | 57.8 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | trans | -99.2 | 87.4 | 163.8 | -122.9 | -0 | 0 | 0 | 0 | 107.3 | N453 E576 Q608 | N453-N574 PolarHBondContact ND2-O 3.12Å; N453-N574 PolarHBondContact OD1-N 2.7Å; N574-E576 VanDerWaalsContact C-N 3.35Å; N574-E576 PolarHBondContact O-N 3.08Å; N574-Q608 PolarHBondContact OD1-NE2 3.06Å | ||
| 575 | P | 56.3 | Low | 67.3 | Low | 35.5 Ų | 35.5 | 57.3 Ų | 57.3 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -70.3 | 110.2 | 171.4 | 29.8 | -30.2 | 0 | 0 | 0 | 105.9 | I573 P577 W601 | I573-P575 HydrophobicContact CG2-CB 4.4Å; I573-P575 WeakPolarHBondContact O-CD 3.32Å; P575-P577 WeakPolarHBondContact O-CD 3.41Å; P575-P577 VanDerWaalsContact O-N 3.11Å; P575-W601 HydrophobicContact CB-CH2 4.31Å; P575-W601 HydrophobicContact CG-CH2 3.88Å; P575-W601 HydrophobicContact CG-CZ2 4.05Å | ||
| 576 | E | 51.5 | Low | 67.2 | Low | 161 Ų | 161 | 57.3 Ų | 57.3 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | trans | -65 | 113.4 | 155.1 | -73.9 | -168.6 | 167.8 | 0 | 0 | 105.5 | N574 T578 | N574-E576 VanDerWaalsContact C-N 3.35Å; N574-E576 PolarHBondContact O-N 3.08Å; E576-T578 HydrophobicContact CB-CG2 4.26Å; E576-T578 PolarHBondContact O-N 2.98Å | ||
| 577 | P | 48.6 | Very low | 67.2 | Low | 115 Ų | 115 | 57.7 Ų | 57.7 | 75% | 0.747 | 31% | 0.309 | S | S | * | . | trans | -71.5 | 81 | 178.7 | 30.5 | -31.9 | 0 | 0 | 0 | 107.6 | P575 N579 | P575-P577 WeakPolarHBondContact O-CD 3.41Å; P575-P577 VanDerWaalsContact O-N 3.11Å; P577-N579 VanDerWaalsContact C-N 3.31Å; P577-N579 PolarHBondContact O-N 3.38Å | ||
| 578 | T | 47.4 | Very low | 67.1 | Low | 96.5 Ų | 96.5 | 58 Ų | 58 | 59% | 0.592 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -69.8 | 31.5 | 175.2 | 51.9 | 0 | 0 | 0 | 0 | 108.9 | E576 | E576-T578 HydrophobicContact CB-CG2 4.26Å; E576-T578 PolarHBondContact O-N 2.98Å |
| 579 | N | 50.3 | Low | 67.4 | Low | 107.5 Ų | 107.5 | 57.7 Ų | 57.7 | 58% | 0.575 | 31% | 0.31 | S | S | * | . | trans | 130.3 | 120.2 | 176.2 | -67.7 | -44.8 | 0 | 0 | 0 | 113.4 | P577 S581 Q582 | P577-N579 VanDerWaalsContact C-N 3.31Å; P577-N579 PolarHBondContact O-N 3.38Å; N579-S581 PolarHBondContact O-N 3.14Å; N579-Q582 PolarHBondContact O-N 3.02Å; N579-Q582 VanDerWaalsContact O-N 3.14Å | ||
| 580 | E | 53.3 | Low | 68.1 | Low | 172.5 Ų | 172.5 | 57.6 Ų | 57.6 | 81% | 0.806 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.5 | 173.5 | -69.4 | -170.8 | 156.5 | 0 | 0 | 113.9 | ||
| 581 | S | 49.6 | Very low | 68.9 | Low | 102 Ų | 102 | 58 Ų | 58 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -23.4 | -177.4 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | N579 | N579-S581 PolarHBondContact O-N 3.14Š|
| 582 | Q | 56.6 | Low | 69.9 | Low | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | trans | -108.9 | 90.8 | -179.6 | -73 | -175.3 | -12.7 | 0 | 0 | 110.2 | N579 I584 | N579-Q582 PolarHBondContact O-N 3.02Å; N579-Q582 VanDerWaalsContact O-N 3.14Å; Q582-I584 HydrophobicContact CB-CD1 4.47Å; Q582-I584 HydrophobicContact CB-CG1 4.44Å; Q582-I584 PolarHBondContact O-N 3.12Å | ||
| 583 | K | 68.3 | Low | 71.2 | Confident | 91.5 Ų | 91.5 | 61.8 Ų | 61.8 | 40% | 0.398 | 33% | 0.332 | S | S | . | . | trans | -70.8 | 117.7 | 169.1 | -56.3 | 177 | -177.8 | 172.1 | 0 | 108 | A588 A591 | K583-A588 HydrophobicContact CB-CB 3.75Å; K583-A588 VanDerWaalsContact O-CB 3.3Å; K583-A588 WeakPolarHBondContact O-CB 3.22Å; K583-A591 HydrophobicContact CD-CB 3.76Å | ||
| 584 | I | 78.6 | Confident | 72.6 | Confident | 49.5 Ų | 49.5 | 63.6 Ų | 63.6 | 25% | 0.254 | 34% | 0.341 | S | S | . | . | trans | -115.6 | 150.5 | -178.9 | -59.3 | 169.8 | 0 | 0 | 0 | 109 | F456 L457 I458 V459 Q582 P587 | F456-I584 CarbonylContact O-C 3.59Å; L457-I584 VanDerWaalsContact C-CG2 3.46Å; L457-I584 HydrophobicContact CB-CG2 4.12Å; L457-I584 WeakPolarHBondContact O-CG2 3.37Å; I458-I584 VanDerWaalsContact O-CG2 3.31Å; I458-I584 WeakPolarHBondContact O-CG2 3.45Å; V459-I584 HydrophobicContact CG2-CG2 4.37Å; Q582-I584 HydrophobicContact CB-CD1 4.47Å; Q582-I584 HydrophobicContact CB-CG1 4.44Å; Q582-I584 PolarHBondContact O-N 3.12Å; I584-P587 VanDerWaalsContact O-CD 3.3Å; I584-P587 WeakPolarHBondContact O-CD 3.08Å | ||
| 585 | G | 83.3 | Confident | 74 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | 65 | -152.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V455 F456 I458 F538 P587 A588 Y589 | V455-G585 CarbonylContact O-C 3.59Å; V455-G585 WeakPolarHBondContact O-CA 3.37Å; F456-G585 CarbonylContact O-C 3.53Å; F456-G585 WeakPolarHBondContact O-CA 3.27Å; F456-G585 PolarHBondContact O-N 2.99Å; I458-G585 VanDerWaalsContact O-CA 3.27Å; I458-G585 WeakPolarHBondContact O-CA 3.35Å; I458-G585 PolarHBondContact O-N 3.43Å; F538-G585 VanDerWaalsContact CZ-C 3.48Å; G585-P587 VanDerWaalsContact C-CD 3.46Å; G585-P587 VanDerWaalsContact C-N 3.33Å; G585-A588 WeakPolarHBondContact O-CA 3.42Å; G585-A588 VanDerWaalsContact O-CB 3.27Å; G585-A588 WeakPolarHBondContact O-CB 3.45Å; G585-A588 PolarHBondContact O-N 3.24Å; G585-Y589 WeakPolarHBondContact O-CD2 3.25Å; G585-Y589 PolarHBondContact O-N 3.48Å |
| 586 | L | 88.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -53.5 | -41.2 | 179.8 | -178.1 | 65.6 | 0 | 0 | 0 | 112.9 | V455 F456 F538 L562 A565 L566 V569 A588 Y589 V590 | V455-L586 HydrophobicContact CG1-CB 3.67Å; V455-L586 HydrophobicContact CG1-CD2 3.7Å; V455-L586 HydrophobicContact CG1-CG 4.28Å; V455-L586 WeakPolarHBondContact O-CB 3.34Å; V455-L586 PolarHBondContact O-N 2.87Å; F456-L586 HydrophobicContact CB-CB 4.49Å; F456-L586 HydrophobicContact CD1-CB 4.05Å; F456-L586 HydrophobicContact CD1-CD2 3.76Å; F456-L586 HydrophobicContact CD1-CG 4.49Å; F456-L586 HydrophobicContact CE1-CD2 4.01Å; F456-L586 PolarHBondContact O-N 2.86Å; F538-L586 HydrophobicContact CD2-CD1 3.71Å; F538-L586 HydrophobicContact CE1-CB 4.18Å; F538-L586 HydrophobicContact CE2-CB 4.08Å; F538-L586 HydrophobicContact CE2-CD1 3.73Å; F538-L586 HydrophobicContact CG-CD1 4.4Å; F538-L586 VanDerWaalsContact CZ-CA 3.5Å; F538-L586 HydrophobicContact CZ-CB 3.92Å; F538-L586 HydrophobicContact CZ-CD1 4.43Å; L562-L586 HydrophobicContact CB-CD1 4.2Å; L562-L586 HydrophobicContact CD2-CD1 4.36Å; A565-L586 HydrophobicContact CB-CD2 4.38Å; L566-L586 HydrophobicContact CB-CD2 4.1Å; L566-L586 HydrophobicContact CB-CG 4.39Å; L566-L586 HydrophobicContact CD1-CD2 4.39Å; L566-L586 HydrophobicContact CD1-CG 4.43Å; V569-L586 HydrophobicContact CG2-CD2 4.31Å; L586-A588 PolarHBondContact O-N 3.31Å; L586-Y589 PolarHBondContact O-N 2.93Å; L586-V590 HydrophobicContact CD1-CG2 3.88Å; L586-V590 HydrophobicContact CG-CG2 4.03Å; L586-V590 WeakPolarHBondContact O-CG2 3.26Å; L586-V590 PolarHBondContact O-N 3.33Å |
| 587 | P | 89 | Confident | 77.5 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.6 | -36.3 | 172.1 | -26.8 | 31.9 | 0 | 0 | 0 | 114.4 | F456 L566 I584 G585 A591 Y598 W601 | F456-P587 HydrophobicContact CD1-CG 3.79Å; F456-P587 HydrophobicContact CE1-CG 4.07Å; L566-P587 HydrophobicContact CD1-CG 3.85Å; I584-P587 VanDerWaalsContact O-CD 3.3Å; I584-P587 WeakPolarHBondContact O-CD 3.08Å; G585-P587 VanDerWaalsContact C-CD 3.46Å; G585-P587 VanDerWaalsContact C-N 3.33Å; P587-A591 VanDerWaalsContact O-CB 3.31Å; P587-A591 WeakPolarHBondContact O-CB 3.48Å; P587-A591 PolarHBondContact O-N 2.78Å; P587-Y598 HydrophobicContact CB-CD2 4.45Å; P587-Y598 HydrophobicContact CB-CE2 4.1Å; P587-Y598 WeakPolarHBondContact O-CD2 3.21Å; P587-W601 HydrophobicContact CB-CE3 4.49Å; P587-W601 HydrophobicContact CB-CH2 4.04Å; P587-W601 HydrophobicContact CB-CZ3 3.98Å; P587-W601 HydrophobicContact CG-CH2 3.77Å; P587-W601 HydrophobicContact CG-CZ2 4.02Å; P587-W601 HydrophobicContact CG-CZ3 4.19Å |
| 588 | A | 88 | Confident | 79.5 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 7% | 0.066 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P460 K583 G585 L586 | P460-A588 HydrophobicContact CG-CB 4.02Å; K583-A588 HydrophobicContact CB-CB 3.75Å; K583-A588 VanDerWaalsContact O-CB 3.3Å; K583-A588 WeakPolarHBondContact O-CB 3.22Å; G585-A588 WeakPolarHBondContact O-CA 3.42Å; G585-A588 VanDerWaalsContact O-CB 3.27Å; G585-A588 WeakPolarHBondContact O-CB 3.45Å; G585-A588 PolarHBondContact O-N 3.24Å; L586-A588 PolarHBondContact O-N 3.31Å |
| 589 | Y | 92.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.8 | -45.1 | 177.3 | -70.8 | -96.9 | 0 | 0 | 0 | 111 | P460 P461 F538 I541 S542 F545 P547 A550 G585 L586 A591 L592 F593 | P460-Y589 HydrophobicContact CB-CE2 4.35Å; P460-Y589 HydrophobicContact CG-CE2 4.34Å; P461-Y589 WeakPolarHBondContact CD-OH 3.05Å; F538-Y589 AromaticContact CE2-CD2 3.61Å; F538-Y589 HydrophobicContact CE2-CD2 3.61Å; F538-Y589 HydrophobicContact CE2-CE2 4.05Å; F538-Y589 HydrophobicContact CE2-CG 4.04Å; F538-Y589 AromaticContact CZ-CD2 3.75Å; F538-Y589 HydrophobicContact CZ-CD2 3.75Å; F538-Y589 AromaticContact CZ-CE2 3.96Å; F538-Y589 HydrophobicContact CZ-CE2 3.96Å; I541-Y589 HydrophobicContact CG2-CD1 4.31Å; I541-Y589 HydrophobicContact CG2-CE1 4.08Å; S542-Y589 WeakPolarHBondContact CA-OH 3.48Å; F545-Y589 PolarHBondContact O-OH 3.15Å; P547-Y589 HydrophobicContact CB-CD1 4.19Å; P547-Y589 HydrophobicContact CB-CE1 4.29Å; P547-Y589 HydrophobicContact CB-CG 4.46Å; P547-Y589 HydrophobicContact CG-CD1 4.41Å; P547-Y589 HydrophobicContact CG-CD2 4.44Å; P547-Y589 HydrophobicContact CG-CE1 4.16Å; P547-Y589 HydrophobicContact CG-CE2 4.19Å; A550-Y589 HydrophobicContact CB-CD1 3.78Å; A550-Y589 HydrophobicContact CB-CE1 3.78Å; G585-Y589 WeakPolarHBondContact O-CD2 3.25Å; G585-Y589 PolarHBondContact O-N 3.48Å; L586-Y589 PolarHBondContact O-N 2.93Å; Y589-A591 VanDerWaalsContact C-N 3.29Å; Y589-A591 PolarHBondContact O-N 3.45Å; Y589-L592 PolarHBondContact O-N 3.31Å; Y589-F593 HydrophobicContact CD1-CE1 4.5Å; Y589-F593 AromaticContact CD1-CZ 3.93Å; Y589-F593 HydrophobicContact CD1-CZ 3.93Å; Y589-F593 HydrophobicContact CG-CZ 4.37Å; Y589-F593 WeakPolarHBondContact O-CD1 3.34Å; Y589-F593 VanDerWaalsContact O-CG 3.25Å; Y589-F593 WeakPolarHBondContact O-CG 3.11Å; Y589-F593 PolarHBondContact O-N 2.91Å |
| 590 | V | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -31.7 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 112 | L566 L586 L592 F593 N594 I597 | L566-V590 HydrophobicContact CB-CG1 4.47Å; L566-V590 HydrophobicContact CB-CG2 4.13Å; L566-V590 HydrophobicContact CD2-CB 3.83Å; L566-V590 HydrophobicContact CD2-CG1 3.63Å; L566-V590 HydrophobicContact CD2-CG2 4.23Å; L586-V590 HydrophobicContact CD1-CG2 3.88Å; L586-V590 HydrophobicContact CG-CG2 4.03Å; L586-V590 WeakPolarHBondContact O-CG2 3.26Å; L586-V590 PolarHBondContact O-N 3.33Å; V590-L592 PolarHBondContact O-N 2.87Å; V590-F593 PolarHBondContact O-N 3.13Å; V590-N594 CarbonylContact O-C 3.46Å; V590-N594 VanDerWaalsContact O-C 3.3Å; V590-N594 PolarHBondContact O-N 2.9Å; V590-I597 HydrophobicContact CG1-CB 4.48Å; V590-I597 HydrophobicContact CG1-CG2 4.19Å |
| 591 | A | 91 | Very high | 85 | Confident | 7.5 Ų | 7.5 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -29.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K583 P587 Y589 Y598 | K583-A591 HydrophobicContact CD-CB 3.76Å; P587-A591 VanDerWaalsContact O-CB 3.31Å; P587-A591 WeakPolarHBondContact O-CB 3.48Å; P587-A591 PolarHBondContact O-N 2.78Å; Y589-A591 VanDerWaalsContact C-N 3.29Å; Y589-A591 PolarHBondContact O-N 3.45Å; A591-Y598 HydrophobicContact CB-CD1 4.13Å; A591-Y598 HydrophobicContact CB-CD2 3.8Å; A591-Y598 HydrophobicContact CB-CE1 4.36Å; A591-Y598 HydrophobicContact CB-CE2 4.04Å; A591-Y598 HydrophobicContact CB-CG 3.84Å |
| 592 | L | 91.9 | Very high | 86.9 | Confident | 71 Ų | 71 | 38 Ų | 38 | 37% | 0.372 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -90.3 | -36.9 | 173.7 | -67.6 | -178.1 | 0 | 0 | 0 | 112.5 | P547 E548 L551 Y589 V590 | P547-L592 VanDerWaalsContact C-CD1 3.46Å; P547-L592 HydrophobicContact CB-CD1 3.52Å; P547-L592 WeakPolarHBondContact O-CD1 3Å; E548-L592 HydrophobicContact CG-CD1 4.25Å; L551-L592 WeakPolarHBondContact CD1-O 3.42Å; L551-L592 HydrophobicContact CD2-CB 4.33Å; Y589-L592 PolarHBondContact O-N 3.31Å; V590-L592 PolarHBondContact O-N 2.87Å |
| 593 | F | 93.9 | Very high | 88.4 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -46.4 | -179.1 | -62.5 | -11.2 | 0 | 0 | 0 | 112.5 | A550 L551 L554 K559 L562 Y589 V590 | A550-F593 HydrophobicContact CB-CE1 4.09Å; A550-F593 HydrophobicContact CB-CZ 4.04Å; L551-F593 HydrophobicContact CB-CD1 4.37Å; L551-F593 HydrophobicContact CB-CE1 4.35Å; L551-F593 HydrophobicContact CD1-CD1 4.01Å; L554-F593 HydrophobicContact CD1-CE1 4.36Å; L554-F593 HydrophobicContact CD1-CE2 4.33Å; L554-F593 HydrophobicContact CD1-CZ 3.67Å; K559-F593 HydrophobicContact CB-CB 4.09Å; K559-F593 HydrophobicContact CB-CD1 4.48Å; K559-F593 HydrophobicContact CB-CD2 4.06Å; K559-F593 HydrophobicContact CB-CG 3.96Å; K559-F593 HydrophobicContact CD-CB 4.48Å; K559-F593 HydrophobicContact CD-CD1 3.74Å; K559-F593 HydrophobicContact CD-CE1 4.13Å; K559-F593 HydrophobicContact CD-CG 4.09Å; K559-F593 HydrophobicContact CG-CB 4.4Å; K559-F593 HydrophobicContact CG-CD1 3.87Å; K559-F593 HydrophobicContact CG-CD2 4.01Å; K559-F593 HydrophobicContact CG-CE1 4.11Å; K559-F593 HydrophobicContact CG-CE2 4.22Å; K559-F593 HydrophobicContact CG-CG 3.83Å; K559-F593 HydrophobicContact CG-CZ 4.27Å; L562-F593 HydrophobicContact CB-CD2 4.46Å; L562-F593 HydrophobicContact CB-CE2 4.41Å; L562-F593 HydrophobicContact CD1-CE2 3.95Å; Y589-F593 HydrophobicContact CD1-CE1 4.5Å; Y589-F593 AromaticContact CD1-CZ 3.93Å; Y589-F593 HydrophobicContact CD1-CZ 3.93Å; Y589-F593 HydrophobicContact CG-CZ 4.37Å; Y589-F593 WeakPolarHBondContact O-CD1 3.34Å; Y589-F593 VanDerWaalsContact O-CG 3.25Å; Y589-F593 WeakPolarHBondContact O-CG 3.11Å; Y589-F593 PolarHBondContact O-N 2.91Å; V590-F593 PolarHBondContact O-N 3.13Å |
| 594 | N | 92.6 | Very high | 89.4 | Confident | 44.5 Ų | 44.5 | 29 Ų | 29 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | trans | -154.4 | 93.9 | -178.5 | -169.7 | -38 | 0 | 0 | 0 | 110.5 | V590 T596 I597 Y598 | V590-N594 CarbonylContact O-C 3.46Å; V590-N594 VanDerWaalsContact O-C 3.3Å; V590-N594 PolarHBondContact O-N 2.9Å; N594-T596 VanDerWaalsContact C-N 3.25Å; N594-T596 PolarHBondContact O-N 3.37Å; N594-T596 WeakPolarHBondContact OD1-CB 3.3Å; N594-T596 PolarHBondContact OD1-N 2.91Å; N594-T596 VanDerWaalsContact OD1-N 3.16Å; N594-I597 HydrophobicContact CB-CB 4.25Å; N594-I597 HydrophobicContact CB-CD1 4.17Å; N594-I597 HydrophobicContact CB-CG1 4.35Å; N594-I597 WeakPolarHBondContact ND2-CD1 3.33Å; N594-I597 PolarHBondContact O-N 3.22Å; N594-I597 PolarHBondContact OD1-N 3.07Å; N594-Y598 PolarHBondContact O-N 3.2Å; N594-Y598 VanDerWaalsContact O-N 3.13Å | ||
| 595 | F | 91.2 | Very high | 89.8 | Confident | 129 Ų | 129 | 27.6 Ų | 27.6 | 57% | 0.566 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -60.8 | -31.8 | -179.2 | -173.7 | -99.9 | 0 | 0 | 0 | 113.3 | Y598 S599 | F595-Y598 HydrophobicContact CD2-CD1 4.22Å; F595-Y598 HydrophobicContact CE2-CD1 4.12Å; F595-Y598 HydrophobicContact CE2-CE1 4.48Å; F595-Y598 WeakPolarHBondContact O-CB 3.49Å; F595-Y598 PolarHBondContact O-N 3.42Å; F595-S599 PolarHBondContact O-N 3.26Å; F595-S599 PolarHBondContact O-OG 3.23Å |
| 596 | T | 90.8 | Very high | 90 | Very high | 90.5 Ų | 90.5 | 30.8 Ų | 30.8 | 56% | 0.555 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -66.4 | -40.4 | 178.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | N594 S599 N600 | N594-T596 VanDerWaalsContact C-N 3.25Å; N594-T596 PolarHBondContact O-N 3.37Å; N594-T596 WeakPolarHBondContact OD1-CB 3.3Å; N594-T596 PolarHBondContact OD1-N 2.91Å; N594-T596 VanDerWaalsContact OD1-N 3.16Å; T596-S599 WeakPolarHBondContact CA-OG 3.46Å; T596-S599 PolarHBondContact O-N 3.1Å; T596-S599 PolarHBondContact O-OG 3.36Å; T596-N600 WeakPolarHBondContact O-CB 3.37Å; T596-N600 PolarHBondContact O-N 3.36Å; T596-N600 VanDerWaalsContact O-N 3.08Å; T596-N600 PolarHBondContact O-ND2 3.07Å; T596-N600 VanDerWaalsContact O-ND2 3.15Å |
| 597 | I | 90.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -41 | 175.4 | -69.9 | 174.8 | 0 | 0 | 0 | 110.3 | S563 F564 L567 V590 N594 S599 N600 W601 L1198 | S563-I597 VanDerWaalsContact O-CG2 3.31Å; S563-I597 WeakPolarHBondContact O-CG2 3.37Å; F564-I597 HydrophobicContact CD1-CD1 3.91Å; F564-I597 HydrophobicContact CE1-CD1 3.78Å; L567-I597 HydrophobicContact CD1-CG2 3.87Å; L567-I597 HydrophobicContact CG-CG2 3.9Å; V590-I597 HydrophobicContact CG1-CB 4.48Å; V590-I597 HydrophobicContact CG1-CG2 4.19Å; N594-I597 HydrophobicContact CB-CB 4.25Å; N594-I597 HydrophobicContact CB-CD1 4.17Å; N594-I597 HydrophobicContact CB-CG1 4.35Å; N594-I597 WeakPolarHBondContact ND2-CD1 3.33Å; N594-I597 PolarHBondContact O-N 3.22Å; N594-I597 PolarHBondContact OD1-N 3.07Å; I597-S599 PolarHBondContact O-N 3.35Å; I597-N600 PolarHBondContact O-N 3.39Å; I597-W601 WeakPolarHBondContact O-CB 3.42Å; I597-W601 PolarHBondContact O-N 3.27Å; I597-L1198 HydrophobicContact CD1-CD1 4.47Å; I597-L1198 HydrophobicContact CG1-CD1 4.32Å |
| 598 | Y | 90.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -45 | 174.9 | 175 | -98.3 | 0 | 0 | 0 | 112.5 | P587 A591 N594 F595 N600 W601 L602 | P587-Y598 HydrophobicContact CB-CD2 4.45Å; P587-Y598 HydrophobicContact CB-CE2 4.1Å; P587-Y598 WeakPolarHBondContact O-CD2 3.21Å; A591-Y598 HydrophobicContact CB-CD1 4.13Å; A591-Y598 HydrophobicContact CB-CD2 3.8Å; A591-Y598 HydrophobicContact CB-CE1 4.36Å; A591-Y598 HydrophobicContact CB-CE2 4.04Å; A591-Y598 HydrophobicContact CB-CG 3.84Å; N594-Y598 PolarHBondContact O-N 3.2Å; N594-Y598 VanDerWaalsContact O-N 3.13Å; F595-Y598 HydrophobicContact CD2-CD1 4.22Å; F595-Y598 HydrophobicContact CE2-CD1 4.12Å; F595-Y598 HydrophobicContact CE2-CE1 4.48Å; F595-Y598 WeakPolarHBondContact O-CB 3.49Å; F595-Y598 PolarHBondContact O-N 3.42Å; Y598-N600 VanDerWaalsContact C-N 3.33Å; Y598-N600 PolarHBondContact O-N 2.83Å; Y598-W601 HydrophobicContact CD2-CE3 4.19Å; Y598-W601 HydrophobicContact CD2-CZ3 4.46Å; Y598-W601 HydrophobicContact CE2-CE3 4.09Å; Y598-W601 AromaticContact CE2-CZ3 3.91Å; Y598-W601 HydrophobicContact CE2-CZ3 4Å; Y598-W601 WeakPolarHBondContact O-CB 3.34Å; Y598-W601 PolarHBondContact O-N 3.32Å; Y598-L602 HydrophobicContact CD1-CD1 4.08Å; Y598-L602 HydrophobicContact CE1-CD1 3.41Å; Y598-L602 VanDerWaalsContact CE1-CD1 3.43Å; Y598-L602 HydrophobicContact CE1-CG 4.11Å; Y598-L602 PolarHBondContact O-N 2.91Å |
| 599 | S | 88.5 | Confident | 90.3 | Very high | 36.5 Ų | 36.5 | 34.7 Ų | 34.7 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65 | -38.7 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 112 | F595 T596 I597 W601 L602 L603 | F595-S599 PolarHBondContact O-N 3.26Å; F595-S599 PolarHBondContact O-OG 3.23Å; T596-S599 WeakPolarHBondContact CA-OG 3.46Å; T596-S599 PolarHBondContact O-N 3.1Å; T596-S599 PolarHBondContact O-OG 3.36Å; I597-S599 PolarHBondContact O-N 3.35Å; S599-W601 VanDerWaalsContact C-N 3.33Å; S599-L602 PolarHBondContact O-N 2.91Å; S599-L603 WeakPolarHBondContact O-CG 3.31Å; S599-L603 PolarHBondContact O-N 3.18Å |
| 600 | N | 89.3 | Confident | 90.2 | Very high | 13 Ų | 13 | 35 Ų | 35 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 174.1 | -70.6 | -22 | 0 | 0 | 0 | 112 | T596 I597 Y598 L603 L604 L1182 L1185 M1202 | T596-N600 WeakPolarHBondContact O-CB 3.37Å; T596-N600 PolarHBondContact O-N 3.36Å; T596-N600 VanDerWaalsContact O-N 3.08Å; T596-N600 PolarHBondContact O-ND2 3.07Å; T596-N600 VanDerWaalsContact O-ND2 3.15Å; I597-N600 PolarHBondContact O-N 3.39Å; Y598-N600 VanDerWaalsContact C-N 3.33Å; Y598-N600 PolarHBondContact O-N 2.83Å; N600-L603 PolarHBondContact O-N 3.32Å; N600-L604 WeakPolarHBondContact O-CB 3.4Å; N600-L604 PolarHBondContact O-N 3.04Å; N600-L1182 HydrophobicContact CB-CD2 4.02Å; N600-L1185 WeakPolarHBondContact ND2-CD2 3.23Å; N600-M1202 HydrophobicContact CB-CE 4.39Å |
| 601 | W | 88.9 | Confident | 90.2 | Very high | 11.3333 Ų | 11.3333 | 35 Ų | 35 | 4% | 0.043 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 173.5 | 173.1 | 77.4 | 0 | 0 | 0 | 111.7 | L566 L567 S570 I573 P575 P587 I597 Y598 S599 L603 L604 Q605 | L566-W601 HydrophobicContact CD1-CD2 4.14Å; L566-W601 HydrophobicContact CD1-CG 4.17Å; L566-W601 HydrophobicContact CD1-CZ2 4.45Å; L566-W601 HydrophobicContact CD2-CB 3.93Å; L566-W601 HydrophobicContact CD2-CD2 4.07Å; L566-W601 HydrophobicContact CD2-CE3 4.43Å; L566-W601 HydrophobicContact CD2-CG 3.82Å; L566-W601 HydrophobicContact CG-CB 4.24Å; L566-W601 HydrophobicContact CG-CD2 4.23Å; L566-W601 HydrophobicContact CG-CG 3.82Å; L567-W601 HydrophobicContact CD2-CB 3.85Å; S570-W601 VanDerWaalsContact CB-CD1 3.49Å; I573-W601 HydrophobicContact CG2-CZ2 4.48Å; P575-W601 HydrophobicContact CB-CH2 4.31Å; P575-W601 HydrophobicContact CG-CH2 3.88Å; P575-W601 HydrophobicContact CG-CZ2 4.05Å; P587-W601 HydrophobicContact CB-CE3 4.49Å; P587-W601 HydrophobicContact CB-CH2 4.04Å; P587-W601 HydrophobicContact CB-CZ3 3.98Å; P587-W601 HydrophobicContact CG-CH2 3.77Å; P587-W601 HydrophobicContact CG-CZ2 4.02Å; P587-W601 HydrophobicContact CG-CZ3 4.19Å; I597-W601 WeakPolarHBondContact O-CB 3.42Å; I597-W601 PolarHBondContact O-N 3.27Å; Y598-W601 HydrophobicContact CD2-CE3 4.19Å; Y598-W601 HydrophobicContact CD2-CZ3 4.46Å; Y598-W601 HydrophobicContact CE2-CE3 4.09Å; Y598-W601 AromaticContact CE2-CZ3 3.91Å; Y598-W601 HydrophobicContact CE2-CZ3 4Å; Y598-W601 WeakPolarHBondContact O-CB 3.34Å; Y598-W601 PolarHBondContact O-N 3.32Å; S599-W601 VanDerWaalsContact C-N 3.33Å; W601-L603 VanDerWaalsContact C-N 3.34Å; W601-L603 PolarHBondContact O-N 3.21Å; W601-L604 WeakPolarHBondContact O-CB 3.27Å; W601-L604 PolarHBondContact O-N 3.07Å; W601-L604 VanDerWaalsContact O-N 3.14Å; W601-Q605 HydrophobicContact CD2-CG 4.42Å; W601-Q605 HydrophobicContact CZ2-CG 4.22Å; W601-Q605 WeakPolarHBondContact O-CG 3.33Å; W601-Q605 PolarHBondContact O-N 2.75Å |
| 602 | L | 88.2 | Confident | 90.3 | Very high | 54.6667 Ų | 54.6667 | 36.7 Ų | 36.7 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.5 | -73.1 | 176 | 0 | 0 | 0 | 112.3 | Y598 S599 L604 Q605 Q606 | Y598-L602 HydrophobicContact CD1-CD1 4.08Å; Y598-L602 HydrophobicContact CE1-CD1 3.41Å; Y598-L602 VanDerWaalsContact CE1-CD1 3.43Å; Y598-L602 HydrophobicContact CE1-CG 4.11Å; Y598-L602 PolarHBondContact O-N 2.91Å; S599-L602 PolarHBondContact O-N 2.91Å; L602-L604 VanDerWaalsContact C-N 3.28Å; L602-L604 PolarHBondContact O-N 2.98Å; L602-Q605 PolarHBondContact O-N 3.33Å; L602-Q606 WeakPolarHBondContact O-CG 3.23Å; L602-Q606 PolarHBondContact O-N 3.18Å; L602-Q606 VanDerWaalsContact O-N 3.1Å |
| 603 | L | 88.7 | Confident | 90.4 | Very high | 34.3333 Ų | 34.3333 | 35.4 Ų | 35.4 | 18% | 0.18 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -36.4 | 175.2 | -72.3 | 172.8 | 0 | 0 | 0 | 111.6 | S599 N600 W601 Q605 Q606 L607 F1179 P1181 L1182 | S599-L603 WeakPolarHBondContact O-CG 3.31Å; S599-L603 PolarHBondContact O-N 3.18Å; N600-L603 PolarHBondContact O-N 3.32Å; W601-L603 VanDerWaalsContact C-N 3.34Å; W601-L603 PolarHBondContact O-N 3.21Å; L603-Q605 VanDerWaalsContact C-N 3.33Å; L603-Q605 PolarHBondContact O-N 3.43Å; L603-Q606 PolarHBondContact O-N 3.22Å; L603-L607 WeakPolarHBondContact O-CB 3.44Å; L603-L607 PolarHBondContact O-N 3.44Å; L603-F1179 WeakPolarHBondContact O-CE1 3.43Å; L603-P1181 HydrophobicContact CD1-CB 4.29Å; L603-P1181 HydrophobicContact CD1-CG 4.37Å; L603-L1182 HydrophobicContact CB-CD1 3.86Å; L603-L1182 HydrophobicContact CB-CD2 4.06Å; L603-L1182 HydrophobicContact CB-CG 4.05Å |
| 604 | L | 89.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | 177.2 | -171.4 | 71.1 | 0 | 0 | 0 | 111.9 | L567 S570 L571 N600 W601 L602 L607 Q608 L1182 M1202 N1205 F1206 I1209 | L567-L604 HydrophobicContact CD2-CD2 4.44Å; S570-L604 WeakPolarHBondContact OG-CD2 3.47Å; L571-L604 HydrophobicContact CD2-CD2 4.36Å; N600-L604 WeakPolarHBondContact O-CB 3.4Å; N600-L604 PolarHBondContact O-N 3.04Å; W601-L604 WeakPolarHBondContact O-CB 3.27Å; W601-L604 PolarHBondContact O-N 3.07Å; W601-L604 VanDerWaalsContact O-N 3.14Å; L602-L604 VanDerWaalsContact C-N 3.28Å; L602-L604 PolarHBondContact O-N 2.98Å; L604-L607 HydrophobicContact CD1-CD2 4.38Å; L604-L607 WeakPolarHBondContact O-CB 3.44Å; L604-L607 PolarHBondContact O-N 2.89Å; L604-Q608 PolarHBondContact O-N 2.91Å; L604-L1182 HydrophobicContact CD1-CD1 4.46Å; L604-M1202 HydrophobicContact CD1-SD 3.89Å; L604-N1205 HydrophobicContact CD1-CB 4.05Å; L604-N1205 HydrophobicContact CD2-CB 3.98Å; L604-N1205 WeakPolarHBondContact CD2-ND2 3.41Å; L604-F1206 HydrophobicContact CD1-CD1 4.37Å; L604-F1206 HydrophobicContact CD1-CE1 4.24Å; L604-I1209 HydrophobicContact CD1-CD1 3.49Å; L604-I1209 VanDerWaalsContact CD1-CD1 3.47Å; L604-I1209 HydrophobicContact CD2-CD1 4.4Å; L604-I1209 HydrophobicContact CG-CD1 3.8Å |
| 605 | Q | 87.5 | Confident | 90.4 | Very high | 19.6667 Ų | 19.6667 | 32.1 Ų | 32.1 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 173.6 | -64.9 | -58.7 | -40 | 0 | 0 | 111.6 | S570 W601 L602 L603 L607 Q608 T609 | S570-Q605 PolarHBondContact O-NE2 2.87Å; S570-Q605 VanDerWaalsContact O-NE2 3.1Å; W601-Q605 HydrophobicContact CD2-CG 4.42Å; W601-Q605 HydrophobicContact CZ2-CG 4.22Å; W601-Q605 WeakPolarHBondContact O-CG 3.33Å; W601-Q605 PolarHBondContact O-N 2.75Å; L602-Q605 PolarHBondContact O-N 3.33Å; L603-Q605 VanDerWaalsContact C-N 3.33Å; L603-Q605 PolarHBondContact O-N 3.43Å; Q605-L607 VanDerWaalsContact C-N 3.3Å; Q605-L607 PolarHBondContact O-N 2.82Å; Q605-Q608 WeakPolarHBondContact O-CB 3.37Å; Q605-Q608 PolarHBondContact O-N 3.07Å; Q605-Q608 VanDerWaalsContact O-N 3.16Å; Q605-T609 PolarHBondContact O-N 3.2Å; Q605-T609 PolarHBondContact O-OG1 3.22Å |
| 606 | Q | 87.7 | Confident | 90.5 | Very high | 66.6667 Ų | 66.6667 | 28.5 Ų | 28.5 | 31% | 0.312 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 174.9 | -68.8 | 174.6 | 6.1 | 0 | 0 | 112.1 | L602 L603 T609 S610 R1178 F1179 | L602-Q606 WeakPolarHBondContact O-CG 3.23Å; L602-Q606 PolarHBondContact O-N 3.18Å; L602-Q606 VanDerWaalsContact O-N 3.1Å; L603-Q606 PolarHBondContact O-N 3.22Å; Q606-T609 PolarHBondContact O-N 3.21Å; Q606-S610 WeakPolarHBondContact O-CB 3.41Å; Q606-S610 PolarHBondContact O-N 3.16Å; Q606-R1178 VanDerWaalsContact OE1-CZ 3.3Å; Q606-R1178 VanDerWaalsContact OE1-NE 3.1Å; Q606-F1179 HydrophobicContact CB-CE1 3.91Å; Q606-F1179 HydrophobicContact CB-CZ 4.25Å |
| 607 | L | 90.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 172.9 | 177.2 | 64 | 0 | 0 | 0 | 110.1 | L603 L604 Q605 T609 S610 I611 I650 F1179 L1182 F1206 I1209 | L603-L607 WeakPolarHBondContact O-CB 3.44Å; L603-L607 PolarHBondContact O-N 3.44Å; L604-L607 HydrophobicContact CD1-CD2 4.38Å; L604-L607 WeakPolarHBondContact O-CB 3.44Å; L604-L607 PolarHBondContact O-N 2.89Å; Q605-L607 VanDerWaalsContact C-N 3.3Å; Q605-L607 PolarHBondContact O-N 2.82Å; L607-T609 VanDerWaalsContact C-N 3.35Å; L607-T609 PolarHBondContact O-N 3.22Å; L607-S610 WeakPolarHBondContact O-CB 3.31Å; L607-S610 PolarHBondContact O-N 3.06Å; L607-S610 VanDerWaalsContact O-N 3.14Å; L607-I611 HydrophobicContact CD1-CD1 3.81Å; L607-I611 HydrophobicContact CD1-CG1 3.93Å; L607-I611 HydrophobicContact CD2-CD1 4.41Å; L607-I611 HydrophobicContact CG-CD1 3.83Å; L607-I611 HydrophobicContact CG-CG1 4.23Å; L607-I611 VanDerWaalsContact O-CG1 3.26Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.25Å; L607-I650 HydrophobicContact CD1-CD1 3.78Å; L607-I650 HydrophobicContact CD2-CD1 3.58Å; L607-I650 HydrophobicContact CG-CD1 4.33Å; L607-F1179 HydrophobicContact CB-CD1 4.05Å; L607-F1179 HydrophobicContact CB-CE1 3.89Å; L607-F1179 HydrophobicContact CB-CE2 4.44Å; L607-F1179 HydrophobicContact CB-CG 4.42Å; L607-F1179 HydrophobicContact CB-CZ 4.1Å; L607-F1179 HydrophobicContact CD1-CD1 4.48Å; L607-F1179 HydrophobicContact CD1-CD2 3.68Å; L607-F1179 HydrophobicContact CD1-CE2 3.83Å; L607-F1179 HydrophobicContact CD1-CG 4.03Å; L607-F1179 HydrophobicContact CD1-CZ 4.33Å; L607-L1182 HydrophobicContact CB-CD1 4.39Å; L607-L1182 HydrophobicContact CD2-CD1 4.16Å; L607-F1206 HydrophobicContact CD2-CD1 3.81Å; L607-F1206 HydrophobicContact CD2-CE1 3.52Å; L607-F1206 VanDerWaalsContact CD2-CE1 3.49Å; L607-F1206 HydrophobicContact CD2-CZ 4.39Å; L607-I1209 HydrophobicContact CD2-CD1 4.49Å |
| 608 | Q | 90.5 | Very high | 90.7 | Very high | 28.6667 Ų | 28.6667 | 24 Ų | 24 | 13% | 0.134 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.3 | -52 | 175.8 | -179.8 | 177 | -11 | 0 | 0 | 111.3 | N574 L604 Q605 S610 I611 F612 I1209 | N574-Q608 PolarHBondContact OD1-NE2 3.06Å; L604-Q608 PolarHBondContact O-N 2.91Å; Q605-Q608 WeakPolarHBondContact O-CB 3.37Å; Q605-Q608 PolarHBondContact O-N 3.07Å; Q605-Q608 VanDerWaalsContact O-N 3.16Å; Q608-S610 VanDerWaalsContact C-N 3.34Å; Q608-S610 PolarHBondContact O-N 3.01Å; Q608-I611 PolarHBondContact O-N 3.23Å; Q608-F612 HydrophobicContact CG-CD2 3.97Å; Q608-F612 HydrophobicContact CG-CE2 3.81Å; Q608-F612 VanDerWaalsContact O-CD2 3.24Å; Q608-F612 WeakPolarHBondContact O-CD2 3.33Å; Q608-F612 PolarHBondContact O-N 3.08Å; Q608-I1209 HydrophobicContact CB-CD1 4.28Å; Q608-I1209 HydrophobicContact CB-CG1 4.27Å; Q608-I1209 HydrophobicContact CB-CG2 3.97Å; Q608-I1209 HydrophobicContact CG-CG1 4.46Å; Q608-I1209 HydrophobicContact CG-CG2 4.13Å |
| 609 | T | 89.2 | Confident | 90.6 | Very high | 70.3333 Ų | 70.3333 | 23.9 Ų | 23.9 | 43% | 0.431 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 176.6 | -50.8 | 0 | 0 | 0 | 0 | 112.4 | Q605 Q606 L607 I611 F612 H613 | Q605-T609 PolarHBondContact O-N 3.2Å; Q605-T609 PolarHBondContact O-OG1 3.22Å; Q606-T609 PolarHBondContact O-N 3.21Å; L607-T609 VanDerWaalsContact C-N 3.35Å; L607-T609 PolarHBondContact O-N 3.22Å; T609-I611 VanDerWaalsContact C-N 3.33Å; T609-I611 PolarHBondContact O-N 3.21Å; T609-F612 PolarHBondContact O-N 2.99Å; T609-H613 PolarHBondContact O-N 3.37Å |
| 610 | S | 91.8 | Very high | 90.6 | Very high | 4.33333 Ų | 4.33333 | 24.2 Ų | 24.2 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | Q606 L607 Q608 H613 L614 D643 A644 S646 S647 | Q606-S610 WeakPolarHBondContact O-CB 3.41Å; Q606-S610 PolarHBondContact O-N 3.16Å; L607-S610 WeakPolarHBondContact O-CB 3.31Å; L607-S610 PolarHBondContact O-N 3.06Å; L607-S610 VanDerWaalsContact O-N 3.14Å; Q608-S610 VanDerWaalsContact C-N 3.34Å; Q608-S610 PolarHBondContact O-N 3.01Å; S610-H613 PolarHBondContact O-N 3.22Å; S610-L614 WeakPolarHBondContact O-CB 3.01Å; S610-L614 PolarHBondContact O-N 3.22Å; S610-D643 WeakPolarHBondContact CB-O 3.34Å; S610-D643 PolarHBondContact OG-O 3.06Å; S610-A644 PolarHBondContact OG-O 3.04Å; S610-S646 PolarHBondContact OG-OG 3.22Å; S610-S647 VanDerWaalsContact OG-CB 3.3Å; S610-S647 WeakPolarHBondContact OG-CB 3.34Å; S610-S647 PolarHBondContact OG-N 3.12Å |
| 611 | I | 92.6 | Very high | 90.3 | Very high | 0.666667 Ų | 0.666667 | 24 Ų | 24 | 0% | 0.003 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | 177.5 | -63.5 | -173.4 | 0 | 0 | 0 | 111.2 | L607 Q608 T609 L614 I615 I651 I1209 W1210 A1213 | L607-I611 HydrophobicContact CD1-CD1 3.81Å; L607-I611 HydrophobicContact CD1-CG1 3.93Å; L607-I611 HydrophobicContact CD2-CD1 4.41Å; L607-I611 HydrophobicContact CG-CD1 3.83Å; L607-I611 HydrophobicContact CG-CG1 4.23Å; L607-I611 VanDerWaalsContact O-CG1 3.26Å; L607-I611 WeakPolarHBondContact O-CG1 3.29Å; L607-I611 PolarHBondContact O-N 3.25Å; Q608-I611 PolarHBondContact O-N 3.23Å; T609-I611 VanDerWaalsContact C-N 3.33Å; T609-I611 PolarHBondContact O-N 3.21Å; I611-L614 WeakPolarHBondContact O-CB 3.24Å; I611-L614 PolarHBondContact O-N 3.25Å; I611-I615 WeakPolarHBondContact O-CG1 3.36Å; I611-I615 PolarHBondContact O-N 3.09Å; I611-I615 VanDerWaalsContact O-N 3.13Å; I611-I651 HydrophobicContact CB-CD1 4.06Å; I611-I651 HydrophobicContact CD1-CD1 3.7Å; I611-I651 HydrophobicContact CD1-CG1 4.09Å; I611-I651 HydrophobicContact CG1-CD1 3.44Å; I611-I651 VanDerWaalsContact CG1-CD1 3.44Å; I611-I651 HydrophobicContact CG1-CG1 4.33Å; I611-I651 HydrophobicContact CG2-CD1 3.77Å; I611-I1209 HydrophobicContact CB-CG2 4.15Å; I611-I1209 HydrophobicContact CD1-CG2 3.67Å; I611-I1209 HydrophobicContact CG1-CG2 4.32Å; I611-I1209 HydrophobicContact CG2-CG2 4.35Å; I611-W1210 HydrophobicContact CG2-CE3 4.1Å; I611-W1210 HydrophobicContact CG2-CZ3 4.38Å; I611-A1213 HydrophobicContact CG2-CB 3.54Å |
| 612 | F | 92.9 | Very high | 90 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 19% | 0.189 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 173.8 | -88 | -108.9 | 0 | 0 | 0 | 111 | Q608 T609 L614 I615 D616 F1212 A1213 | Q608-F612 HydrophobicContact CG-CD2 3.97Å; Q608-F612 HydrophobicContact CG-CE2 3.81Å; Q608-F612 VanDerWaalsContact O-CD2 3.24Å; Q608-F612 WeakPolarHBondContact O-CD2 3.33Å; Q608-F612 PolarHBondContact O-N 3.08Å; T609-F612 PolarHBondContact O-N 2.99Å; F612-L614 VanDerWaalsContact C-N 3.27Å; F612-L614 PolarHBondContact O-N 3.3Å; F612-I615 PolarHBondContact O-N 3.01Å; F612-I615 VanDerWaalsContact O-N 3.11Å; F612-D616 PolarHBondContact O-N 3.33Å; F612-F1212 HydrophobicContact CE2-CB 4.36Å; F612-F1212 HydrophobicContact CZ-CB 4.19Å; F612-A1213 HydrophobicContact CD2-CB 3.61Å; F612-A1213 HydrophobicContact CE2-CB 3.7Å; F612-A1213 HydrophobicContact CG-CB 4.16Å; F612-A1213 HydrophobicContact CZ-CB 4.28Å |
| 613 | H | 93.9 | Very high | 89.7 | Confident | 43.6667 Ų | 43.6667 | 26.2 Ų | 26.2 | 20% | 0.202 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -34.4 | 175.4 | -67.2 | 177.4 | 0 | 0 | 0 | 112.6 | T609 S610 D616 F617 L640 D643 A644 | T609-H613 PolarHBondContact O-N 3.37Å; S610-H613 PolarHBondContact O-N 3.22Å; H613-D616 PolarHBondContact O-N 3.2Å; H613-F617 VanDerWaalsContact O-CB 3.29Å; H613-F617 WeakPolarHBondContact O-CB 3.36Å; H613-F617 PolarHBondContact O-N 3.2Å; H613-L640 HydrophobicContact CB-CB 4.49Å; H613-L640 HydrophobicContact CB-CD2 3.97Å; H613-D643 HydrophobicContact CB-CB 4.29Å; H613-D643 IonicContact CE1-OD2 3Å; H613-D643 PolarHBondContact CE1-OD2 3.06Å; H613-D643 VanDerWaalsContact CE1-OD2 3.3Å; H613-D643 WeakPolarHBondContact ND1-CB 3.25Å; H613-D643 IonicContact ND1-OD2 3.18Å; H613-D643 PolarHBondContact ND1-OD2 3.35Å; H613-D643 VanDerWaalsContact ND1-OD2 3.1Å; H613-A644 HydrophobicContact CB-CB 4.47Å |
| 614 | L | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 173.8 | -179.3 | 147.6 | 0 | 0 | 0 | 111.5 | S610 I611 F612 F617 L618 A644 S647 L648 I651 F656 W1210 | S610-L614 WeakPolarHBondContact O-CB 3.01Å; S610-L614 PolarHBondContact O-N 3.22Å; I611-L614 WeakPolarHBondContact O-CB 3.24Å; I611-L614 PolarHBondContact O-N 3.25Å; F612-L614 VanDerWaalsContact C-N 3.27Å; F612-L614 PolarHBondContact O-N 3.3Å; L614-F617 PolarHBondContact O-N 3.11Å; L614-L618 HydrophobicContact CD2-CD1 3.65Å; L614-L618 HydrophobicContact CD2-CG 4.43Å; L614-L618 HydrophobicContact CG-CD1 4.44Å; L614-L618 WeakPolarHBondContact O-CB 3.22Å; L614-L618 WeakPolarHBondContact O-CG 3.32Å; L614-L618 PolarHBondContact O-N 3.18Å; L614-A644 VanDerWaalsContact CA-CB 3.48Å; L614-A644 HydrophobicContact CB-CB 3.72Å; L614-A644 HydrophobicContact CG-CB 4.44Å; L614-S647 WeakPolarHBondContact CD1-OG 3.26Å; L614-L648 HydrophobicContact CD1-CD2 3.74Å; L614-I651 HydrophobicContact CD1-CD1 3.97Å; L614-I651 HydrophobicContact CD2-CD1 4.43Å; L614-F656 HydrophobicContact CD1-CD2 4.29Å; L614-F656 HydrophobicContact CD1-CG 4.45Å; L614-F656 HydrophobicContact CG-CD2 4.05Å; L614-W1210 HydrophobicContact CD2-CZ3 4.48Å |
| 615 | I | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.9 | -38.5 | -179.2 | -61.5 | -175.6 | 0 | 0 | 0 | 110.8 | I611 F612 F617 L618 D619 W1210 A1213 C1214 K1216 Y1253 | I611-I615 WeakPolarHBondContact O-CG1 3.36Å; I611-I615 PolarHBondContact O-N 3.09Å; I611-I615 VanDerWaalsContact O-N 3.13Å; F612-I615 PolarHBondContact O-N 3.01Å; F612-I615 VanDerWaalsContact O-N 3.11Å; I615-F617 VanDerWaalsContact C-N 3.35Å; I615-L618 PolarHBondContact O-N 3.12Å; I615-D619 WeakPolarHBondContact O-CB 3.48Å; I615-D619 VanDerWaalsContact O-CG 3.27Å; I615-D619 PolarHBondContact O-N 3.3Å; I615-W1210 HydrophobicContact CD1-CZ3 4.44Å; I615-A1213 HydrophobicContact CD1-CB 3.38Å; I615-A1213 WeakPolarHBondContact CD1-O 3.21Å; I615-A1213 HydrophobicContact CG1-CB 4.38Å; I615-C1214 HydrophobicContact CD1-CB 4.47Å; I615-C1214 VanDerWaalsContact CD1-N 3.33Å; I615-K1216 VanDerWaalsContact CG2-NZ 3.34Å; I615-Y1253 HydrophobicContact CG1-CD2 4.28Å; I615-Y1253 HydrophobicContact CG2-CD2 4.23Å; I615-Y1253 HydrophobicContact CG2-CE2 3.97Å |
| 616 | D | 92.2 | Very high | 87.5 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 173.7 | -67.7 | -24.3 | 0 | 0 | 0 | 111.2 | F612 H613 L618 D619 I620 L640 K1216 | F612-D616 PolarHBondContact O-N 3.33Å; H613-D616 PolarHBondContact O-N 3.2Å; D616-L618 PolarHBondContact O-N 3.26Å; D616-D619 PolarHBondContact O-N 3.12Å; D616-I620 WeakPolarHBondContact O-CB 3.33Å; D616-I620 WeakPolarHBondContact O-CD1 3.33Å; D616-I620 WeakPolarHBondContact O-CG1 3.4Å; D616-I620 PolarHBondContact O-N 3.1Å; D616-L640 HydrophobicContact CB-CD1 4.18Å; D616-K1216 IonicContact OD1-NZ 3.23Å; D616-K1216 PolarHBondContact OD1-NZ 3.17Å |
| 617 | F | 92.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 174.4 | 177.7 | -97.6 | 0 | 0 | 0 | 112 | H613 L614 I615 I620 S621 N637 L640 A641 F656 N659 F660 F663 | H613-F617 VanDerWaalsContact O-CB 3.29Å; H613-F617 WeakPolarHBondContact O-CB 3.36Å; H613-F617 PolarHBondContact O-N 3.2Å; L614-F617 PolarHBondContact O-N 3.11Å; I615-F617 VanDerWaalsContact C-N 3.35Å; F617-I620 PolarHBondContact O-N 3.39Å; F617-S621 WeakPolarHBondContact O-CB 3.44Å; F617-S621 PolarHBondContact O-N 3.08Å; F617-S621 PolarHBondContact O-OG 3.18Å; F617-N637 WeakPolarHBondContact CD2-O 3.43Å; F617-L640 HydrophobicContact CB-CB 4.35Å; F617-A641 HydrophobicContact CD2-CB 3.83Å; F617-A641 HydrophobicContact CE2-CB 3.84Å; F617-A641 HydrophobicContact CG-CB 4.33Å; F617-A641 HydrophobicContact CZ-CB 4.34Å; F617-F656 HydrophobicContact CB-CE2 4.45Å; F617-F656 AromaticContact CD1-CD2 3.56Å; F617-F656 HydrophobicContact CD1-CD2 3.56Å; F617-F656 AromaticContact CD1-CE2 3.41Å; F617-F656 HydrophobicContact CD1-CE2 3.41Å; F617-F656 VanDerWaalsContact CD1-CE2 3.42Å; F617-F656 HydrophobicContact CD1-CZ 4.39Å; F617-F656 HydrophobicContact CE1-CD2 4.01Å; F617-F656 AromaticContact CE1-CE2 3.86Å; F617-F656 HydrophobicContact CE1-CE2 3.86Å; F617-F656 HydrophobicContact CE1-CZ 4.48Å; F617-F656 HydrophobicContact CG-CD2 4.49Å; F617-F656 HydrophobicContact CG-CE2 4.02Å; F617-N659 HydrophobicContact CE1-CB 4.49Å; F617-F660 HydrophobicContact CE1-CB 4.14Å; F617-F660 HydrophobicContact CE1-CD2 4.39Å; F617-F660 HydrophobicContact CE2-CD2 4.34Å; F617-F660 HydrophobicContact CZ-CB 4.15Å; F617-F660 AromaticContact CZ-CD2 3.81Å; F617-F660 HydrophobicContact CZ-CD2 3.81Å; F617-F660 HydrophobicContact CZ-CG 4.47Å; F617-F663 HydrophobicContact CE2-CB 4.35Å; F617-F663 AromaticContact CE2-CD1 3.93Å; F617-F663 HydrophobicContact CE2-CD1 3.93Å; F617-F663 HydrophobicContact CE2-CD2 4.24Å; F617-F663 HydrophobicContact CE2-CE1 4.31Å; F617-F663 AromaticContact CE2-CG 3.9Å; F617-F663 HydrophobicContact CE2-CG 3.9Å; F617-F663 HydrophobicContact CZ-CB 3.93Å; F617-F663 HydrophobicContact CZ-CD1 4.12Å; F617-F663 AromaticContact CZ-CG 3.97Å; F617-F663 HydrophobicContact CZ-CG 3.97Å |
| 618 | L | 91.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 179.1 | -76.6 | 178.1 | 0 | 0 | 0 | 112.4 | L614 I615 D616 S621 E622 R655 F656 N659 Y1253 | L614-L618 HydrophobicContact CD2-CD1 3.65Å; L614-L618 HydrophobicContact CD2-CG 4.43Å; L614-L618 HydrophobicContact CG-CD1 4.44Å; L614-L618 WeakPolarHBondContact O-CB 3.22Å; L614-L618 WeakPolarHBondContact O-CG 3.32Å; L614-L618 PolarHBondContact O-N 3.18Å; I615-L618 PolarHBondContact O-N 3.12Å; D616-L618 PolarHBondContact O-N 3.26Å; L618-S621 WeakPolarHBondContact CA-OG 3.33Å; L618-S621 PolarHBondContact O-N 2.94Å; L618-S621 PolarHBondContact O-OG 3.32Å; L618-E622 PolarHBondContact O-N 3.1Å; L618-R655 HydrophobicContact CD2-CB 4.49Å; L618-R655 HydrophobicContact CD2-CG 4.17Å; L618-F656 HydrophobicContact CD2-CB 4.3Å; L618-N659 HydrophobicContact CD2-CB 4.24Å; L618-Y1253 HydrophobicContact CB-CD2 4.02Å; L618-Y1253 HydrophobicContact CB-CE1 4.32Å; L618-Y1253 HydrophobicContact CB-CE2 3.56Å; L618-Y1253 HydrophobicContact CD1-CD1 4Å; L618-Y1253 HydrophobicContact CD1-CD2 3.5Å; L618-Y1253 VanDerWaalsContact CD1-CD2 3.49Å; L618-Y1253 HydrophobicContact CD1-CE1 4.42Å; L618-Y1253 HydrophobicContact CD1-CE2 3.96Å; L618-Y1253 HydrophobicContact CD1-CG 3.51Å; L618-Y1253 HydrophobicContact CG-CD2 4.42Å; L618-Y1253 HydrophobicContact CG-CE2 4.42Å |
| 619 | D | 89.6 | Confident | 83.2 | Confident | 19.6667 Ų | 19.6667 | 42.5 Ų | 42.5 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 177 | -71.9 | -17.6 | 0 | 0 | 0 | 111.4 | I615 D616 S621 E622 I623 K1216 R1249 Y1253 | I615-D619 WeakPolarHBondContact O-CB 3.48Å; I615-D619 VanDerWaalsContact O-CG 3.27Å; I615-D619 PolarHBondContact O-N 3.3Å; D616-D619 PolarHBondContact O-N 3.12Å; D619-S621 VanDerWaalsContact C-N 3.29Å; D619-S621 PolarHBondContact O-N 3.08Å; D619-E622 PolarHBondContact O-N 3.18Å; D619-I623 VanDerWaalsContact O-CG1 3.29Å; D619-I623 WeakPolarHBondContact O-CG1 3.42Å; D619-I623 PolarHBondContact O-N 3.3Å; D619-K1216 WeakPolarHBondContact OD2-CE 3.45Å; D619-K1216 IonicContact OD2-NZ 3.26Å; D619-K1216 PolarHBondContact OD2-NZ 3.39Å; D619-R1249 IonicContact OD1-CZ 3.08Å; D619-R1249 IonicContact OD1-NE 3.16Å; D619-R1249 PolarHBondContact OD1-NE 3.13Å; D619-R1249 IonicContact OD1-NH2 3.43Å; D619-R1249 IonicContact OD2-CZ 3.32Å; D619-R1249 IonicContact OD2-NE 3.66Å; D619-R1249 PolarHBondContact OD2-NE 3.08Å; D619-R1249 VanDerWaalsContact OD2-NE 3.1Å; D619-R1249 IonicContact OD2-NH2 3.53Å; D619-R1249 PolarHBondContact OD2-NH2 2.81Å; D619-Y1253 PolarHBondContact OD1-OH 3.03Å |
| 620 | I | 87.4 | Confident | 81.7 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 176.1 | -65.8 | 163.9 | 0 | 0 | 0 | 110.3 | D616 F617 E622 I623 S624 N637 L640 | D616-I620 WeakPolarHBondContact O-CB 3.33Å; D616-I620 WeakPolarHBondContact O-CD1 3.33Å; D616-I620 WeakPolarHBondContact O-CG1 3.4Å; D616-I620 PolarHBondContact O-N 3.1Å; F617-I620 PolarHBondContact O-N 3.39Å; I620-E622 VanDerWaalsContact C-N 3.35Å; I620-E622 PolarHBondContact O-N 3.18Å; I620-I623 PolarHBondContact O-N 3.27Å; I620-S624 VanDerWaalsContact O-CB 3.24Å; I620-S624 WeakPolarHBondContact O-CB 3.39Å; I620-S624 PolarHBondContact O-N 3.06Å; I620-S624 PolarHBondContact O-OG 3.33Å; I620-N637 WeakPolarHBondContact CG2-ND2 3.4Å; I620-L640 HydrophobicContact CD1-CD1 3.8Å |
| 621 | S | 84.4 | Confident | 80.3 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.1 | 75.3 | 0 | 0 | 0 | 0 | 112.3 | F617 L618 D619 S624 L625 N659 | F617-S621 WeakPolarHBondContact O-CB 3.44Å; F617-S621 PolarHBondContact O-N 3.08Å; F617-S621 PolarHBondContact O-OG 3.18Å; L618-S621 WeakPolarHBondContact CA-OG 3.33Å; L618-S621 PolarHBondContact O-N 2.94Å; L618-S621 PolarHBondContact O-OG 3.32Å; D619-S621 VanDerWaalsContact C-N 3.29Å; D619-S621 PolarHBondContact O-N 3.08Å; S621-S624 WeakPolarHBondContact CA-OG 3.34Å; S621-S624 PolarHBondContact O-N 3.3Å; S621-S624 PolarHBondContact O-OG 2.85Å; S621-L625 WeakPolarHBondContact O-CD1 3.34Å; S621-L625 VanDerWaalsContact O-CG 3.22Å; S621-L625 WeakPolarHBondContact O-CG 3.37Å; S621-L625 PolarHBondContact O-N 3.33Å; S621-N659 PolarHBondContact OG-ND2 3.37Å |
| 622 | E | 82.7 | Confident | 79 | Confident | 28.6667 Ų | 28.6667 | 53.8 Ų | 53.8 | 13% | 0.134 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.4 | -102.3 | -175.6 | 173 | 0 | 0 | 111.6 | L618 D619 I620 S624 L625 L626 R655 K1248 Y1253 | L618-E622 PolarHBondContact O-N 3.1Å; D619-E622 PolarHBondContact O-N 3.18Å; I620-E622 VanDerWaalsContact C-N 3.35Å; I620-E622 PolarHBondContact O-N 3.18Å; E622-S624 VanDerWaalsContact C-N 3.33Å; E622-S624 PolarHBondContact O-N 2.91Å; E622-L625 PolarHBondContact O-N 3.38Å; E622-L626 HydrophobicContact CG-CD1 4.26Å; E622-L626 VanDerWaalsContact O-CG 3.29Å; E622-L626 WeakPolarHBondContact O-CG 3.34Å; E622-L626 PolarHBondContact O-N 3.23Å; E622-L626 VanDerWaalsContact O-N 3.14Å; E622-R655 IonicContact OE1-CZ 3.91Å; E622-R655 IonicContact OE1-NE 3.45Å; E622-R655 PolarHBondContact OE1-NE 3.19Å; E622-R655 IonicContact OE1-NH1 3.85Å; E622-R655 IonicContact OE1-NH2 3.15Å; E622-R655 PolarHBondContact OE1-NH2 3.19Å; E622-R655 IonicContact OE2-CZ 3.81Å; E622-R655 IonicContact OE2-NH2 3.73Å; E622-R655 PolarHBondContact OE2-NH2 3.01Å; E622-K1248 IonicContact OE1-NZ 3.67Å; E622-K1248 IonicContact OE2-NZ 3.2Å; E622-K1248 PolarHBondContact OE2-NZ 2.99Å; E622-Y1253 WeakPolarHBondContact OE1-CE1 3.36Å; E622-Y1253 PolarHBondContact OE1-OH 2.73Å |
| 623 | I | 81.7 | Confident | 78.1 | Confident | 83.6667 Ų | 83.6667 | 52.1 Ų | 52.1 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.9 | -62.5 | 163.9 | 0 | 0 | 0 | 110.3 | D619 I620 L625 L626 S627 | D619-I623 VanDerWaalsContact O-CG1 3.29Å; D619-I623 WeakPolarHBondContact O-CG1 3.42Å; D619-I623 PolarHBondContact O-N 3.3Å; I620-I623 PolarHBondContact O-N 3.27Å; I623-L625 VanDerWaalsContact C-N 3.29Å; I623-L625 PolarHBondContact O-N 3.14Å; I623-L626 PolarHBondContact O-N 3.41Å; I623-L626 VanDerWaalsContact O-N 3.14Å; I623-S627 VanDerWaalsContact O-CB 3.25Å; I623-S627 WeakPolarHBondContact O-CB 3.31Å; I623-S627 PolarHBondContact O-N 3.18Å; I623-S627 PolarHBondContact O-OG 3.26Å |
| 624 | S | 78.5 | Confident | 77.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 176.3 | 158.2 | 0 | 0 | 0 | 0 | 112.6 | I620 S621 E622 L626 | I620-S624 VanDerWaalsContact O-CB 3.24Å; I620-S624 WeakPolarHBondContact O-CB 3.39Å; I620-S624 PolarHBondContact O-N 3.06Å; I620-S624 PolarHBondContact O-OG 3.33Å; S621-S624 WeakPolarHBondContact CA-OG 3.34Å; S621-S624 PolarHBondContact O-N 3.3Å; S621-S624 PolarHBondContact O-OG 2.85Å; E622-S624 VanDerWaalsContact C-N 3.33Å; E622-S624 PolarHBondContact O-N 2.91Å; S624-L626 VanDerWaalsContact C-N 3.32Å |
| 625 | L | 69.8 | Low | 76.8 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 44% | 0.44 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.4 | -28.3 | 175.1 | -72.2 | 168.4 | 0 | 0 | 0 | 112.7 | S621 E622 I623 E662 | S621-L625 WeakPolarHBondContact O-CD1 3.34Å; S621-L625 VanDerWaalsContact O-CG 3.22Å; S621-L625 WeakPolarHBondContact O-CG 3.37Å; S621-L625 PolarHBondContact O-N 3.33Å; E622-L625 PolarHBondContact O-N 3.38Å; I623-L625 VanDerWaalsContact C-N 3.29Å; I623-L625 PolarHBondContact O-N 3.14Å; L625-E662 VanDerWaalsContact CD2-CD 3.41Å; L625-E662 HydrophobicContact CD2-CG 4.19Å; L625-E662 VanDerWaalsContact CD2-OE1 3.25Å; L625-E662 WeakPolarHBondContact CD2-OE1 3.44Å |
| 626 | L | 70.8 | Confident | 76.5 | Confident | 149.667 Ų | 149.667 | 61.9 Ų | 61.9 | 78% | 0.784 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -92.4 | -28.5 | -179.1 | -67 | 171.6 | 0 | 0 | 0 | 113.4 | E622 I623 S624 | E622-L626 HydrophobicContact CG-CD1 4.26Å; E622-L626 VanDerWaalsContact O-CG 3.29Å; E622-L626 WeakPolarHBondContact O-CG 3.34Å; E622-L626 PolarHBondContact O-N 3.23Å; E622-L626 VanDerWaalsContact O-N 3.14Å; I623-L626 PolarHBondContact O-N 3.41Å; I623-L626 VanDerWaalsContact O-N 3.14Å; S624-L626 VanDerWaalsContact C-N 3.32Å |
| 627 | S | 65.9 | Low | 76.2 | Confident | 35.3333 Ų | 35.3333 | 59.9 Ų | 59.9 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | trans | -94.1 | 138.5 | -176 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | I623 S629 | I623-S627 VanDerWaalsContact O-CB 3.25Å; I623-S627 WeakPolarHBondContact O-CB 3.31Å; I623-S627 PolarHBondContact O-N 3.18Å; I623-S627 PolarHBondContact O-OG 3.26Å; S627-S629 PolarHBondContact O-N 3.08Å; S627-S629 PolarHBondContact OG-OG 3.48Å | ||
| 628 | T | 57.4 | Low | 75.9 | Confident | 143.333 Ų | 143.333 | 59.8 Ų | 59.8 | 88% | 0.879 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -79.2 | -5.4 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | N630 | T628-N630 PolarHBondContact O-N 2.99Š|
| 629 | S | 54.8 | Low | 75.8 | Confident | 58.6667 Ų | 58.6667 | 62.5 Ų | 62.5 | 41% | 0.41 | 34% | 0.341 | S | S | . | . | trans | -86.7 | 109 | -176.1 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | S627 D631 | S627-S629 PolarHBondContact O-N 3.08Å; S627-S629 PolarHBondContact OG-OG 3.48Å; S629-D631 PolarHBondContact O-N 2.89Å; S629-D631 VanDerWaalsContact O-N 3.16Å | ||
| 630 | N | 57.5 | Low | 75.8 | Confident | 112.667 Ų | 112.667 | 63.1 Ų | 63.1 | 60% | 0.602 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -71.6 | -3.5 | -176.9 | -70.7 | -16.8 | 0 | 0 | 0 | 114.9 | T628 Q632 I633 K670 | T628-N630 PolarHBondContact O-N 2.99Å; N630-Q632 PolarHBondContact O-N 3.04Å; N630-Q632 VanDerWaalsContact O-N 3.14Å; N630-I633 PolarHBondContact O-N 3.05Å; N630-K670 PolarHBondContact O-NZ 3.2Å |
| 631 | D | 62 | Low | 76 | Confident | 136.667 Ų | 136.667 | 61 Ų | 61 | 73% | 0.731 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -66.1 | -17.2 | -173.7 | -70.3 | -24 | 0 | 0 | 0 | 114.1 | S629 I633 N634 | S629-D631 PolarHBondContact O-N 2.89Å; S629-D631 VanDerWaalsContact O-N 3.16Å; D631-I633 VanDerWaalsContact C-N 3.34Å; D631-I633 PolarHBondContact O-N 3.34Å; D631-N634 PolarHBondContact O-ND2 3.1Å; D631-N634 PolarHBondContact O-OD1 3.36Å |
| 632 | Q | 66.6 | Low | 76.2 | Confident | 62.3333 Ų | 62.3333 | 63.1 Ų | 63.1 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -77.1 | -18.5 | -176.4 | -64.7 | -171.3 | -2.5 | 0 | 0 | 114.3 | N630 N634 N637 | N630-Q632 PolarHBondContact O-N 3.04Å; N630-Q632 VanDerWaalsContact O-N 3.14Å; Q632-N634 PolarHBondContact O-N 2.89Å; Q632-N634 VanDerWaalsContact O-N 3.16Å; Q632-N637 PolarHBondContact O-ND2 3.14Å |
| 633 | I | 73.5 | Confident | 76.5 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | trans | -84 | 94.3 | -178.3 | -55.4 | 174.1 | 0 | 0 | 0 | 110 | N630 D631 F663 Q666 F667 K670 H671 | N630-I633 PolarHBondContact O-N 3.05Å; D631-I633 VanDerWaalsContact C-N 3.34Å; D631-I633 PolarHBondContact O-N 3.34Å; I633-F663 HydrophobicContact CG2-CD2 4.38Å; I633-F663 HydrophobicContact CG2-CE2 3.84Å; I633-F663 HydrophobicContact CG2-CZ 4.46Å; I633-Q666 HydrophobicContact CD1-CB 3.59Å; I633-Q666 HydrophobicContact CD1-CG 4.44Å; I633-Q666 VanDerWaalsContact CD1-OE1 3.23Å; I633-F667 HydrophobicContact CG2-CB 3.95Å; I633-F667 HydrophobicContact CG2-CD2 3.76Å; I633-F667 HydrophobicContact CG2-CG 4.32Å; I633-K670 HydrophobicContact CB-CD 4.22Å; I633-K670 PolarHBondContact O-NZ 3.22Å; I633-K670 VanDerWaalsContact O-NZ 3.14Å; I633-H671 PolarHBondContact O-NE2 3.07Å; I633-H671 VanDerWaalsContact O-NE2 3.11Å | ||
| 634 | N | 78.8 | Confident | 76.9 | Confident | 59.6667 Ų | 59.6667 | 61.3 Ų | 61.3 | 32% | 0.319 | 34% | 0.335 | S | S | . | . | trans | -129.2 | 169.7 | -176.1 | 35.2 | 10.4 | 0 | 0 | 0 | 112.1 | D631 Q632 N636 N637 | D631-N634 PolarHBondContact O-ND2 3.1Å; D631-N634 PolarHBondContact O-OD1 3.36Å; Q632-N634 PolarHBondContact O-N 2.89Å; Q632-N634 VanDerWaalsContact O-N 3.16Å; N634-N636 PolarHBondContact O-N 3.15Å; N634-N636 WeakPolarHBondContact OD1-CB 3.44Å; N634-N636 PolarHBondContact OD1-N 3.18Å; N634-N636 VanDerWaalsContact OD1-N 3.15Å; N634-N637 PolarHBondContact O-N 3.39Å; N634-N637 VanDerWaalsContact OD1-CG 3.27Å; N634-N637 PolarHBondContact OD1-N 3.06Å; N634-N637 PolarHBondContact OD1-OD1 2.99Å; N634-N637 VanDerWaalsContact OD1-OD1 3.1Å | ||
| 635 | E | 82.2 | Confident | 77.5 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 38% | 0.379 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -28.3 | 177.2 | -171.5 | 178.7 | 167.4 | 0 | 0 | 112.4 | N637 L638 N639 V678 R681 | E635-N637 VanDerWaalsContact C-N 3.31Å; E635-N637 PolarHBondContact O-N 3.05Å; E635-L638 WeakPolarHBondContact O-CB 3.37Å; E635-L638 PolarHBondContact O-N 3.31Å; E635-L638 VanDerWaalsContact O-N 3.11Å; E635-N639 PolarHBondContact O-N 2.97Å; E635-N639 PolarHBondContact O-ND2 3.13Å; E635-V678 HydrophobicContact CG-CG1 4.18Å; E635-V678 HydrophobicContact CG-CG2 4.42Å; E635-V678 WeakPolarHBondContact OE1-CG2 3.42Å; E635-R681 IonicContact OE1-NH1 3.27Å; E635-R681 PolarHBondContact OE1-NH1 3.33Å |
| 636 | N | 86 | Confident | 78.2 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 177.1 | -65.6 | -5.6 | 0 | 0 | 0 | 111.9 | N634 L638 N639 L640 | N634-N636 PolarHBondContact O-N 3.15Å; N634-N636 WeakPolarHBondContact OD1-CB 3.44Å; N634-N636 PolarHBondContact OD1-N 3.18Å; N634-N636 VanDerWaalsContact OD1-N 3.15Å; N636-L638 VanDerWaalsContact C-N 3.27Å; N636-L638 PolarHBondContact O-N 3.05Å; N636-N639 WeakPolarHBondContact O-CB 3.32Å; N636-N639 PolarHBondContact O-N 2.89Å; N636-N639 VanDerWaalsContact O-N 3.13Å; N636-L640 WeakPolarHBondContact O-CG 3.26Å; N636-L640 PolarHBondContact O-N 3.32Å |
| 637 | N | 86.5 | Confident | 79.1 | Confident | 11.3333 Ų | 11.3333 | 49.7 Ų | 49.7 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 176.9 | -61.4 | -2.1 | 0 | 0 | 0 | 111.8 | F617 I620 Q632 N634 E635 N639 L640 A641 F663 | F617-N637 WeakPolarHBondContact CD2-O 3.43Å; I620-N637 WeakPolarHBondContact CG2-ND2 3.4Å; Q632-N637 PolarHBondContact O-ND2 3.14Å; N634-N637 PolarHBondContact O-N 3.39Å; N634-N637 VanDerWaalsContact OD1-CG 3.27Å; N634-N637 PolarHBondContact OD1-N 3.06Å; N634-N637 PolarHBondContact OD1-OD1 2.99Å; N634-N637 VanDerWaalsContact OD1-OD1 3.1Å; E635-N637 VanDerWaalsContact C-N 3.31Å; E635-N637 PolarHBondContact O-N 3.05Å; N637-N639 VanDerWaalsContact C-N 3.34Å; N637-L640 PolarHBondContact O-N 3.41Å; N637-A641 WeakPolarHBondContact O-CB 3.3Å; N637-A641 PolarHBondContact O-N 3.25Å; N637-F663 HydrophobicContact CB-CE2 3.62Å; N637-F663 HydrophobicContact CB-CZ 3.65Å |
| 638 | L | 86.7 | Confident | 80.2 | Confident | 0.666667 Ų | 0.666667 | 48 Ų | 48 | 0% | 0.003 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 174.4 | -175.6 | 68.1 | 0 | 0 | 0 | 111 | E635 N636 A641 M642 F660 F663 F667 V678 R681 I685 | E635-L638 WeakPolarHBondContact O-CB 3.37Å; E635-L638 PolarHBondContact O-N 3.31Å; E635-L638 VanDerWaalsContact O-N 3.11Å; N636-L638 VanDerWaalsContact C-N 3.27Å; N636-L638 PolarHBondContact O-N 3.05Å; L638-A641 PolarHBondContact O-N 3.1Å; L638-M642 WeakPolarHBondContact O-CB 3.3Å; L638-M642 PolarHBondContact O-N 3.25Å; L638-F660 HydrophobicContact CD1-CE2 4.14Å; L638-F660 HydrophobicContact CD1-CZ 4.3Å; L638-F663 HydrophobicContact CB-CE1 4.32Å; L638-F663 HydrophobicContact CB-CZ 4.42Å; L638-F663 HydrophobicContact CD1-CE1 4.18Å; L638-F667 HydrophobicContact CD2-CZ 4.4Å; L638-V678 HydrophobicContact CD2-CG1 3.63Å; L638-V678 WeakPolarHBondContact CD2-O 3.44Å; L638-R681 HydrophobicContact CD2-CB 4.12Å; L638-I685 HydrophobicContact CD1-CD1 3.94Å |
| 639 | N | 88 | Confident | 81.4 | Confident | 55.6667 Ų | 55.6667 | 42.8 Ų | 42.8 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 174.1 | -65.3 | -30.4 | 0 | 0 | 0 | 111.3 | E635 N636 N637 A641 M642 D643 R681 | E635-N639 PolarHBondContact O-N 2.97Å; E635-N639 PolarHBondContact O-ND2 3.13Å; N636-N639 WeakPolarHBondContact O-CB 3.32Å; N636-N639 PolarHBondContact O-N 2.89Å; N636-N639 VanDerWaalsContact O-N 3.13Å; N637-N639 VanDerWaalsContact C-N 3.34Å; N639-A641 VanDerWaalsContact C-N 3.33Å; N639-A641 PolarHBondContact O-N 3.14Å; N639-M642 WeakPolarHBondContact O-CB 3.36Å; N639-M642 PolarHBondContact O-N 3.25Å; N639-D643 PolarHBondContact O-N 3Å; N639-R681 PolarHBondContact OD1-NH1 3.16Å |
| 640 | L | 90.3 | Very high | 82.9 | Confident | 32.3333 Ų | 32.3333 | 40.6 Ų | 40.6 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -46.2 | 172.4 | -68.3 | 175.4 | 0 | 0 | 0 | 111.3 | H613 D616 F617 I620 N636 N637 M642 D643 A644 | H613-L640 HydrophobicContact CB-CB 4.49Å; H613-L640 HydrophobicContact CB-CD2 3.97Å; D616-L640 HydrophobicContact CB-CD1 4.18Å; F617-L640 HydrophobicContact CB-CB 4.35Å; I620-L640 HydrophobicContact CD1-CD1 3.8Å; N636-L640 WeakPolarHBondContact O-CG 3.26Å; N636-L640 PolarHBondContact O-N 3.32Å; N637-L640 PolarHBondContact O-N 3.41Å; L640-M642 VanDerWaalsContact C-N 3.34Å; L640-M642 PolarHBondContact O-N 3.01Å; L640-D643 PolarHBondContact O-N 3.11Å; L640-A644 WeakPolarHBondContact O-CB 3.43Å; L640-A644 PolarHBondContact O-N 3.27Å |
| 641 | A | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F617 N637 L638 N639 D643 A644 V645 F656 F660 I685 | F617-A641 HydrophobicContact CD2-CB 3.83Å; F617-A641 HydrophobicContact CE2-CB 3.84Å; F617-A641 HydrophobicContact CG-CB 4.33Å; F617-A641 HydrophobicContact CZ-CB 4.34Å; N637-A641 WeakPolarHBondContact O-CB 3.3Å; N637-A641 PolarHBondContact O-N 3.25Å; L638-A641 PolarHBondContact O-N 3.1Å; N639-A641 VanDerWaalsContact C-N 3.33Å; N639-A641 PolarHBondContact O-N 3.14Å; A641-D643 VanDerWaalsContact C-N 3.35Å; A641-A644 PolarHBondContact O-N 3.22Å; A641-V645 PolarHBondContact O-N 3.41Å; A641-F656 HydrophobicContact CB-CE2 4.44Å; A641-F656 HydrophobicContact CB-CZ 4.11Å; A641-F660 HydrophobicContact CB-CD2 3.69Å; A641-F660 HydrophobicContact CB-CE2 3.63Å; A641-I685 HydrophobicContact CB-CD1 4.03Å |
| 642 | M | 89 | Confident | 85.5 | Confident | 52.6667 Ų | 52.6667 | 28.8 Ų | 28.8 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -65 | -39.1 | 178.4 | -170 | 66.1 | -153.8 | 0 | 0 | 112 | L638 N639 L640 V645 L684 I685 | L638-M642 WeakPolarHBondContact O-CB 3.3Å; L638-M642 PolarHBondContact O-N 3.25Å; N639-M642 WeakPolarHBondContact O-CB 3.36Å; N639-M642 PolarHBondContact O-N 3.25Å; L640-M642 VanDerWaalsContact C-N 3.34Å; L640-M642 PolarHBondContact O-N 3.01Å; M642-V645 WeakPolarHBondContact O-CG1 3.34Å; M642-L684 HydrophobicContact CE-CD2 3.85Å; M642-L684 HydrophobicContact SD-CD2 4.49Å; M642-I685 HydrophobicContact CB-CD1 4.01Å; M642-I685 HydrophobicContact SD-CD1 3.93Å; M642-I685 HydrophobicContact SD-CG1 3.56Å; M642-I685 VanDerWaalsContact SD-CG1 3.56Å |
| 643 | D | 88.2 | Confident | 86.6 | Confident | 74 Ų | 74 | 25.8 Ų | 25.8 | 40% | 0.396 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -73.9 | -38.1 | 175.3 | -69.5 | -24 | 0 | 0 | 0 | 111.3 | S610 H613 N639 L640 A641 S646 | S610-D643 WeakPolarHBondContact CB-O 3.34Å; S610-D643 PolarHBondContact OG-O 3.06Å; H613-D643 HydrophobicContact CB-CB 4.29Å; H613-D643 IonicContact CE1-OD2 3Å; H613-D643 PolarHBondContact CE1-OD2 3.06Å; H613-D643 VanDerWaalsContact CE1-OD2 3.3Å; H613-D643 WeakPolarHBondContact ND1-CB 3.25Å; H613-D643 IonicContact ND1-OD2 3.18Å; H613-D643 PolarHBondContact ND1-OD2 3.35Å; H613-D643 VanDerWaalsContact ND1-OD2 3.1Å; N639-D643 PolarHBondContact O-N 3Å; L640-D643 PolarHBondContact O-N 3.11Å; A641-D643 VanDerWaalsContact C-N 3.35Å; D643-S646 PolarHBondContact O-OG 3.03Å; D643-S646 VanDerWaalsContact O-OG 3.12Å |
| 644 | A | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | S610 H613 L614 L640 A641 S646 S647 F656 | S610-A644 PolarHBondContact OG-O 3.04Å; H613-A644 HydrophobicContact CB-CB 4.47Å; L614-A644 VanDerWaalsContact CA-CB 3.48Å; L614-A644 HydrophobicContact CB-CB 3.72Å; L614-A644 HydrophobicContact CG-CB 4.44Å; L640-A644 WeakPolarHBondContact O-CB 3.43Å; L640-A644 PolarHBondContact O-N 3.27Å; A641-A644 PolarHBondContact O-N 3.22Å; A644-S646 PolarHBondContact O-N 3.41Å; A644-S647 WeakPolarHBondContact O-CB 3.34Å; A644-S647 PolarHBondContact O-N 3.05Å; A644-S647 PolarHBondContact O-OG 3.06Å; A644-F656 HydrophobicContact CB-CD2 4.47Å; A644-F656 HydrophobicContact CB-CE2 3.63Å; A644-F656 HydrophobicContact CB-CZ 4.04Å |
| 645 | V | 89.4 | Confident | 88.1 | Confident | 0.333333 Ų | 0.333333 | 28 Ų | 28 | 0% | 0.002 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -57.5 | -29.6 | -171 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | A641 M642 S647 L648 F656 I685 R688 L689 | A641-V645 PolarHBondContact O-N 3.41Å; M642-V645 WeakPolarHBondContact O-CG1 3.34Å; V645-S647 VanDerWaalsContact C-N 3.31Å; V645-S647 PolarHBondContact O-N 3.16Å; V645-L648 HydrophobicContact CB-CD1 4.47Å; V645-L648 HydrophobicContact CG2-CD1 3.86Å; V645-L648 VanDerWaalsContact O-CB 3.31Å; V645-L648 WeakPolarHBondContact O-CB 3.38Å; V645-L648 WeakPolarHBondContact O-CG 3.26Å; V645-L648 PolarHBondContact O-N 3.36Å; V645-F656 HydrophobicContact CB-CE1 4.31Å; V645-F656 HydrophobicContact CB-CZ 4.43Å; V645-F656 HydrophobicContact CG2-CE1 4.42Å; V645-I685 HydrophobicContact CB-CG2 4.23Å; V645-I685 HydrophobicContact CG1-CG1 4.38Å; V645-I685 HydrophobicContact CG2-CG2 4.07Å; V645-R688 VanDerWaalsContact CG1-NH1 3.28Å; V645-R688 HydrophobicContact CG2-CB 4.33Å; V645-L689 HydrophobicContact CG2-CD2 4.36Å |
| 646 | S | 85.1 | Confident | 88.6 | Confident | 10.3333 Ų | 10.3333 | 24.1 Ų | 24.1 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -67.2 | -27.5 | 177.6 | 60.6 | 0 | 0 | 0 | 0 | 114 | S610 D643 A644 L648 F1179 | S610-S646 PolarHBondContact OG-OG 3.22Å; D643-S646 PolarHBondContact O-OG 3.03Å; D643-S646 VanDerWaalsContact O-OG 3.12Å; A644-S646 PolarHBondContact O-N 3.41Å; S646-L648 VanDerWaalsContact C-N 3.26Å; S646-L648 PolarHBondContact O-N 3.26Å; S646-F1179 WeakPolarHBondContact O-CD2 3.28Å; S646-F1179 VanDerWaalsContact OG-CE2 3.24Å; S646-F1179 WeakPolarHBondContact OG-CE2 3.26Å |
| 647 | S | 89.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -75.1 | -11.6 | 176.7 | 67.7 | 0 | 0 | 0 | 0 | 114 | S610 L614 A644 V645 E649 I650 I651 | S610-S647 VanDerWaalsContact OG-CB 3.3Å; S610-S647 WeakPolarHBondContact OG-CB 3.34Å; S610-S647 PolarHBondContact OG-N 3.12Å; L614-S647 WeakPolarHBondContact CD1-OG 3.26Å; A644-S647 WeakPolarHBondContact O-CB 3.34Å; A644-S647 PolarHBondContact O-N 3.05Å; A644-S647 PolarHBondContact O-OG 3.06Å; V645-S647 VanDerWaalsContact C-N 3.31Å; V645-S647 PolarHBondContact O-N 3.16Å; S647-E649 VanDerWaalsContact C-N 3.26Å; S647-E649 PolarHBondContact O-N 3.08Å; S647-I650 PolarHBondContact O-N 3.3Å; S647-I651 PolarHBondContact O-N 3.04Å |
| 648 | L | 88.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -26.5 | -177.6 | -67.1 | 179.1 | 0 | 0 | 0 | 113.7 | L614 V645 S646 I650 G652 F656 L689 L694 I697 | L614-L648 HydrophobicContact CD1-CD2 3.74Å; V645-L648 HydrophobicContact CB-CD1 4.47Å; V645-L648 HydrophobicContact CG2-CD1 3.86Å; V645-L648 VanDerWaalsContact O-CB 3.31Å; V645-L648 WeakPolarHBondContact O-CB 3.38Å; V645-L648 WeakPolarHBondContact O-CG 3.26Å; V645-L648 PolarHBondContact O-N 3.36Å; S646-L648 VanDerWaalsContact C-N 3.26Å; S646-L648 PolarHBondContact O-N 3.26Å; L648-I650 PolarHBondContact O-N 3.28Å; L648-G652 VanDerWaalsContact O-CA 3.28Å; L648-G652 WeakPolarHBondContact O-CA 3.25Å; L648-G652 PolarHBondContact O-N 3.22Å; L648-F656 HydrophobicContact CD1-CD1 3.57Å; L648-F656 HydrophobicContact CD1-CE1 3.84Å; L648-F656 HydrophobicContact CD1-CG 4.48Å; L648-F656 HydrophobicContact CD2-CB 3.95Å; L648-F656 HydrophobicContact CD2-CD1 3.89Å; L648-F656 HydrophobicContact CD2-CG 4Å; L648-F656 HydrophobicContact CG-CD1 4.19Å; L648-L689 HydrophobicContact CD1-CD2 3.48Å; L648-L689 VanDerWaalsContact CD1-CD2 3.48Å; L648-L694 WeakPolarHBondContact O-CD1 3.35Å; L648-I697 HydrophobicContact CB-CD1 3.8Å; L648-I697 HydrophobicContact CD1-CD1 4.3Å; L648-I697 HydrophobicContact CD2-CD1 4.47Å; L648-I697 HydrophobicContact CG-CD1 4.43Å |
| 649 | E | 83.7 | Confident | 89.5 | Confident | 34 Ų | 34 | 20.2 Ų | 20.2 | 16% | 0.159 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.6 | -34.2 | 172.1 | -142 | -177.2 | 176.1 | 0 | 0 | 111.4 | S647 R688 G1177 H1180 S1183 | S647-E649 VanDerWaalsContact C-N 3.26Å; S647-E649 PolarHBondContact O-N 3.08Å; E649-R688 IonicContact OE1-NH2 3.77Å; E649-G1177 WeakPolarHBondContact OE1-CA 3.2Å; E649-G1177 VanDerWaalsContact OE2-CA 3.29Å; E649-G1177 WeakPolarHBondContact OE2-CA 3.32Å; E649-H1180 WeakPolarHBondContact OE1-CA 3.21Å; E649-H1180 WeakPolarHBondContact OE1-CB 3.41Å; E649-H1180 IonicContact OE1-CG 3.79Å; E649-H1180 IonicContact OE1-ND1 3.22Å; E649-H1180 PolarHBondContact OE1-ND1 3.46Å; E649-H1180 PolarHBondContact OE2-N 3.42Å; E649-S1183 PolarHBondContact OE1-OG 3.17Å; E649-S1183 VanDerWaalsContact OE1-OG 3.11Å |
| 650 | I | 85.5 | Confident | 89.7 | Confident | 13 Ų | 13 | 17.5 Ų | 17.5 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -95.7 | -48.5 | -177.9 | -64.5 | 174 | 0 | 0 | 0 | 110.6 | L607 S647 L648 F1179 F1206 F1260 | L607-I650 HydrophobicContact CD1-CD1 3.78Å; L607-I650 HydrophobicContact CD2-CD1 3.58Å; L607-I650 HydrophobicContact CG-CD1 4.33Å; S647-I650 PolarHBondContact O-N 3.3Å; L648-I650 PolarHBondContact O-N 3.28Å; I650-F1179 HydrophobicContact CD1-CB 3.73Å; I650-F1179 HydrophobicContact CD1-CG 4.47Å; I650-F1206 HydrophobicContact CD1-CE1 4.15Å; I650-F1206 HydrophobicContact CD1-CE2 4.41Å; I650-F1206 HydrophobicContact CD1-CZ 3.86Å; I650-F1206 HydrophobicContact CG2-CD2 4.12Å; I650-F1206 HydrophobicContact CG2-CE2 4.22Å; I650-F1206 HydrophobicContact CG2-CG 4.35Å; I650-F1206 HydrophobicContact CG2-CZ 4.5Å; I650-F1260 HydrophobicContact CG2-CE1 4.24Å; I650-F1260 HydrophobicContact CG2-CZ 3.95Å; I650-F1260 WeakPolarHBondContact O-CZ 3.12Å |
| 651 | I | 87.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -78.7 | -34.6 | -173.6 | -65.5 | 172.5 | 0 | 0 | 0 | 112.7 | I611 L614 S647 S653 W1210 S1254 F1256 F1260 | I611-I651 HydrophobicContact CB-CD1 4.06Å; I611-I651 HydrophobicContact CD1-CD1 3.7Å; I611-I651 HydrophobicContact CD1-CG1 4.09Å; I611-I651 HydrophobicContact CG1-CD1 3.44Å; I611-I651 VanDerWaalsContact CG1-CD1 3.44Å; I611-I651 HydrophobicContact CG1-CG1 4.33Å; I611-I651 HydrophobicContact CG2-CD1 3.77Å; L614-I651 HydrophobicContact CD1-CD1 3.97Å; L614-I651 HydrophobicContact CD2-CD1 4.43Å; S647-I651 PolarHBondContact O-N 3.04Å; I651-S653 VanDerWaalsContact C-N 3.29Å; I651-S653 PolarHBondContact O-N 3.12Å; I651-W1210 HydrophobicContact CD1-CE3 4.01Å; I651-W1210 HydrophobicContact CD1-CZ3 3.79Å; I651-W1210 HydrophobicContact CG1-CE3 4.21Å; I651-W1210 HydrophobicContact CG1-CZ3 4.15Å; I651-W1210 HydrophobicContact CG2-CE3 4.33Å; I651-W1210 HydrophobicContact CG2-CH2 3.97Å; I651-W1210 HydrophobicContact CG2-CZ3 3.62Å; I651-S1254 PolarHBondContact O-OG 3.18Å; I651-F1256 WeakPolarHBondContact O-CD2 3.41Å; I651-F1260 HydrophobicContact CG1-CZ 4.41Å |
| 652 | G | 86.7 | Confident | 89.7 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | trans | 63.4 | 27.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | L648 T654 P1255 | L648-G652 VanDerWaalsContact O-CA 3.28Å; L648-G652 WeakPolarHBondContact O-CA 3.25Å; L648-G652 PolarHBondContact O-N 3.22Å; G652-T654 PolarHBondContact O-N 3.15Å; G652-P1255 WeakPolarHBondContact O-CD 3.23Å; G652-P1255 WeakPolarHBondContact O-CG 3.29Å | ||
| 653 | S | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -63.4 | 102.1 | -175.4 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | I651 R655 F656 Y1253 | I651-S653 VanDerWaalsContact C-N 3.29Å; I651-S653 PolarHBondContact O-N 3.12Å; S653-R655 VanDerWaalsContact C-N 3.26Å; S653-R655 PolarHBondContact O-N 3.21Å; S653-F656 PolarHBondContact O-N 3.1Å; S653-F656 PolarHBondContact OG-N 3.08Å; S653-F656 VanDerWaalsContact OG-N 3.14Å; S653-Y1253 WeakPolarHBondContact CB-O 3.43Å; S653-Y1253 PolarHBondContact OG-O 3.22Å | ||
| 654 | T | 91.1 | Very high | 89.7 | Confident | 48 Ų | 48 | 12.7 Ų | 12.7 | 29% | 0.294 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -68.6 | -27.9 | 173 | 54.8 | 0 | 0 | 0 | 0 | 112 | G652 A657 S658 A696 A700 P1255 | G652-T654 PolarHBondContact O-N 3.15Å; T654-A657 WeakPolarHBondContact O-CB 3.46Å; T654-A657 PolarHBondContact O-N 3.02Å; T654-S658 PolarHBondContact O-N 3.26Å; T654-S658 VanDerWaalsContact O-N 3.13Å; T654-A696 HydrophobicContact CG2-CB 3.81Å; T654-A696 WeakPolarHBondContact CG2-O 3.28Å; T654-A700 HydrophobicContact CG2-CB 4.31Å; T654-P1255 HydrophobicContact CG2-CG 4.49Å |
| 655 | R | 91.2 | Very high | 89.4 | Confident | 64.3333 Ų | 64.3333 | 12.9 Ų | 12.9 | 24% | 0.243 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.8 | -38.6 | 176 | -168.8 | 176.4 | -173.7 | 138.3 | -5.2 | 112 | L618 E622 S653 A657 S658 N659 E1252 | L618-R655 HydrophobicContact CD2-CB 4.49Å; L618-R655 HydrophobicContact CD2-CG 4.17Å; E622-R655 IonicContact OE1-CZ 3.91Å; E622-R655 IonicContact OE1-NE 3.45Å; E622-R655 PolarHBondContact OE1-NE 3.19Å; E622-R655 IonicContact OE1-NH1 3.85Å; E622-R655 IonicContact OE1-NH2 3.15Å; E622-R655 PolarHBondContact OE1-NH2 3.19Å; E622-R655 IonicContact OE2-CZ 3.81Å; E622-R655 IonicContact OE2-NH2 3.73Å; E622-R655 PolarHBondContact OE2-NH2 3.01Å; S653-R655 VanDerWaalsContact C-N 3.26Å; S653-R655 PolarHBondContact O-N 3.21Å; R655-A657 VanDerWaalsContact C-N 3.28Å; R655-A657 PolarHBondContact O-N 3.31Å; R655-S658 WeakPolarHBondContact CA-OG 3.33Å; R655-S658 PolarHBondContact O-N 3Å; R655-S658 PolarHBondContact O-OG 3.02Å; R655-N659 VanDerWaalsContact O-CB 3.29Å; R655-N659 WeakPolarHBondContact O-CB 3.32Å; R655-N659 VanDerWaalsContact O-CG 3.25Å; R655-N659 PolarHBondContact O-N 2.99Å; R655-N659 PolarHBondContact O-OD1 3.16Å; R655-N659 VanDerWaalsContact O-OD1 3.09Å; R655-E1252 IonicContact CZ-OE2 3.13Å; R655-E1252 IonicContact NH1-OE2 3.27Å; R655-E1252 PolarHBondContact NH1-OE2 3.14Å; R655-E1252 IonicContact NH2-OE2 3.76Å |
| 656 | F | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 172.2 | 178.1 | -86 | 0 | 0 | 0 | 110.7 | L614 F617 L618 A641 A644 V645 L648 S653 S658 N659 F660 L689 | L614-F656 HydrophobicContact CD1-CD2 4.29Å; L614-F656 HydrophobicContact CD1-CG 4.45Å; L614-F656 HydrophobicContact CG-CD2 4.05Å; F617-F656 HydrophobicContact CB-CE2 4.45Å; F617-F656 AromaticContact CD1-CD2 3.56Å; F617-F656 HydrophobicContact CD1-CD2 3.56Å; F617-F656 AromaticContact CD1-CE2 3.41Å; F617-F656 HydrophobicContact CD1-CE2 3.41Å; F617-F656 VanDerWaalsContact CD1-CE2 3.42Å; F617-F656 HydrophobicContact CD1-CZ 4.39Å; F617-F656 HydrophobicContact CE1-CD2 4.01Å; F617-F656 AromaticContact CE1-CE2 3.86Å; F617-F656 HydrophobicContact CE1-CE2 3.86Å; F617-F656 HydrophobicContact CE1-CZ 4.48Å; F617-F656 HydrophobicContact CG-CD2 4.49Å; F617-F656 HydrophobicContact CG-CE2 4.02Å; L618-F656 HydrophobicContact CD2-CB 4.3Å; A641-F656 HydrophobicContact CB-CE2 4.44Å; A641-F656 HydrophobicContact CB-CZ 4.11Å; A644-F656 HydrophobicContact CB-CD2 4.47Å; A644-F656 HydrophobicContact CB-CE2 3.63Å; A644-F656 HydrophobicContact CB-CZ 4.04Å; V645-F656 HydrophobicContact CB-CE1 4.31Å; V645-F656 HydrophobicContact CB-CZ 4.43Å; V645-F656 HydrophobicContact CG2-CE1 4.42Å; L648-F656 HydrophobicContact CD1-CD1 3.57Å; L648-F656 HydrophobicContact CD1-CE1 3.84Å; L648-F656 HydrophobicContact CD1-CG 4.48Å; L648-F656 HydrophobicContact CD2-CB 3.95Å; L648-F656 HydrophobicContact CD2-CD1 3.89Å; L648-F656 HydrophobicContact CD2-CG 4Å; L648-F656 HydrophobicContact CG-CD1 4.19Å; S653-F656 PolarHBondContact O-N 3.1Å; S653-F656 PolarHBondContact OG-N 3.08Å; S653-F656 VanDerWaalsContact OG-N 3.14Å; F656-S658 PolarHBondContact O-N 3.04Å; F656-N659 PolarHBondContact O-N 3.05Å; F656-F660 HydrophobicContact CE1-CB 4.3Å; F656-F660 WeakPolarHBondContact O-CB 3.47Å; F656-F660 PolarHBondContact O-N 3.11Å; F656-L689 HydrophobicContact CD1-CD2 4.35Å; F656-L689 HydrophobicContact CE1-CD2 4.37Å |
| 657 | A | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.1 | -46.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T654 R655 V661 L689 I697 A700 | T654-A657 WeakPolarHBondContact O-CB 3.46Å; T654-A657 PolarHBondContact O-N 3.02Å; R655-A657 VanDerWaalsContact C-N 3.28Å; R655-A657 PolarHBondContact O-N 3.31Å; A657-V661 VanDerWaalsContact O-CG2 3.32Å; A657-V661 WeakPolarHBondContact O-CG2 3.38Å; A657-V661 PolarHBondContact O-N 3.21Å; A657-L689 HydrophobicContact CB-CD1 4.46Å; A657-L689 HydrophobicContact CB-CD2 4.16Å; A657-I697 HydrophobicContact CB-CG2 4.08Å; A657-A700 HydrophobicContact CB-CB 4.18Å |
| 658 | S | 92.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 17.3 Ų | 17.3 | 17% | 0.168 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.2 | -47.9 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | T654 R655 F656 F660 V661 E662 Q704 | T654-S658 PolarHBondContact O-N 3.26Å; T654-S658 VanDerWaalsContact O-N 3.13Å; R655-S658 WeakPolarHBondContact CA-OG 3.33Å; R655-S658 PolarHBondContact O-N 3Å; R655-S658 PolarHBondContact O-OG 3.02Å; F656-S658 PolarHBondContact O-N 3.04Å; S658-F660 VanDerWaalsContact C-N 3.28Å; S658-F660 PolarHBondContact O-N 3.28Å; S658-V661 PolarHBondContact O-N 3.46Å; S658-E662 PolarHBondContact O-N 3.38Å; S658-Q704 WeakPolarHBondContact O-CG 3.44Å |
| 659 | N | 92.1 | Very high | 88.2 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 8% | 0.075 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.4 | -32.2 | -175.5 | -68.8 | 25.4 | 0 | 0 | 0 | 111.3 | F617 L618 S621 R655 F656 E662 F663 | F617-N659 HydrophobicContact CE1-CB 4.49Å; L618-N659 HydrophobicContact CD2-CB 4.24Å; S621-N659 PolarHBondContact OG-ND2 3.37Å; R655-N659 VanDerWaalsContact O-CB 3.29Å; R655-N659 WeakPolarHBondContact O-CB 3.32Å; R655-N659 VanDerWaalsContact O-CG 3.25Å; R655-N659 PolarHBondContact O-N 2.99Å; R655-N659 PolarHBondContact O-OD1 3.16Å; R655-N659 VanDerWaalsContact O-OD1 3.09Å; F656-N659 PolarHBondContact O-N 3.05Å; N659-E662 PolarHBondContact O-N 3.16Å; N659-F663 VanDerWaalsContact O-CB 3.25Å; N659-F663 WeakPolarHBondContact O-CB 3.37Å; N659-F663 PolarHBondContact O-N 3.11Å |
| 660 | F | 93.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | 176 | -177.2 | -96.1 | 0 | 0 | 0 | 112.9 | F617 L638 A641 F656 S658 E662 F663 L664 I685 L686 L689 | F617-F660 HydrophobicContact CE1-CB 4.14Å; F617-F660 HydrophobicContact CE1-CD2 4.39Å; F617-F660 HydrophobicContact CE2-CD2 4.34Å; F617-F660 HydrophobicContact CZ-CB 4.15Å; F617-F660 AromaticContact CZ-CD2 3.81Å; F617-F660 HydrophobicContact CZ-CD2 3.81Å; F617-F660 HydrophobicContact CZ-CG 4.47Å; L638-F660 HydrophobicContact CD1-CE2 4.14Å; L638-F660 HydrophobicContact CD1-CZ 4.3Å; A641-F660 HydrophobicContact CB-CD2 3.69Å; A641-F660 HydrophobicContact CB-CE2 3.63Å; F656-F660 HydrophobicContact CE1-CB 4.3Å; F656-F660 WeakPolarHBondContact O-CB 3.47Å; F656-F660 PolarHBondContact O-N 3.11Å; S658-F660 VanDerWaalsContact C-N 3.28Å; S658-F660 PolarHBondContact O-N 3.28Å; F660-E662 VanDerWaalsContact C-N 3.29Å; F660-E662 PolarHBondContact O-N 3.19Å; F660-F663 HydrophobicContact CD2-CD1 4.19Å; F660-F663 HydrophobicContact CE2-CD1 4.11Å; F660-F663 HydrophobicContact CE2-CE1 4.46Å; F660-F663 PolarHBondContact O-N 3.27Å; F660-L664 HydrophobicContact CE1-CB 4.26Å; F660-L664 HydrophobicContact CE1-CD2 4Å; F660-L664 HydrophobicContact CZ-CB 4.41Å; F660-L664 HydrophobicContact CZ-CD2 4.4Å; F660-L664 VanDerWaalsContact O-CB 3.31Å; F660-L664 WeakPolarHBondContact O-CB 3.33Å; F660-L664 PolarHBondContact O-N 3.09Å; F660-I685 HydrophobicContact CD1-CB 4.48Å; F660-I685 HydrophobicContact CD1-CG2 3.75Å; F660-I685 HydrophobicContact CD2-CG2 4.1Å; F660-I685 HydrophobicContact CE1-CB 3.64Å; F660-I685 HydrophobicContact CE1-CG2 3.38Å; F660-I685 HydrophobicContact CE2-CB 4.14Å; F660-I685 HydrophobicContact CE2-CD1 3.69Å; F660-I685 HydrophobicContact CE2-CG2 3.78Å; F660-I685 HydrophobicContact CG-CG2 4.09Å; F660-I685 HydrophobicContact CZ-CB 3.44Å; F660-I685 VanDerWaalsContact CZ-CB 3.44Å; F660-I685 HydrophobicContact CZ-CD1 3.66Å; F660-I685 HydrophobicContact CZ-CG1 4.15Å; F660-I685 HydrophobicContact CZ-CG2 3.42Å; F660-I685 VanDerWaalsContact CZ-CG2 3.42Å; F660-L686 HydrophobicContact CE1-CB 4.43Å; F660-L689 HydrophobicContact CB-CD1 4.14Å; F660-L689 HydrophobicContact CD1-CD1 3.56Å; F660-L689 HydrophobicContact CE1-CD1 4.41Å; F660-L689 HydrophobicContact CG-CD1 4.13Å |
| 661 | V | 91.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | A657 S658 L664 S665 L686 T701 Q704 I705 L708 F730 | A657-V661 VanDerWaalsContact O-CG2 3.32Å; A657-V661 WeakPolarHBondContact O-CG2 3.38Å; A657-V661 PolarHBondContact O-N 3.21Å; S658-V661 PolarHBondContact O-N 3.46Å; V661-L664 PolarHBondContact O-N 3.25Å; V661-S665 WeakPolarHBondContact O-CB 3.38Å; V661-S665 PolarHBondContact O-N 2.93Å; V661-L686 HydrophobicContact CG2-CD1 3.88Å; V661-T701 HydrophobicContact CG2-CG2 3.84Å; V661-Q704 HydrophobicContact CB-CB 4.3Å; V661-Q704 HydrophobicContact CB-CG 3.97Å; V661-Q704 HydrophobicContact CG1-CB 4.39Å; V661-Q704 HydrophobicContact CG1-CG 4.14Å; V661-I705 HydrophobicContact CG1-CG1 3.65Å; V661-I705 HydrophobicContact CG2-CG1 4.31Å; V661-L708 HydrophobicContact CG1-CD1 3.58Å; V661-F730 HydrophobicContact CG1-CE2 4.47Å; V661-F730 HydrophobicContact CG1-CZ 4.07Å |
| 662 | E | 88.6 | Confident | 86.4 | Confident | 47.3333 Ų | 47.3333 | 29 Ų | 29 | 22% | 0.221 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 176.4 | -173.7 | 162 | -167.7 | 0 | 0 | 112.3 | L625 S658 N659 F660 L664 S665 Q666 Q704 | L625-E662 VanDerWaalsContact CD2-CD 3.41Å; L625-E662 HydrophobicContact CD2-CG 4.19Å; L625-E662 VanDerWaalsContact CD2-OE1 3.25Å; L625-E662 WeakPolarHBondContact CD2-OE1 3.44Å; S658-E662 PolarHBondContact O-N 3.38Å; N659-E662 PolarHBondContact O-N 3.16Å; F660-E662 VanDerWaalsContact C-N 3.29Å; F660-E662 PolarHBondContact O-N 3.19Å; E662-L664 PolarHBondContact O-N 3.23Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.25Å; E662-Q666 WeakPolarHBondContact O-CG 3.33Å; E662-Q666 PolarHBondContact O-N 2.9Å; E662-Q666 VanDerWaalsContact O-N 3.08Å; E662-Q704 PolarHBondContact OE2-NE2 3.22Å; E662-Q704 VanDerWaalsContact OE2-NE2 3.15Å |
| 663 | F | 88.9 | Confident | 85.5 | Confident | 10.3333 Ų | 10.3333 | 37 Ų | 37 | 5% | 0.045 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.6 | -47 | 173 | 167.9 | -97.4 | 0 | 0 | 0 | 111.8 | F617 I633 N637 L638 N659 F660 S665 Q666 F667 | F617-F663 HydrophobicContact CE2-CB 4.35Å; F617-F663 AromaticContact CE2-CD1 3.93Å; F617-F663 HydrophobicContact CE2-CD1 3.93Å; F617-F663 HydrophobicContact CE2-CD2 4.24Å; F617-F663 HydrophobicContact CE2-CE1 4.31Å; F617-F663 AromaticContact CE2-CG 3.9Å; F617-F663 HydrophobicContact CE2-CG 3.9Å; F617-F663 HydrophobicContact CZ-CB 3.93Å; F617-F663 HydrophobicContact CZ-CD1 4.12Å; F617-F663 AromaticContact CZ-CG 3.97Å; F617-F663 HydrophobicContact CZ-CG 3.97Å; I633-F663 HydrophobicContact CG2-CD2 4.38Å; I633-F663 HydrophobicContact CG2-CE2 3.84Å; I633-F663 HydrophobicContact CG2-CZ 4.46Å; N637-F663 HydrophobicContact CB-CE2 3.62Å; N637-F663 HydrophobicContact CB-CZ 3.65Å; L638-F663 HydrophobicContact CB-CE1 4.32Å; L638-F663 HydrophobicContact CB-CZ 4.42Å; L638-F663 HydrophobicContact CD1-CE1 4.18Å; N659-F663 VanDerWaalsContact O-CB 3.25Å; N659-F663 WeakPolarHBondContact O-CB 3.37Å; N659-F663 PolarHBondContact O-N 3.11Å; F660-F663 HydrophobicContact CD2-CD1 4.19Å; F660-F663 HydrophobicContact CE2-CD1 4.11Å; F660-F663 HydrophobicContact CE2-CE1 4.46Å; F660-F663 PolarHBondContact O-N 3.27Å; F663-S665 VanDerWaalsContact C-N 3.32Å; F663-S665 PolarHBondContact O-N 3Å; F663-Q666 PolarHBondContact O-N 3.18Å; F663-F667 HydrophobicContact CE1-CB 4.38Å; F663-F667 HydrophobicContact CE1-CD2 4.31Å; F663-F667 HydrophobicContact CE1-CG 4.49Å; F663-F667 HydrophobicContact CE2-CD2 4.41Å; F663-F667 HydrophobicContact CZ-CB 4.39Å; F663-F667 AromaticContact CZ-CD2 3.8Å; F663-F667 HydrophobicContact CZ-CD2 3.8Å; F663-F667 HydrophobicContact CZ-CG 4.39Å; F663-F667 VanDerWaalsContact O-CB 3.24Å; F663-F667 WeakPolarHBondContact O-CB 3.31Å; F663-F667 PolarHBondContact O-N 3.39Å |
| 664 | L | 88.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | -178.7 | -177 | 60.6 | 0 | 0 | 0 | 111.3 | F660 V661 E662 F667 Y668 L686 F730 | F660-L664 HydrophobicContact CE1-CB 4.26Å; F660-L664 HydrophobicContact CE1-CD2 4Å; F660-L664 HydrophobicContact CZ-CB 4.41Å; F660-L664 HydrophobicContact CZ-CD2 4.4Å; F660-L664 VanDerWaalsContact O-CB 3.31Å; F660-L664 WeakPolarHBondContact O-CB 3.33Å; F660-L664 PolarHBondContact O-N 3.09Å; V661-L664 PolarHBondContact O-N 3.25Å; E662-L664 PolarHBondContact O-N 3.23Å; L664-F667 PolarHBondContact O-N 3.14Å; L664-Y668 WeakPolarHBondContact O-CB 3.4Å; L664-Y668 PolarHBondContact O-N 3.12Å; L664-L686 HydrophobicContact CD2-CB 4.08Å; L664-L686 HydrophobicContact CD2-CD2 4.23Å; L664-F730 HydrophobicContact CD2-CD2 3.48Å; L664-F730 VanDerWaalsContact CD2-CD2 3.48Å; L664-F730 HydrophobicContact CD2-CE2 3.83Å; L664-F730 HydrophobicContact CD2-CG 4.26Å; L664-F730 HydrophobicContact CG-CB 4.45Å; L664-F730 HydrophobicContact CG-CD2 3.85Å; L664-F730 HydrophobicContact CG-CE2 4.28Å; L664-F730 HydrophobicContact CG-CG 4.16Å |
| 665 | S | 86.5 | Confident | 83.3 | Confident | 3.66667 Ų | 3.66667 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 174 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | V661 E662 F663 Y668 V669 T727 | V661-S665 WeakPolarHBondContact O-CB 3.38Å; V661-S665 PolarHBondContact O-N 2.93Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.25Å; F663-S665 VanDerWaalsContact C-N 3.32Å; F663-S665 PolarHBondContact O-N 3Å; S665-Y668 PolarHBondContact O-N 3.34Å; S665-V669 WeakPolarHBondContact O-CG2 3.36Å; S665-V669 PolarHBondContact O-N 3.24Å; S665-T727 WeakPolarHBondContact CB-O 3.42Å; S665-T727 WeakPolarHBondContact OG-CA 3.49Å; S665-T727 VanDerWaalsContact OG-CB 3.29Å; S665-T727 WeakPolarHBondContact OG-CB 3.17Å; S665-T727 PolarHBondContact OG-O 3.27Å |
| 666 | Q | 84.1 | Confident | 82.5 | Confident | 62.3333 Ų | 62.3333 | 41.1 Ų | 41.1 | 29% | 0.291 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.6 | -37.9 | 178.3 | -63.4 | 172.6 | 4.2 | 0 | 0 | 112.3 | I633 E662 F663 Y668 V669 K670 | I633-Q666 HydrophobicContact CD1-CB 3.59Å; I633-Q666 HydrophobicContact CD1-CG 4.44Å; I633-Q666 VanDerWaalsContact CD1-OE1 3.23Å; E662-Q666 WeakPolarHBondContact O-CG 3.33Å; E662-Q666 PolarHBondContact O-N 2.9Å; E662-Q666 VanDerWaalsContact O-N 3.08Å; F663-Q666 PolarHBondContact O-N 3.18Å; Q666-Y668 VanDerWaalsContact C-N 3.35Å; Q666-Y668 PolarHBondContact O-N 3.19Å; Q666-V669 PolarHBondContact O-N 3.03Å; Q666-K670 PolarHBondContact O-N 3.04Å; Q666-K670 VanDerWaalsContact O-N 3.13Å |
| 667 | F | 83.4 | Confident | 81.7 | Confident | 2.33333 Ų | 2.33333 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 176.6 | -174.7 | -86.8 | 0 | 0 | 0 | 110.7 | I633 L638 F663 L664 V669 K670 H671 V678 L679 | I633-F667 HydrophobicContact CG2-CB 3.95Å; I633-F667 HydrophobicContact CG2-CD2 3.76Å; I633-F667 HydrophobicContact CG2-CG 4.32Å; L638-F667 HydrophobicContact CD2-CZ 4.4Å; F663-F667 HydrophobicContact CE1-CB 4.38Å; F663-F667 HydrophobicContact CE1-CD2 4.31Å; F663-F667 HydrophobicContact CE1-CG 4.49Å; F663-F667 HydrophobicContact CE2-CD2 4.41Å; F663-F667 HydrophobicContact CZ-CB 4.39Å; F663-F667 AromaticContact CZ-CD2 3.8Å; F663-F667 HydrophobicContact CZ-CD2 3.8Å; F663-F667 HydrophobicContact CZ-CG 4.39Å; F663-F667 VanDerWaalsContact O-CB 3.24Å; F663-F667 WeakPolarHBondContact O-CB 3.31Å; F663-F667 PolarHBondContact O-N 3.39Å; L664-F667 PolarHBondContact O-N 3.14Å; F667-V669 VanDerWaalsContact C-N 3.34Å; F667-V669 PolarHBondContact O-N 3.09Å; F667-K670 PolarHBondContact O-N 3.01Å; F667-H671 HydrophobicContact CD1-CB 4.35Å; F667-H671 AromaticContact CD2-CD2 3.56Å; F667-H671 HydrophobicContact CE1-CB 4.07Å; F667-H671 AromaticContact CE2-CD2 3.47Å; F667-H671 VanDerWaalsContact CE2-CD2 3.47Å; F667-H671 WeakPolarHBondContact CE2-CD2 3.17Å; F667-H671 AromaticContact CE2-NE2 3.83Å; F667-H671 AromaticContact CG-CD2 3.94Å; F667-H671 HydrophobicContact CZ-CB 4.3Å; F667-H671 AromaticContact CZ-CD2 3.79Å; F667-H671 VanDerWaalsContact O-CB 3.26Å; F667-H671 WeakPolarHBondContact O-CB 3.37Å; F667-H671 PolarHBondContact O-CD2 2.95Å; F667-H671 PolarHBondContact O-N 3.24Å; F667-V678 HydrophobicContact CE1-CG1 3.99Å; F667-V678 HydrophobicContact CZ-CG1 3.71Å; F667-L679 HydrophobicContact CD1-CD2 4.34Å; F667-L679 HydrophobicContact CE1-CD2 4.16Å |
| 668 | Y | 81.4 | Confident | 81.1 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | -179.8 | -163.2 | -87.4 | 0 | 0 | 0 | 112.6 | L664 S665 Q666 L679 N729 F730 | L664-Y668 WeakPolarHBondContact O-CB 3.4Å; L664-Y668 PolarHBondContact O-N 3.12Å; S665-Y668 PolarHBondContact O-N 3.34Å; Q666-Y668 VanDerWaalsContact C-N 3.35Å; Q666-Y668 PolarHBondContact O-N 3.19Å; Y668-L679 HydrophobicContact CD2-CD2 3.82Å; Y668-L679 HydrophobicContact CE2-CD1 4.21Å; Y668-L679 HydrophobicContact CE2-CD2 4.17Å; Y668-N729 HydrophobicContact CD1-CB 3.98Å; Y668-N729 HydrophobicContact CE1-CB 3.37Å; Y668-F730 HydrophobicContact CD2-CB 3.63Å; Y668-F730 HydrophobicContact CE2-CB 4.14Å; Y668-F730 HydrophobicContact CG-CB 3.92Å |
| 669 | V | 78.5 | Confident | 80.6 | Confident | 43.6667 Ų | 43.6667 | 45.4 Ų | 45.4 | 27% | 0.265 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 178 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | S665 Q666 F667 S724 D726 T727 | S665-V669 WeakPolarHBondContact O-CG2 3.36Å; S665-V669 PolarHBondContact O-N 3.24Å; Q666-V669 PolarHBondContact O-N 3.03Å; F667-V669 VanDerWaalsContact C-N 3.34Å; F667-V669 PolarHBondContact O-N 3.09Å; V669-S724 VanDerWaalsContact CG1-OG 3.28Å; V669-S724 WeakPolarHBondContact CG1-OG 3.38Å; V669-D726 HydrophobicContact CG2-CB 4.17Å; V669-T727 HydrophobicContact CG2-CG2 3.75Å |
| 670 | K | 76.2 | Confident | 80.1 | Confident | 88 Ų | 88 | 50 Ų | 50 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74.5 | -32.5 | -177.1 | -170.5 | -179.3 | 174.9 | -168.1 | 0 | 112.8 | N630 I633 Q666 F667 | N630-K670 PolarHBondContact O-NZ 3.2Å; I633-K670 HydrophobicContact CB-CD 4.22Å; I633-K670 PolarHBondContact O-NZ 3.22Å; I633-K670 VanDerWaalsContact O-NZ 3.14Å; Q666-K670 PolarHBondContact O-N 3.04Å; Q666-K670 VanDerWaalsContact O-N 3.13Å; F667-K670 PolarHBondContact O-N 3.01Å |
| 671 | H | 74.5 | Confident | 79.7 | Confident | 42.3333 Ų | 42.3333 | 54.6 Ų | 54.6 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 42.1 | -167.1 | -73.4 | -68.6 | 0 | 0 | 0 | 113 | I633 F667 N673 T674 | I633-H671 PolarHBondContact O-NE2 3.07Å; I633-H671 VanDerWaalsContact O-NE2 3.11Å; F667-H671 HydrophobicContact CD1-CB 4.35Å; F667-H671 AromaticContact CD2-CD2 3.56Å; F667-H671 HydrophobicContact CE1-CB 4.07Å; F667-H671 AromaticContact CE2-CD2 3.47Å; F667-H671 VanDerWaalsContact CE2-CD2 3.47Å; F667-H671 WeakPolarHBondContact CE2-CD2 3.17Å; F667-H671 AromaticContact CE2-NE2 3.83Å; F667-H671 AromaticContact CG-CD2 3.94Å; F667-H671 HydrophobicContact CZ-CB 4.3Å; F667-H671 AromaticContact CZ-CD2 3.79Å; F667-H671 VanDerWaalsContact O-CB 3.26Å; F667-H671 WeakPolarHBondContact O-CB 3.37Å; F667-H671 PolarHBondContact O-CD2 2.95Å; F667-H671 PolarHBondContact O-N 3.24Å; H671-N673 PolarHBondContact O-N 3.13Å; H671-N673 VanDerWaalsContact O-N 3.16Å; H671-T674 VanDerWaalsContact CB-OG1 3.24Å; H671-T674 WeakPolarHBondContact CB-OG1 3.37Å; H671-T674 PolarHBondContact ND1-OG1 3.12Å; H671-T674 VanDerWaalsContact O-CB 3.31Å; H671-T674 WeakPolarHBondContact O-CB 3.21Å; H671-T674 PolarHBondContact O-N 3.44Å; H671-T674 VanDerWaalsContact O-N 3.13Å; H671-T674 PolarHBondContact O-OG1 3.03Å |
| 672 | Q | 68.4 | Low | 79.5 | Confident | 117.667 Ų | 117.667 | 54.6 Ų | 54.6 | 55% | 0.55 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.3 | -178.8 | -66.4 | -174.7 | -5.9 | 0 | 0 | 113.8 | D726 | Q672-D726 PolarHBondContact NE2-OD2 3.18Š|
| 673 | N | 66.5 | Low | 79.5 | Confident | 168 Ų | 168 | 52.8 Ų | 52.8 | 90% | 0.898 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.6 | -178.7 | -69.5 | -24.7 | 0 | 0 | 0 | 114.2 | H671 | H671-N673 PolarHBondContact O-N 3.13Å; H671-N673 VanDerWaalsContact O-N 3.16Å |
| 674 | T | 67.7 | Low | 79.4 | Confident | 41.3333 Ų | 41.3333 | 54.4 Ų | 54.4 | 25% | 0.254 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -78.7 | 156.4 | -174 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | H671 S676 V678 | H671-T674 VanDerWaalsContact CB-OG1 3.24Å; H671-T674 WeakPolarHBondContact CB-OG1 3.37Å; H671-T674 PolarHBondContact ND1-OG1 3.12Å; H671-T674 VanDerWaalsContact O-CB 3.31Å; H671-T674 WeakPolarHBondContact O-CB 3.21Å; H671-T674 PolarHBondContact O-N 3.44Å; H671-T674 VanDerWaalsContact O-N 3.13Å; H671-T674 PolarHBondContact O-OG1 3.03Å; T674-S676 PolarHBondContact O-N 3.34Å; T674-V678 HydrophobicContact CG2-CB 3.82Å; T674-V678 HydrophobicContact CG2-CG1 3.91Å; T674-V678 HydrophobicContact CG2-CG2 4.21Å |
| 675 | S | 68.7 | Low | 79.5 | Confident | 61.3333 Ų | 61.3333 | 54.4 Ų | 54.4 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | trans | -57.4 | 138.7 | -179.7 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | T677 V678 L679 | S675-T677 PolarHBondContact O-N 2.9Å; S675-T677 PolarHBondContact OG-OG1 3.36Å; S675-V678 PolarHBondContact O-N 3.25Å; S675-V678 VanDerWaalsContact OG-CG2 3.27Å; S675-V678 WeakPolarHBondContact OG-CG2 3.43Å; S675-L679 PolarHBondContact O-N 3.22Å | ||
| 676 | S | 74.7 | Confident | 79.8 | Confident | 97.6667 Ų | 97.6667 | 54.2 Ų | 54.2 | 68% | 0.683 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -55.4 | -26.3 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | T674 W680 | T674-S676 PolarHBondContact O-N 3.34Å; S676-W680 VanDerWaalsContact O-CB 3.23Å; S676-W680 WeakPolarHBondContact O-CB 3.35Å; S676-W680 PolarHBondContact O-N 3.1Å |
| 677 | T | 76.1 | Confident | 80 | Confident | 83.3333 Ų | 83.3333 | 51.6 Ų | 51.6 | 51% | 0.511 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 176.7 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | S675 R681 | S675-T677 PolarHBondContact O-N 2.9Å; S675-T677 PolarHBondContact OG-OG1 3.36Å; T677-R681 WeakPolarHBondContact O-CG 3.29Å; T677-R681 PolarHBondContact O-N 3.04Å |
| 678 | V | 80.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.2 | -45.9 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | E635 L638 F667 T674 S675 W680 R681 G682 | E635-V678 HydrophobicContact CG-CG1 4.18Å; E635-V678 HydrophobicContact CG-CG2 4.42Å; E635-V678 WeakPolarHBondContact OE1-CG2 3.42Å; L638-V678 HydrophobicContact CD2-CG1 3.63Å; L638-V678 WeakPolarHBondContact CD2-O 3.44Å; F667-V678 HydrophobicContact CE1-CG1 3.99Å; F667-V678 HydrophobicContact CZ-CG1 3.71Å; T674-V678 HydrophobicContact CG2-CB 3.82Å; T674-V678 HydrophobicContact CG2-CG1 3.91Å; T674-V678 HydrophobicContact CG2-CG2 4.21Å; S675-V678 PolarHBondContact O-N 3.25Å; S675-V678 VanDerWaalsContact OG-CG2 3.27Å; S675-V678 WeakPolarHBondContact OG-CG2 3.43Å; V678-W680 VanDerWaalsContact C-N 3.25Å; V678-W680 PolarHBondContact O-N 3.36Å; V678-R681 WeakPolarHBondContact O-CB 3.13Å; V678-R681 PolarHBondContact O-N 3.18Å; V678-G682 PolarHBondContact O-N 3.19Å |
| 679 | L | 81.5 | Confident | 80.8 | Confident | 26.6667 Ų | 26.6667 | 51.6 Ų | 51.6 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 174 | -67.9 | 176.8 | 0 | 0 | 0 | 111.1 | F667 Y668 S675 R681 G682 H683 | F667-L679 HydrophobicContact CD1-CD2 4.34Å; F667-L679 HydrophobicContact CE1-CD2 4.16Å; Y668-L679 HydrophobicContact CD2-CD2 3.82Å; Y668-L679 HydrophobicContact CE2-CD1 4.21Å; Y668-L679 HydrophobicContact CE2-CD2 4.17Å; S675-L679 PolarHBondContact O-N 3.22Å; L679-R681 VanDerWaalsContact C-N 3.3Å; L679-R681 PolarHBondContact O-N 3.34Å; L679-G682 PolarHBondContact O-N 2.86Å; L679-H683 PolarHBondContact O-N 3.4Å; L679-H683 PolarHBondContact O-ND1 2.99Å |
| 680 | W | 82.2 | Confident | 81.4 | Confident | 111.333 Ų | 111.333 | 49.7 Ų | 49.7 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.9 | -40 | 174 | 172.3 | -108.8 | 0 | 0 | 0 | 113.2 | S676 V678 G682 H683 L684 E735 | S676-W680 VanDerWaalsContact O-CB 3.23Å; S676-W680 WeakPolarHBondContact O-CB 3.35Å; S676-W680 PolarHBondContact O-N 3.1Å; V678-W680 VanDerWaalsContact C-N 3.25Å; V678-W680 PolarHBondContact O-N 3.36Å; W680-G682 VanDerWaalsContact C-N 3.34Å; W680-G682 PolarHBondContact O-N 3.19Å; W680-H683 PolarHBondContact O-N 2.9Å; W680-L684 HydrophobicContact CZ2-CD1 4.37Å; W680-L684 WeakPolarHBondContact O-CB 3.36Å; W680-L684 PolarHBondContact O-N 3.18Å; W680-E735 WeakPolarHBondContact CH2-OE2 3.45Å; W680-E735 WeakPolarHBondContact CZ3-OE2 3.4Å |
| 681 | R | 84 | Confident | 82 | Confident | 95.6667 Ų | 95.6667 | 45.5 Ų | 45.5 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.5 | -68.6 | 175.7 | -175.8 | 162.4 | 5.3 | 111.8 | E635 L638 N639 T677 V678 L679 L684 I685 | E635-R681 IonicContact OE1-NH1 3.27Å; E635-R681 PolarHBondContact OE1-NH1 3.33Å; L638-R681 HydrophobicContact CD2-CB 4.12Å; N639-R681 PolarHBondContact OD1-NH1 3.16Å; T677-R681 WeakPolarHBondContact O-CG 3.29Å; T677-R681 PolarHBondContact O-N 3.04Å; V678-R681 WeakPolarHBondContact O-CB 3.13Å; V678-R681 PolarHBondContact O-N 3.18Å; L679-R681 VanDerWaalsContact C-N 3.3Å; L679-R681 PolarHBondContact O-N 3.34Å; R681-L684 WeakPolarHBondContact O-CB 3.3Å; R681-L684 PolarHBondContact O-N 3.19Å; R681-I685 WeakPolarHBondContact O-CG1 3.24Å; R681-I685 PolarHBondContact O-N 2.95Å; R681-I685 VanDerWaalsContact O-N 3.11Å |
| 682 | G | 88.2 | Confident | 82.6 | Confident | 0.666667 Ų | 0.666667 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V678 L679 W680 L684 I685 L686 | V678-G682 PolarHBondContact O-N 3.19Å; L679-G682 PolarHBondContact O-N 2.86Å; W680-G682 VanDerWaalsContact C-N 3.34Å; W680-G682 PolarHBondContact O-N 3.19Å; G682-L684 VanDerWaalsContact C-N 3.32Å; G682-L684 PolarHBondContact O-N 3.06Å; G682-I685 PolarHBondContact O-N 2.95Å; G682-L686 PolarHBondContact O-N 3.17Å |
| 683 | H | 89.1 | Confident | 83.3 | Confident | 9.33333 Ų | 9.33333 | 42 Ų | 42 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -36.5 | 175.5 | -59.4 | 121.1 | 0 | 0 | 0 | 112.2 | L679 W680 I685 L686 L687 F730 I736 | L679-H683 PolarHBondContact O-N 3.4Å; L679-H683 PolarHBondContact O-ND1 2.99Å; W680-H683 PolarHBondContact O-N 2.9Å; H683-I685 PolarHBondContact O-N 3.19Å; H683-L686 PolarHBondContact O-N 3.2Å; H683-L687 WeakPolarHBondContact O-CB 3.28Å; H683-L687 VanDerWaalsContact O-CG 3.26Å; H683-L687 WeakPolarHBondContact O-CG 3.31Å; H683-L687 PolarHBondContact O-N 3.28Å; H683-F730 PolarHBondContact CD2-O 3.2Å; H683-F730 VanDerWaalsContact CD2-O 3.23Å; H683-F730 PolarHBondContact NE2-O 3.07Å; H683-F730 VanDerWaalsContact NE2-O 3.16Å; H683-I736 HydrophobicContact CB-CD1 4.06Å; H683-I736 VanDerWaalsContact CD2-CD1 3.4Å; H683-I736 WeakPolarHBondContact CD2-CD1 3.48Å |
| 684 | L | 87.2 | Confident | 84.2 | Confident | 44.6667 Ų | 44.6667 | 36.3 Ų | 36.3 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 176.3 | -176.3 | 65.7 | 0 | 0 | 0 | 111.8 | M642 W680 R681 G682 L687 R688 L1167 | M642-L684 HydrophobicContact CE-CD2 3.85Å; M642-L684 HydrophobicContact SD-CD2 4.49Å; W680-L684 HydrophobicContact CZ2-CD1 4.37Å; W680-L684 WeakPolarHBondContact O-CB 3.36Å; W680-L684 PolarHBondContact O-N 3.18Å; R681-L684 WeakPolarHBondContact O-CB 3.3Å; R681-L684 PolarHBondContact O-N 3.19Å; G682-L684 VanDerWaalsContact C-N 3.32Å; G682-L684 PolarHBondContact O-N 3.06Å; L684-L687 PolarHBondContact O-N 3Å; L684-R688 WeakPolarHBondContact O-CG 3.26Å; L684-R688 PolarHBondContact O-N 3.38Å; L684-L1167 HydrophobicContact CD1-CD2 4.23Å |
| 685 | I | 89.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.2 | -61.6 | 164.2 | 0 | 0 | 0 | 109.9 | L638 A641 M642 V645 F660 R681 G682 H683 L687 R688 L689 | L638-I685 HydrophobicContact CD1-CD1 3.94Å; A641-I685 HydrophobicContact CB-CD1 4.03Å; M642-I685 HydrophobicContact CB-CD1 4.01Å; M642-I685 HydrophobicContact SD-CD1 3.93Å; M642-I685 HydrophobicContact SD-CG1 3.56Å; M642-I685 VanDerWaalsContact SD-CG1 3.56Å; V645-I685 HydrophobicContact CB-CG2 4.23Å; V645-I685 HydrophobicContact CG1-CG1 4.38Å; V645-I685 HydrophobicContact CG2-CG2 4.07Å; F660-I685 HydrophobicContact CD1-CB 4.48Å; F660-I685 HydrophobicContact CD1-CG2 3.75Å; F660-I685 HydrophobicContact CD2-CG2 4.1Å; F660-I685 HydrophobicContact CE1-CB 3.64Å; F660-I685 HydrophobicContact CE1-CG2 3.38Å; F660-I685 HydrophobicContact CE2-CB 4.14Å; F660-I685 HydrophobicContact CE2-CD1 3.69Å; F660-I685 HydrophobicContact CE2-CG2 3.78Å; F660-I685 HydrophobicContact CG-CG2 4.09Å; F660-I685 HydrophobicContact CZ-CB 3.44Å; F660-I685 VanDerWaalsContact CZ-CB 3.44Å; F660-I685 HydrophobicContact CZ-CD1 3.66Å; F660-I685 HydrophobicContact CZ-CG1 4.15Å; F660-I685 HydrophobicContact CZ-CG2 3.42Å; F660-I685 VanDerWaalsContact CZ-CG2 3.42Å; R681-I685 WeakPolarHBondContact O-CG1 3.24Å; R681-I685 PolarHBondContact O-N 2.95Å; R681-I685 VanDerWaalsContact O-N 3.11Å; G682-I685 PolarHBondContact O-N 2.95Å; H683-I685 PolarHBondContact O-N 3.19Å; I685-L687 VanDerWaalsContact C-N 3.34Å; I685-L687 PolarHBondContact O-N 3.22Å; I685-R688 WeakPolarHBondContact O-CB 3.37Å; I685-R688 PolarHBondContact O-N 3.27Å; I685-R688 VanDerWaalsContact O-N 3.15Å; I685-L689 HydrophobicContact CG2-CD1 4.3Å; I685-L689 HydrophobicContact CG2-CG 4.45Å; I685-L689 WeakPolarHBondContact O-CG 3.15Å; I685-L689 PolarHBondContact O-N 3.03Å |
| 686 | L | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.9 | -176.4 | 68.3 | 0 | 0 | 0 | 112 | F660 V661 L664 G682 H683 R688 L689 L690 T701 I705 F730 L731 I736 | F660-L686 HydrophobicContact CE1-CB 4.43Å; V661-L686 HydrophobicContact CG2-CD1 3.88Å; L664-L686 HydrophobicContact CD2-CB 4.08Å; L664-L686 HydrophobicContact CD2-CD2 4.23Å; G682-L686 PolarHBondContact O-N 3.17Å; H683-L686 PolarHBondContact O-N 3.2Å; L686-R688 VanDerWaalsContact C-N 3.29Å; L686-R688 PolarHBondContact O-N 3.06Å; L686-L689 WeakPolarHBondContact O-CB 3.43Å; L686-L689 PolarHBondContact O-N 3.32Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L686-L690 HydrophobicContact CD2-CD1 4.48Å; L686-L690 HydrophobicContact CG-CD1 4.07Å; L686-L690 HydrophobicContact CG-CG 4.36Å; L686-L690 VanDerWaalsContact O-CG 3.31Å; L686-L690 WeakPolarHBondContact O-CG 3.4Å; L686-L690 PolarHBondContact O-N 3.27Å; L686-T701 HydrophobicContact CD1-CG2 4.02Å; L686-I705 HydrophobicContact CD1-CD1 4.35Å; L686-F730 HydrophobicContact CD1-CE2 4.47Å; L686-F730 HydrophobicContact CD2-CD2 3.81Å; L686-F730 HydrophobicContact CD2-CE2 3.58Å; L686-L731 HydrophobicContact CD2-CD2 4.07Å; L686-I736 HydrophobicContact CD2-CD1 3.67Å; L686-I736 HydrophobicContact CD2-CG1 4.27Å; L686-I736 HydrophobicContact CD2-CG2 4.36Å |
| 687 | L | 89.7 | Confident | 87.2 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 176.6 | -74.3 | 169.1 | 0 | 0 | 0 | 111.3 | H683 L684 I685 L689 L690 S691 E735 I736 E739 L1167 | H683-L687 WeakPolarHBondContact O-CB 3.28Å; H683-L687 VanDerWaalsContact O-CG 3.26Å; H683-L687 WeakPolarHBondContact O-CG 3.31Å; H683-L687 PolarHBondContact O-N 3.28Å; L684-L687 PolarHBondContact O-N 3Å; I685-L687 VanDerWaalsContact C-N 3.34Å; I685-L687 PolarHBondContact O-N 3.22Å; L687-L689 VanDerWaalsContact C-N 3.35Å; L687-L690 PolarHBondContact O-N 3.47Å; L687-S691 WeakPolarHBondContact O-CB 3.3Å; L687-S691 PolarHBondContact O-N 3Å; L687-S691 PolarHBondContact O-OG 3.32Å; L687-E735 HydrophobicContact CD1-CB 4Å; L687-E735 HydrophobicContact CD2-CB 4.46Å; L687-E735 WeakPolarHBondContact CD2-O 3.41Å; L687-I736 HydrophobicContact CD2-CB 4.45Å; L687-I736 HydrophobicContact CD2-CG1 3.88Å; L687-I736 HydrophobicContact CG-CG1 4.08Å; L687-E739 HydrophobicContact CD2-CB 3.92Å; L687-E739 HydrophobicContact CD2-CG 4.35Å; L687-L1167 VanDerWaalsContact C-CD1 3.42Å; L687-L1167 HydrophobicContact CB-CD1 3.45Å; L687-L1167 VanDerWaalsContact CB-CD1 3.45Å |
| 688 | R | 88.8 | Confident | 88 | Confident | 41 Ų | 41 | 28.3 Ų | 28.3 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 172.7 | -70.6 | -177.9 | 68.2 | -177.2 | -1.3 | 112.1 | V645 E649 L684 I685 L686 L690 S691 H692 L1167 E1174 | V645-R688 VanDerWaalsContact CG1-NH1 3.28Å; V645-R688 HydrophobicContact CG2-CB 4.33Å; E649-R688 IonicContact OE1-NH2 3.77Å; L684-R688 WeakPolarHBondContact O-CG 3.26Å; L684-R688 PolarHBondContact O-N 3.38Å; I685-R688 WeakPolarHBondContact O-CB 3.37Å; I685-R688 PolarHBondContact O-N 3.27Å; I685-R688 VanDerWaalsContact O-N 3.15Å; L686-R688 VanDerWaalsContact C-N 3.29Å; L686-R688 PolarHBondContact O-N 3.06Å; R688-L690 VanDerWaalsContact C-N 3.34Å; R688-L690 PolarHBondContact O-N 2.76Å; R688-S691 CarbonylContact O-C 3.56Å; R688-S691 PolarHBondContact O-N 2.77Å; R688-H692 VanDerWaalsContact O-CA 3.25Å; R688-H692 WeakPolarHBondContact O-CA 3.36Å; R688-H692 VanDerWaalsContact O-CB 3.25Å; R688-H692 WeakPolarHBondContact O-CB 3.39Å; R688-H692 PolarHBondContact O-N 3.1Å; R688-L1167 HydrophobicContact CG-CD1 3.95Å; R688-L1167 HydrophobicContact CG-CD2 4.1Å; R688-E1174 WeakPolarHBondContact CB-OE1 3.39Å; R688-E1174 IonicContact CZ-OE1 3.77Å; R688-E1174 IonicContact NE-OE1 3.38Å; R688-E1174 PolarHBondContact NE-OE1 3.15Å; R688-E1174 VanDerWaalsContact NE-OE1 3.17Å; R688-E1174 IonicContact NE-OE2 3.05Å; R688-E1174 IonicContact NH2-OE1 2.87Å; R688-E1174 IonicContact NH2-OE2 2.8Å |
| 689 | L | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -35 | 176.5 | -65.8 | 176.9 | 0 | 0 | 0 | 113.3 | V645 L648 F656 A657 F660 I685 L686 L687 I697 T701 | V645-L689 HydrophobicContact CG2-CD2 4.36Å; L648-L689 HydrophobicContact CD1-CD2 3.48Å; L648-L689 VanDerWaalsContact CD1-CD2 3.48Å; F656-L689 HydrophobicContact CD1-CD2 4.35Å; F656-L689 HydrophobicContact CE1-CD2 4.37Å; A657-L689 HydrophobicContact CB-CD1 4.46Å; A657-L689 HydrophobicContact CB-CD2 4.16Å; F660-L689 HydrophobicContact CB-CD1 4.14Å; F660-L689 HydrophobicContact CD1-CD1 3.56Å; F660-L689 HydrophobicContact CE1-CD1 4.41Å; F660-L689 HydrophobicContact CG-CD1 4.13Å; I685-L689 HydrophobicContact CG2-CD1 4.3Å; I685-L689 HydrophobicContact CG2-CG 4.45Å; I685-L689 WeakPolarHBondContact O-CG 3.15Å; I685-L689 PolarHBondContact O-N 3.03Å; L686-L689 WeakPolarHBondContact O-CB 3.43Å; L686-L689 PolarHBondContact O-N 3.32Å; L686-L689 VanDerWaalsContact O-N 3.1Å; L687-L689 VanDerWaalsContact C-N 3.35Å; L689-I697 HydrophobicContact CD2-CG2 3.83Å; L689-T701 HydrophobicContact CB-CG2 3.9Å; L689-T701 PolarHBondContact O-OG1 3.03Å |
| 690 | L | 91.3 | Very high | 89.2 | Confident | 2.66667 Ų | 2.66667 | 31.6 Ų | 31.6 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.9 | -35.8 | 176.5 | -69 | 171.9 | 0 | 0 | 0 | 112.1 | L686 L687 R688 R698 T701 Y702 I705 I736 E739 | L686-L690 HydrophobicContact CD2-CD1 4.48Å; L686-L690 HydrophobicContact CG-CD1 4.07Å; L686-L690 HydrophobicContact CG-CG 4.36Å; L686-L690 VanDerWaalsContact O-CG 3.31Å; L686-L690 WeakPolarHBondContact O-CG 3.4Å; L686-L690 PolarHBondContact O-N 3.27Å; L687-L690 PolarHBondContact O-N 3.47Å; R688-L690 VanDerWaalsContact C-N 3.34Å; R688-L690 PolarHBondContact O-N 2.76Å; L690-R698 WeakPolarHBondContact O-CD 3.35Å; L690-T701 HydrophobicContact CD2-CG2 3.75Å; L690-T701 HydrophobicContact CG-CG2 4.2Å; L690-Y702 HydrophobicContact CD2-CD1 4.15Å; L690-Y702 HydrophobicContact CD2-CD2 4.24Å; L690-Y702 HydrophobicContact CD2-CE1 3.69Å; L690-Y702 HydrophobicContact CD2-CE2 3.81Å; L690-Y702 HydrophobicContact CD2-CG 4.4Å; L690-I705 HydrophobicContact CD2-CD1 3.83Å; L690-I736 HydrophobicContact CD1-CG2 4.09Å; L690-E739 HydrophobicContact CB-CG 4.25Å |
| 691 | S | 88 | Confident | 89.8 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -97 | 1.2 | -178.8 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | L687 R688 E739 L1167 R1168 | L687-S691 WeakPolarHBondContact O-CB 3.3Å; L687-S691 PolarHBondContact O-N 3Å; L687-S691 PolarHBondContact O-OG 3.32Å; R688-S691 CarbonylContact O-C 3.56Å; R688-S691 PolarHBondContact O-N 2.77Å; S691-E739 VanDerWaalsContact CB-OE1 3.31Å; S691-E739 WeakPolarHBondContact CB-OE1 3.27Å; S691-L1167 WeakPolarHBondContact OG-CD1 3.26Å; S691-R1168 VanDerWaalsContact O-CZ 3.26Å; S691-R1168 PolarHBondContact O-NE 3.12Å; S691-R1168 PolarHBondContact O-NH2 3.15Å |
| 692 | H | 87.7 | Confident | 90.4 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | trans | -54.3 | 143.7 | -173.2 | -161.1 | -82.6 | 0 | 0 | 0 | 112.8 | R688 L694 I697 R698 E1174 | R688-H692 VanDerWaalsContact O-CA 3.25Å; R688-H692 WeakPolarHBondContact O-CA 3.36Å; R688-H692 VanDerWaalsContact O-CB 3.25Å; R688-H692 WeakPolarHBondContact O-CB 3.39Å; R688-H692 PolarHBondContact O-N 3.1Å; H692-L694 WeakPolarHBondContact ND1-CB 3.28Å; H692-L694 PolarHBondContact ND1-N 3.32Å; H692-L694 PolarHBondContact O-N 3.32Å; H692-I697 HydrophobicContact CB-CB 4.28Å; H692-I697 HydrophobicContact CB-CG2 3.8Å; H692-I697 VanDerWaalsContact CE1-CD1 3.43Å; H692-I697 WeakPolarHBondContact CE1-CD1 3.21Å; H692-R698 HydrophobicContact CB-CG 4.24Å; H692-R698 VanDerWaalsContact O-CD 3.24Å; H692-R698 WeakPolarHBondContact O-CD 3.3Å; H692-R698 VanDerWaalsContact O-CG 3.31Å; H692-R698 WeakPolarHBondContact O-CG 3.32Å; H692-R698 PolarHBondContact O-NH1 3.24Å; H692-E1174 WeakPolarHBondContact CA-OE1 3.19Å; H692-E1174 IonicContact CD2-OE1 3.97Å; H692-E1174 IonicContact CD2-OE2 3.54Å | ||
| 693 | E | 83.1 | Confident | 90.8 | Very high | 85 Ų | 85 | 23.9 Ų | 23.9 | 40% | 0.397 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -62.1 | -46.1 | -179.6 | -143.1 | -177.7 | 166.4 | 0 | 0 | 112.2 | V695 R698 N1173 E1174 | E693-V695 PolarHBondContact O-N 3.05Å; E693-R698 PolarHBondContact O-NH1 3.23Å; E693-N1173 WeakPolarHBondContact OE1-CA 3.43Å; E693-N1173 WeakPolarHBondContact OE1-CB 3.42Å; E693-E1174 HydrophobicContact CG-CB 4.24Å; E693-E1174 PolarHBondContact OE1-N 3.36Å |
| 694 | L | 86.3 | Confident | 91 | Very high | 48 Ų | 48 | 24.3 Ų | 24.3 | 25% | 0.251 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -66.4 | 116.1 | 176.3 | -61.7 | 176.8 | 0 | 0 | 0 | 112.6 | L648 H692 A696 I697 R698 F1256 | L648-L694 WeakPolarHBondContact O-CD1 3.35Å; H692-L694 WeakPolarHBondContact ND1-CB 3.28Å; H692-L694 PolarHBondContact ND1-N 3.32Å; H692-L694 PolarHBondContact O-N 3.32Å; L694-A696 VanDerWaalsContact C-N 3.25Å; L694-A696 PolarHBondContact O-N 3.12Å; L694-I697 HydrophobicContact CB-CB 4.49Å; L694-I697 HydrophobicContact CB-CD1 4.22Å; L694-I697 HydrophobicContact CB-CG1 4.4Å; L694-I697 HydrophobicContact CD1-CD1 4.01Å; L694-I697 PolarHBondContact O-N 3.18Å; L694-I697 VanDerWaalsContact O-N 3.11Å; L694-R698 PolarHBondContact O-N 3.26Å; L694-F1256 HydrophobicContact CD1-CE2 4.12Å; L694-F1256 HydrophobicContact CD1-CZ 4.29Å; L694-F1256 HydrophobicContact CD2-CZ 4.43Å |
| 695 | V | 90 | Very high | 91.3 | Very high | 55.6667 Ų | 55.6667 | 22.3 Ų | 22.3 | 34% | 0.337 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -55.1 | -38.8 | 176.9 | -178 | 0 | 0 | 0 | 0 | 112.4 | E693 I697 R698 K699 N749 V752 | E693-V695 PolarHBondContact O-N 3.05Å; V695-I697 VanDerWaalsContact C-N 3.26Å; V695-I697 PolarHBondContact O-N 3.22Å; V695-R698 PolarHBondContact O-N 3.02Å; V695-K699 WeakPolarHBondContact O-CB 3.36Å; V695-K699 PolarHBondContact O-N 3.28Å; V695-N749 HydrophobicContact CG1-CB 3.69Å; V695-V752 HydrophobicContact CG1-CG2 4.06Å |
| 696 | A | 90.5 | Very high | 91.4 | Very high | 45.6667 Ų | 45.6667 | 22.7 Ų | 22.7 | 38% | 0.377 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.2 | -36.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T654 L694 A700 | T654-A696 HydrophobicContact CG2-CB 3.81Å; T654-A696 WeakPolarHBondContact CG2-O 3.28Å; L694-A696 VanDerWaalsContact C-N 3.25Å; L694-A696 PolarHBondContact O-N 3.12Å; A696-A700 WeakPolarHBondContact O-CB 3.36Å; A696-A700 PolarHBondContact O-N 3.25Å |
| 697 | I | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.7 | -50.1 | 177.1 | -72.6 | 172.5 | 0 | 0 | 0 | 109.8 | L648 A657 L689 H692 L694 V695 K699 A700 T701 | L648-I697 HydrophobicContact CB-CD1 3.8Å; L648-I697 HydrophobicContact CD1-CD1 4.3Å; L648-I697 HydrophobicContact CD2-CD1 4.47Å; L648-I697 HydrophobicContact CG-CD1 4.43Å; A657-I697 HydrophobicContact CB-CG2 4.08Å; L689-I697 HydrophobicContact CD2-CG2 3.83Å; H692-I697 HydrophobicContact CB-CB 4.28Å; H692-I697 HydrophobicContact CB-CG2 3.8Å; H692-I697 VanDerWaalsContact CE1-CD1 3.43Å; H692-I697 WeakPolarHBondContact CE1-CD1 3.21Å; L694-I697 HydrophobicContact CB-CB 4.49Å; L694-I697 HydrophobicContact CB-CD1 4.22Å; L694-I697 HydrophobicContact CB-CG1 4.4Å; L694-I697 HydrophobicContact CD1-CD1 4.01Å; L694-I697 PolarHBondContact O-N 3.18Å; L694-I697 VanDerWaalsContact O-N 3.11Å; V695-I697 VanDerWaalsContact C-N 3.26Å; V695-I697 PolarHBondContact O-N 3.22Å; I697-K699 VanDerWaalsContact C-N 3.28Å; I697-K699 PolarHBondContact O-N 2.96Å; I697-A700 PolarHBondContact O-N 3.12Å; I697-A700 VanDerWaalsContact O-N 3.12Å; I697-T701 PolarHBondContact O-N 3.19Å; I697-T701 PolarHBondContact O-OG1 3.11Å |
| 698 | R | 93.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 29.3 Ų | 29.3 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.4 | -46.9 | 176.7 | -60.2 | -160.4 | -58.6 | -84.3 | 7.1 | 111.4 | L690 H692 E693 L694 V695 A700 T701 Y702 D747 V752 | L690-R698 WeakPolarHBondContact O-CD 3.35Å; H692-R698 HydrophobicContact CB-CG 4.24Å; H692-R698 VanDerWaalsContact O-CD 3.24Å; H692-R698 WeakPolarHBondContact O-CD 3.3Å; H692-R698 VanDerWaalsContact O-CG 3.31Å; H692-R698 WeakPolarHBondContact O-CG 3.32Å; H692-R698 PolarHBondContact O-NH1 3.24Å; E693-R698 PolarHBondContact O-NH1 3.23Å; L694-R698 PolarHBondContact O-N 3.26Å; V695-R698 PolarHBondContact O-N 3.02Å; R698-A700 PolarHBondContact O-N 2.99Å; R698-T701 WeakPolarHBondContact O-CB 3.43Å; R698-T701 PolarHBondContact O-N 3.16Å; R698-Y702 VanDerWaalsContact O-CD2 3.26Å; R698-Y702 WeakPolarHBondContact O-CD2 3.39Å; R698-Y702 PolarHBondContact O-N 2.95Å; R698-D747 IonicContact CZ-OD1 3.61Å; R698-D747 IonicContact CZ-OD2 2.81Å; R698-D747 IonicContact NE-OD1 3.41Å; R698-D747 IonicContact NE-OD2 3.25Å; R698-D747 PolarHBondContact NE-OD2 3.33Å; R698-D747 IonicContact NH2-OD1 3.88Å; R698-D747 PolarHBondContact NH2-OD1 3.15Å; R698-D747 IonicContact NH2-OD2 3.27Å; R698-D747 PolarHBondContact NH2-OD2 3.08Å; R698-V752 HydrophobicContact CB-CG1 4.27Å; R698-V752 HydrophobicContact CB-CG2 4.35Å |
| 699 | K | 94.1 | Very high | 91 | Very high | 81 Ų | 81 | 27.4 Ų | 27.4 | 35% | 0.352 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 176.4 | -175.8 | 179.4 | 178 | 176.1 | 0 | 112.1 | V695 I697 S703 E751 V752 L755 | V695-K699 WeakPolarHBondContact O-CB 3.36Å; V695-K699 PolarHBondContact O-N 3.28Å; I697-K699 VanDerWaalsContact C-N 3.28Å; I697-K699 PolarHBondContact O-N 2.96Å; K699-S703 WeakPolarHBondContact O-CB 3.42Å; K699-S703 PolarHBondContact O-N 3.05Å; K699-E751 VanDerWaalsContact CE-OE2 3.28Å; K699-E751 WeakPolarHBondContact CE-OE2 3.27Å; K699-E751 IonicContact NZ-OE1 3.24Å; K699-E751 IonicContact NZ-OE2 3.24Å; K699-E751 PolarHBondContact NZ-OE2 3.32Å; K699-V752 HydrophobicContact CB-CG2 4.02Å; K699-L755 HydrophobicContact CG-CD1 3.85Å |
| 700 | A | 93.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 32 Ų | 32 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T654 A657 A696 I697 R698 S703 Q704 | T654-A700 HydrophobicContact CG2-CB 4.31Å; A657-A700 HydrophobicContact CB-CB 4.18Å; A696-A700 WeakPolarHBondContact O-CB 3.36Å; A696-A700 PolarHBondContact O-N 3.25Å; I697-A700 PolarHBondContact O-N 3.12Å; I697-A700 VanDerWaalsContact O-N 3.12Å; R698-A700 PolarHBondContact O-N 2.99Å; A700-S703 PolarHBondContact O-N 3.15Å; A700-Q704 WeakPolarHBondContact O-CB 3.36Å; A700-Q704 PolarHBondContact O-N 3.29Å |
| 701 | T | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -55.8 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | V661 L686 L689 L690 I697 R698 S703 Q704 I705 | V661-T701 HydrophobicContact CG2-CG2 3.84Å; L686-T701 HydrophobicContact CD1-CG2 4.02Å; L689-T701 HydrophobicContact CB-CG2 3.9Å; L689-T701 PolarHBondContact O-OG1 3.03Å; L690-T701 HydrophobicContact CD2-CG2 3.75Å; L690-T701 HydrophobicContact CG-CG2 4.2Å; I697-T701 PolarHBondContact O-N 3.19Å; I697-T701 PolarHBondContact O-OG1 3.11Å; R698-T701 WeakPolarHBondContact O-CB 3.43Å; R698-T701 PolarHBondContact O-N 3.16Å; T701-S703 VanDerWaalsContact C-N 3.33Å; T701-S703 PolarHBondContact O-N 3.06Å; T701-Q704 PolarHBondContact O-N 3.17Å; T701-I705 HydrophobicContact CG2-CD1 4.06Å; T701-I705 VanDerWaalsContact O-CG1 3.31Å; T701-I705 WeakPolarHBondContact O-CG1 3.32Å; T701-I705 PolarHBondContact O-N 3.39Å |
| 702 | Y | 95.9 | Very high | 89.5 | Confident | 2.66667 Ų | 2.66667 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 179 | -78.5 | -71.9 | 0 | 0 | 0 | 112.3 | L690 R698 Q704 I705 L706 W740 G744 V752 A756 | L690-Y702 HydrophobicContact CD2-CD1 4.15Å; L690-Y702 HydrophobicContact CD2-CD2 4.24Å; L690-Y702 HydrophobicContact CD2-CE1 3.69Å; L690-Y702 HydrophobicContact CD2-CE2 3.81Å; L690-Y702 HydrophobicContact CD2-CG 4.4Å; R698-Y702 VanDerWaalsContact O-CD2 3.26Å; R698-Y702 WeakPolarHBondContact O-CD2 3.39Å; R698-Y702 PolarHBondContact O-N 2.95Å; Y702-Q704 VanDerWaalsContact C-N 3.34Å; Y702-Q704 PolarHBondContact O-N 2.96Å; Y702-I705 PolarHBondContact O-N 3.25Å; Y702-L706 VanDerWaalsContact O-CB 3.29Å; Y702-L706 WeakPolarHBondContact O-CB 3.29Å; Y702-L706 PolarHBondContact O-N 3.12Å; Y702-W740 HydrophobicContact CD1-CZ2 4.42Å; Y702-W740 AromaticContact CE1-CD1 3.65Å; Y702-W740 HydrophobicContact CE1-CD2 4.06Å; Y702-W740 AromaticContact CE1-CE2 3.81Å; Y702-W740 AromaticContact CE1-CG 3.95Å; Y702-W740 HydrophobicContact CE1-CG 3.95Å; Y702-W740 HydrophobicContact CE1-CZ2 4.49Å; Y702-W740 AromaticContact CE1-NE1 3.57Å; Y702-G744 WeakPolarHBondContact OH-CA 3.26Å; Y702-V752 HydrophobicContact CD2-CG1 3.59Å; Y702-V752 HydrophobicContact CE2-CG1 3.79Å; Y702-A756 HydrophobicContact CD1-CB 3.84Å; Y702-A756 HydrophobicContact CE1-CB 3.76Å; Y702-A756 HydrophobicContact CG-CB 4.36Å |
| 703 | S | 95.6 | Very high | 88.8 | Confident | 42.6667 Ų | 42.6667 | 36.4 Ų | 36.4 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | K699 A700 T701 K707 | K699-S703 WeakPolarHBondContact O-CB 3.42Å; K699-S703 PolarHBondContact O-N 3.05Å; A700-S703 PolarHBondContact O-N 3.15Å; T701-S703 VanDerWaalsContact C-N 3.33Å; T701-S703 PolarHBondContact O-N 3.06Å; S703-K707 WeakPolarHBondContact O-CB 3.15Å; S703-K707 WeakPolarHBondContact O-CG 3.29Å; S703-K707 PolarHBondContact O-N 3.01Å |
| 704 | Q | 94.1 | Very high | 88 | Confident | 19.3333 Ų | 19.3333 | 36.4 Ų | 36.4 | 9% | 0.09 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.8 | -40.3 | 178.3 | -170.5 | 71.9 | -1.3 | 0 | 0 | 112 | S658 V661 E662 A700 T701 Y702 L706 K707 L708 | S658-Q704 WeakPolarHBondContact O-CG 3.44Å; V661-Q704 HydrophobicContact CB-CB 4.3Å; V661-Q704 HydrophobicContact CB-CG 3.97Å; V661-Q704 HydrophobicContact CG1-CB 4.39Å; V661-Q704 HydrophobicContact CG1-CG 4.14Å; E662-Q704 PolarHBondContact OE2-NE2 3.22Å; E662-Q704 VanDerWaalsContact OE2-NE2 3.15Å; A700-Q704 WeakPolarHBondContact O-CB 3.36Å; A700-Q704 PolarHBondContact O-N 3.29Å; T701-Q704 PolarHBondContact O-N 3.17Å; Y702-Q704 VanDerWaalsContact C-N 3.34Å; Y702-Q704 PolarHBondContact O-N 2.96Å; Q704-L706 VanDerWaalsContact C-N 3.29Å; Q704-L706 PolarHBondContact O-N 3.08Å; Q704-K707 WeakPolarHBondContact O-CB 3.37Å; Q704-K707 PolarHBondContact O-N 3.05Å; Q704-K707 VanDerWaalsContact O-N 3.16Å; Q704-L708 PolarHBondContact O-N 3.17Å |
| 705 | I | 93.8 | Very high | 87 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 172.8 | -69.5 | 169.3 | 0 | 0 | 0 | 110.1 | V661 L686 L690 T701 Y702 K707 L708 L709 L731 W740 | V661-I705 HydrophobicContact CG1-CG1 3.65Å; V661-I705 HydrophobicContact CG2-CG1 4.31Å; L686-I705 HydrophobicContact CD1-CD1 4.35Å; L690-I705 HydrophobicContact CD2-CD1 3.83Å; T701-I705 HydrophobicContact CG2-CD1 4.06Å; T701-I705 VanDerWaalsContact O-CG1 3.31Å; T701-I705 WeakPolarHBondContact O-CG1 3.32Å; T701-I705 PolarHBondContact O-N 3.39Å; Y702-I705 PolarHBondContact O-N 3.25Å; I705-K707 VanDerWaalsContact C-N 3.33Å; I705-K707 PolarHBondContact O-N 2.99Å; I705-L708 PolarHBondContact O-N 3.19Å; I705-L709 HydrophobicContact CG2-CD1 3.87Å; I705-L709 HydrophobicContact CG2-CG 4.41Å; I705-L709 WeakPolarHBondContact O-CB 3.23Å; I705-L709 WeakPolarHBondContact O-CG 3.46Å; I705-L709 PolarHBondContact O-N 2.88Å; I705-L731 HydrophobicContact CD1-CD2 4.26Å; I705-L731 HydrophobicContact CG1-CD2 4.42Å; I705-L731 HydrophobicContact CG2-CD1 3.77Å; I705-L731 HydrophobicContact CG2-CD2 4.34Å; I705-W740 HydrophobicContact CG2-CH2 3.42Å; I705-W740 VanDerWaalsContact CG2-CH2 3.42Å; I705-W740 HydrophobicContact CG2-CZ2 4.22Å; I705-W740 HydrophobicContact CG2-CZ3 3.97Å |
| 706 | L | 91.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.6 | 177.4 | 62.5 | 0 | 0 | 0 | 112 | Y702 Q704 L709 K710 L755 E758 L762 | Y702-L706 VanDerWaalsContact O-CB 3.29Å; Y702-L706 WeakPolarHBondContact O-CB 3.29Å; Y702-L706 PolarHBondContact O-N 3.12Å; Q704-L706 VanDerWaalsContact C-N 3.29Å; Q704-L706 PolarHBondContact O-N 3.08Å; L706-L709 PolarHBondContact O-N 3.4Å; L706-K710 HydrophobicContact CD1-CD 4.35Å; L706-K710 HydrophobicContact CD1-CG 4.32Å; L706-K710 HydrophobicContact CG-CD 4.26Å; L706-K710 WeakPolarHBondContact O-CB 3.46Å; L706-K710 VanDerWaalsContact O-CG 3.31Å; L706-K710 WeakPolarHBondContact O-CG 3.38Å; L706-K710 PolarHBondContact O-N 3.02Å; L706-L755 HydrophobicContact CD2-CD2 3.74Å; L706-E758 HydrophobicContact CD1-CB 4.21Å; L706-E758 HydrophobicContact CD1-CG 3.93Å; L706-E758 HydrophobicContact CD2-CB 4.36Å; L706-E758 HydrophobicContact CD2-CG 4.34Å; L706-E758 WeakPolarHBondContact CD2-OE2 3.47Å; L706-L762 HydrophobicContact CD1-CD1 3.59Å |
| 707 | K | 89.7 | Confident | 84 | Confident | 116.333 Ų | 116.333 | 45.8 Ų | 45.8 | 51% | 0.506 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 175.8 | -102.6 | 175.9 | -178.2 | -178.9 | 0 | 111.5 | S703 Q704 I705 L709 K710 V711 | S703-K707 WeakPolarHBondContact O-CB 3.15Å; S703-K707 WeakPolarHBondContact O-CG 3.29Å; S703-K707 PolarHBondContact O-N 3.01Å; Q704-K707 WeakPolarHBondContact O-CB 3.37Å; Q704-K707 PolarHBondContact O-N 3.05Å; Q704-K707 VanDerWaalsContact O-N 3.16Å; I705-K707 VanDerWaalsContact C-N 3.33Å; I705-K707 PolarHBondContact O-N 2.99Å; K707-L709 VanDerWaalsContact C-N 3.35Å; K707-L709 PolarHBondContact O-N 3.19Å; K707-K710 PolarHBondContact O-N 2.94Å; K707-V711 VanDerWaalsContact O-CG2 3.24Å; K707-V711 WeakPolarHBondContact O-CG2 3.42Å; K707-V711 PolarHBondContact O-N 3.18Å |
| 708 | L | 86.4 | Confident | 82.4 | Confident | 31.6667 Ų | 31.6667 | 47.9 Ų | 47.9 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 177.1 | -72.2 | 177.5 | 0 | 0 | 0 | 111.7 | V661 Q704 I705 K710 V711 A712 | V661-L708 HydrophobicContact CG1-CD1 3.58Å; Q704-L708 PolarHBondContact O-N 3.17Å; I705-L708 PolarHBondContact O-N 3.19Å; L708-K710 PolarHBondContact O-N 2.92Å; L708-V711 PolarHBondContact O-N 3.18Å; L708-A712 VanDerWaalsContact O-CB 3.24Å; L708-A712 WeakPolarHBondContact O-CB 3.31Å; L708-A712 PolarHBondContact O-N 3.2Å |
| 709 | L | 87.2 | Confident | 80.7 | Confident | 1.33333 Ų | 1.33333 | 51.1 Ų | 51.1 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.7 | -76.3 | 169.4 | 0 | 0 | 0 | 111.9 | I705 L706 K707 V711 A712 I713 V728 L731 W740 G759 L763 | I705-L709 HydrophobicContact CG2-CD1 3.87Å; I705-L709 HydrophobicContact CG2-CG 4.41Å; I705-L709 WeakPolarHBondContact O-CB 3.23Å; I705-L709 WeakPolarHBondContact O-CG 3.46Å; I705-L709 PolarHBondContact O-N 2.88Å; L706-L709 PolarHBondContact O-N 3.4Å; K707-L709 VanDerWaalsContact C-N 3.35Å; K707-L709 PolarHBondContact O-N 3.19Å; L709-V711 VanDerWaalsContact C-N 3.32Å; L709-V711 PolarHBondContact O-N 3.06Å; L709-A712 PolarHBondContact O-N 3.24Å; L709-I713 HydrophobicContact CB-CD1 4.35Å; L709-I713 HydrophobicContact CD2-CD1 4.21Å; L709-I713 VanDerWaalsContact O-CB 3.24Å; L709-I713 WeakPolarHBondContact O-CB 3.38Å; L709-I713 WeakPolarHBondContact O-CD1 3.38Å; L709-I713 VanDerWaalsContact O-CG1 3.27Å; L709-I713 WeakPolarHBondContact O-CG1 3.37Å; L709-I713 PolarHBondContact O-N 3.39Å; L709-V728 HydrophobicContact CD2-CB 4.36Å; L709-V728 HydrophobicContact CD2-CG1 3.53Å; L709-V728 HydrophobicContact CD2-CG2 4.25Å; L709-V728 HydrophobicContact CG-CG1 4.45Å; L709-L731 HydrophobicContact CD1-CD1 4.42Å; L709-L731 HydrophobicContact CD2-CD1 4.35Å; L709-L731 HydrophobicContact CG-CD1 4.39Å; L709-W740 HydrophobicContact CD1-CH2 3.94Å; L709-G759 VanDerWaalsContact CD1-O 3.3Å; L709-G759 WeakPolarHBondContact CD1-O 3.41Å; L709-L763 HydrophobicContact CD1-CB 4.43Å; L709-L763 HydrophobicContact CD2-CB 4.29Å; L709-L763 HydrophobicContact CD2-CD1 4.05Å |
| 710 | K | 84.6 | Confident | 79 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 176.6 | -77.8 | 178.3 | 176.9 | 175.9 | 0 | 112.1 | L706 K707 L708 H714 E758 L762 | L706-K710 HydrophobicContact CD1-CD 4.35Å; L706-K710 HydrophobicContact CD1-CG 4.32Å; L706-K710 HydrophobicContact CG-CD 4.26Å; L706-K710 WeakPolarHBondContact O-CB 3.46Å; L706-K710 VanDerWaalsContact O-CG 3.31Å; L706-K710 WeakPolarHBondContact O-CG 3.38Å; L706-K710 PolarHBondContact O-N 3.02Å; K707-K710 PolarHBondContact O-N 2.94Å; L708-K710 PolarHBondContact O-N 2.92Å; K710-H714 VanDerWaalsContact O-CB 3.3Å; K710-H714 WeakPolarHBondContact O-CB 3.25Å; K710-H714 PolarHBondContact O-N 3.17Å; K710-H714 VanDerWaalsContact O-N 3.13Å; K710-E758 WeakPolarHBondContact CE-OE1 3.21Å; K710-E758 IonicContact NZ-OE1 3.17Å; K710-E758 PolarHBondContact NZ-OE1 3.09Å; K710-E758 IonicContact NZ-OE2 2.93Å; K710-L762 HydrophobicContact CG-CD1 3.77Å |
| 711 | V | 80 | Confident | 77 | Confident | 70.3333 Ų | 70.3333 | 56.1 Ų | 56.1 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.5 | -48 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | K707 L708 L709 I713 H714 F717 | K707-V711 VanDerWaalsContact O-CG2 3.24Å; K707-V711 WeakPolarHBondContact O-CG2 3.42Å; K707-V711 PolarHBondContact O-N 3.18Å; L708-V711 PolarHBondContact O-N 3.18Å; L709-V711 VanDerWaalsContact C-N 3.32Å; L709-V711 PolarHBondContact O-N 3.06Å; V711-I713 PolarHBondContact O-N 3.12Å; V711-H714 WeakPolarHBondContact O-CB 3.33Å; V711-H714 PolarHBondContact O-N 2.96Å; V711-F717 HydrophobicContact CG1-CD1 4.41Å; V711-F717 HydrophobicContact CG1-CD2 4.02Å; V711-F717 HydrophobicContact CG1-CE1 4.31Å; V711-F717 HydrophobicContact CG1-CE2 3.96Å; V711-F717 HydrophobicContact CG1-CG 4.37Å; V711-F717 HydrophobicContact CG1-CZ 4.1Å; V711-F717 WeakPolarHBondContact O-CB 3.44Å; V711-F717 VanDerWaalsContact O-CD2 3.27Å; V711-F717 WeakPolarHBondContact O-CD2 3.38Å |
| 712 | A | 74.7 | Confident | 75 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L708 L709 H714 L725 V728 | L708-A712 VanDerWaalsContact O-CB 3.24Å; L708-A712 WeakPolarHBondContact O-CB 3.31Å; L708-A712 PolarHBondContact O-N 3.2Å; L709-A712 PolarHBondContact O-N 3.24Å; A712-H714 PolarHBondContact O-N 3.04Å; A712-L725 HydrophobicContact CB-CD1 4.12Å; A712-L725 HydrophobicContact CB-CD2 3.97Å; A712-L725 HydrophobicContact CB-CG 4.1Å; A712-L725 WeakPolarHBondContact O-CD1 3.43Å; A712-L725 WeakPolarHBondContact O-CD2 3.33Å; A712-V728 HydrophobicContact CB-CG1 3.85Å; A712-V728 HydrophobicContact CB-CG2 3.62Å |
| 713 | I | 71.8 | Confident | 72.9 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -82.7 | -8.4 | -176 | -63.2 | 165.4 | 0 | 0 | 0 | 112 | L709 V711 L725 L762 Y769 | L709-I713 HydrophobicContact CB-CD1 4.35Å; L709-I713 HydrophobicContact CD2-CD1 4.21Å; L709-I713 VanDerWaalsContact O-CB 3.24Å; L709-I713 WeakPolarHBondContact O-CB 3.38Å; L709-I713 WeakPolarHBondContact O-CD1 3.38Å; L709-I713 VanDerWaalsContact O-CG1 3.27Å; L709-I713 WeakPolarHBondContact O-CG1 3.37Å; L709-I713 PolarHBondContact O-N 3.39Å; V711-I713 PolarHBondContact O-N 3.12Å; I713-L725 HydrophobicContact CG1-CD2 4.49Å; I713-L762 HydrophobicContact CD1-CB 3.95Å; I713-L762 WeakPolarHBondContact CD1-O 3.23Å; I713-Y769 HydrophobicContact CB-CD2 4.47Å; I713-Y769 HydrophobicContact CB-CG 4.43Å; I713-Y769 HydrophobicContact CG1-CG 4.47Å; I713-Y769 HydrophobicContact CG2-CD1 4.34Å; I713-Y769 HydrophobicContact CG2-CD2 3.62Å; I713-Y769 HydrophobicContact CG2-CE1 4.42Å; I713-Y769 HydrophobicContact CG2-CE2 3.85Å; I713-Y769 HydrophobicContact CG2-CG 4.02Å; I713-Y769 WeakPolarHBondContact O-CD1 3.33Å; I713-Y769 WeakPolarHBondContact O-CE1 3.31Å |
| 714 | H | 67.9 | Low | 70.9 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.389 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -67.2 | 131.7 | -177.8 | -167.4 | -84.4 | 0 | 0 | 0 | 111 | K710 V711 A712 K716 F717 A718 | K710-H714 VanDerWaalsContact O-CB 3.3Å; K710-H714 WeakPolarHBondContact O-CB 3.25Å; K710-H714 PolarHBondContact O-N 3.17Å; K710-H714 VanDerWaalsContact O-N 3.13Å; V711-H714 WeakPolarHBondContact O-CB 3.33Å; V711-H714 PolarHBondContact O-N 2.96Å; A712-H714 PolarHBondContact O-N 3.04Å; H714-K716 WeakPolarHBondContact ND1-CB 3.43Å; H714-K716 PolarHBondContact ND1-N 3.16Å; H714-K716 PolarHBondContact O-N 3.21Å; H714-F717 HydrophobicContact CB-CD2 3.98Å; H714-F717 PolarHBondContact O-N 3.13Å; H714-A718 PolarHBondContact O-N 3.26Å; H714-A718 VanDerWaalsContact O-N 3.09Å |
| 715 | P | 64.1 | Low | 69.3 | Low | 81.6667 Ų | 81.6667 | 63.1 Ų | 63.1 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.1 | -28.9 | -173.5 | -11.9 | 12 | 0 | 0 | 0 | 114.5 | A719 Y769 | P715-A719 WeakPolarHBondContact O-CB 3.32Å; P715-A719 PolarHBondContact O-N 3.28Å; P715-Y769 HydrophobicContact CB-CE1 4.45Å |
| 716 | K | 60.6 | Low | 68 | Low | 168 Ų | 168 | 64.5 Ų | 64.5 | 73% | 0.73 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.8 | -32.7 | 176.3 | -65.8 | -178.5 | -177.6 | 178.2 | 0 | 113.9 | H714 | H714-K716 WeakPolarHBondContact ND1-CB 3.43Å; H714-K716 PolarHBondContact ND1-N 3.16Å; H714-K716 PolarHBondContact O-N 3.21Å |
| 717 | F | 57.2 | Low | 67.1 | Low | 98.6667 Ų | 98.6667 | 66.2 Ų | 66.2 | 43% | 0.433 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -84.6 | -39.3 | 179 | -82.5 | -77.8 | 0 | 0 | 0 | 110.7 | V711 H714 A719 D720 S723 | V711-F717 HydrophobicContact CG1-CD1 4.41Å; V711-F717 HydrophobicContact CG1-CD2 4.02Å; V711-F717 HydrophobicContact CG1-CE1 4.31Å; V711-F717 HydrophobicContact CG1-CE2 3.96Å; V711-F717 HydrophobicContact CG1-CG 4.37Å; V711-F717 HydrophobicContact CG1-CZ 4.1Å; V711-F717 WeakPolarHBondContact O-CB 3.44Å; V711-F717 VanDerWaalsContact O-CD2 3.27Å; V711-F717 WeakPolarHBondContact O-CD2 3.38Å; H714-F717 HydrophobicContact CB-CD2 3.98Å; H714-F717 PolarHBondContact O-N 3.13Å; F717-A719 PolarHBondContact O-N 2.98Å; F717-A719 VanDerWaalsContact O-N 3.12Å; F717-D720 WeakPolarHBondContact O-CB 3.38Å; F717-D720 PolarHBondContact O-N 2.97Å; F717-S723 PolarHBondContact O-OG 3.21Å |
| 718 | A | 57.5 | Low | 66.7 | Low | 43.3333 Ų | 43.3333 | 60.8 Ų | 60.8 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.7 | -23.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H714 L725 Y769 | H714-A718 PolarHBondContact O-N 3.26Å; H714-A718 VanDerWaalsContact O-N 3.09Å; A718-L725 HydrophobicContact CB-CD1 4.14Å; A718-Y769 HydrophobicContact CB-CD1 3.61Å; A718-Y769 HydrophobicContact CB-CE1 4.21Å |
| 719 | A | 58.9 | Low | 66.6 | Low | 80.3333 Ų | 80.3333 | 60 Ų | 60 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P715 F717 P721 | P715-A719 WeakPolarHBondContact O-CB 3.32Å; P715-A719 PolarHBondContact O-N 3.28Å; F717-A719 PolarHBondContact O-N 2.98Å; F717-A719 VanDerWaalsContact O-N 3.12Å; A719-P721 WeakPolarHBondContact O-CD 3.43Å |
| 720 | D | 57.5 | Low | 66.5 | Low | 74 Ų | 74 | 60 Ų | 60 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | trans | -89.8 | 110.9 | -179.5 | -167.5 | -19.8 | 0 | 0 | 0 | 110.1 | F717 S722 S723 | F717-D720 WeakPolarHBondContact O-CB 3.38Å; F717-D720 PolarHBondContact O-N 2.97Å; D720-S722 PolarHBondContact O-N 3.2Å; D720-S722 VanDerWaalsContact O-N 3.08Å; D720-S722 WeakPolarHBondContact OD1-CB 3.44Å; D720-S722 PolarHBondContact OD1-N 3.01Å; D720-S722 VanDerWaalsContact OD1-N 3.09Å; D720-S722 PolarHBondContact OD1-OG 3.24Å; D720-S722 PolarHBondContact OD2-OG 3.08Å; D720-S723 PolarHBondContact O-N 2.92Å; D720-S723 VanDerWaalsContact O-N 3.15Å; D720-S723 PolarHBondContact O-OG 3.19Å; D720-S723 VanDerWaalsContact O-OG 3.05Å | ||
| 721 | P | 53 | Low | 66.8 | Low | 132.333 Ų | 132.333 | 55.6 Ų | 55.6 | 86% | 0.859 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13.1 | -178.5 | 27.4 | -34.9 | 0 | 0 | 0 | 113.3 | A719 | A719-P721 WeakPolarHBondContact O-CD 3.43Š|
| 722 | S | 52.8 | Low | 67.1 | Low | 99 Ų | 99 | 52.3 Ų | 52.3 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.9 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | D720 S724 | D720-S722 PolarHBondContact O-N 3.2Å; D720-S722 VanDerWaalsContact O-N 3.08Å; D720-S722 WeakPolarHBondContact OD1-CB 3.44Å; D720-S722 PolarHBondContact OD1-N 3.01Å; D720-S722 VanDerWaalsContact OD1-N 3.09Å; D720-S722 PolarHBondContact OD1-OG 3.24Å; D720-S722 PolarHBondContact OD2-OG 3.08Å; S722-S724 PolarHBondContact O-N 3.03Å |
| 723 | S | 52 | Low | 67.7 | Low | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -95.1 | 91.1 | 175.6 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | F717 D720 L725 | F717-S723 PolarHBondContact O-OG 3.21Å; D720-S723 PolarHBondContact O-N 2.92Å; D720-S723 VanDerWaalsContact O-N 3.15Å; D720-S723 PolarHBondContact O-OG 3.19Å; D720-S723 VanDerWaalsContact O-OG 3.05Å; S723-L725 PolarHBondContact O-N 3.34Å; S723-L725 VanDerWaalsContact O-N 3.16Å |
| 724 | S | 54 | Low | 68.3 | Low | 50.6667 Ų | 50.6667 | 55.3 Ų | 55.3 | 35% | 0.354 | 32% | 0.324 | S | S | . | . | trans | -68.5 | 123.4 | 170.5 | 63 | 0 | 0 | 0 | 0 | 109.2 | V669 S722 D726 T727 | V669-S724 VanDerWaalsContact CG1-OG 3.28Å; V669-S724 WeakPolarHBondContact CG1-OG 3.38Å; S722-S724 PolarHBondContact O-N 3.03Å; S724-D726 VanDerWaalsContact CB-OD2 3.27Å; S724-D726 WeakPolarHBondContact CB-OD2 3.44Å; S724-D726 PolarHBondContact O-N 3.21Å; S724-D726 PolarHBondContact OG-OD2 3.38Å; S724-T727 PolarHBondContact O-N 3.19Å | ||
| 725 | L | 58.9 | Low | 69 | Low | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -65 | 6.7 | 174.3 | -115.8 | 110.5 | 0 | 0 | 0 | 113.8 | A712 I713 A718 S723 T727 V728 Y769 I770 | A712-L725 HydrophobicContact CB-CD1 4.12Å; A712-L725 HydrophobicContact CB-CD2 3.97Å; A712-L725 HydrophobicContact CB-CG 4.1Å; A712-L725 WeakPolarHBondContact O-CD1 3.43Å; A712-L725 WeakPolarHBondContact O-CD2 3.33Å; I713-L725 HydrophobicContact CG1-CD2 4.49Å; A718-L725 HydrophobicContact CB-CD1 4.14Å; S723-L725 PolarHBondContact O-N 3.34Å; S723-L725 VanDerWaalsContact O-N 3.16Å; L725-T727 PolarHBondContact O-N 3.17Å; L725-V728 HydrophobicContact CD2-CG2 4.34Å; L725-V728 PolarHBondContact O-N 3.08Å; L725-V728 VanDerWaalsContact O-N 3.15Å; L725-Y769 VanDerWaalsContact CB-O 3.31Å; L725-Y769 WeakPolarHBondContact CB-O 3.47Å; L725-Y769 WeakPolarHBondContact CD1-O 3.48Å; L725-Y769 VanDerWaalsContact CD2-O 3.26Å; L725-Y769 WeakPolarHBondContact CD2-O 3.31Å; L725-Y769 WeakPolarHBondContact CG-O 3.4Å; L725-I770 HydrophobicContact CD2-CB 4.19Å; L725-I770 HydrophobicContact CD2-CG1 4.2Å |
| 726 | D | 67.4 | Low | 70.2 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -58.3 | -13.3 | 169.6 | -64.7 | -32.7 | 0 | 0 | 0 | 112.8 | V669 Q672 S724 V728 N729 S771 | V669-D726 HydrophobicContact CG2-CB 4.17Å; Q672-D726 PolarHBondContact NE2-OD2 3.18Å; S724-D726 VanDerWaalsContact CB-OD2 3.27Å; S724-D726 WeakPolarHBondContact CB-OD2 3.44Å; S724-D726 PolarHBondContact O-N 3.21Å; S724-D726 PolarHBondContact OG-OD2 3.38Å; D726-V728 PolarHBondContact O-N 3.38Å; D726-V728 VanDerWaalsContact O-N 3.13Å; D726-N729 WeakPolarHBondContact CA-ND2 3.48Å; D726-N729 WeakPolarHBondContact O-CB 3.48Å; D726-N729 PolarHBondContact O-N 3Å; D726-N729 VanDerWaalsContact O-N 3.16Å; D726-N729 PolarHBondContact OD1-ND2 3.2Å; D726-N729 VanDerWaalsContact OD1-ND2 3.1Å; D726-S771 PolarHBondContact OD1-OG 3.12Å |
| 727 | T | 73.3 | Confident | 71.7 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -55.3 | -24.8 | 174.1 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | S665 V669 S724 L725 F730 | S665-T727 WeakPolarHBondContact CB-O 3.42Å; S665-T727 WeakPolarHBondContact OG-CA 3.49Å; S665-T727 VanDerWaalsContact OG-CB 3.29Å; S665-T727 WeakPolarHBondContact OG-CB 3.17Å; S665-T727 PolarHBondContact OG-O 3.27Å; V669-T727 HydrophobicContact CG2-CG2 3.75Å; S724-T727 PolarHBondContact O-N 3.19Å; L725-T727 PolarHBondContact O-N 3.17Å; T727-F730 VanDerWaalsContact O-CD1 3.22Å; T727-F730 WeakPolarHBondContact O-CD1 3.37Å; T727-F730 WeakPolarHBondContact O-CE1 3.3Å |
| 728 | V | 81.3 | Confident | 73.1 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -103.5 | -9.3 | -176.9 | -140.3 | 0 | 0 | 0 | 0 | 112.7 | L709 A712 L725 D726 F730 L731 L763 I770 | L709-V728 HydrophobicContact CD2-CB 4.36Å; L709-V728 HydrophobicContact CD2-CG1 3.53Å; L709-V728 HydrophobicContact CD2-CG2 4.25Å; L709-V728 HydrophobicContact CG-CG1 4.45Å; A712-V728 HydrophobicContact CB-CG1 3.85Å; A712-V728 HydrophobicContact CB-CG2 3.62Å; L725-V728 HydrophobicContact CD2-CG2 4.34Å; L725-V728 PolarHBondContact O-N 3.08Å; L725-V728 VanDerWaalsContact O-N 3.15Å; D726-V728 PolarHBondContact O-N 3.38Å; D726-V728 VanDerWaalsContact O-N 3.13Å; V728-F730 PolarHBondContact O-N 3.21Å; V728-F730 VanDerWaalsContact O-N 3.15Å; V728-L731 HydrophobicContact CB-CD1 4.39Å; V728-L731 HydrophobicContact CG1-CB 4.48Å; V728-L731 HydrophobicContact CG1-CD1 3.63Å; V728-L731 HydrophobicContact CG1-CG 4.29Å; V728-L731 WeakPolarHBondContact O-CB 3.37Å; V728-L731 PolarHBondContact O-N 3.08Å; V728-L763 HydrophobicContact CG1-CD1 4.02Å; V728-I770 HydrophobicContact CG2-CD1 3.93Å; V728-I770 HydrophobicContact CG2-CG1 4.23Å |
| 729 | N | 82.9 | Confident | 74.5 | Confident | 14.6667 Ų | 14.6667 | 35.6 Ų | 35.6 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.9 | -23.4 | -173.8 | -76.7 | -14.5 | 0 | 0 | 0 | 113.8 | Y668 D726 L731 L732 | Y668-N729 HydrophobicContact CD1-CB 3.98Å; Y668-N729 HydrophobicContact CE1-CB 3.37Å; D726-N729 WeakPolarHBondContact CA-ND2 3.48Å; D726-N729 WeakPolarHBondContact O-CB 3.48Å; D726-N729 PolarHBondContact O-N 3Å; D726-N729 VanDerWaalsContact O-N 3.16Å; D726-N729 PolarHBondContact OD1-ND2 3.2Å; D726-N729 VanDerWaalsContact OD1-ND2 3.1Å; N729-L731 PolarHBondContact O-N 3.34Å; N729-L732 WeakPolarHBondContact O-CB 3.38Å; N729-L732 PolarHBondContact O-N 3.02Å; N729-L732 VanDerWaalsContact O-N 3.08Å |
| 730 | F | 86.3 | Confident | 76.1 | Confident | 1.33333 Ų | 1.33333 | 31.8 Ų | 31.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -64 | -18.8 | 173.3 | 79.9 | -87.3 | 0 | 0 | 0 | 113.5 | V661 L664 Y668 H683 L686 T727 V728 L732 I736 | V661-F730 HydrophobicContact CG1-CE2 4.47Å; V661-F730 HydrophobicContact CG1-CZ 4.07Å; L664-F730 HydrophobicContact CD2-CD2 3.48Å; L664-F730 VanDerWaalsContact CD2-CD2 3.48Å; L664-F730 HydrophobicContact CD2-CE2 3.83Å; L664-F730 HydrophobicContact CD2-CG 4.26Å; L664-F730 HydrophobicContact CG-CB 4.45Å; L664-F730 HydrophobicContact CG-CD2 3.85Å; L664-F730 HydrophobicContact CG-CE2 4.28Å; L664-F730 HydrophobicContact CG-CG 4.16Å; Y668-F730 HydrophobicContact CD2-CB 3.63Å; Y668-F730 HydrophobicContact CE2-CB 4.14Å; Y668-F730 HydrophobicContact CG-CB 3.92Å; H683-F730 PolarHBondContact CD2-O 3.2Å; H683-F730 VanDerWaalsContact CD2-O 3.23Å; H683-F730 PolarHBondContact NE2-O 3.07Å; H683-F730 VanDerWaalsContact NE2-O 3.16Å; L686-F730 HydrophobicContact CD1-CE2 4.47Å; L686-F730 HydrophobicContact CD2-CD2 3.81Å; L686-F730 HydrophobicContact CD2-CE2 3.58Å; T727-F730 VanDerWaalsContact O-CD1 3.22Å; T727-F730 WeakPolarHBondContact O-CD1 3.37Å; T727-F730 WeakPolarHBondContact O-CE1 3.3Å; V728-F730 PolarHBondContact O-N 3.21Å; V728-F730 VanDerWaalsContact O-N 3.15Å; F730-L732 VanDerWaalsContact C-N 3.34Å; F730-I736 VanDerWaalsContact O-CD1 3.28Å; F730-I736 WeakPolarHBondContact O-CD1 3.24Å |
| 731 | L | 89.6 | Confident | 77.6 | Confident | 2.66667 Ų | 2.66667 | 28.3 Ų | 28.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -80.2 | -19.4 | 174.4 | -60.3 | 175.9 | 0 | 0 | 0 | 112.3 | L686 I705 L709 V728 N729 E733 I736 L737 W740 | L686-L731 HydrophobicContact CD2-CD2 4.07Å; I705-L731 HydrophobicContact CD1-CD2 4.26Å; I705-L731 HydrophobicContact CG1-CD2 4.42Å; I705-L731 HydrophobicContact CG2-CD1 3.77Å; I705-L731 HydrophobicContact CG2-CD2 4.34Å; L709-L731 HydrophobicContact CD1-CD1 4.42Å; L709-L731 HydrophobicContact CD2-CD1 4.35Å; L709-L731 HydrophobicContact CG-CD1 4.39Å; V728-L731 HydrophobicContact CB-CD1 4.39Å; V728-L731 HydrophobicContact CG1-CB 4.48Å; V728-L731 HydrophobicContact CG1-CD1 3.63Å; V728-L731 HydrophobicContact CG1-CG 4.29Å; V728-L731 WeakPolarHBondContact O-CB 3.37Å; V728-L731 PolarHBondContact O-N 3.08Å; N729-L731 PolarHBondContact O-N 3.34Å; L731-E733 PolarHBondContact O-N 3.33Å; L731-I736 HydrophobicContact CD2-CG2 4.42Å; L731-L737 VanDerWaalsContact O-CD2 3.28Å; L731-L737 WeakPolarHBondContact O-CD2 3.47Å; L731-W740 HydrophobicContact CD1-CH2 4.46Å; L731-W740 HydrophobicContact CD1-CZ3 4.13Å; L731-W740 HydrophobicContact CD2-CZ3 4.36Å |
| 732 | L | 87.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -83.2 | 52.3 | -176.5 | -56.6 | -177.4 | 0 | 0 | 0 | 111.6 | N729 F730 L763 I770 G774 K777 L778 | N729-L732 WeakPolarHBondContact O-CB 3.38Å; N729-L732 PolarHBondContact O-N 3.02Å; N729-L732 VanDerWaalsContact O-N 3.08Å; F730-L732 VanDerWaalsContact C-N 3.34Å; L732-L763 HydrophobicContact CD2-CD1 4.21Å; L732-L763 HydrophobicContact CD2-CD2 4.48Å; L732-I770 HydrophobicContact CD1-CD1 3.86Å; L732-G774 VanDerWaalsContact CD1-O 3.25Å; L732-G774 WeakPolarHBondContact CD1-O 3.41Å; L732-K777 HydrophobicContact CB-CD 4.04Å; L732-K777 HydrophobicContact CD1-CB 4.5Å; L732-K777 WeakPolarHBondContact O-CD 3.31Å; L732-K777 WeakPolarHBondContact O-CE 3.4Å; L732-K777 PolarHBondContact O-NZ 3.34Å; L732-L778 HydrophobicContact CD2-CB 4Å; L732-L778 HydrophobicContact CD2-CD1 3.84Å; L732-L778 HydrophobicContact CD2-CG 4.35Å | ||
| 733 | E | 86.6 | Confident | 80.8 | Confident | 65 Ų | 65 | 19.8 Ų | 19.8 | 30% | 0.304 | 11% | 0.11 | S | C | . | . | trans | -119.7 | 138.4 | 172.1 | -67 | -61.9 | 150.2 | 0 | 0 | 109.2 | L731 E735 I736 L737 K777 | L731-E733 PolarHBondContact O-N 3.33Å; E733-E735 VanDerWaalsContact C-N 3.26Å; E733-E735 PolarHBondContact O-N 3.17Å; E733-I736 HydrophobicContact CB-CB 4.47Å; E733-I736 HydrophobicContact CB-CD1 4.07Å; E733-I736 HydrophobicContact CB-CG1 4.36Å; E733-I736 HydrophobicContact CG-CD1 4.44Å; E733-I736 PolarHBondContact O-N 3.21Å; E733-I736 VanDerWaalsContact O-N 3.07Å; E733-L737 PolarHBondContact O-N 2.89Å; E733-K777 IonicContact OE1-NZ 3.44Å; E733-K777 PolarHBondContact OE1-NZ 2.95Å | ||
| 734 | D | 83.7 | Confident | 82.6 | Confident | 26.6667 Ų | 26.6667 | 17.9 Ų | 17.9 | 14% | 0.143 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -52.6 | -45.1 | -176.8 | 176.7 | 47.5 | 0 | 0 | 0 | 112.2 | I736 L737 C738 L781 F795 | D734-I736 VanDerWaalsContact C-N 3.3Å; D734-I736 PolarHBondContact O-N 2.88Å; D734-L737 PolarHBondContact O-N 3.13Å; D734-C738 WeakPolarHBondContact O-CB 3.26Å; D734-C738 PolarHBondContact O-N 3.22Å; D734-C738 PolarHBondContact O-SG 3.22Å; D734-C738 VanDerWaalsContact O-SG 3.33Å; D734-C738 PolarHBondContact OD1-SG 3.31Å; D734-C738 VanDerWaalsContact OD1-SG 3.34Å; D734-L781 HydrophobicContact CB-CD2 3.92Å; D734-F795 HydrophobicContact CB-CD1 3.72Å; D734-F795 HydrophobicContact CB-CE1 3.56Å; D734-F795 VanDerWaalsContact CB-CE1 3.42Å; D734-F795 VanDerWaalsContact CG-CD1 3.48Å; D734-F795 WeakPolarHBondContact OD2-CD1 3.36Å |
| 735 | E | 84.1 | Confident | 84.3 | Confident | 36.6667 Ų | 36.6667 | 16.2 Ų | 16.2 | 17% | 0.171 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | -176.9 | -54.9 | -159.7 | 179.6 | 0 | 0 | 111.8 | W680 L687 E733 E739 K793 K1166 | W680-E735 WeakPolarHBondContact CH2-OE2 3.45Å; W680-E735 WeakPolarHBondContact CZ3-OE2 3.4Å; L687-E735 HydrophobicContact CD1-CB 4Å; L687-E735 HydrophobicContact CD2-CB 4.46Å; L687-E735 WeakPolarHBondContact CD2-O 3.41Å; E733-E735 VanDerWaalsContact C-N 3.26Å; E733-E735 PolarHBondContact O-N 3.17Å; E735-E739 WeakPolarHBondContact O-CB 3.29Å; E735-E739 PolarHBondContact O-N 3.11Å; E735-K793 IonicContact OE1-NZ 3.14Å; E735-K793 PolarHBondContact OE1-NZ 3.28Å; E735-K1166 IonicContact OE1-NZ 3.16Å; E735-K1166 PolarHBondContact OE1-NZ 3.22Å; E735-K1166 IonicContact OE2-NZ 3.08Å; E735-K1166 PolarHBondContact OE2-NZ 3.26Å; E735-K1166 VanDerWaalsContact OE2-NZ 3.09Å |
| 736 | I | 89.7 | Confident | 85.6 | Confident | 0.333333 Ų | 0.333333 | 19.4 Ų | 19.4 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.8 | -48.6 | 178.4 | -68 | 168.4 | 0 | 0 | 0 | 110.5 | H683 L686 L687 L690 F730 L731 E733 D734 C738 E739 W740 | H683-I736 HydrophobicContact CB-CD1 4.06Å; H683-I736 VanDerWaalsContact CD2-CD1 3.4Å; H683-I736 WeakPolarHBondContact CD2-CD1 3.48Å; L686-I736 HydrophobicContact CD2-CD1 3.67Å; L686-I736 HydrophobicContact CD2-CG1 4.27Å; L686-I736 HydrophobicContact CD2-CG2 4.36Å; L687-I736 HydrophobicContact CD2-CB 4.45Å; L687-I736 HydrophobicContact CD2-CG1 3.88Å; L687-I736 HydrophobicContact CG-CG1 4.08Å; L690-I736 HydrophobicContact CD1-CG2 4.09Å; F730-I736 VanDerWaalsContact O-CD1 3.28Å; F730-I736 WeakPolarHBondContact O-CD1 3.24Å; L731-I736 HydrophobicContact CD2-CG2 4.42Å; E733-I736 HydrophobicContact CB-CB 4.47Å; E733-I736 HydrophobicContact CB-CD1 4.07Å; E733-I736 HydrophobicContact CB-CG1 4.36Å; E733-I736 HydrophobicContact CG-CD1 4.44Å; E733-I736 PolarHBondContact O-N 3.21Å; E733-I736 VanDerWaalsContact O-N 3.07Å; D734-I736 VanDerWaalsContact C-N 3.3Å; D734-I736 PolarHBondContact O-N 2.88Å; I736-C738 VanDerWaalsContact C-N 3.31Å; I736-C738 PolarHBondContact O-N 3.19Å; I736-E739 PolarHBondContact O-N 3Å; I736-W740 WeakPolarHBondContact O-CB 3.38Å; I736-W740 PolarHBondContact O-N 3.25Å |
| 737 | L | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.8 | -35.9 | 179.3 | -59.1 | 179.2 | 0 | 0 | 0 | 111.3 | L731 E733 D734 W740 I741 F760 L763 L778 L781 L798 | L731-L737 VanDerWaalsContact O-CD2 3.28Å; L731-L737 WeakPolarHBondContact O-CD2 3.47Å; E733-L737 PolarHBondContact O-N 2.89Å; D734-L737 PolarHBondContact O-N 3.13Å; L737-W740 HydrophobicContact CD2-CE3 4.47Å; L737-W740 PolarHBondContact O-N 3.38Å; L737-I741 WeakPolarHBondContact O-CB 3.32Å; L737-I741 VanDerWaalsContact O-CG1 3.24Å; L737-I741 WeakPolarHBondContact O-CG1 3.26Å; L737-I741 PolarHBondContact O-N 3.45Å; L737-F760 HydrophobicContact CD2-CE2 3.99Å; L737-L763 HydrophobicContact CD2-CD2 3.91Å; L737-L778 HydrophobicContact CD1-CD1 4.09Å; L737-L781 HydrophobicContact CD1-CB 4.37Å; L737-L781 HydrophobicContact CD1-CD1 3.81Å; L737-L798 HydrophobicContact CB-CD1 3.47Å; L737-L798 VanDerWaalsContact CB-CD1 3.47Å; L737-L798 HydrophobicContact CD1-CD1 3.64Å; L737-L798 HydrophobicContact CG-CD1 4.22Å |
| 738 | C | 86.6 | Confident | 87.2 | Confident | 14 Ų | 14 | 26 Ų | 26 | 10% | 0.095 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -47.9 | 171.5 | -84.7 | 0 | 0 | 0 | 0 | 111.8 | D734 I736 W740 N742 R796 L798 | D734-C738 WeakPolarHBondContact O-CB 3.26Å; D734-C738 PolarHBondContact O-N 3.22Å; D734-C738 PolarHBondContact O-SG 3.22Å; D734-C738 VanDerWaalsContact O-SG 3.33Å; D734-C738 PolarHBondContact OD1-SG 3.31Å; D734-C738 VanDerWaalsContact OD1-SG 3.34Å; I736-C738 VanDerWaalsContact C-N 3.31Å; I736-C738 PolarHBondContact O-N 3.19Å; C738-W740 VanDerWaalsContact C-N 3.32Å; C738-N742 VanDerWaalsContact O-CB 3.31Å; C738-N742 WeakPolarHBondContact O-CB 3.46Å; C738-N742 PolarHBondContact O-N 2.98Å; C738-N742 PolarHBondContact O-ND2 3.1Å; C738-R796 PolarHBondContact SG-NH2 3.27Å; C738-L798 HydrophobicContact CB-CD2 4.48Å; C738-L798 WeakPolarHBondContact SG-CD2 3.3Å |
| 739 | E | 87.8 | Confident | 87.7 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 178.6 | -172.4 | 66.2 | -150.4 | 0 | 0 | 110.6 | L687 L690 S691 E735 I736 F743 G744 S1165 | L687-E739 HydrophobicContact CD2-CB 3.92Å; L687-E739 HydrophobicContact CD2-CG 4.35Å; L690-E739 HydrophobicContact CB-CG 4.25Å; S691-E739 VanDerWaalsContact CB-OE1 3.31Å; S691-E739 WeakPolarHBondContact CB-OE1 3.27Å; E735-E739 WeakPolarHBondContact O-CB 3.29Å; E735-E739 PolarHBondContact O-N 3.11Å; I736-E739 PolarHBondContact O-N 3Å; E739-F743 VanDerWaalsContact CD-CD2 3.41Å; E739-F743 HydrophobicContact CG-CD2 4.4Å; E739-F743 WeakPolarHBondContact O-CA 3.43Å; E739-F743 WeakPolarHBondContact O-CB 3.37Å; E739-F743 PolarHBondContact O-N 3.36Å; E739-F743 VanDerWaalsContact OE1-CD2 3.29Å; E739-F743 WeakPolarHBondContact OE1-CD2 3.29Å; E739-F743 WeakPolarHBondContact OE2-CD2 3.26Å; E739-G744 PolarHBondContact O-N 3.23Å; E739-G744 VanDerWaalsContact O-N 3.09Å; E739-S1165 PolarHBondContact OE1-OG 3.08Å; E739-S1165 WeakPolarHBondContact OE2-CB 3.28Å; E739-S1165 PolarHBondContact OE2-OG 3.14Å |
| 740 | W | 91.8 | Very high | 88 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -62.4 | -50.6 | 178.8 | -161.6 | -25.4 | 0 | 0 | 0 | 112.4 | Y702 I705 L709 L731 I736 L737 C738 G744 L745 A756 F760 L763 | Y702-W740 HydrophobicContact CD1-CZ2 4.42Å; Y702-W740 AromaticContact CE1-CD1 3.65Å; Y702-W740 HydrophobicContact CE1-CD2 4.06Å; Y702-W740 AromaticContact CE1-CE2 3.81Å; Y702-W740 AromaticContact CE1-CG 3.95Å; Y702-W740 HydrophobicContact CE1-CG 3.95Å; Y702-W740 HydrophobicContact CE1-CZ2 4.49Å; Y702-W740 AromaticContact CE1-NE1 3.57Å; I705-W740 HydrophobicContact CG2-CH2 3.42Å; I705-W740 VanDerWaalsContact CG2-CH2 3.42Å; I705-W740 HydrophobicContact CG2-CZ2 4.22Å; I705-W740 HydrophobicContact CG2-CZ3 3.97Å; L709-W740 HydrophobicContact CD1-CH2 3.94Å; L731-W740 HydrophobicContact CD1-CH2 4.46Å; L731-W740 HydrophobicContact CD1-CZ3 4.13Å; L731-W740 HydrophobicContact CD2-CZ3 4.36Å; I736-W740 WeakPolarHBondContact O-CB 3.38Å; I736-W740 PolarHBondContact O-N 3.25Å; L737-W740 HydrophobicContact CD2-CE3 4.47Å; L737-W740 PolarHBondContact O-N 3.38Å; C738-W740 VanDerWaalsContact C-N 3.32Å; W740-G744 CarbonylContact O-C 3.48Å; W740-G744 WeakPolarHBondContact O-CA 3.39Å; W740-G744 PolarHBondContact O-N 3.27Å; W740-L745 PolarHBondContact O-N 3.13Å; W740-A756 PolarHBondContact NE1-O 2.91Å; W740-F760 AromaticContact CD2-CD2 3.84Å; W740-F760 HydrophobicContact CD2-CD2 3.91Å; W740-F760 AromaticContact CE2-CD2 3.95Å; W740-F760 HydrophobicContact CE3-CD2 4.24Å; W740-F760 HydrophobicContact CG-CD2 4.19Å; W740-F760 HydrophobicContact CZ2-CB 4.14Å; W740-F760 HydrophobicContact CZ2-CD2 4.4Å; W740-L763 HydrophobicContact CZ3-CD2 4.35Å |
| 741 | I | 89.7 | Confident | 88.3 | Confident | 0.333333 Ų | 0.333333 | 36.3 Ų | 36.3 | 0% | 0.002 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -70.4 | -45.2 | -177 | -62.8 | 166.8 | 0 | 0 | 0 | 111.2 | L737 L745 F760 L798 F805 | L737-I741 WeakPolarHBondContact O-CB 3.32Å; L737-I741 VanDerWaalsContact O-CG1 3.24Å; L737-I741 WeakPolarHBondContact O-CG1 3.26Å; L737-I741 PolarHBondContact O-N 3.45Å; I741-L745 HydrophobicContact CB-CD1 4.42Å; I741-L745 HydrophobicContact CG1-CD1 4.49Å; I741-L745 HydrophobicContact CG2-CD1 4.24Å; I741-F760 HydrophobicContact CD1-CE1 4.01Å; I741-F760 HydrophobicContact CD1-CE2 4.42Å; I741-F760 HydrophobicContact CD1-CZ 3.59Å; I741-F760 HydrophobicContact CG1-CD1 4.45Å; I741-F760 HydrophobicContact CG1-CE1 3.74Å; I741-F760 HydrophobicContact CG1-CE2 4.14Å; I741-F760 HydrophobicContact CG1-CZ 3.55Å; I741-L798 HydrophobicContact CD1-CB 3.88Å; I741-L798 HydrophobicContact CD1-CD1 4.28Å; I741-L798 HydrophobicContact CD1-CD2 4.22Å; I741-L798 HydrophobicContact CD1-CG 4.36Å; I741-F805 HydrophobicContact CG2-CE2 4.3Å |
| 742 | N | 85.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -81.6 | -32.7 | -171.2 | -61.1 | -58.2 | 0 | 0 | 0 | 112.9 | C738 R796 S801 F1163 | C738-N742 VanDerWaalsContact O-CB 3.31Å; C738-N742 WeakPolarHBondContact O-CB 3.46Å; C738-N742 PolarHBondContact O-N 2.98Å; C738-N742 PolarHBondContact O-ND2 3.1Å; N742-R796 PolarHBondContact ND2-NH2 3.35Å; N742-S801 VanDerWaalsContact OD1-CB 3.25Å; N742-S801 WeakPolarHBondContact OD1-CB 3.42Å; N742-S801 PolarHBondContact OD1-OG 3.07Å; N742-F1163 HydrophobicContact CB-CD2 4.34Å; N742-F1163 WeakPolarHBondContact OD1-CD2 3.38Å |
| 743 | F | 87 | Confident | 88.7 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -118 | -37.6 | -176.5 | -53.8 | -74.8 | 0 | 0 | 0 | 113 | E739 K746 D747 F1163 S1165 | E739-F743 VanDerWaalsContact CD-CD2 3.41Å; E739-F743 HydrophobicContact CG-CD2 4.4Å; E739-F743 WeakPolarHBondContact O-CA 3.43Å; E739-F743 WeakPolarHBondContact O-CB 3.37Å; E739-F743 PolarHBondContact O-N 3.36Å; E739-F743 VanDerWaalsContact OE1-CD2 3.29Å; E739-F743 WeakPolarHBondContact OE1-CD2 3.29Å; E739-F743 WeakPolarHBondContact OE2-CD2 3.26Å; F743-K746 CarbonylContact O-C 3.5Å; F743-D747 VanDerWaalsContact O-CA 3.31Å; F743-D747 WeakPolarHBondContact O-CA 3.36Å; F743-D747 PolarHBondContact O-N 3.14Å; F743-F1163 HydrophobicContact CZ-CB 4.32Å; F743-F1163 WeakPolarHBondContact CZ-O 3.31Å; F743-S1165 VanDerWaalsContact CZ-N 3.26Å |
| 744 | G | 90.3 | Very high | 89 | Confident | 0.666667 Ų | 0.666667 | 37.3 Ų | 37.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -65.8 | -51.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y702 E739 W740 K746 D747 A753 | Y702-G744 WeakPolarHBondContact OH-CA 3.26Å; E739-G744 PolarHBondContact O-N 3.23Å; E739-G744 VanDerWaalsContact O-N 3.09Å; W740-G744 CarbonylContact O-C 3.48Å; W740-G744 WeakPolarHBondContact O-CA 3.39Å; W740-G744 PolarHBondContact O-N 3.27Å; G744-K746 PolarHBondContact O-N 3.04Å; G744-D747 WeakPolarHBondContact O-CB 3.14Å; G744-D747 PolarHBondContact O-N 3.12Å; G744-A753 WeakPolarHBondContact O-CA 3.05Å |
| 745 | L | 89.8 | Confident | 89.4 | Confident | 16.3333 Ų | 16.3333 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21 | 179.8 | -63.3 | -179.2 | 0 | 0 | 0 | 113.4 | W740 I741 A756 C757 F760 F805 L820 | W740-L745 PolarHBondContact O-N 3.13Å; I741-L745 HydrophobicContact CB-CD1 4.42Å; I741-L745 HydrophobicContact CG1-CD1 4.49Å; I741-L745 HydrophobicContact CG2-CD1 4.24Å; L745-A756 HydrophobicContact CD2-CB 4.17Å; L745-C757 HydrophobicContact CD2-CB 4.18Å; L745-F760 HydrophobicContact CD1-CD1 4.33Å; L745-F760 HydrophobicContact CD2-CB 4.37Å; L745-F805 HydrophobicContact CB-CE1 3.87Å; L745-F805 HydrophobicContact CB-CE2 4.36Å; L745-F805 HydrophobicContact CB-CZ 3.56Å; L745-F805 HydrophobicContact CD1-CD1 4.5Å; L745-F805 HydrophobicContact CD1-CD2 4.17Å; L745-F805 HydrophobicContact CD1-CE1 4.16Å; L745-F805 HydrophobicContact CD1-CE2 3.76Å; L745-F805 HydrophobicContact CD1-CZ 3.75Å; L745-F805 HydrophobicContact CG-CZ 4.32Å; L745-L820 HydrophobicContact CD1-CD2 3.97Å; L745-L820 HydrophobicContact CD2-CD2 3.85Å |
| 746 | K | 85.6 | Confident | 89.9 | Confident | 87.3333 Ų | 87.3333 | 35.7 Ų | 35.7 | 38% | 0.38 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 22.7 | -179.9 | -58.8 | -176.4 | -179.5 | 179.4 | 0 | 111.8 | F743 G744 E748 F805 | F743-K746 CarbonylContact O-C 3.5Å; G744-K746 PolarHBondContact O-N 3.04Å; K746-E748 PolarHBondContact O-N 3.38Å; K746-F805 HydrophobicContact CD-CZ 4.45Å; K746-F805 HydrophobicContact CG-CZ 3.95Å |
| 747 | D | 88 | Confident | 90 | Very high | 19.3333 Ų | 19.3333 | 37.9 Ų | 37.9 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | trans | -59.4 | 139.7 | -178.9 | -161.9 | -69.6 | 0 | 0 | 0 | 109.6 | R698 F743 G744 N749 V752 A753 | R698-D747 IonicContact CZ-OD1 3.61Å; R698-D747 IonicContact CZ-OD2 2.81Å; R698-D747 IonicContact NE-OD1 3.41Å; R698-D747 IonicContact NE-OD2 3.25Å; R698-D747 PolarHBondContact NE-OD2 3.33Å; R698-D747 IonicContact NH2-OD1 3.88Å; R698-D747 PolarHBondContact NH2-OD1 3.15Å; R698-D747 IonicContact NH2-OD2 3.27Å; R698-D747 PolarHBondContact NH2-OD2 3.08Å; F743-D747 VanDerWaalsContact O-CA 3.31Å; F743-D747 WeakPolarHBondContact O-CA 3.36Å; F743-D747 PolarHBondContact O-N 3.14Å; G744-D747 WeakPolarHBondContact O-CB 3.14Å; G744-D747 PolarHBondContact O-N 3.12Å; D747-N749 PolarHBondContact O-N 2.96Å; D747-N749 WeakPolarHBondContact OD1-CB 3.41Å; D747-N749 PolarHBondContact OD1-N 3.28Å; D747-V752 HydrophobicContact CB-CB 4.01Å; D747-V752 HydrophobicContact CB-CG1 3.82Å; D747-V752 WeakPolarHBondContact OD2-CG1 2.9Å; D747-A753 HydrophobicContact CB-CB 4.45Å | ||
| 748 | E | 87 | Confident | 90 | Very high | 192 Ų | 192 | 41.4 Ų | 41.4 | 90% | 0.897 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -59.3 | -28 | 177.8 | -61.7 | -178 | 170.7 | 0 | 0 | 111.7 | K746 | K746-E748 PolarHBondContact O-N 3.38Š|
| 749 | N | 91.3 | Very high | 90.2 | Very high | 40.3333 Ų | 40.3333 | 40.8 Ų | 40.8 | 22% | 0.216 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -86.1 | 121.6 | 173.4 | -173.4 | -79.7 | 0 | 0 | 0 | 111.5 | V695 D747 E751 V752 A753 | V695-N749 HydrophobicContact CG1-CB 3.69Å; D747-N749 PolarHBondContact O-N 2.96Å; D747-N749 WeakPolarHBondContact OD1-CB 3.41Å; D747-N749 PolarHBondContact OD1-N 3.28Å; N749-E751 VanDerWaalsContact C-N 3.32Å; N749-E751 PolarHBondContact O-N 3.1Å; N749-E751 WeakPolarHBondContact OD1-CB 3.29Å; N749-E751 PolarHBondContact OD1-N 3.16Å; N749-V752 HydrophobicContact CB-CB 4.28Å; N749-V752 HydrophobicContact CB-CG2 4Å; N749-V752 PolarHBondContact O-N 2.93Å; N749-V752 PolarHBondContact OD1-N 3.09Å; N749-A753 PolarHBondContact O-N 3.12Å; N749-A753 VanDerWaalsContact O-N 3.09Å |
| 750 | P | 90.1 | Very high | 90.4 | Very high | 98.6667 Ų | 98.6667 | 40.3 Ų | 40.3 | 64% | 0.641 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.8 | -28.5 | -174.8 | 27.4 | -35.5 | 0 | 0 | 0 | 113.6 | S754 | P750-S754 WeakPolarHBondContact O-CB 3.3Å; P750-S754 PolarHBondContact O-N 3.23Å; P750-S754 PolarHBondContact O-OG 3.25Å |
| 751 | E | 92.2 | Very high | 90.2 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.8 | -41.6 | 177.3 | -57.6 | -176.6 | 146.2 | 0 | 0 | 110.8 | K699 N749 S754 L755 | K699-E751 VanDerWaalsContact CE-OE2 3.28Å; K699-E751 WeakPolarHBondContact CE-OE2 3.27Å; K699-E751 IonicContact NZ-OE1 3.24Å; K699-E751 IonicContact NZ-OE2 3.24Å; K699-E751 PolarHBondContact NZ-OE2 3.32Å; N749-E751 VanDerWaalsContact C-N 3.32Å; N749-E751 PolarHBondContact O-N 3.1Å; N749-E751 WeakPolarHBondContact OD1-CB 3.29Å; N749-E751 PolarHBondContact OD1-N 3.16Å; E751-S754 PolarHBondContact O-N 3.19Å; E751-S754 PolarHBondContact O-OG 3.13Å; E751-L755 WeakPolarHBondContact O-CG 3.37Å; E751-L755 PolarHBondContact O-N 2.99Å |
| 752 | V | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | V695 R698 K699 Y702 D747 N749 S754 L755 A756 | V695-V752 HydrophobicContact CG1-CG2 4.06Å; R698-V752 HydrophobicContact CB-CG1 4.27Å; R698-V752 HydrophobicContact CB-CG2 4.35Å; K699-V752 HydrophobicContact CB-CG2 4.02Å; Y702-V752 HydrophobicContact CD2-CG1 3.59Å; Y702-V752 HydrophobicContact CE2-CG1 3.79Å; D747-V752 HydrophobicContact CB-CB 4.01Å; D747-V752 HydrophobicContact CB-CG1 3.82Å; D747-V752 WeakPolarHBondContact OD2-CG1 2.9Å; N749-V752 HydrophobicContact CB-CB 4.28Å; N749-V752 HydrophobicContact CB-CG2 4Å; N749-V752 PolarHBondContact O-N 2.93Å; N749-V752 PolarHBondContact OD1-N 3.09Å; V752-S754 VanDerWaalsContact C-N 3.28Å; V752-S754 PolarHBondContact O-N 3.04Å; V752-L755 PolarHBondContact O-N 3.15Å; V752-A756 VanDerWaalsContact O-CB 3.31Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.2Å |
| 753 | A | 92.5 | Very high | 90.3 | Very high | 19.3333 Ų | 19.3333 | 41.8 Ų | 41.8 | 16% | 0.16 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G744 D747 N749 A756 C757 | G744-A753 WeakPolarHBondContact O-CA 3.05Å; D747-A753 HydrophobicContact CB-CB 4.45Å; N749-A753 PolarHBondContact O-N 3.12Å; N749-A753 VanDerWaalsContact O-N 3.09Å; A753-A756 PolarHBondContact O-N 2.96Å; A753-C757 WeakPolarHBondContact O-CB 3.39Å; A753-C757 PolarHBondContact O-N 3.1Å |
| 754 | S | 92.2 | Very high | 90.4 | Very high | 69.6667 Ų | 69.6667 | 39.7 Ų | 39.7 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 176.6 | 104.5 | 0 | 0 | 0 | 0 | 112.9 | P750 E751 V752 C757 E758 | P750-S754 WeakPolarHBondContact O-CB 3.3Å; P750-S754 PolarHBondContact O-N 3.23Å; P750-S754 PolarHBondContact O-OG 3.25Å; E751-S754 PolarHBondContact O-N 3.19Å; E751-S754 PolarHBondContact O-OG 3.13Å; V752-S754 VanDerWaalsContact C-N 3.28Å; V752-S754 PolarHBondContact O-N 3.04Å; S754-C757 PolarHBondContact O-N 3.18Å; S754-E758 PolarHBondContact O-N 3.2Å |
| 755 | L | 93.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 15% | 0.152 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 177.2 | -70.4 | 170.1 | 0 | 0 | 0 | 111.4 | K699 L706 E751 V752 C757 G759 | K699-L755 HydrophobicContact CG-CD1 3.85Å; L706-L755 HydrophobicContact CD2-CD2 3.74Å; E751-L755 WeakPolarHBondContact O-CG 3.37Å; E751-L755 PolarHBondContact O-N 2.99Å; V752-L755 PolarHBondContact O-N 3.15Å; L755-C757 VanDerWaalsContact C-N 3.34Å; L755-G759 PolarHBondContact O-N 3.05Å |
| 756 | A | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y702 W740 L745 V752 A753 F760 | Y702-A756 HydrophobicContact CD1-CB 3.84Å; Y702-A756 HydrophobicContact CE1-CB 3.76Å; Y702-A756 HydrophobicContact CG-CB 4.36Å; W740-A756 PolarHBondContact NE1-O 2.91Å; L745-A756 HydrophobicContact CD2-CB 4.17Å; V752-A756 VanDerWaalsContact O-CB 3.31Å; V752-A756 WeakPolarHBondContact O-CB 3.44Å; V752-A756 PolarHBondContact O-N 3.2Å; A753-A756 PolarHBondContact O-N 2.96Å; A756-F760 WeakPolarHBondContact O-CB 3.37Å; A756-F760 PolarHBondContact O-N 3.36Å |
| 757 | C | 91.9 | Very high | 89.7 | Confident | 47.3333 Ų | 47.3333 | 41.2 Ų | 41.2 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 112 | L745 A753 S754 L755 F760 A761 L820 | L745-C757 HydrophobicContact CD2-CB 4.18Å; A753-C757 WeakPolarHBondContact O-CB 3.39Å; A753-C757 PolarHBondContact O-N 3.1Å; S754-C757 PolarHBondContact O-N 3.18Å; L755-C757 VanDerWaalsContact C-N 3.34Å; C757-F760 PolarHBondContact O-N 3.07Å; C757-A761 WeakPolarHBondContact O-CB 3.33Å; C757-A761 PolarHBondContact O-N 3.03Å; C757-L820 HydrophobicContact CB-CD2 4.29Å; C757-L820 VanDerWaalsContact SG-CB 3.57Å; C757-L820 VanDerWaalsContact SG-CD2 3.55Å |
| 758 | E | 90.9 | Very high | 89.2 | Confident | 73.6667 Ų | 73.6667 | 47.6 Ų | 47.6 | 34% | 0.344 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 178.9 | -168 | -174.9 | 164.9 | 0 | 0 | 111.6 | L706 K710 S754 A761 L762 | L706-E758 HydrophobicContact CD1-CB 4.21Å; L706-E758 HydrophobicContact CD1-CG 3.93Å; L706-E758 HydrophobicContact CD2-CB 4.36Å; L706-E758 HydrophobicContact CD2-CG 4.34Å; L706-E758 WeakPolarHBondContact CD2-OE2 3.47Å; K710-E758 WeakPolarHBondContact CE-OE1 3.21Å; K710-E758 IonicContact NZ-OE1 3.17Å; K710-E758 PolarHBondContact NZ-OE1 3.09Å; K710-E758 IonicContact NZ-OE2 2.93Å; S754-E758 PolarHBondContact O-N 3.2Å; E758-A761 PolarHBondContact O-N 3.29Å; E758-L762 WeakPolarHBondContact O-CG 3.25Å; E758-L762 PolarHBondContact O-N 3.01Å; E758-L762 VanDerWaalsContact O-N 3.12Å |
| 759 | G | 90.1 | Very high | 88.7 | Confident | 0.666667 Ų | 0.666667 | 41.5 Ų | 41.5 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L709 L755 L762 L763 | L709-G759 VanDerWaalsContact CD1-O 3.3Å; L709-G759 WeakPolarHBondContact CD1-O 3.41Å; L755-G759 PolarHBondContact O-N 3.05Å; G759-L762 PolarHBondContact O-N 3.09Å; G759-L763 PolarHBondContact O-N 3.13Å |
| 760 | F | 92 | Very high | 88 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.7 | -39.4 | -179.8 | -159.9 | -116 | 0 | 0 | 0 | 111.9 | L737 W740 I741 L745 A756 C757 L762 L763 L764 L802 L820 | L737-F760 HydrophobicContact CD2-CE2 3.99Å; W740-F760 AromaticContact CD2-CD2 3.84Å; W740-F760 HydrophobicContact CD2-CD2 3.91Å; W740-F760 AromaticContact CE2-CD2 3.95Å; W740-F760 HydrophobicContact CE3-CD2 4.24Å; W740-F760 HydrophobicContact CG-CD2 4.19Å; W740-F760 HydrophobicContact CZ2-CB 4.14Å; W740-F760 HydrophobicContact CZ2-CD2 4.4Å; I741-F760 HydrophobicContact CD1-CE1 4.01Å; I741-F760 HydrophobicContact CD1-CE2 4.42Å; I741-F760 HydrophobicContact CD1-CZ 3.59Å; I741-F760 HydrophobicContact CG1-CD1 4.45Å; I741-F760 HydrophobicContact CG1-CE1 3.74Å; I741-F760 HydrophobicContact CG1-CE2 4.14Å; I741-F760 HydrophobicContact CG1-CZ 3.55Å; L745-F760 HydrophobicContact CD1-CD1 4.33Å; L745-F760 HydrophobicContact CD2-CB 4.37Å; A756-F760 WeakPolarHBondContact O-CB 3.37Å; A756-F760 PolarHBondContact O-N 3.36Å; C757-F760 PolarHBondContact O-N 3.07Å; F760-L762 VanDerWaalsContact C-N 3.3Å; F760-L762 PolarHBondContact O-N 3.18Å; F760-L763 HydrophobicContact CD2-CD2 4.32Å; F760-L763 HydrophobicContact CE2-CD2 4.31Å; F760-L763 PolarHBondContact O-N 3.3Å; F760-L764 HydrophobicContact CD1-CD1 3.78Å; F760-L764 HydrophobicContact CD1-CG 4.08Å; F760-L764 HydrophobicContact CE1-CD1 3.54Å; F760-L764 HydrophobicContact CE1-CD2 4.08Å; F760-L764 HydrophobicContact CE1-CG 3.86Å; F760-L764 HydrophobicContact CE2-CD2 4.35Å; F760-L764 HydrophobicContact CE2-CG 4.45Å; F760-L764 HydrophobicContact CZ-CD1 4.26Å; F760-L764 HydrophobicContact CZ-CD2 3.95Å; F760-L764 HydrophobicContact CZ-CG 4.15Å; F760-L764 WeakPolarHBondContact O-CB 3.37Å; F760-L764 VanDerWaalsContact O-CG 3.32Å; F760-L764 WeakPolarHBondContact O-CG 3.32Å; F760-L764 PolarHBondContact O-N 3.07Å; F760-L802 HydrophobicContact CD1-CD1 4.41Å; F760-L802 HydrophobicContact CE1-CD1 3.83Å; F760-L802 HydrophobicContact CE1-CD2 4.49Å; F760-L820 HydrophobicContact CD1-CD1 3.84Å |
| 761 | A | 89.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.1 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C757 E758 N765 L820 | C757-A761 WeakPolarHBondContact O-CB 3.33Å; C757-A761 PolarHBondContact O-N 3.03Å; E758-A761 PolarHBondContact O-N 3.29Å; A761-N765 WeakPolarHBondContact O-CB 3.34Å; A761-N765 PolarHBondContact O-N 3.13Å; A761-N765 PolarHBondContact O-ND2 3.35Å; A761-N765 VanDerWaalsContact O-ND2 3.15Å; A761-L820 HydrophobicContact CB-CB 4.14Å; A761-L820 HydrophobicContact CB-CD1 4.21Å |
| 762 | L | 87.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | 173.8 | -74 | 171.4 | 0 | 0 | 0 | 111.7 | L706 K710 I713 E758 G759 F760 L764 N765 S766 | L706-L762 HydrophobicContact CD1-CD1 3.59Å; K710-L762 HydrophobicContact CG-CD1 3.77Å; I713-L762 HydrophobicContact CD1-CB 3.95Å; I713-L762 WeakPolarHBondContact CD1-O 3.23Å; E758-L762 WeakPolarHBondContact O-CG 3.25Å; E758-L762 PolarHBondContact O-N 3.01Å; E758-L762 VanDerWaalsContact O-N 3.12Å; G759-L762 PolarHBondContact O-N 3.09Å; F760-L762 VanDerWaalsContact C-N 3.3Å; F760-L762 PolarHBondContact O-N 3.18Å; L762-L764 VanDerWaalsContact C-N 3.33Å; L762-L764 PolarHBondContact O-N 3.27Å; L762-N765 PolarHBondContact O-N 3.12Å; L762-S766 PolarHBondContact O-N 3.36Å |
| 763 | L | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 177.2 | -179.3 | 65.7 | 0 | 0 | 0 | 111.5 | L709 V728 L732 L737 W740 G759 F760 N765 S766 | L709-L763 HydrophobicContact CD1-CB 4.43Å; L709-L763 HydrophobicContact CD2-CB 4.29Å; L709-L763 HydrophobicContact CD2-CD1 4.05Å; V728-L763 HydrophobicContact CG1-CD1 4.02Å; L732-L763 HydrophobicContact CD2-CD1 4.21Å; L732-L763 HydrophobicContact CD2-CD2 4.48Å; L737-L763 HydrophobicContact CD2-CD2 3.91Å; W740-L763 HydrophobicContact CZ3-CD2 4.35Å; G759-L763 PolarHBondContact O-N 3.13Å; F760-L763 HydrophobicContact CD2-CD2 4.32Å; F760-L763 HydrophobicContact CE2-CD2 4.31Å; F760-L763 PolarHBondContact O-N 3.3Å; L763-N765 VanDerWaalsContact C-N 3.26Å; L763-N765 PolarHBondContact O-N 3.21Å; L763-S766 VanDerWaalsContact O-CB 3.27Å; L763-S766 WeakPolarHBondContact O-CB 3.25Å; L763-S766 PolarHBondContact O-N 3.21Å; L763-S766 VanDerWaalsContact O-N 3.16Å; L763-S766 PolarHBondContact O-OG 3.26Å |
| 764 | L | 88.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.6 | -20.8 | -179.5 | -70.8 | -173.4 | 0 | 0 | 0 | 114.2 | F760 L762 L782 L802 L820 V823 W827 | F760-L764 HydrophobicContact CD1-CD1 3.78Å; F760-L764 HydrophobicContact CD1-CG 4.08Å; F760-L764 HydrophobicContact CE1-CD1 3.54Å; F760-L764 HydrophobicContact CE1-CD2 4.08Å; F760-L764 HydrophobicContact CE1-CG 3.86Å; F760-L764 HydrophobicContact CE2-CD2 4.35Å; F760-L764 HydrophobicContact CE2-CG 4.45Å; F760-L764 HydrophobicContact CZ-CD1 4.26Å; F760-L764 HydrophobicContact CZ-CD2 3.95Å; F760-L764 HydrophobicContact CZ-CG 4.15Å; F760-L764 WeakPolarHBondContact O-CB 3.37Å; F760-L764 VanDerWaalsContact O-CG 3.32Å; F760-L764 WeakPolarHBondContact O-CG 3.32Å; F760-L764 PolarHBondContact O-N 3.07Å; L762-L764 VanDerWaalsContact C-N 3.33Å; L762-L764 PolarHBondContact O-N 3.27Å; L764-L782 HydrophobicContact CD2-CD1 3.54Å; L764-L782 HydrophobicContact CD2-CD2 4.31Å; L764-L802 HydrophobicContact CD1-CD1 4.34Å; L764-L802 HydrophobicContact CD1-CD2 3.89Å; L764-L820 HydrophobicContact CD1-CD1 4.12Å; L764-V823 HydrophobicContact CB-CG1 3.44Å; L764-V823 VanDerWaalsContact CB-CG1 3.44Å; L764-V823 HydrophobicContact CD1-CG1 4.09Å; L764-V823 HydrophobicContact CG-CG1 4.45Å; L764-W827 HydrophobicContact CD2-CZ2 4.44Å; L764-W827 PolarHBondContact O-NE1 2.88Å |
| 765 | N | 86 | Confident | 85.5 | Confident | 46.3333 Ų | 46.3333 | 37.1 Ų | 37.1 | 25% | 0.248 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 7.2 | 175.2 | -77.4 | -44.8 | 0 | 0 | 0 | 113.2 | A761 L762 L763 Y767 N818 V823 | A761-N765 WeakPolarHBondContact O-CB 3.34Å; A761-N765 PolarHBondContact O-N 3.13Å; A761-N765 PolarHBondContact O-ND2 3.35Å; A761-N765 VanDerWaalsContact O-ND2 3.15Å; L762-N765 PolarHBondContact O-N 3.12Å; L763-N765 VanDerWaalsContact C-N 3.26Å; L763-N765 PolarHBondContact O-N 3.21Å; N765-Y767 VanDerWaalsContact C-N 3.26Å; N765-Y767 PolarHBondContact O-N 3.17Å; N765-Y767 VanDerWaalsContact O-N 3.12Å; N765-N818 PolarHBondContact OD1-ND2 3.03Å; N765-V823 WeakPolarHBondContact ND2-CG2 3.45Å; N765-V823 WeakPolarHBondContact OD1-CG1 3.18Å; N765-V823 WeakPolarHBondContact OD1-CG2 3.4Å |
| 766 | S | 83.8 | Confident | 85.1 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -79 | 8.4 | -168.7 | 66.6 | 0 | 0 | 0 | 0 | 115.8 | L762 L763 E768 Y769 I770 | L762-S766 PolarHBondContact O-N 3.36Å; L763-S766 VanDerWaalsContact O-CB 3.27Å; L763-S766 WeakPolarHBondContact O-CB 3.25Å; L763-S766 PolarHBondContact O-N 3.21Å; L763-S766 VanDerWaalsContact O-N 3.16Å; L763-S766 PolarHBondContact O-OG 3.26Å; S766-E768 VanDerWaalsContact C-N 3.31Å; S766-E768 PolarHBondContact O-N 3.16Å; S766-Y769 CarbonylContact O-C 3.58Å; S766-Y769 WeakPolarHBondContact O-CA 3.29Å; S766-Y769 PolarHBondContact O-N 3.12Å; S766-I770 PolarHBondContact O-N 3.14Å |
| 767 | Y | 82.3 | Confident | 84.8 | Confident | 87.6667 Ų | 87.6667 | 43.5 Ų | 43.5 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -49.5 | -46.5 | -174.7 | 170.5 | -107.9 | 0 | 0 | 0 | 114.1 | N765 Y769 W775 L835 G836 | N765-Y767 VanDerWaalsContact C-N 3.26Å; N765-Y767 PolarHBondContact O-N 3.17Å; N765-Y767 VanDerWaalsContact O-N 3.12Å; Y767-Y769 PolarHBondContact O-N 3.14Å; Y767-Y769 VanDerWaalsContact O-N 3.11Å; Y767-W775 AromaticContact CD2-CD1 3.58Å; Y767-W775 AromaticContact CD2-CD2 3.68Å; Y767-W775 HydrophobicContact CD2-CD2 3.68Å; Y767-W775 AromaticContact CD2-CE2 3.53Å; Y767-W775 HydrophobicContact CD2-CE3 4.41Å; Y767-W775 AromaticContact CD2-CG 3.71Å; Y767-W775 HydrophobicContact CD2-CG 3.71Å; Y767-W775 HydrophobicContact CD2-CZ2 4.14Å; Y767-W775 AromaticContact CD2-NE1 3.46Å; Y767-W775 AromaticContact CE2-CD1 3.92Å; Y767-W775 HydrophobicContact CE2-CG 4.37Å; Y767-W775 HydrophobicContact CG-CD2 4.33Å; Y767-W775 HydrophobicContact CG-CZ2 4.26Å; Y767-L835 VanDerWaalsContact CE2-C 3.45Å; Y767-L835 VanDerWaalsContact CZ-C 3.41Å; Y767-L835 VanDerWaalsContact OH-C 3.31Å; Y767-L835 PolarHBondContact OH-O 3.39Å; Y767-G836 VanDerWaalsContact CD1-CA 3.47Å; Y767-G836 VanDerWaalsContact CE1-CA 3.48Å; Y767-G836 VanDerWaalsContact CE2-N 3.27Å; Y767-G836 VanDerWaalsContact CG-CA 3.41Å; Y767-G836 VanDerWaalsContact CZ-CA 3.46Å |
| 768 | E | 76 | Confident | 84.7 | Confident | 153.333 Ų | 153.333 | 41.3 Ų | 41.3 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -68.3 | -9.9 | -177.4 | -63.6 | -179.9 | 169.9 | 0 | 0 | 113.1 | S766 | S766-E768 VanDerWaalsContact C-N 3.31Å; S766-E768 PolarHBondContact O-N 3.16Å |
| 769 | Y | 76.6 | Confident | 84.6 | Confident | 65.3333 Ų | 65.3333 | 38 Ų | 38 | 26% | 0.256 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -42.9 | -168.4 | -53.4 | -77.2 | 0 | 0 | 0 | 112.3 | I713 P715 A718 L725 S766 Y767 | I713-Y769 HydrophobicContact CB-CD2 4.47Å; I713-Y769 HydrophobicContact CB-CG 4.43Å; I713-Y769 HydrophobicContact CG1-CG 4.47Å; I713-Y769 HydrophobicContact CG2-CD1 4.34Å; I713-Y769 HydrophobicContact CG2-CD2 3.62Å; I713-Y769 HydrophobicContact CG2-CE1 4.42Å; I713-Y769 HydrophobicContact CG2-CE2 3.85Å; I713-Y769 HydrophobicContact CG2-CG 4.02Å; I713-Y769 WeakPolarHBondContact O-CD1 3.33Å; I713-Y769 WeakPolarHBondContact O-CE1 3.31Å; P715-Y769 HydrophobicContact CB-CE1 4.45Å; A718-Y769 HydrophobicContact CB-CD1 3.61Å; A718-Y769 HydrophobicContact CB-CE1 4.21Å; L725-Y769 VanDerWaalsContact CB-O 3.31Å; L725-Y769 WeakPolarHBondContact CB-O 3.47Å; L725-Y769 WeakPolarHBondContact CD1-O 3.48Å; L725-Y769 VanDerWaalsContact CD2-O 3.26Å; L725-Y769 WeakPolarHBondContact CD2-O 3.31Å; L725-Y769 WeakPolarHBondContact CG-O 3.4Å; S766-Y769 CarbonylContact O-C 3.58Å; S766-Y769 WeakPolarHBondContact O-CA 3.29Å; S766-Y769 PolarHBondContact O-N 3.12Å; Y767-Y769 PolarHBondContact O-N 3.14Å; Y767-Y769 VanDerWaalsContact O-N 3.11Å |
| 770 | I | 77.6 | Confident | 84.4 | Confident | 11.6667 Ų | 11.6667 | 41.9 Ų | 41.9 | 6% | 0.06 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -74 | 153.8 | -176.7 | -157.6 | 168.5 | 0 | 0 | 0 | 111.6 | L725 V728 L732 S766 W775 | L725-I770 HydrophobicContact CD2-CB 4.19Å; L725-I770 HydrophobicContact CD2-CG1 4.2Å; V728-I770 HydrophobicContact CG2-CD1 3.93Å; V728-I770 HydrophobicContact CG2-CG1 4.23Å; L732-I770 HydrophobicContact CD1-CD1 3.86Å; S766-I770 PolarHBondContact O-N 3.14Å; I770-W775 HydrophobicContact CG2-CB 3.75Å; I770-W775 HydrophobicContact CG2-CD2 4.48Å; I770-W775 HydrophobicContact CG2-CE3 3.9Å; I770-W775 HydrophobicContact CG2-CG 4.49Å |
| 771 | S | 76.7 | Confident | 84.2 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | trans | -61.7 | 147.5 | 177 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | D726 T773 G774 W775 | D726-S771 PolarHBondContact OD1-OG 3.12Å; S771-T773 PolarHBondContact O-N 3.01Å; S771-T773 VanDerWaalsContact O-N 3.16Å; S771-T773 PolarHBondContact OG-OG1 3.06Å; S771-G774 CarbonylContact O-C 3.55Å; S771-G774 WeakPolarHBondContact O-CA 3.27Å; S771-G774 PolarHBondContact O-N 3.18Å; S771-G774 PolarHBondContact OG-N 3.27Å; S771-W775 PolarHBondContact O-N 3.17Å | ||
| 772 | D | 80 | Confident | 84.2 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.3 | -36.5 | 179.8 | 179.8 | 39.5 | 0 | 0 | 0 | 111.9 | K776 | D772-K776 VanDerWaalsContact CG-NZ 3.33Å; D772-K776 WeakPolarHBondContact O-CB 3.34Å; D772-K776 WeakPolarHBondContact O-CD 3.36Å; D772-K776 VanDerWaalsContact O-CG 3.25Å; D772-K776 WeakPolarHBondContact O-CG 3.36Å; D772-K776 PolarHBondContact O-N 3.28Å; D772-K776 WeakPolarHBondContact OD1-CE 3.4Å; D772-K776 IonicContact OD1-NZ 2.92Å; D772-K776 PolarHBondContact OD1-NZ 3.33Å; D772-K776 WeakPolarHBondContact OD2-CE 3.36Å; D772-K776 IonicContact OD2-NZ 3.08Å; D772-K776 PolarHBondContact OD2-NZ 2.94Å |
| 773 | T | 81.1 | Confident | 84 | Confident | 99.6667 Ų | 99.6667 | 41 Ų | 41 | 61% | 0.611 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.3 | -44.5 | 173.4 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | S771 K777 | S771-T773 PolarHBondContact O-N 3.01Å; S771-T773 VanDerWaalsContact O-N 3.16Å; S771-T773 PolarHBondContact OG-OG1 3.06Å; T773-K777 WeakPolarHBondContact O-CB 3.37Å; T773-K777 PolarHBondContact O-N 3.03Å |
| 774 | G | 82.6 | Confident | 83.3 | Confident | 2.33333 Ų | 2.33333 | 43.1 Ų | 43.1 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L732 S771 K776 K777 L778 | L732-G774 VanDerWaalsContact CD1-O 3.25Å; L732-G774 WeakPolarHBondContact CD1-O 3.41Å; S771-G774 CarbonylContact O-C 3.55Å; S771-G774 WeakPolarHBondContact O-CA 3.27Å; S771-G774 PolarHBondContact O-N 3.18Å; S771-G774 PolarHBondContact OG-N 3.27Å; G774-K776 PolarHBondContact O-N 3.08Å; G774-K777 WeakPolarHBondContact O-CB 3.26Å; G774-K777 PolarHBondContact O-N 3.13Å; G774-L778 PolarHBondContact O-N 2.99Å |
| 775 | W | 86.2 | Confident | 82.2 | Confident | 1.66667 Ų | 1.66667 | 44.8 Ų | 44.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 177.8 | -174.6 | -107.1 | 0 | 0 | 0 | 112.2 | Y767 I770 S771 K777 L778 H779 W827 M832 S833 | Y767-W775 AromaticContact CD2-CD1 3.58Å; Y767-W775 AromaticContact CD2-CD2 3.68Å; Y767-W775 HydrophobicContact CD2-CD2 3.68Å; Y767-W775 AromaticContact CD2-CE2 3.53Å; Y767-W775 HydrophobicContact CD2-CE3 4.41Å; Y767-W775 AromaticContact CD2-CG 3.71Å; Y767-W775 HydrophobicContact CD2-CG 3.71Å; Y767-W775 HydrophobicContact CD2-CZ2 4.14Å; Y767-W775 AromaticContact CD2-NE1 3.46Å; Y767-W775 AromaticContact CE2-CD1 3.92Å; Y767-W775 HydrophobicContact CE2-CG 4.37Å; Y767-W775 HydrophobicContact CG-CD2 4.33Å; Y767-W775 HydrophobicContact CG-CZ2 4.26Å; I770-W775 HydrophobicContact CG2-CB 3.75Å; I770-W775 HydrophobicContact CG2-CD2 4.48Å; I770-W775 HydrophobicContact CG2-CE3 3.9Å; I770-W775 HydrophobicContact CG2-CG 4.49Å; S771-W775 PolarHBondContact O-N 3.17Å; W775-K777 VanDerWaalsContact C-N 3.31Å; W775-K777 PolarHBondContact O-N 3.33Å; W775-L778 HydrophobicContact CE3-CD2 4.03Å; W775-L778 HydrophobicContact CZ3-CD2 3.92Å; W775-L778 PolarHBondContact O-N 3.24Å; W775-H779 WeakPolarHBondContact O-CB 3.39Å; W775-H779 PolarHBondContact O-N 2.87Å; W775-W827 AromaticContact CH2-CH2 3.79Å; W775-W827 HydrophobicContact CH2-CH2 3.79Å; W775-W827 AromaticContact CH2-CZ2 3.27Å; W775-W827 HydrophobicContact CH2-CZ2 3.27Å; W775-W827 AromaticContact CZ2-CH2 3.75Å; W775-W827 HydrophobicContact CZ2-CH2 3.75Å; W775-W827 AromaticContact CZ2-CZ2 3.71Å; W775-W827 HydrophobicContact CZ2-CZ2 3.71Å; W775-W827 HydrophobicContact CZ3-CH2 4.33Å; W775-W827 AromaticContact CZ3-CZ2 3.81Å; W775-W827 HydrophobicContact CZ3-CZ2 3.81Å; W775-M832 HydrophobicContact CH2-SD 4.46Å; W775-M832 HydrophobicContact CZ2-CB 4.27Å; W775-M832 HydrophobicContact CZ2-SD 4.5Å; W775-S833 PolarHBondContact NE1-O 3.39Å |
| 776 | K | 86.2 | Confident | 80.6 | Confident | 96 Ų | 96 | 43.6 Ų | 43.6 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 174.6 | -75.9 | 169.4 | 176.9 | 162.3 | 0 | 111.9 | D772 G774 H779 H780 | D772-K776 VanDerWaalsContact CG-NZ 3.33Å; D772-K776 WeakPolarHBondContact O-CB 3.34Å; D772-K776 WeakPolarHBondContact O-CD 3.36Å; D772-K776 VanDerWaalsContact O-CG 3.25Å; D772-K776 WeakPolarHBondContact O-CG 3.36Å; D772-K776 PolarHBondContact O-N 3.28Å; D772-K776 WeakPolarHBondContact OD1-CE 3.4Å; D772-K776 IonicContact OD1-NZ 2.92Å; D772-K776 PolarHBondContact OD1-NZ 3.33Å; D772-K776 WeakPolarHBondContact OD2-CE 3.36Å; D772-K776 IonicContact OD2-NZ 3.08Å; D772-K776 PolarHBondContact OD2-NZ 2.94Å; G774-K776 PolarHBondContact O-N 3.08Å; K776-H779 PolarHBondContact O-N 3.2Å; K776-H780 WeakPolarHBondContact O-CB 3.43Å; K776-H780 PolarHBondContact O-N 3.09Å |
| 777 | K | 86.5 | Confident | 79.1 | Confident | 68.3333 Ų | 68.3333 | 47.6 Ų | 47.6 | 30% | 0.297 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.9 | -167.4 | -178.1 | -173.7 | -161.3 | 0 | 111.6 | L732 E733 T773 G774 W775 H780 L781 | L732-K777 HydrophobicContact CB-CD 4.04Å; L732-K777 HydrophobicContact CD1-CB 4.5Å; L732-K777 WeakPolarHBondContact O-CD 3.31Å; L732-K777 WeakPolarHBondContact O-CE 3.4Å; L732-K777 PolarHBondContact O-NZ 3.34Å; E733-K777 IonicContact OE1-NZ 3.44Å; E733-K777 PolarHBondContact OE1-NZ 2.95Å; T773-K777 WeakPolarHBondContact O-CB 3.37Å; T773-K777 PolarHBondContact O-N 3.03Å; G774-K777 WeakPolarHBondContact O-CB 3.26Å; G774-K777 PolarHBondContact O-N 3.13Å; W775-K777 VanDerWaalsContact C-N 3.31Å; W775-K777 PolarHBondContact O-N 3.33Å; K777-H780 PolarHBondContact O-N 3.22Å; K777-L781 HydrophobicContact CG-CD1 4.43Å; K777-L781 VanDerWaalsContact O-CG 3.32Å; K777-L781 WeakPolarHBondContact O-CG 3.11Å; K777-L781 PolarHBondContact O-N 3.06Å |
| 778 | L | 89.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 176 | -179.3 | 63 | 0 | 0 | 0 | 111.6 | L732 L737 G774 W775 H780 L781 L782 W827 | L732-L778 HydrophobicContact CD2-CB 4Å; L732-L778 HydrophobicContact CD2-CD1 3.84Å; L732-L778 HydrophobicContact CD2-CG 4.35Å; L737-L778 HydrophobicContact CD1-CD1 4.09Å; G774-L778 PolarHBondContact O-N 2.99Å; W775-L778 HydrophobicContact CE3-CD2 4.03Å; W775-L778 HydrophobicContact CZ3-CD2 3.92Å; W775-L778 PolarHBondContact O-N 3.24Å; L778-H780 VanDerWaalsContact C-N 3.35Å; L778-H780 PolarHBondContact O-N 3.26Å; L778-L781 PolarHBondContact O-N 3.11Å; L778-L782 HydrophobicContact CD1-CD1 3.8Å; L778-L782 HydrophobicContact CD1-CG 4.17Å; L778-L782 HydrophobicContact CG-CD1 3.81Å; L778-L782 WeakPolarHBondContact O-CB 3.28Å; L778-L782 WeakPolarHBondContact O-CG 3.32Å; L778-L782 PolarHBondContact O-N 3.32Å; L778-W827 HydrophobicContact CD2-CH2 4.36Å; L778-W827 HydrophobicContact CD2-CZ2 4.02Å; L778-W827 HydrophobicContact CG-CH2 4.22Å; L778-W827 HydrophobicContact CG-CZ2 4.29Å |
| 779 | H | 88.1 | Confident | 75.7 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 176.8 | -178.4 | -81.3 | 0 | 0 | 0 | 111.6 | W775 K776 L781 L782 I783 E784 W827 M832 P834 | W775-H779 WeakPolarHBondContact O-CB 3.39Å; W775-H779 PolarHBondContact O-N 2.87Å; K776-H779 PolarHBondContact O-N 3.2Å; H779-L781 PolarHBondContact O-N 3.34Å; H779-L782 PolarHBondContact O-N 3.01Å; H779-I783 PolarHBondContact O-N 3.13Å; H779-E784 IonicContact CE1-OE1 3.59Å; H779-E784 IonicContact ND1-OE1 3.72Å; H779-E784 PolarHBondContact ND1-OE1 3.14Å; H779-W827 HydrophobicContact CB-CH2 4.38Å; H779-W827 HydrophobicContact CB-CZ3 4.28Å; H779-W827 AromaticContact CD2-CZ3 3.95Å; H779-M832 PolarHBondContact CD2-O 3.07Å; H779-M832 VanDerWaalsContact CD2-O 3.28Å; H779-M832 PolarHBondContact NE2-O 2.99Å; H779-P834 WeakPolarHBondContact NE2-CD 3.42Å |
| 780 | H | 86.2 | Confident | 74.2 | Confident | 81.6667 Ų | 81.6667 | 44.9 Ų | 44.9 | 38% | 0.378 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 176.1 | -176.2 | 73 | 0 | 0 | 0 | 111.5 | K776 K777 L778 L782 E784 | K776-H780 WeakPolarHBondContact O-CB 3.43Å; K776-H780 PolarHBondContact O-N 3.09Å; K777-H780 PolarHBondContact O-N 3.22Å; L778-H780 VanDerWaalsContact C-N 3.35Å; L778-H780 PolarHBondContact O-N 3.26Å; H780-L782 VanDerWaalsContact C-N 3.33Å; H780-L782 PolarHBondContact O-N 3.03Å; H780-E784 IonicContact CE1-OE2 3.35Å; H780-E784 PolarHBondContact CE1-OE2 3.14Å; H780-E784 IonicContact CG-OE2 2.9Å; H780-E784 IonicContact ND1-OE2 3.61Å; H780-E784 PolarHBondContact ND1-OE2 3.12Å; H780-E784 WeakPolarHBondContact O-CB 3.31Å; H780-E784 PolarHBondContact O-N 3.26Å; H780-E784 VanDerWaalsContact O-O 3.12Å |
| 781 | L | 88 | Confident | 72.6 | Confident | 18.3333 Ų | 18.3333 | 49.7 Ų | 49.7 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 179.6 | -68.2 | 172.1 | 0 | 0 | 0 | 113.6 | D734 L737 K777 L778 H779 L798 | D734-L781 HydrophobicContact CB-CD2 3.92Å; L737-L781 HydrophobicContact CD1-CB 4.37Å; L737-L781 HydrophobicContact CD1-CD1 3.81Å; K777-L781 HydrophobicContact CG-CD1 4.43Å; K777-L781 VanDerWaalsContact O-CG 3.32Å; K777-L781 WeakPolarHBondContact O-CG 3.11Å; K777-L781 PolarHBondContact O-N 3.06Å; L778-L781 PolarHBondContact O-N 3.11Å; H779-L781 PolarHBondContact O-N 3.34Å; L781-L798 HydrophobicContact CB-CD1 4.14Å; L781-L798 WeakPolarHBondContact O-CG 3.39Å; L781-L798 PolarHBondContact O-N 3.23Å; L781-L798 VanDerWaalsContact O-N 3.11Å |
| 782 | L | 89.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.4 | -44.9 | -177.1 | -72.6 | 171.5 | 0 | 0 | 0 | 113.1 | L764 L778 H779 H780 P797 L798 T799 L802 W827 | L764-L782 HydrophobicContact CD2-CD1 3.54Å; L764-L782 HydrophobicContact CD2-CD2 4.31Å; L778-L782 HydrophobicContact CD1-CD1 3.8Å; L778-L782 HydrophobicContact CD1-CG 4.17Å; L778-L782 HydrophobicContact CG-CD1 3.81Å; L778-L782 WeakPolarHBondContact O-CB 3.28Å; L778-L782 WeakPolarHBondContact O-CG 3.32Å; L778-L782 PolarHBondContact O-N 3.32Å; H779-L782 PolarHBondContact O-N 3.01Å; H780-L782 VanDerWaalsContact C-N 3.33Å; H780-L782 PolarHBondContact O-N 3.03Å; L782-P797 CarbonylContact O-C 3.55Å; L782-P797 WeakPolarHBondContact O-CB 3.29Å; L782-L798 HydrophobicContact CD2-CB 3.69Å; L782-L798 HydrophobicContact CD2-CD1 4.09Å; L782-L798 PolarHBondContact O-N 3.05Å; L782-T799 WeakPolarHBondContact O-CB 3.43Å; L782-T799 WeakPolarHBondContact O-CG2 3.31Å; L782-T799 PolarHBondContact O-N 3.27Å; L782-T799 VanDerWaalsContact O-N 3.08Å; L782-T799 PolarHBondContact O-OG1 3.32Å; L782-L802 HydrophobicContact CD2-CD2 4.3Å; L782-W827 HydrophobicContact CB-CE3 3.96Å; L782-W827 HydrophobicContact CB-CZ3 4.06Å; L782-W827 HydrophobicContact CD1-CD2 3.49Å; L782-W827 VanDerWaalsContact CD1-CD2 3.48Å; L782-W827 HydrophobicContact CD1-CE3 3.44Å; L782-W827 VanDerWaalsContact CD1-CE3 3.44Å; L782-W827 HydrophobicContact CD1-CG 4.28Å; L782-W827 HydrophobicContact CD1-CH2 3.51Å; L782-W827 VanDerWaalsContact CD1-CH2 3.49Å; L782-W827 HydrophobicContact CD1-CZ2 3.52Å; L782-W827 HydrophobicContact CD1-CZ3 3.47Å; L782-W827 VanDerWaalsContact CD1-CZ3 3.47Å; L782-W827 HydrophobicContact CG-CE3 4.35Å; L782-W827 HydrophobicContact CG-CZ3 4.4Å |
| 783 | I | 83.6 | Confident | 69.2 | Low | 3.66667 Ų | 3.66667 | 55.8 Ų | 55.8 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -107.9 | -39.8 | -167.7 | -67.8 | 174.5 | 0 | 0 | 0 | 112.4 | H779 T799 W827 N852 I853 | H779-I783 PolarHBondContact O-N 3.13Å; I783-T799 HydrophobicContact CG1-CG2 4.22Å; I783-W827 HydrophobicContact CD1-CE3 3.9Å; I783-W827 HydrophobicContact CD1-CZ3 4.12Å; I783-W827 HydrophobicContact CG1-CE3 4.28Å; I783-N852 HydrophobicContact CG2-CB 3.55Å; I783-I853 HydrophobicContact CG2-CG1 4.44Å |
| 784 | E | 75.2 | Confident | 67.8 | Low | 45.3333 Ų | 45.3333 | 56.6 Ų | 56.6 | 21% | 0.212 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 123.6 | -169.4 | -66.7 | 173.5 | -145.1 | 0 | 0 | 111.9 | H779 H780 | H779-E784 IonicContact CE1-OE1 3.59Å; H779-E784 IonicContact ND1-OE1 3.72Å; H779-E784 PolarHBondContact ND1-OE1 3.14Å; H780-E784 IonicContact CE1-OE2 3.35Å; H780-E784 PolarHBondContact CE1-OE2 3.14Å; H780-E784 IonicContact CG-OE2 2.9Å; H780-E784 IonicContact ND1-OE2 3.61Å; H780-E784 PolarHBondContact ND1-OE2 3.12Å; H780-E784 WeakPolarHBondContact O-CB 3.31Å; H780-E784 PolarHBondContact O-N 3.26Å; H780-E784 VanDerWaalsContact O-O 3.12Å |
| 785 | P | 64.4 | Low | 66.6 | Low | 34.6667 Ų | 34.6667 | 60.3 Ų | 60.3 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 139.5 | 169.9 | 29.1 | -30.5 | 0 | 0 | 0 | 110.3 | N852 | P785-N852 VanDerWaalsContact CD-CG 3.49Å; P785-N852 VanDerWaalsContact CD-OD1 3.23Å; P785-N852 WeakPolarHBondContact CD-OD1 3.31Å |
| 786 | A | 53.2 | Low | 66.2 | Low | 21.6667 Ų | 21.6667 | 62.4 Ų | 62.4 | 18% | 0.179 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F795 | A786-F795 HydrophobicContact CB-CB 3.5Å; A786-F795 VanDerWaalsContact CB-CB 3.46Å; A786-F795 HydrophobicContact CB-CD2 3.58Å; A786-F795 VanDerWaalsContact CB-CD2 3.45Å; A786-F795 HydrophobicContact CB-CG 3.95Å; A786-F795 PolarHBondContact N-O 3.3Å |
| 787 | S | 51.1 | Low | 66.2 | Low | 86.3333 Ų | 86.3333 | 58 Ų | 58 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 136.5 | 175.1 | 65 | 0 | 0 | 0 | 0 | 111.2 | S789 | S787-S789 PolarHBondContact O-N 3.02Š|
| 788 | P | 43.6 | Very low | 66.3 | Low | 75 Ų | 75 | 54.8 Ų | 54.8 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | trans | -82.8 | 68.2 | -175.2 | 34.6 | -26.8 | 0 | 0 | 0 | 108.5 | P790 W1096 | P788-P790 WeakPolarHBondContact O-CD 3.39Å; P788-W1096 HydrophobicContact CB-CZ2 4.4Å; P788-W1096 VanDerWaalsContact CD-CH2 3.46Å; P788-W1096 HydrophobicContact CG-CD2 4.46Å; P788-W1096 HydrophobicContact CG-CH2 4.04Å; P788-W1096 HydrophobicContact CG-CZ2 3.75Å; P788-W1096 VanDerWaalsContact CG-CZ2 3.45Å | ||
| 789 | S | 43.5 | Very low | 66.3 | Low | 35 Ų | 35 | 54.8 Ų | 54.8 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | trans | -83 | 122.2 | 162.5 | 54.6 | 0 | 0 | 0 | 0 | 107.7 | S787 S791 I792 | S787-S789 PolarHBondContact O-N 3.02Å; S789-S791 PolarHBondContact O-N 3.14Å; S789-I792 PolarHBondContact O-N 3.17Å; S789-I792 VanDerWaalsContact O-N 3.14Å; S789-I792 VanDerWaalsContact OG-CB 3.29Å; S789-I792 WeakPolarHBondContact OG-CB 3.31Å; S789-I792 VanDerWaalsContact OG-CD1 3.29Å; S789-I792 WeakPolarHBondContact OG-CD1 3.4Å; S789-I792 VanDerWaalsContact OG-CG1 3.26Å; S789-I792 WeakPolarHBondContact OG-CG1 3.42Å | ||
| 790 | P | 44.8 | Very low | 66.4 | Low | 139.667 Ų | 139.667 | 54.6 Ų | 54.6 | 91% | 0.907 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -5.1 | -174.2 | 22.9 | -32.7 | 0 | 0 | 0 | 114.5 | P788 | P788-P790 WeakPolarHBondContact O-CD 3.39Š|
| 791 | S | 44 | Very low | 66.4 | Low | 113.333 Ų | 113.333 | 51 Ų | 51 | 79% | 0.793 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -5.2 | -179.2 | -5 | 0 | 0 | 0 | 0 | 114.4 | S789 | S789-S791 PolarHBondContact O-N 3.14Š|
| 792 | I | 39.8 | Very low | 66.5 | Low | 106.667 Ų | 106.667 | 50.1 Ų | 50.1 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -118.1 | 140 | -173.6 | -54.9 | -177.7 | 0 | 0 | 0 | 109.6 | S789 V794 | S789-I792 PolarHBondContact O-N 3.17Å; S789-I792 VanDerWaalsContact O-N 3.14Å; S789-I792 VanDerWaalsContact OG-CB 3.29Å; S789-I792 WeakPolarHBondContact OG-CB 3.31Å; S789-I792 VanDerWaalsContact OG-CD1 3.29Å; S789-I792 WeakPolarHBondContact OG-CD1 3.4Å; S789-I792 VanDerWaalsContact OG-CG1 3.26Å; S789-I792 WeakPolarHBondContact OG-CG1 3.42Å; I792-V794 PolarHBondContact O-N 3Å; I792-V794 VanDerWaalsContact O-N 3.1Å |
| 793 | K | 46.7 | Very low | 66.5 | Low | 138 Ų | 138 | 50.1 Ų | 50.1 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | trans | -40.8 | 117.4 | 174 | -72.1 | 176.5 | 176.4 | 175.6 | 0 | 109.6 | E735 F795 | E735-K793 IonicContact OE1-NZ 3.14Å; E735-K793 PolarHBondContact OE1-NZ 3.28Å; K793-F795 VanDerWaalsContact O-CD2 3.3Å; K793-F795 WeakPolarHBondContact O-CD2 3.4Å; K793-F795 PolarHBondContact O-N 3.02Å | ||
| 794 | V | 51.2 | Low | 66.8 | Low | 116.667 Ų | 116.667 | 51.3 Ų | 51.3 | 71% | 0.707 | 30% | 0.3 | S | S | * | . | trans | -66.6 | 103.8 | 175.7 | -179 | 0 | 0 | 0 | 0 | 107.7 | I792 | I792-V794 PolarHBondContact O-N 3Å; I792-V794 VanDerWaalsContact O-N 3.1Å | ||
| 795 | F | 57.4 | Low | 67.4 | Low | 79.6667 Ų | 79.6667 | 51.4 Ų | 51.4 | 35% | 0.349 | 30% | 0.299 | S | S | . | . | trans | -72 | 138.7 | 170.2 | -66.3 | -98.8 | 0 | 0 | 0 | 109.3 | D734 A786 K793 | D734-F795 HydrophobicContact CB-CD1 3.72Å; D734-F795 HydrophobicContact CB-CE1 3.56Å; D734-F795 VanDerWaalsContact CB-CE1 3.42Å; D734-F795 VanDerWaalsContact CG-CD1 3.48Å; D734-F795 WeakPolarHBondContact OD2-CD1 3.36Å; A786-F795 HydrophobicContact CB-CB 3.5Å; A786-F795 VanDerWaalsContact CB-CB 3.46Å; A786-F795 HydrophobicContact CB-CD2 3.58Å; A786-F795 VanDerWaalsContact CB-CD2 3.45Å; A786-F795 HydrophobicContact CB-CG 3.95Å; A786-F795 PolarHBondContact N-O 3.3Å; K793-F795 VanDerWaalsContact O-CD2 3.3Å; K793-F795 WeakPolarHBondContact O-CD2 3.4Å; K793-F795 PolarHBondContact O-N 3.02Å | ||
| 796 | R | 77.1 | Confident | 68.7 | Low | 45 Ų | 45 | 49.8 Ų | 49.8 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | trans | -104.7 | 139.9 | 176.7 | 63.1 | -171.2 | 175.3 | 166.6 | 1 | 108.8 | C738 N742 L798 P1132 V1133 F1163 | C738-R796 PolarHBondContact SG-NH2 3.27Å; N742-R796 PolarHBondContact ND2-NH2 3.35Å; R796-L798 PolarHBondContact O-N 3.04Å; R796-P1132 HydrophobicContact CB-CB 4.38Å; R796-V1133 HydrophobicContact CB-CG1 4.33Å; R796-F1163 VanDerWaalsContact NH1-CE2 3.31Å | ||
| 797 | P | 86.5 | Confident | 70.3 | Confident | 4.33333 Ų | 4.33333 | 52.7 Ų | 52.7 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -66.1 | 124.9 | 173.6 | 25.7 | -30.8 | 0 | 0 | 0 | 109.5 | L782 T799 I800 P1132 | L782-P797 CarbonylContact O-C 3.55Å; L782-P797 WeakPolarHBondContact O-CB 3.29Å; P797-T799 PolarHBondContact O-N 3.01Å; P797-T799 VanDerWaalsContact O-N 3.11Å; P797-I800 HydrophobicContact CG-CD1 3.87Å; P797-I800 HydrophobicContact CG-CG1 4.12Å; P797-I800 WeakPolarHBondContact O-CB 3.42Å; P797-I800 WeakPolarHBondContact O-CG1 3.27Å; P797-I800 PolarHBondContact O-N 2.94Å; P797-P1132 HydrophobicContact CG-CG 4.48Å | ||
| 798 | L | 88.7 | Confident | 71.7 | Confident | 0.666667 Ų | 0.666667 | 52.8 Ų | 52.8 | 0% | 0.003 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.1 | -175.6 | -64.3 | 170.4 | 0 | 0 | 0 | 113.2 | L737 C738 I741 L781 L782 R796 I800 S801 L802 | L737-L798 HydrophobicContact CB-CD1 3.47Å; L737-L798 VanDerWaalsContact CB-CD1 3.47Å; L737-L798 HydrophobicContact CD1-CD1 3.64Å; L737-L798 HydrophobicContact CG-CD1 4.22Å; C738-L798 HydrophobicContact CB-CD2 4.48Å; C738-L798 WeakPolarHBondContact SG-CD2 3.3Å; I741-L798 HydrophobicContact CD1-CB 3.88Å; I741-L798 HydrophobicContact CD1-CD1 4.28Å; I741-L798 HydrophobicContact CD1-CD2 4.22Å; I741-L798 HydrophobicContact CD1-CG 4.36Å; L781-L798 HydrophobicContact CB-CD1 4.14Å; L781-L798 WeakPolarHBondContact O-CG 3.39Å; L781-L798 PolarHBondContact O-N 3.23Å; L781-L798 VanDerWaalsContact O-N 3.11Å; L782-L798 HydrophobicContact CD2-CB 3.69Å; L782-L798 HydrophobicContact CD2-CD1 4.09Å; L782-L798 PolarHBondContact O-N 3.05Å; R796-L798 PolarHBondContact O-N 3.04Å; L798-I800 PolarHBondContact O-N 3.22Å; L798-S801 PolarHBondContact O-N 2.94Å; L798-L802 WeakPolarHBondContact O-CB 3.31Å; L798-L802 PolarHBondContact O-N 3.29Å |
| 799 | T | 90 | Very high | 73.1 | Confident | 0.333333 Ų | 0.333333 | 52.6 Ų | 52.6 | 0% | 0.002 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.1 | -22.6 | 168.8 | 47.6 | 0 | 0 | 0 | 0 | 113.3 | L782 I783 P797 G803 R859 | L782-T799 WeakPolarHBondContact O-CB 3.43Å; L782-T799 WeakPolarHBondContact O-CG2 3.31Å; L782-T799 PolarHBondContact O-N 3.27Å; L782-T799 VanDerWaalsContact O-N 3.08Å; L782-T799 PolarHBondContact O-OG1 3.32Å; I783-T799 HydrophobicContact CG1-CG2 4.22Å; P797-T799 PolarHBondContact O-N 3.01Å; P797-T799 VanDerWaalsContact O-N 3.11Å; T799-G803 PolarHBondContact O-N 3.31Å; T799-R859 PolarHBondContact O-NH1 2.95Å; T799-R859 PolarHBondContact OG1-NH1 3.29Å; T799-R859 PolarHBondContact OG1-NH2 3.36Å; T799-R859 VanDerWaalsContact OG1-NH2 3.13Å |
| 800 | I | 90.1 | Very high | 74.2 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 176.6 | -63 | 173.4 | 0 | 0 | 0 | 110.2 | P797 L798 F1130 P1132 V1133 V1148 Y1152 | P797-I800 HydrophobicContact CG-CD1 3.87Å; P797-I800 HydrophobicContact CG-CG1 4.12Å; P797-I800 WeakPolarHBondContact O-CB 3.42Å; P797-I800 WeakPolarHBondContact O-CG1 3.27Å; P797-I800 PolarHBondContact O-N 2.94Å; L798-I800 PolarHBondContact O-N 3.22Å; I800-F1130 HydrophobicContact CG2-CD1 4.05Å; I800-F1130 HydrophobicContact CG2-CE1 4.07Å; I800-P1132 HydrophobicContact CD1-CB 3.88Å; I800-P1132 HydrophobicContact CD1-CG 4.13Å; I800-V1133 HydrophobicContact CD1-CG1 3.78Å; I800-V1133 HydrophobicContact CD1-CG2 4.36Å; I800-V1133 HydrophobicContact CG2-CG1 4.09Å; I800-V1133 HydrophobicContact CG2-CG2 4.05Å; I800-V1148 HydrophobicContact CG2-CG2 3.72Å; I800-Y1152 PolarHBondContact O-OH 3.36Å |
| 801 | S | 86.8 | Confident | 74.7 | Confident | 5.75 Ų | 5.75 | 57.9 Ų | 57.9 | 4% | 0.04 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -85 | -23.4 | 179.5 | -62 | 0 | 0 | 0 | 0 | 112.6 | N742 L798 P804 F805 | N742-S801 VanDerWaalsContact OD1-CB 3.25Å; N742-S801 WeakPolarHBondContact OD1-CB 3.42Å; N742-S801 PolarHBondContact OD1-OG 3.07Å; L798-S801 PolarHBondContact O-N 2.94Å; S801-P804 WeakPolarHBondContact O-CD 3.26Å; S801-F805 WeakPolarHBondContact O-CE2 3.46Å |
| 802 | L | 89.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.2 | -34.4 | 179.4 | -174.5 | 57.9 | 0 | 0 | 0 | 113.1 | F760 L764 L782 L798 P804 F805 A824 W827 | F760-L802 HydrophobicContact CD1-CD1 4.41Å; F760-L802 HydrophobicContact CE1-CD1 3.83Å; F760-L802 HydrophobicContact CE1-CD2 4.49Å; L764-L802 HydrophobicContact CD1-CD1 4.34Å; L764-L802 HydrophobicContact CD1-CD2 3.89Å; L782-L802 HydrophobicContact CD2-CD2 4.3Å; L798-L802 WeakPolarHBondContact O-CB 3.31Å; L798-L802 PolarHBondContact O-N 3.29Å; L802-P804 VanDerWaalsContact C-N 3.35Å; L802-F805 HydrophobicContact CD1-CD2 4.49Å; L802-F805 WeakPolarHBondContact O-CB 3.29Å; L802-F805 PolarHBondContact O-N 3.07Å; L802-A824 HydrophobicContact CD1-CB 3.75Å; L802-A824 HydrophobicContact CD2-CB 4.21Å; L802-A824 HydrophobicContact CG-CB 3.72Å; L802-W827 HydrophobicContact CD2-CB 4.35Å |
| 803 | G | 89.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -56.4 | -32.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T799 F805 A806 H863 Y1152 | T799-G803 PolarHBondContact O-N 3.31Å; G803-F805 PolarHBondContact O-N 3.21Å; G803-F805 VanDerWaalsContact O-N 3.16Å; G803-A806 VanDerWaalsContact O-CB 3.22Å; G803-A806 WeakPolarHBondContact O-CB 3.29Å; G803-A806 PolarHBondContact O-N 3.2Å; G803-H863 PolarHBondContact O-CD2 3.26Å; G803-Y1152 VanDerWaalsContact CA-OH 3.3Å; G803-Y1152 WeakPolarHBondContact CA-OH 3.24Å |
| 804 | P | 89.4 | Confident | 75 | Confident | 28.75 Ų | 28.75 | 58.4 Ų | 58.4 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -61.7 | -17.8 | 172.6 | -26.6 | 37.2 | 0 | 0 | 0 | 115.2 | S801 L802 Y1152 | S801-P804 WeakPolarHBondContact O-CD 3.26Å; L802-P804 VanDerWaalsContact C-N 3.35Å; P804-Y1152 WeakPolarHBondContact CD-OH 3.35Å; P804-Y1152 HydrophobicContact CG-CD2 4.32Å; P804-Y1152 HydrophobicContact CG-CE2 3.7Å |
| 805 | F | 88.7 | Confident | 74.8 | Confident | 47.75 Ų | 47.75 | 61.1 Ų | 61.1 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -89.3 | -7.4 | 175.9 | -61.3 | -85.6 | 0 | 0 | 0 | 112.4 | I741 L745 K746 S801 L802 G803 F807 L820 G821 A824 | I741-F805 HydrophobicContact CG2-CE2 4.3Å; L745-F805 HydrophobicContact CB-CE1 3.87Å; L745-F805 HydrophobicContact CB-CE2 4.36Å; L745-F805 HydrophobicContact CB-CZ 3.56Å; L745-F805 HydrophobicContact CD1-CD1 4.5Å; L745-F805 HydrophobicContact CD1-CD2 4.17Å; L745-F805 HydrophobicContact CD1-CE1 4.16Å; L745-F805 HydrophobicContact CD1-CE2 3.76Å; L745-F805 HydrophobicContact CD1-CZ 3.75Å; L745-F805 HydrophobicContact CG-CZ 4.32Å; K746-F805 HydrophobicContact CD-CZ 4.45Å; K746-F805 HydrophobicContact CG-CZ 3.95Å; S801-F805 WeakPolarHBondContact O-CE2 3.46Å; L802-F805 HydrophobicContact CD1-CD2 4.49Å; L802-F805 WeakPolarHBondContact O-CB 3.29Å; L802-F805 PolarHBondContact O-N 3.07Å; G803-F805 PolarHBondContact O-N 3.21Å; G803-F805 VanDerWaalsContact O-N 3.16Å; F805-F807 WeakPolarHBondContact O-CD1 3.23Å; F805-F807 WeakPolarHBondContact O-CE1 3.46Å; F805-F807 PolarHBondContact O-N 3.16Å; F805-L820 HydrophobicContact CD1-CD2 4.43Å; F805-G821 WeakPolarHBondContact O-CA 3.38Å; F805-A824 HydrophobicContact CB-CB 4.47Å |
| 806 | A | 90.3 | Very high | 74.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | trans | -67.1 | 122.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G803 G821 A824 L825 L860 H863 V868 | G803-A806 VanDerWaalsContact O-CB 3.22Å; G803-A806 WeakPolarHBondContact O-CB 3.29Å; G803-A806 PolarHBondContact O-N 3.2Å; A806-G821 WeakPolarHBondContact CA-O 3.34Å; A806-A824 HydrophobicContact CB-CB 4.26Å; A806-L825 HydrophobicContact CB-CB 4.03Å; A806-L825 HydrophobicContact CB-CD1 4.16Å; A806-L860 HydrophobicContact CB-CD2 4.09Å; A806-H863 PolarHBondContact O-CE1 3.02Å; A806-H863 VanDerWaalsContact O-CE1 3.29Å; A806-H863 PolarHBondContact O-NE2 2.92Å; A806-V868 HydrophobicContact CB-CG1 4.26Å; A806-V868 WeakPolarHBondContact O-CG2 3.32Å | ||
| 807 | F | 86.7 | Confident | 73.3 | Confident | 82.25 Ų | 82.25 | 69.2 Ų | 69.2 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | trans | -148.1 | 142.7 | 177.7 | 160.6 | -101.1 | 0 | 0 | 0 | 110.8 | F805 E809 G821 S822 I865 V868 | F805-F807 WeakPolarHBondContact O-CD1 3.23Å; F805-F807 WeakPolarHBondContact O-CE1 3.46Å; F805-F807 PolarHBondContact O-N 3.16Å; F807-E809 HydrophobicContact CD2-CG 4.33Å; F807-E809 HydrophobicContact CE2-CG 3.82Å; F807-E809 PolarHBondContact O-N 3.39Å; F807-G821 PolarHBondContact N-O 3.19Å; F807-G821 CarbonylContact O-C 3.52Å; F807-G821 WeakPolarHBondContact O-CA 3.33Å; F807-S822 VanDerWaalsContact O-CA 3.31Å; F807-S822 WeakPolarHBondContact O-CA 3.4Å; F807-S822 PolarHBondContact O-N 3.07Å; F807-I865 HydrophobicContact CB-CD1 3.6Å; F807-I865 HydrophobicContact CD1-CD1 4.46Å; F807-I865 HydrophobicContact CD2-CD1 3.78Å; F807-I865 HydrophobicContact CE2-CD1 4.39Å; F807-I865 HydrophobicContact CG-CD1 4.01Å; F807-V868 HydrophobicContact CB-CG2 4.09Å | ||
| 808 | K | 80.7 | Confident | 72.1 | Confident | 87.25 Ų | 87.25 | 71.5 Ų | 71.5 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | trans | -88 | 113.3 | 174 | -154.3 | 178.6 | -177.7 | 171.7 | 0 | 108.9 | L825 E867 E871 | K808-L825 HydrophobicContact CB-CD2 4.16Å; K808-L825 HydrophobicContact CG-CD2 4.13Å; K808-E867 HydrophobicContact CB-CB 4.05Å; K808-E867 HydrophobicContact CD-CB 4.13Å; K808-E871 HydrophobicContact CD-CG 3.91Å; K808-E871 VanDerWaalsContact CE-OE1 3.27Å; K808-E871 WeakPolarHBondContact CE-OE1 3.37Å; K808-E871 IonicContact NZ-OE1 3.36Å; K808-E871 PolarHBondContact NZ-OE1 3.14Å | ||
| 809 | E | 74.3 | Confident | 71.6 | Confident | 71.5 Ų | 71.5 | 74.1 Ų | 74.1 | 33% | 0.334 | 39% | 0.386 | S | S | . | . | trans | -65.8 | 133.3 | 177.8 | -137.3 | 162.7 | 174.3 | 0 | 0 | 110.5 | F807 Q811 T819 S822 | F807-E809 HydrophobicContact CD2-CG 4.33Å; F807-E809 HydrophobicContact CE2-CG 3.82Å; F807-E809 PolarHBondContact O-N 3.39Å; E809-Q811 PolarHBondContact O-N 3.47Å; E809-T819 WeakPolarHBondContact OE1-CG2 3.4Å; E809-T819 WeakPolarHBondContact OE2-CG2 3.4Å; E809-T819 PolarHBondContact OE2-N 3.15Å; E809-T819 VanDerWaalsContact OE2-N 3.16Å; E809-T819 PolarHBondContact OE2-OG1 3.1Å; E809-S822 WeakPolarHBondContact OE2-CB 3.41Å; E809-S822 PolarHBondContact OE2-OG 2.75Å | ||
| 810 | P | 66.2 | Low | 71.5 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | trans | -64.4 | 133.8 | 177.3 | 24.4 | -31.5 | 0 | 0 | 0 | 110 | T812 | P810-T812 VanDerWaalsContact C-N 3.29Å; P810-T812 PolarHBondContact O-N 3.16Å | ||
| 811 | Q | 55.4 | Low | 71.4 | Confident | 197.25 Ų | 197.25 | 75.1 Ų | 75.1 | 92% | 0.922 | 39% | 0.393 | S | S | * | . | trans | -65 | 76.7 | -178.9 | -64.8 | 179.3 | -2.6 | 0 | 0 | 111.4 | E809 | E809-Q811 PolarHBondContact O-N 3.47Š| ||
| 812 | T | 47.4 | Very low | 71.5 | Confident | 100.25 Ų | 100.25 | 75.6 Ų | 75.6 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | trans | -107.9 | 102.5 | 172.7 | 51 | 0 | 0 | 0 | 0 | 110.3 | P810 D814 | P810-T812 VanDerWaalsContact C-N 3.29Å; P810-T812 PolarHBondContact O-N 3.16Å; T812-D814 PolarHBondContact O-N 2.95Å; T812-D814 VanDerWaalsContact O-N 3.16Å | ||
| 813 | T | 44.2 | Very low | 71.5 | Confident | 124.25 Ų | 124.25 | 75.6 Ų | 75.6 | 76% | 0.762 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -68.5 | 98.6 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 114 | L815 | T813-L815 PolarHBondContact O-N 2.87Š|
| 814 | D | 45.7 | Very low | 71.5 | Confident | 144 Ų | 144 | 75.6 Ų | 75.6 | 77% | 0.77 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.3 | 97.5 | 164 | -69.6 | -26.5 | 0 | 0 | 0 | 113.7 | T812 K816 | T812-D814 PolarHBondContact O-N 2.95Å; T812-D814 VanDerWaalsContact O-N 3.16Å; D814-K816 WeakPolarHBondContact O-CG 3.2Å; D814-K816 PolarHBondContact O-N 2.89Å |
| 815 | L | 46.4 | Very low | 71.6 | Confident | 173.25 Ų | 173.25 | 74.4 Ų | 74.4 | 91% | 0.907 | 39% | 0.389 | S | S | * | . | trans | -12.2 | 55.7 | 166.5 | -75.9 | 147.7 | 0 | 0 | 0 | 115.3 | T813 L817 | T813-L815 PolarHBondContact O-N 2.87Å; L815-L817 HydrophobicContact CB-CD1 4.38Å; L815-L817 PolarHBondContact O-N 3.1Å | ||
| 816 | K | 50.1 | Low | 71.7 | Confident | 162 Ų | 162 | 72.5 Ų | 72.5 | 70% | 0.704 | 38% | 0.38 | S | S | * | . | trans | -81.2 | 113 | 175 | -73.3 | 179.4 | -179.2 | 175.6 | 0 | 111.7 | D814 N818 | D814-K816 WeakPolarHBondContact O-CG 3.2Å; D814-K816 PolarHBondContact O-N 2.89Å; K816-N818 PolarHBondContact O-N 3.18Å | ||
| 817 | L | 52.5 | Low | 71.8 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | trans | -53.4 | 126.2 | 169.1 | -130.2 | 87 | 0 | 0 | 0 | 108.7 | L815 T819 | L815-L817 HydrophobicContact CB-CD1 4.38Å; L815-L817 PolarHBondContact O-N 3.1Å; L817-T819 PolarHBondContact O-N 3.22Å | ||
| 818 | N | 62 | Low | 72 | Confident | 53.25 Ų | 53.25 | 68.6 Ų | 68.6 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | trans | -52.3 | 113 | 175.4 | -66.8 | -22.7 | 0 | 0 | 0 | 109 | N765 K816 S822 V823 R837 | N765-N818 PolarHBondContact OD1-ND2 3.03Å; K816-N818 PolarHBondContact O-N 3.18Å; N818-S822 WeakPolarHBondContact CA-OG 3.29Å; N818-S822 WeakPolarHBondContact CB-OG 3.42Å; N818-V823 HydrophobicContact CB-CG2 3.5Å; N818-V823 VanDerWaalsContact CB-CG2 3.47Å; N818-R837 PolarHBondContact ND2-NH1 3.04Å | ||
| 819 | T | 78.8 | Confident | 72.4 | Confident | 54.75 Ų | 54.75 | 64.5 Ų | 64.5 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | trans | -61 | 151.4 | 174.1 | 55 | 0 | 0 | 0 | 0 | 110 | E809 L817 G821 S822 V823 | E809-T819 WeakPolarHBondContact OE1-CG2 3.4Å; E809-T819 WeakPolarHBondContact OE2-CG2 3.4Å; E809-T819 PolarHBondContact OE2-N 3.15Å; E809-T819 VanDerWaalsContact OE2-N 3.16Å; E809-T819 PolarHBondContact OE2-OG1 3.1Å; L817-T819 PolarHBondContact O-N 3.22Å; T819-G821 PolarHBondContact O-N 3.07Å; T819-S822 PolarHBondContact N-OG 3.19Å; T819-S822 VanDerWaalsContact N-OG 3.17Å; T819-S822 PolarHBondContact O-N 3.29Å; T819-S822 PolarHBondContact O-OG 2.98Å; T819-S822 PolarHBondContact OG1-OG 3.37Å; T819-V823 WeakPolarHBondContact O-CG2 3.42Å; T819-V823 PolarHBondContact O-N 3.1Å | ||
| 820 | L | 86.7 | Confident | 73 | Confident | 13.25 Ų | 13.25 | 61.1 Ų | 61.1 | 7% | 0.069 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -48.9 | -39.3 | 177.9 | 175.2 | 63.2 | 0 | 0 | 0 | 111.7 | L745 C757 F760 A761 L764 F805 S822 V823 A824 | L745-L820 HydrophobicContact CD1-CD2 3.97Å; L745-L820 HydrophobicContact CD2-CD2 3.85Å; C757-L820 HydrophobicContact CB-CD2 4.29Å; C757-L820 VanDerWaalsContact SG-CB 3.57Å; C757-L820 VanDerWaalsContact SG-CD2 3.55Å; F760-L820 HydrophobicContact CD1-CD1 3.84Å; A761-L820 HydrophobicContact CB-CB 4.14Å; A761-L820 HydrophobicContact CB-CD1 4.21Å; L764-L820 HydrophobicContact CD1-CD1 4.12Å; F805-L820 HydrophobicContact CD1-CD2 4.43Å; L820-S822 PolarHBondContact O-N 2.86Å; L820-V823 PolarHBondContact O-N 3.32Å; L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å |
| 821 | G | 88.3 | Confident | 74 | Confident | 8.75 Ų | 8.75 | 60.1 Ų | 60.1 | 9% | 0.09 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F805 A806 F807 T819 L825 | F805-G821 WeakPolarHBondContact O-CA 3.38Å; A806-G821 WeakPolarHBondContact CA-O 3.34Å; F807-G821 PolarHBondContact N-O 3.19Å; F807-G821 CarbonylContact O-C 3.52Å; F807-G821 WeakPolarHBondContact O-CA 3.33Å; T819-G821 PolarHBondContact O-N 3.07Å; G821-L825 VanDerWaalsContact O-CB 3.3Å; G821-L825 WeakPolarHBondContact O-CB 3.37Å; G821-L825 PolarHBondContact O-N 3.01Å |
| 822 | S | 88.4 | Confident | 75.5 | Confident | 15.5 Ų | 15.5 | 50.9 Ų | 50.9 | 11% | 0.108 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | F807 E809 N818 T819 L820 L825 D826 | F807-S822 VanDerWaalsContact O-CA 3.31Å; F807-S822 WeakPolarHBondContact O-CA 3.4Å; F807-S822 PolarHBondContact O-N 3.07Å; E809-S822 WeakPolarHBondContact OE2-CB 3.41Å; E809-S822 PolarHBondContact OE2-OG 2.75Å; N818-S822 WeakPolarHBondContact CA-OG 3.29Å; N818-S822 WeakPolarHBondContact CB-OG 3.42Å; T819-S822 PolarHBondContact N-OG 3.19Å; T819-S822 VanDerWaalsContact N-OG 3.17Å; T819-S822 PolarHBondContact O-N 3.29Å; T819-S822 PolarHBondContact O-OG 2.98Å; T819-S822 PolarHBondContact OG1-OG 3.37Å; L820-S822 PolarHBondContact O-N 2.86Å; S822-L825 WeakPolarHBondContact O-CB 3.22Å; S822-L825 PolarHBondContact O-N 3.18Å; S822-D826 PolarHBondContact O-N 3.3Å; S822-D826 VanDerWaalsContact O-N 3.09Å |
| 823 | V | 89.2 | Confident | 77.2 | Confident | 0.25 Ų | 0.25 | 46.3 Ų | 46.3 | 0% | 0.002 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.6 | -44.7 | 178.1 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | L764 N765 N818 T819 L820 L825 D826 W827 M832 | L764-V823 HydrophobicContact CB-CG1 3.44Å; L764-V823 VanDerWaalsContact CB-CG1 3.44Å; L764-V823 HydrophobicContact CD1-CG1 4.09Å; L764-V823 HydrophobicContact CG-CG1 4.45Å; N765-V823 WeakPolarHBondContact ND2-CG2 3.45Å; N765-V823 WeakPolarHBondContact OD1-CG1 3.18Å; N765-V823 WeakPolarHBondContact OD1-CG2 3.4Å; N818-V823 HydrophobicContact CB-CG2 3.5Å; N818-V823 VanDerWaalsContact CB-CG2 3.47Å; T819-V823 WeakPolarHBondContact O-CG2 3.42Å; T819-V823 PolarHBondContact O-N 3.1Å; L820-V823 PolarHBondContact O-N 3.32Å; V823-L825 VanDerWaalsContact C-N 3.28Å; V823-L825 PolarHBondContact O-N 3.19Å; V823-D826 PolarHBondContact O-N 3.24Å; V823-D826 VanDerWaalsContact O-N 3.16Å; V823-W827 VanDerWaalsContact O-CD1 3.27Å; V823-W827 PolarHBondContact O-N 3.21Å; V823-M832 HydrophobicContact CG1-CE 4.35Å |
| 824 | A | 91 | Very high | 78.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -43.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L802 F805 A806 L820 W827 C828 | L802-A824 HydrophobicContact CD1-CB 3.75Å; L802-A824 HydrophobicContact CD2-CB 4.21Å; L802-A824 HydrophobicContact CG-CB 3.72Å; F805-A824 HydrophobicContact CB-CB 4.47Å; A806-A824 HydrophobicContact CB-CB 4.26Å; L820-A824 WeakPolarHBondContact O-CB 3.35Å; L820-A824 PolarHBondContact O-N 3.08Å; A824-W827 PolarHBondContact O-N 3.23Å; A824-C828 WeakPolarHBondContact O-CB 3.37Å; A824-C828 PolarHBondContact O-N 3.22Å; A824-C828 PolarHBondContact O-SG 3.31Å; A824-C828 VanDerWaalsContact O-SG 3.41Å |
| 825 | L | 91.7 | Very high | 80.4 | Confident | 4.25 Ų | 4.25 | 41 Ų | 41 | 2% | 0.022 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 174.5 | -178.5 | 62.8 | 0 | 0 | 0 | 111.2 | A806 K808 G821 S822 V823 W827 C828 L829 L860 V868 E871 | A806-L825 HydrophobicContact CB-CB 4.03Å; A806-L825 HydrophobicContact CB-CD1 4.16Å; K808-L825 HydrophobicContact CB-CD2 4.16Å; K808-L825 HydrophobicContact CG-CD2 4.13Å; G821-L825 VanDerWaalsContact O-CB 3.3Å; G821-L825 WeakPolarHBondContact O-CB 3.37Å; G821-L825 PolarHBondContact O-N 3.01Å; S822-L825 WeakPolarHBondContact O-CB 3.22Å; S822-L825 PolarHBondContact O-N 3.18Å; V823-L825 VanDerWaalsContact C-N 3.28Å; V823-L825 PolarHBondContact O-N 3.19Å; L825-W827 VanDerWaalsContact C-N 3.34Å; L825-W827 PolarHBondContact O-N 3.16Å; L825-C828 PolarHBondContact O-N 3.25Å; L825-L829 HydrophobicContact CD1-CD1 3.79Å; L825-L829 HydrophobicContact CD1-CD2 4.44Å; L825-L829 HydrophobicContact CD1-CG 3.96Å; L825-L829 HydrophobicContact CD2-CD1 4.39Å; L825-L829 HydrophobicContact CG-CD1 3.7Å; L825-L829 HydrophobicContact CG-CG 4.24Å; L825-L829 WeakPolarHBondContact O-CB 3.3Å; L825-L829 WeakPolarHBondContact O-CG 3.36Å; L825-L829 PolarHBondContact O-N 3.19Å; L825-L860 HydrophobicContact CD1-CD1 3.84Å; L825-V868 HydrophobicContact CD1-CG1 3.88Å; L825-V868 HydrophobicContact CD1-CG2 4.48Å; L825-E871 HydrophobicContact CD2-CG 4.46Å |
| 826 | D | 90.5 | Very high | 82 | Confident | 7.5 Ų | 7.5 | 32.8 Ų | 32.8 | 4% | 0.04 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 179.5 | -80.1 | -8.6 | 0 | 0 | 0 | 113.3 | S822 V823 L829 G830 R831 M832 R837 | S822-D826 PolarHBondContact O-N 3.3Å; S822-D826 VanDerWaalsContact O-N 3.09Å; V823-D826 PolarHBondContact O-N 3.24Å; V823-D826 VanDerWaalsContact O-N 3.16Å; D826-L829 PolarHBondContact O-N 2.91Å; D826-G830 PolarHBondContact O-N 3.23Å; D826-R831 HydrophobicContact CB-CB 4.11Å; D826-R831 WeakPolarHBondContact O-CB 3.35Å; D826-R831 PolarHBondContact O-N 2.97Å; D826-R831 WeakPolarHBondContact OD1-CD 3.35Å; D826-R831 IonicContact OD1-CZ 3.39Å; D826-R831 IonicContact OD1-NE 2.94Å; D826-R831 IonicContact OD1-NH1 3.05Å; D826-R831 PolarHBondContact OD1-NH1 3.24Å; D826-M832 HydrophobicContact CB-CE 4.06Å; D826-M832 HydrophobicContact CB-CG 4.42Å; D826-R837 IonicContact OD2-CZ 3.34Å; D826-R837 IonicContact OD2-NE 3.44Å; D826-R837 PolarHBondContact OD2-NE 3.11Å; D826-R837 IonicContact OD2-NH2 3Å; D826-R837 PolarHBondContact OD2-NH2 3.31Å |
| 827 | W | 91.2 | Very high | 83.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 172.1 | -85.2 | 100.2 | 0 | 0 | 0 | 111.7 | L764 W775 L778 H779 L782 I783 L802 V823 A824 L825 L829 G830 M832 | L764-W827 HydrophobicContact CD2-CZ2 4.44Å; L764-W827 PolarHBondContact O-NE1 2.88Å; W775-W827 AromaticContact CH2-CH2 3.79Å; W775-W827 HydrophobicContact CH2-CH2 3.79Å; W775-W827 AromaticContact CH2-CZ2 3.27Å; W775-W827 HydrophobicContact CH2-CZ2 3.27Å; W775-W827 AromaticContact CZ2-CH2 3.75Å; W775-W827 HydrophobicContact CZ2-CH2 3.75Å; W775-W827 AromaticContact CZ2-CZ2 3.71Å; W775-W827 HydrophobicContact CZ2-CZ2 3.71Å; W775-W827 HydrophobicContact CZ3-CH2 4.33Å; W775-W827 AromaticContact CZ3-CZ2 3.81Å; W775-W827 HydrophobicContact CZ3-CZ2 3.81Å; L778-W827 HydrophobicContact CD2-CH2 4.36Å; L778-W827 HydrophobicContact CD2-CZ2 4.02Å; L778-W827 HydrophobicContact CG-CH2 4.22Å; L778-W827 HydrophobicContact CG-CZ2 4.29Å; H779-W827 HydrophobicContact CB-CH2 4.38Å; H779-W827 HydrophobicContact CB-CZ3 4.28Å; H779-W827 AromaticContact CD2-CZ3 3.95Å; L782-W827 HydrophobicContact CB-CE3 3.96Å; L782-W827 HydrophobicContact CB-CZ3 4.06Å; L782-W827 HydrophobicContact CD1-CD2 3.49Å; L782-W827 VanDerWaalsContact CD1-CD2 3.48Å; L782-W827 HydrophobicContact CD1-CE3 3.44Å; L782-W827 VanDerWaalsContact CD1-CE3 3.44Å; L782-W827 HydrophobicContact CD1-CG 4.28Å; L782-W827 HydrophobicContact CD1-CH2 3.51Å; L782-W827 VanDerWaalsContact CD1-CH2 3.49Å; L782-W827 HydrophobicContact CD1-CZ2 3.52Å; L782-W827 HydrophobicContact CD1-CZ3 3.47Å; L782-W827 VanDerWaalsContact CD1-CZ3 3.47Å; L782-W827 HydrophobicContact CG-CE3 4.35Å; L782-W827 HydrophobicContact CG-CZ3 4.4Å; I783-W827 HydrophobicContact CD1-CE3 3.9Å; I783-W827 HydrophobicContact CD1-CZ3 4.12Å; I783-W827 HydrophobicContact CG1-CE3 4.28Å; L802-W827 HydrophobicContact CD2-CB 4.35Å; V823-W827 VanDerWaalsContact O-CD1 3.27Å; V823-W827 PolarHBondContact O-N 3.21Å; A824-W827 PolarHBondContact O-N 3.23Å; L825-W827 VanDerWaalsContact C-N 3.34Å; L825-W827 PolarHBondContact O-N 3.16Å; W827-L829 VanDerWaalsContact C-N 3.26Å; W827-L829 PolarHBondContact O-N 3.1Å; W827-G830 PolarHBondContact O-N 3.11Å; W827-G830 VanDerWaalsContact O-N 3.07Å; W827-M832 HydrophobicContact CD2-CB 3.61Å; W827-M832 HydrophobicContact CD2-CG 3.74Å; W827-M832 HydrophobicContact CE3-CB 3.66Å; W827-M832 HydrophobicContact CE3-CG 4.31Å; W827-M832 HydrophobicContact CG-CB 4.19Å; W827-M832 HydrophobicContact CG-CG 3.86Å; W827-M832 HydrophobicContact CH2-CB 4.06Å; W827-M832 HydrophobicContact CZ2-CB 4.04Å; W827-M832 HydrophobicContact CZ2-CG 4.33Å; W827-M832 HydrophobicContact CZ3-CB 3.86Å |
| 828 | C | 91.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -27.2 | -179.5 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | A824 L825 G830 S856 L860 | A824-C828 WeakPolarHBondContact O-CB 3.37Å; A824-C828 PolarHBondContact O-N 3.22Å; A824-C828 PolarHBondContact O-SG 3.31Å; A824-C828 VanDerWaalsContact O-SG 3.41Å; L825-C828 PolarHBondContact O-N 3.25Å; C828-G830 VanDerWaalsContact C-N 3.33Å; C828-S856 VanDerWaalsContact CA-OG 3.29Å; C828-S856 WeakPolarHBondContact CA-OG 3.34Å; C828-S856 WeakPolarHBondContact CB-OG 3.38Å; C828-S856 VanDerWaalsContact O-CB 3.25Å; C828-S856 WeakPolarHBondContact O-CB 3.24Å; C828-S856 PolarHBondContact O-OG 3.17Å; C828-L860 HydrophobicContact CB-CD1 3.53Å; C828-L860 HydrophobicContact CB-CD2 4.13Å; C828-L860 HydrophobicContact CB-CG 3.96Å |
| 829 | L | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.5 | 174.2 | -65 | 175 | 0 | 0 | 0 | 113.3 | L825 D826 W827 R831 I840 I853 L860 E871 A872 A875 | L825-L829 HydrophobicContact CD1-CD1 3.79Å; L825-L829 HydrophobicContact CD1-CD2 4.44Å; L825-L829 HydrophobicContact CD1-CG 3.96Å; L825-L829 HydrophobicContact CD2-CD1 4.39Å; L825-L829 HydrophobicContact CG-CD1 3.7Å; L825-L829 HydrophobicContact CG-CG 4.24Å; L825-L829 WeakPolarHBondContact O-CB 3.3Å; L825-L829 WeakPolarHBondContact O-CG 3.36Å; L825-L829 PolarHBondContact O-N 3.19Å; D826-L829 PolarHBondContact O-N 2.91Å; W827-L829 VanDerWaalsContact C-N 3.26Å; W827-L829 PolarHBondContact O-N 3.1Å; L829-R831 VanDerWaalsContact C-N 3.3Å; L829-R831 HydrophobicContact CB-CG 4.25Å; L829-R831 PolarHBondContact O-N 3.12Å; L829-I840 WeakPolarHBondContact O-CD1 3.35Å; L829-I853 WeakPolarHBondContact O-CG2 3.23Å; L829-L860 HydrophobicContact CD2-CD1 3.82Å; L829-L860 HydrophobicContact CG-CD1 4.18Å; L829-E871 HydrophobicContact CD1-CB 3.96Å; L829-E871 HydrophobicContact CD2-CB 4.46Å; L829-A872 HydrophobicContact CD2-CB 4.23Å; L829-A875 HydrophobicContact CB-CB 4.49Å; L829-A875 HydrophobicContact CD2-CB 3.83Å |
| 830 | G | 86.4 | Confident | 85.1 | Confident | 0.75 Ų | 0.75 | 29.4 Ų | 29.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 21.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D826 W827 C828 Q843 | D826-G830 PolarHBondContact O-N 3.23Å; W827-G830 PolarHBondContact O-N 3.11Å; W827-G830 VanDerWaalsContact O-N 3.07Å; C828-G830 VanDerWaalsContact C-N 3.33Å; G830-Q843 PolarHBondContact O-NE2 3.29Å |
| 831 | R | 86.9 | Confident | 84.2 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | trans | -77.3 | -13.9 | 173.8 | -66.2 | 172.5 | 175 | 168.1 | 2.1 | 112.7 | D826 L829 R837 Q838 E871 | D826-R831 HydrophobicContact CB-CB 4.11Å; D826-R831 WeakPolarHBondContact O-CB 3.35Å; D826-R831 PolarHBondContact O-N 2.97Å; D826-R831 WeakPolarHBondContact OD1-CD 3.35Å; D826-R831 IonicContact OD1-CZ 3.39Å; D826-R831 IonicContact OD1-NE 2.94Å; D826-R831 IonicContact OD1-NH1 3.05Å; D826-R831 PolarHBondContact OD1-NH1 3.24Å; L829-R831 VanDerWaalsContact C-N 3.3Å; L829-R831 HydrophobicContact CB-CG 4.25Å; L829-R831 PolarHBondContact O-N 3.12Å; R831-R837 CarbonylContact O-C 3.48Å; R831-R837 WeakPolarHBondContact O-CA 3.27Å; R831-Q838 CarbonylContact C-O 3.53Å; R831-Q838 WeakPolarHBondContact CA-O 3.36Å; R831-Q838 PolarHBondContact O-N 3.3Å; R831-E871 IonicContact CZ-OE2 3.17Å; R831-E871 IonicContact NH1-OE2 3.31Å; R831-E871 IonicContact NH2-OE2 3.52Å; R831-E871 PolarHBondContact NH2-OE2 3.1Å | ||
| 832 | M | 86.5 | Confident | 83.2 | Confident | 3.5 Ų | 3.5 | 40.3 Ų | 40.3 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 98.6 | 173.6 | -62.3 | -62 | -171.2 | 0 | 0 | 108.4 | W775 H779 V823 D826 W827 R837 | W775-M832 HydrophobicContact CH2-SD 4.46Å; W775-M832 HydrophobicContact CZ2-CB 4.27Å; W775-M832 HydrophobicContact CZ2-SD 4.5Å; H779-M832 PolarHBondContact CD2-O 3.07Å; H779-M832 VanDerWaalsContact CD2-O 3.28Å; H779-M832 PolarHBondContact NE2-O 2.99Å; V823-M832 HydrophobicContact CG1-CE 4.35Å; D826-M832 HydrophobicContact CB-CE 4.06Å; D826-M832 HydrophobicContact CB-CG 4.42Å; W827-M832 HydrophobicContact CD2-CB 3.61Å; W827-M832 HydrophobicContact CD2-CG 3.74Å; W827-M832 HydrophobicContact CE3-CB 3.66Å; W827-M832 HydrophobicContact CE3-CG 4.31Å; W827-M832 HydrophobicContact CG-CB 4.19Å; W827-M832 HydrophobicContact CG-CG 3.86Å; W827-M832 HydrophobicContact CH2-CB 4.06Å; W827-M832 HydrophobicContact CZ2-CB 4.04Å; W827-M832 HydrophobicContact CZ2-CG 4.33Å; W827-M832 HydrophobicContact CZ3-CB 3.86Å; M832-R837 HydrophobicContact CE-CB 4.48Å; M832-R837 HydrophobicContact CE-CG 4.11Å; M832-R837 HydrophobicContact SD-CB 3.79Å; M832-R837 HydrophobicContact SD-CG 3.76Å |
| 833 | S | 83.2 | Confident | 82.4 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 168.8 | -179.8 | 83.2 | 0 | 0 | 0 | 0 | 111.4 | W775 L835 G836 Q838 Q843 | W775-S833 PolarHBondContact NE1-O 3.39Å; S833-L835 PolarHBondContact O-N 3.32Å; S833-L835 VanDerWaalsContact O-N 3.09Å; S833-L835 WeakPolarHBondContact OG-CA 3.28Å; S833-L835 PolarHBondContact OG-N 3.23Å; S833-L835 VanDerWaalsContact OG-N 3.08Å; S833-G836 WeakPolarHBondContact CA-O 3.44Å; S833-G836 WeakPolarHBondContact CB-O 3.37Å; S833-G836 PolarHBondContact N-O 2.95Å; S833-G836 PolarHBondContact O-N 3.11Å; S833-G836 PolarHBondContact OG-N 3.34Å; S833-G836 VanDerWaalsContact OG-N 3.15Å; S833-G836 PolarHBondContact OG-O 3.26Å; S833-G836 VanDerWaalsContact OG-O 3.05Å; S833-Q838 PolarHBondContact OG-OE1 3.44Å; S833-Q843 VanDerWaalsContact CB-CD 3.46Å |
| 834 | P | 78.5 | Confident | 81.5 | Confident | 40 Ų | 40 | 48.3 Ų | 48.3 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.1 | 170 | -21.9 | 33.7 | 0 | 0 | 0 | 113.5 | H779 | H779-P834 WeakPolarHBondContact NE2-CD 3.42Š|
| 835 | L | 78.3 | Confident | 80.5 | Confident | 117.75 Ų | 117.75 | 50.1 Ų | 50.1 | 62% | 0.616 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 12.5 | 176.2 | -60.4 | 172.8 | 0 | 0 | 0 | 112.4 | Y767 S833 | Y767-L835 VanDerWaalsContact CE2-C 3.45Å; Y767-L835 VanDerWaalsContact CZ-C 3.41Å; Y767-L835 VanDerWaalsContact OH-C 3.31Å; Y767-L835 PolarHBondContact OH-O 3.39Å; S833-L835 PolarHBondContact O-N 3.32Å; S833-L835 VanDerWaalsContact O-N 3.09Å; S833-L835 WeakPolarHBondContact OG-CA 3.28Å; S833-L835 PolarHBondContact OG-N 3.23Å; S833-L835 VanDerWaalsContact OG-N 3.08Å |
| 836 | G | 80.1 | Confident | 79.6 | Confident | 0.5 Ų | 0.5 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103 | -165.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y767 S833 Q838 | Y767-G836 VanDerWaalsContact CD1-CA 3.47Å; Y767-G836 VanDerWaalsContact CE1-CA 3.48Å; Y767-G836 VanDerWaalsContact CE2-N 3.27Å; Y767-G836 VanDerWaalsContact CG-CA 3.41Å; Y767-G836 VanDerWaalsContact CZ-CA 3.46Å; S833-G836 WeakPolarHBondContact CA-O 3.44Å; S833-G836 WeakPolarHBondContact CB-O 3.37Å; S833-G836 PolarHBondContact N-O 2.95Å; S833-G836 PolarHBondContact O-N 3.11Å; S833-G836 PolarHBondContact OG-N 3.34Å; S833-G836 VanDerWaalsContact OG-N 3.15Å; S833-G836 PolarHBondContact OG-O 3.26Å; S833-G836 VanDerWaalsContact OG-O 3.05Å; G836-Q838 PolarHBondContact O-N 3.08Å |
| 837 | R | 82.1 | Confident | 78.7 | Confident | 129 Ų | 129 | 59.1 Ų | 59.1 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 110.2 | -175.4 | -165 | 175.9 | -173.9 | -161.8 | 0.9 | 110.4 | N818 D826 R831 M832 | N818-R837 PolarHBondContact ND2-NH1 3.04Å; D826-R837 IonicContact OD2-CZ 3.34Å; D826-R837 IonicContact OD2-NE 3.44Å; D826-R837 PolarHBondContact OD2-NE 3.11Å; D826-R837 IonicContact OD2-NH2 3Å; D826-R837 PolarHBondContact OD2-NH2 3.31Å; R831-R837 CarbonylContact O-C 3.48Å; R831-R837 WeakPolarHBondContact O-CA 3.27Å; M832-R837 HydrophobicContact CE-CB 4.48Å; M832-R837 HydrophobicContact CE-CG 4.11Å; M832-R837 HydrophobicContact SD-CB 3.79Å; M832-R837 HydrophobicContact SD-CG 3.76Å |
| 838 | Q | 80.9 | Confident | 77.8 | Confident | 58.25 Ų | 58.25 | 63 Ų | 63 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | trans | -139.5 | 146.9 | -178.5 | -69.8 | 178.6 | -2.9 | 0 | 0 | 109.6 | R831 S833 G836 E842 Q843 | R831-Q838 CarbonylContact C-O 3.53Å; R831-Q838 WeakPolarHBondContact CA-O 3.36Å; R831-Q838 PolarHBondContact O-N 3.3Å; S833-Q838 PolarHBondContact OG-OE1 3.44Å; G836-Q838 PolarHBondContact O-N 3.08Å; Q838-E842 HydrophobicContact CB-CB 4.47Å; Q838-Q843 HydrophobicContact CB-CG 3.79Å; Q838-Q843 PolarHBondContact O-NE2 3.04Å | ||
| 839 | K | 75.7 | Confident | 77.2 | Confident | 131.25 Ų | 131.25 | 63.9 Ų | 63.9 | 57% | 0.571 | 30% | 0.304 | S | S | * | . | trans | -65.2 | 147.5 | 170.1 | -68.7 | -180 | 178.8 | 177.5 | 0 | 109 | E841 E842 Q843 | K839-E841 PolarHBondContact O-N 3Å; K839-E841 VanDerWaalsContact O-N 3.1Å; K839-E842 HydrophobicContact CB-CG 4.23Å; K839-E842 PolarHBondContact N-OE2 3.1Å; K839-E842 VanDerWaalsContact N-OE2 3.11Å; K839-E842 WeakPolarHBondContact O-CB 3.43Å; K839-E842 PolarHBondContact O-N 3.26Å; K839-Q843 WeakPolarHBondContact O-CG 3.45Å; K839-Q843 PolarHBondContact O-N 3.17Å | ||
| 840 | I | 70.5 | Confident | 76.8 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.062 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -52.9 | -37.1 | 177.7 | -57.9 | 174.1 | 0 | 0 | 0 | 110.6 | L829 E842 Q843 L845 A875 C878 F882 | L829-I840 WeakPolarHBondContact O-CD1 3.35Å; I840-E842 PolarHBondContact O-N 3.05Å; I840-Q843 PolarHBondContact O-N 2.9Å; I840-L845 HydrophobicContact CG2-CD1 3.87Å; I840-A875 HydrophobicContact CD1-CB 3.68Å; I840-C878 HydrophobicContact CG2-CB 4.4Å; I840-F882 HydrophobicContact CG2-CD2 4.19Å; I840-F882 HydrophobicContact CG2-CE2 4.01Å; I840-F882 VanDerWaalsContact O-CE2 3.28Å; I840-F882 WeakPolarHBondContact O-CE2 3.25Å; I840-F882 WeakPolarHBondContact O-CZ 3.39Å |
| 841 | E | 68.3 | Low | 76.5 | Confident | 130.25 Ų | 130.25 | 64.9 Ų | 64.9 | 61% | 0.609 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -59.8 | -26.5 | 177.5 | -65.8 | 176.4 | -179.2 | 0 | 0 | 114.5 | K839 | K839-E841 PolarHBondContact O-N 3Å; K839-E841 VanDerWaalsContact O-N 3.1Å |
| 842 | E | 66.4 | Low | 76.4 | Confident | 121.75 Ų | 121.75 | 62.2 Ų | 62.2 | 57% | 0.569 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -93.2 | -12.3 | -177.1 | -63.5 | 162.9 | 178.1 | 0 | 0 | 112 | Q838 K839 I840 | Q838-E842 HydrophobicContact CB-CB 4.47Å; K839-E842 HydrophobicContact CB-CG 4.23Å; K839-E842 PolarHBondContact N-OE2 3.1Å; K839-E842 VanDerWaalsContact N-OE2 3.11Å; K839-E842 WeakPolarHBondContact O-CB 3.43Å; K839-E842 PolarHBondContact O-N 3.26Å; I840-E842 PolarHBondContact O-N 3.05Å |
| 843 | Q | 71.7 | Confident | 76.3 | Confident | 9.25 Ų | 9.25 | 62.2 Ų | 62.2 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | trans | -90.1 | 132.3 | -173.7 | -64.5 | 179.1 | 36.4 | 0 | 0 | 111.9 | G830 S833 Q838 K839 I840 L845 | G830-Q843 PolarHBondContact O-NE2 3.29Å; S833-Q843 VanDerWaalsContact CB-CD 3.46Å; Q838-Q843 HydrophobicContact CB-CG 3.79Å; Q838-Q843 PolarHBondContact O-NE2 3.04Å; K839-Q843 WeakPolarHBondContact O-CG 3.45Å; K839-Q843 PolarHBondContact O-N 3.17Å; I840-Q843 PolarHBondContact O-N 2.9Å; Q843-L845 VanDerWaalsContact C-N 3.28Å; Q843-L845 HydrophobicContact CB-CD1 4.29Å; Q843-L845 HydrophobicContact CB-CD2 4.38Å; Q843-L845 HydrophobicContact CB-CG 3.85Å; Q843-L845 PolarHBondContact O-N 3.04Å; Q843-L845 VanDerWaalsContact O-N 3.11Å | ||
| 844 | N | 70.3 | Confident | 76.6 | Confident | 174 Ų | 174 | 62.1 Ų | 62.1 | 93% | 0.93 | 30% | 0.299 | S | S | * | . | trans | -81.9 | 76.1 | 165.3 | -75.1 | -28.1 | 0 | 0 | 0 | 109.5 | ||||
| 845 | L | 70.3 | Confident | 77.1 | Confident | 37.75 Ų | 37.75 | 61.1 Ų | 61.1 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | trans | -71.9 | 127.4 | -178.9 | -71.6 | 161.1 | 0 | 0 | 0 | 111.1 | I840 Q843 N849 L850 I853 | I840-L845 HydrophobicContact CG2-CD1 3.87Å; Q843-L845 VanDerWaalsContact C-N 3.28Å; Q843-L845 HydrophobicContact CB-CD1 4.29Å; Q843-L845 HydrophobicContact CB-CD2 4.38Å; Q843-L845 HydrophobicContact CB-CG 3.85Å; Q843-L845 PolarHBondContact O-N 3.04Å; Q843-L845 VanDerWaalsContact O-N 3.11Å; L845-N849 HydrophobicContact CD2-CB 4Å; L845-L850 HydrophobicContact CB-CB 4.33Å; L845-L850 HydrophobicContact CB-CD1 4.4Å; L845-L850 HydrophobicContact CD1-CD1 4Å; L845-I853 HydrophobicContact CD1-CD1 4.23Å; L845-I853 HydrophobicContact CD2-CD1 3.57Å | ||
| 846 | D | 72.6 | Confident | 77.7 | Confident | 93.25 Ų | 93.25 | 55.6 Ų | 55.6 | 50% | 0.499 | 26% | 0.264 | S | S | . | . | trans | -69.5 | 159.2 | 163.8 | 46.7 | 3.3 | 0 | 0 | 0 | 110.4 | H848 N849 L850 | D846-H848 PolarHBondContact O-N 3Å; D846-H848 VanDerWaalsContact O-N 3.15Å; D846-H848 PolarHBondContact OD1-N 3.07Å; D846-N849 VanDerWaalsContact CG-ND2 3.32Å; D846-N849 PolarHBondContact O-N 3.16Å; D846-N849 WeakPolarHBondContact OD1-CA 3.47Å; D846-N849 WeakPolarHBondContact OD1-CB 3.21Å; D846-N849 PolarHBondContact OD1-N 3.1Å; D846-N849 PolarHBondContact OD1-ND2 2.92Å; D846-N849 PolarHBondContact OD2-ND2 2.82Å; D846-L850 WeakPolarHBondContact O-CB 3.37Å; D846-L850 PolarHBondContact O-N 3.28Å; D846-L850 VanDerWaalsContact O-N 3.07Å | ||
| 847 | K | 72.1 | Confident | 78.2 | Confident | 107.75 Ų | 107.75 | 55.6 Ų | 55.6 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.2 | -31.8 | -176.7 | -166.7 | 176.7 | -176.6 | -177.1 | 0 | 112.3 | M851 S1098 D1099 | K847-M851 PolarHBondContact O-N 3.16Å; K847-S1098 WeakPolarHBondContact CD-OG 3.17Å; K847-S1098 WeakPolarHBondContact CE-OG 3.33Å; K847-S1098 PolarHBondContact NZ-OG 3.12Å; K847-S1098 VanDerWaalsContact NZ-OG 3.08Å; K847-D1099 WeakPolarHBondContact CE-OD1 3.28Å; K847-D1099 VanDerWaalsContact NZ-CG 3.25Å; K847-D1099 IonicContact NZ-OD1 3.1Å; K847-D1099 PolarHBondContact NZ-OD1 3.4Å; K847-D1099 IonicContact NZ-OD2 2.94Å; K847-D1099 PolarHBondContact NZ-OD2 3.15Å |
| 848 | H | 72.7 | Confident | 78.6 | Confident | 82.25 Ų | 82.25 | 49.5 Ų | 49.5 | 38% | 0.381 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74 | -48.2 | -179.3 | -171.1 | 62.5 | 0 | 0 | 0 | 112.5 | D846 L850 M851 N852 | D846-H848 PolarHBondContact O-N 3Å; D846-H848 VanDerWaalsContact O-N 3.15Å; D846-H848 PolarHBondContact OD1-N 3.07Å; H848-L850 VanDerWaalsContact C-N 3.33Å; H848-L850 PolarHBondContact O-N 3.23Å; H848-M851 WeakPolarHBondContact O-CB 3.38Å; H848-M851 PolarHBondContact O-N 3.15Å; H848-M851 VanDerWaalsContact O-N 3.12Å; H848-N852 PolarHBondContact CD2-ND2 3.44Å; H848-N852 PolarHBondContact NE2-ND2 3.33Å; H848-N852 PolarHBondContact O-N 3.06Å; H848-N852 VanDerWaalsContact O-N 3.09Å; H848-N852 PolarHBondContact O-ND2 3.25Å |
| 849 | N | 77.6 | Confident | 79.1 | Confident | 21.5 Ų | 21.5 | 46.9 Ų | 46.9 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 177.7 | -72.1 | -35.7 | 0 | 0 | 0 | 111.7 | L845 D846 M851 N852 I853 | L845-N849 HydrophobicContact CD2-CB 4Å; D846-N849 VanDerWaalsContact CG-ND2 3.32Å; D846-N849 PolarHBondContact O-N 3.16Å; D846-N849 WeakPolarHBondContact OD1-CA 3.47Å; D846-N849 WeakPolarHBondContact OD1-CB 3.21Å; D846-N849 PolarHBondContact OD1-N 3.1Å; D846-N849 PolarHBondContact OD1-ND2 2.92Å; D846-N849 PolarHBondContact OD2-ND2 2.82Å; N849-M851 PolarHBondContact O-N 3.14Å; N849-N852 PolarHBondContact O-N 2.96Å; N849-I853 WeakPolarHBondContact O-CB 3.42Å; N849-I853 VanDerWaalsContact O-CG1 3.27Å; N849-I853 WeakPolarHBondContact O-CG1 3.34Å; N849-I853 PolarHBondContact O-N 3.02Å |
| 850 | L | 80.8 | Confident | 79.9 | Confident | 12.25 Ų | 12.25 | 40.6 Ų | 40.6 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.5 | -39.7 | 173.6 | -172.7 | 86.6 | 0 | 0 | 0 | 111.4 | L845 D846 H848 L854 C879 F882 H883 | L845-L850 HydrophobicContact CB-CB 4.33Å; L845-L850 HydrophobicContact CB-CD1 4.4Å; L845-L850 HydrophobicContact CD1-CD1 4Å; D846-L850 WeakPolarHBondContact O-CB 3.37Å; D846-L850 PolarHBondContact O-N 3.28Å; D846-L850 VanDerWaalsContact O-N 3.07Å; H848-L850 VanDerWaalsContact C-N 3.33Å; H848-L850 PolarHBondContact O-N 3.23Å; L850-L854 VanDerWaalsContact O-CB 3.27Å; L850-L854 WeakPolarHBondContact O-CB 3.3Å; L850-L854 PolarHBondContact O-N 3.03Å; L850-C879 HydrophobicContact CD1-CB 3.9Å; L850-C879 HydrophobicContact CG-CB 4.43Å; L850-F882 HydrophobicContact CD1-CB 4.09Å; L850-F882 HydrophobicContact CD2-CB 4.46Å; L850-H883 HydrophobicContact CD2-CB 4.18Å |
| 851 | M | 80.9 | Confident | 80.9 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.5 | -41 | 180 | -171.6 | 52 | 56.7 | 0 | 0 | 113.1 | K847 H848 N849 I853 L854 T855 S1095 S1098 L1101 | K847-M851 PolarHBondContact O-N 3.16Å; H848-M851 WeakPolarHBondContact O-CB 3.38Å; H848-M851 PolarHBondContact O-N 3.15Å; H848-M851 VanDerWaalsContact O-N 3.12Å; N849-M851 PolarHBondContact O-N 3.14Å; M851-I853 VanDerWaalsContact C-N 3.3Å; M851-I853 PolarHBondContact O-N 3.21Å; M851-L854 HydrophobicContact CE-CD2 3.71Å; M851-L854 PolarHBondContact O-N 2.97Å; M851-L854 HydrophobicContact SD-CB 4.49Å; M851-L854 HydrophobicContact SD-CD2 4.12Å; M851-T855 HydrophobicContact CE-CG2 3.7Å; M851-T855 WeakPolarHBondContact O-CB 3.31Å; M851-T855 WeakPolarHBondContact O-CG2 3.36Å; M851-T855 PolarHBondContact O-N 3.23Å; M851-T855 PolarHBondContact O-OG1 3.28Å; M851-T855 HydrophobicContact SD-CG2 4.09Å; M851-S1095 VanDerWaalsContact CE-O 3.29Å; M851-S1095 WeakPolarHBondContact CE-O 3.47Å; M851-S1098 VanDerWaalsContact CE-CA 3.48Å; M851-S1098 WeakPolarHBondContact CE-O 3.36Å; M851-L1101 HydrophobicContact CE-CB 4.02Å; M851-L1101 HydrophobicContact CE-CD2 3.63Å; M851-L1101 HydrophobicContact CE-CG 4.32Å; M851-L1101 HydrophobicContact SD-CB 4.05Å; M851-L1101 HydrophobicContact SD-CD2 3.88Å; M851-L1101 HydrophobicContact SD-CG 4.43Å |
| 852 | N | 84.1 | Confident | 81.9 | Confident | 11.25 Ų | 11.25 | 34.2 Ų | 34.2 | 6% | 0.06 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 176.1 | -65.6 | -26.8 | 0 | 0 | 0 | 111.3 | I783 P785 H848 N849 T855 S856 | I783-N852 HydrophobicContact CG2-CB 3.55Å; P785-N852 VanDerWaalsContact CD-CG 3.49Å; P785-N852 VanDerWaalsContact CD-OD1 3.23Å; P785-N852 WeakPolarHBondContact CD-OD1 3.31Å; H848-N852 PolarHBondContact CD2-ND2 3.44Å; H848-N852 PolarHBondContact NE2-ND2 3.33Å; H848-N852 PolarHBondContact O-N 3.06Å; H848-N852 VanDerWaalsContact O-N 3.09Å; H848-N852 PolarHBondContact O-ND2 3.25Å; N849-N852 PolarHBondContact O-N 2.96Å; N852-T855 WeakPolarHBondContact CA-OG1 3.4Å; N852-T855 PolarHBondContact O-N 3.09Å; N852-T855 PolarHBondContact O-OG1 3.27Å; N852-S856 WeakPolarHBondContact O-CB 3.4Å; N852-S856 PolarHBondContact O-N 3.32Å; N852-S856 VanDerWaalsContact O-N 3.11Å |
| 853 | I | 86.1 | Confident | 83.1 | Confident | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 173.4 | -65.1 | 166.5 | 0 | 0 | 0 | 110.5 | I783 L829 L845 N849 M851 T855 S856 C857 | I783-I853 HydrophobicContact CG2-CG1 4.44Å; L829-I853 WeakPolarHBondContact O-CG2 3.23Å; L845-I853 HydrophobicContact CD1-CD1 4.23Å; L845-I853 HydrophobicContact CD2-CD1 3.57Å; N849-I853 WeakPolarHBondContact O-CB 3.42Å; N849-I853 VanDerWaalsContact O-CG1 3.27Å; N849-I853 WeakPolarHBondContact O-CG1 3.34Å; N849-I853 PolarHBondContact O-N 3.02Å; M851-I853 VanDerWaalsContact C-N 3.3Å; M851-I853 PolarHBondContact O-N 3.21Å; I853-T855 VanDerWaalsContact C-N 3.3Å; I853-T855 PolarHBondContact O-N 3.22Å; I853-S856 CarbonylContact O-C 3.58Å; I853-S856 WeakPolarHBondContact O-CA 3.28Å; I853-S856 WeakPolarHBondContact O-CB 3.29Å; I853-S856 PolarHBondContact O-N 3.14Å; I853-S856 VanDerWaalsContact O-N 3.13Å; I853-C857 PolarHBondContact O-N 3.15Å; I853-C857 PolarHBondContact O-SG 3.25Å |
| 854 | L | 87.9 | Confident | 83.8 | Confident | 0.75 Ų | 0.75 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 178.5 | -177.2 | 67.5 | 0 | 0 | 0 | 111.4 | L850 M851 S856 C857 C858 I876 C879 L1101 C1102 I1105 | L850-L854 VanDerWaalsContact O-CB 3.27Å; L850-L854 WeakPolarHBondContact O-CB 3.3Å; L850-L854 PolarHBondContact O-N 3.03Å; M851-L854 HydrophobicContact CE-CD2 3.71Å; M851-L854 PolarHBondContact O-N 2.97Å; M851-L854 HydrophobicContact SD-CB 4.49Å; M851-L854 HydrophobicContact SD-CD2 4.12Å; L854-S856 VanDerWaalsContact C-N 3.29Å; L854-S856 PolarHBondContact O-N 3.25Å; L854-C857 PolarHBondContact O-N 3.38Å; L854-C857 VanDerWaalsContact O-N 3.14Å; L854-C858 PolarHBondContact O-N 3.05Å; L854-C858 PolarHBondContact O-SG 3.31Å; L854-I876 HydrophobicContact CD1-CB 4.34Å; L854-I876 HydrophobicContact CD1-CG1 3.99Å; L854-I876 HydrophobicContact CD1-CG2 4.03Å; L854-C879 HydrophobicContact CD1-CB 4.11Å; L854-L1101 HydrophobicContact CD2-CB 4.38Å; L854-L1101 HydrophobicContact CD2-CD2 3.86Å; L854-L1101 HydrophobicContact CD2-CG 3.97Å; L854-L1101 HydrophobicContact CG-CD2 3.95Å; L854-L1101 HydrophobicContact CG-CG 4.43Å; L854-C1102 VanDerWaalsContact CD2-SG 3.56Å; L854-C1102 WeakPolarHBondContact CD2-SG 3.42Å; L854-I1105 HydrophobicContact CD1-CD1 3.97Å; L854-I1105 HydrophobicContact CD2-CD1 4.23Å; L854-I1105 HydrophobicContact CG-CD1 4.24Å |
| 855 | T | 89.6 | Confident | 84.6 | Confident | 18.75 Ų | 18.75 | 25.2 Ų | 25.2 | 12% | 0.115 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 177.2 | 0.1 | 0 | 0 | 0 | 0 | 112 | M851 N852 I853 R859 L1101 A1129 | M851-T855 HydrophobicContact CE-CG2 3.7Å; M851-T855 WeakPolarHBondContact O-CB 3.31Å; M851-T855 WeakPolarHBondContact O-CG2 3.36Å; M851-T855 PolarHBondContact O-N 3.23Å; M851-T855 PolarHBondContact O-OG1 3.28Å; M851-T855 HydrophobicContact SD-CG2 4.09Å; N852-T855 WeakPolarHBondContact CA-OG1 3.4Å; N852-T855 PolarHBondContact O-N 3.09Å; N852-T855 PolarHBondContact O-OG1 3.27Å; I853-T855 VanDerWaalsContact C-N 3.3Å; I853-T855 PolarHBondContact O-N 3.22Å; T855-R859 WeakPolarHBondContact O-CG 3.29Å; T855-R859 PolarHBondContact O-N 3.06Å; T855-R859 PolarHBondContact O-NE 3.26Å; T855-L1101 HydrophobicContact CG2-CD2 3.6Å; T855-A1129 HydrophobicContact CG2-CB 4.41Å |
| 856 | S | 90 | Very high | 85.4 | Confident | 2.5 Ų | 2.5 | 27.4 Ų | 27.4 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | C828 N852 I853 L854 C858 R859 L860 | C828-S856 VanDerWaalsContact CA-OG 3.29Å; C828-S856 WeakPolarHBondContact CA-OG 3.34Å; C828-S856 WeakPolarHBondContact CB-OG 3.38Å; C828-S856 VanDerWaalsContact O-CB 3.25Å; C828-S856 WeakPolarHBondContact O-CB 3.24Å; C828-S856 PolarHBondContact O-OG 3.17Å; N852-S856 WeakPolarHBondContact O-CB 3.4Å; N852-S856 PolarHBondContact O-N 3.32Å; N852-S856 VanDerWaalsContact O-N 3.11Å; I853-S856 CarbonylContact O-C 3.58Å; I853-S856 WeakPolarHBondContact O-CA 3.28Å; I853-S856 WeakPolarHBondContact O-CB 3.29Å; I853-S856 PolarHBondContact O-N 3.14Å; I853-S856 VanDerWaalsContact O-N 3.13Å; L854-S856 VanDerWaalsContact C-N 3.29Å; L854-S856 PolarHBondContact O-N 3.25Å; S856-C858 VanDerWaalsContact C-N 3.33Å; S856-C858 PolarHBondContact O-N 3.17Å; S856-R859 VanDerWaalsContact CA-CZ 3.5Å; S856-R859 VanDerWaalsContact CA-NH2 3.3Å; S856-R859 WeakPolarHBondContact O-CB 3.4Å; S856-R859 PolarHBondContact O-N 3.11Å; S856-R859 VanDerWaalsContact O-N 3.15Å; S856-L860 PolarHBondContact O-N 3.11Å |
| 857 | C | 91 | Very high | 86.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | I853 L854 R859 L860 L861 I876 | I853-C857 PolarHBondContact O-N 3.15Å; I853-C857 PolarHBondContact O-SG 3.25Å; L854-C857 PolarHBondContact O-N 3.38Å; L854-C857 VanDerWaalsContact O-N 3.14Å; C857-R859 VanDerWaalsContact C-N 3.28Å; C857-R859 PolarHBondContact O-N 3.12Å; C857-L860 CarbonylContact O-C 3.49Å; C857-L860 WeakPolarHBondContact O-CA 3.23Å; C857-L860 WeakPolarHBondContact O-CB 3.28Å; C857-L860 PolarHBondContact O-N 3.11Å; C857-L860 VanDerWaalsContact O-N 3.07Å; C857-L861 PolarHBondContact O-N 3.01Å; C857-I876 HydrophobicContact CB-CD1 3.93Å; C857-I876 HydrophobicContact CB-CG1 3.56Å |
| 858 | C | 90.8 | Very high | 86.9 | Confident | 0.75 Ų | 0.75 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -37.4 | 173.9 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | L854 S856 L860 L861 I1125 A1129 | L854-C858 PolarHBondContact O-N 3.05Å; L854-C858 PolarHBondContact O-SG 3.31Å; S856-C858 VanDerWaalsContact C-N 3.33Å; S856-C858 PolarHBondContact O-N 3.17Å; C858-L860 VanDerWaalsContact C-N 3.34Å; C858-L861 PolarHBondContact O-N 3.27Å; C858-I1125 HydrophobicContact CB-CG2 4.02Å; C858-A1129 HydrophobicContact CB-CB 4.11Å |
| 859 | R | 92.3 | Very high | 87.7 | Confident | 3.75 Ų | 3.75 | 19.6 Ų | 19.6 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 172.1 | -67 | 173.6 | -93.5 | 151.7 | -9.8 | 111 | T799 T855 S856 C857 L861 L862 A1129 F1130 Y1152 | T799-R859 PolarHBondContact O-NH1 2.95Å; T799-R859 PolarHBondContact OG1-NH1 3.29Å; T799-R859 PolarHBondContact OG1-NH2 3.36Å; T799-R859 VanDerWaalsContact OG1-NH2 3.13Å; T855-R859 WeakPolarHBondContact O-CG 3.29Å; T855-R859 PolarHBondContact O-N 3.06Å; T855-R859 PolarHBondContact O-NE 3.26Å; S856-R859 VanDerWaalsContact CA-CZ 3.5Å; S856-R859 VanDerWaalsContact CA-NH2 3.3Å; S856-R859 WeakPolarHBondContact O-CB 3.4Å; S856-R859 PolarHBondContact O-N 3.11Å; S856-R859 VanDerWaalsContact O-N 3.15Å; C857-R859 VanDerWaalsContact C-N 3.28Å; C857-R859 PolarHBondContact O-N 3.12Å; R859-L861 VanDerWaalsContact C-N 3.31Å; R859-L861 PolarHBondContact O-N 3.13Å; R859-L862 WeakPolarHBondContact O-CB 3.35Å; R859-L862 PolarHBondContact O-N 3.13Å; R859-L862 VanDerWaalsContact O-N 3.08Å; R859-A1129 WeakPolarHBondContact CD-O 3.19Å; R859-A1129 HydrophobicContact CG-CB 3.89Å; R859-F1130 HydrophobicContact CB-CE1 4.4Å; R859-F1130 HydrophobicContact CB-CZ 4.01Å; R859-F1130 HydrophobicContact CG-CD1 4.29Å; R859-F1130 HydrophobicContact CG-CD2 4.48Å; R859-F1130 HydrophobicContact CG-CE1 3.81Å; R859-F1130 HydrophobicContact CG-CE2 4.07Å; R859-F1130 HydrophobicContact CG-CZ 3.69Å; R859-Y1152 HydrophobicContact CB-CE1 4.08Å; R859-Y1152 WeakPolarHBondContact O-CD1 3.37Å; R859-Y1152 VanDerWaalsContact O-CE1 3.3Å; R859-Y1152 WeakPolarHBondContact O-CE1 3.41Å |
| 860 | L | 92.3 | Very high | 88.1 | Confident | 0.25 Ų | 0.25 | 20.5 Ų | 20.5 | 0% | 0.001 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.8 | -24.4 | 177.8 | -67.9 | -174.3 | 0 | 0 | 0 | 114.2 | A806 L825 C828 L829 S856 C857 C858 L862 H863 V868 R869 A872 | A806-L860 HydrophobicContact CB-CD2 4.09Å; L825-L860 HydrophobicContact CD1-CD1 3.84Å; C828-L860 HydrophobicContact CB-CD1 3.53Å; C828-L860 HydrophobicContact CB-CD2 4.13Å; C828-L860 HydrophobicContact CB-CG 3.96Å; L829-L860 HydrophobicContact CD2-CD1 3.82Å; L829-L860 HydrophobicContact CG-CD1 4.18Å; S856-L860 PolarHBondContact O-N 3.11Å; C857-L860 CarbonylContact O-C 3.49Å; C857-L860 WeakPolarHBondContact O-CA 3.23Å; C857-L860 WeakPolarHBondContact O-CB 3.28Å; C857-L860 PolarHBondContact O-N 3.11Å; C857-L860 VanDerWaalsContact O-N 3.07Å; C858-L860 VanDerWaalsContact C-N 3.34Å; L860-L862 PolarHBondContact O-N 3.26Å; L860-H863 WeakPolarHBondContact O-CB 3.28Å; L860-H863 PolarHBondContact O-N 3.41Å; L860-V868 HydrophobicContact CB-CG1 4.28Å; L860-V868 HydrophobicContact CD1-CG1 4.32Å; L860-V868 HydrophobicContact CD2-CG1 4.02Å; L860-V868 HydrophobicContact CG-CG1 4.43Å; L860-R869 WeakPolarHBondContact O-CG 3.47Å; L860-A872 HydrophobicContact CB-CB 3.57Å; L860-A872 HydrophobicContact CD1-CB 4.37Å |
| 861 | L | 90.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.5 | 170 | -72.1 | -177.9 | 0 | 0 | 0 | 112.7 | C857 C858 R859 H863 R869 A872 A873 I876 L953 F957 | C857-L861 PolarHBondContact O-N 3.01Å; C858-L861 PolarHBondContact O-N 3.27Å; R859-L861 VanDerWaalsContact C-N 3.31Å; R859-L861 PolarHBondContact O-N 3.13Å; L861-H863 VanDerWaalsContact C-N 3.33Å; L861-R869 WeakPolarHBondContact CD2-O 3.34Å; L861-R869 WeakPolarHBondContact O-CD 3.31Å; L861-R869 WeakPolarHBondContact O-CG 2.82Å; L861-A872 HydrophobicContact CD2-CB 4.1Å; L861-A872 HydrophobicContact CG-CB 4.38Å; L861-A873 HydrophobicContact CD2-CB 4.02Å; L861-I876 HydrophobicContact CD1-CD1 3.32Å; L861-I876 HydrophobicContact CD2-CD1 4.2Å; L861-I876 HydrophobicContact CG-CD1 3.64Å; L861-L953 HydrophobicContact CB-CB 4.41Å; L861-L953 HydrophobicContact CB-CD1 3.54Å; L861-L953 HydrophobicContact CB-CG 4.45Å; L861-L953 HydrophobicContact CD1-CD1 4.19Å; L861-L953 HydrophobicContact CD1-CD2 4.41Å; L861-L953 HydrophobicContact CD1-CG 4.46Å; L861-L953 HydrophobicContact CD2-CB 4.39Å; L861-L953 HydrophobicContact CG-CD1 4.23Å; L861-F957 HydrophobicContact CB-CD1 3.9Å; L861-F957 HydrophobicContact CB-CD2 4.28Å; L861-F957 HydrophobicContact CB-CE1 4.02Å; L861-F957 HydrophobicContact CB-CE2 4.38Å; L861-F957 HydrophobicContact CB-CG 4.03Å; L861-F957 HydrophobicContact CB-CZ 4.26Å; L861-F957 HydrophobicContact CD1-CD2 3.99Å; L861-F957 HydrophobicContact CD1-CE1 4.44Å; L861-F957 HydrophobicContact CD1-CE2 3.61Å; L861-F957 HydrophobicContact CD1-CG 4.47Å; L861-F957 HydrophobicContact CD1-CZ 3.87Å |
| 862 | L | 89.6 | Confident | 88.9 | Confident | 3.75 Ų | 3.75 | 21 Ų | 21 | 2% | 0.02 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.1 | 173.3 | -59.2 | 162.5 | 0 | 0 | 0 | 111.9 | R859 L860 L953 F957 T1126 F1130 Y1152 Q1153 L1154 | R859-L862 WeakPolarHBondContact O-CB 3.35Å; R859-L862 PolarHBondContact O-N 3.13Å; R859-L862 VanDerWaalsContact O-N 3.08Å; L860-L862 PolarHBondContact O-N 3.26Å; L862-L953 HydrophobicContact CD2-CB 3.83Å; L862-F957 HydrophobicContact CD2-CD1 3.61Å; L862-F957 HydrophobicContact CD2-CE1 3.85Å; L862-F957 HydrophobicContact CG-CD1 4.09Å; L862-F957 HydrophobicContact CG-CE1 4.11Å; L862-T1126 HydrophobicContact CD1-CG2 3.83Å; L862-F1130 HydrophobicContact CD1-CE2 3.81Å; L862-Y1152 HydrophobicContact CB-CD1 4.25Å; L862-Y1152 CarbonylContact O-C 3.51Å; L862-Y1152 WeakPolarHBondContact O-CA 3.34Å; L862-Q1153 WeakPolarHBondContact CD2-O 3.29Å; L862-Q1153 PolarHBondContact O-N 3.09Å; L862-L1154 HydrophobicContact CD1-CD2 4.44Å |
| 863 | H | 91.7 | Very high | 89 | Confident | 3.5 Ų | 3.5 | 20.5 Ų | 20.5 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | trans | -70.3 | 144.6 | -179.1 | -166.7 | -94.3 | 0 | 0 | 0 | 111.3 | G803 A806 L860 L861 I865 V868 R869 | G803-H863 PolarHBondContact O-CD2 3.26Å; A806-H863 PolarHBondContact O-CE1 3.02Å; A806-H863 VanDerWaalsContact O-CE1 3.29Å; A806-H863 PolarHBondContact O-NE2 2.92Å; L860-H863 WeakPolarHBondContact O-CB 3.28Å; L860-H863 PolarHBondContact O-N 3.41Å; L861-H863 VanDerWaalsContact C-N 3.33Å; H863-I865 VanDerWaalsContact C-N 3.31Å; H863-I865 WeakPolarHBondContact ND1-CB 3.45Å; H863-I865 PolarHBondContact ND1-N 3.32Å; H863-I865 VanDerWaalsContact ND1-N 3.2Å; H863-I865 PolarHBondContact O-N 3.05Å; H863-V868 HydrophobicContact CB-CB 4.36Å; H863-V868 HydrophobicContact CB-CG1 3.84Å; H863-R869 HydrophobicContact CB-CG 4.43Å; H863-R869 VanDerWaalsContact O-CD 3.3Å; H863-R869 WeakPolarHBondContact O-CD 3.29Å; H863-R869 WeakPolarHBondContact O-CG 3.24Å; H863-R869 VanDerWaalsContact O-CZ 3.31Å; H863-R869 PolarHBondContact O-NE 2.96Å; H863-R869 PolarHBondContact O-NH1 3.1Å; H863-R869 VanDerWaalsContact O-NH1 3.07Å | ||
| 864 | P | 86.6 | Confident | 89 | Confident | 59.5 Ų | 59.5 | 22.7 Ų | 22.7 | 39% | 0.386 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -66.3 | -26.3 | -178 | 23.7 | -35.3 | 0 | 0 | 0 | 115.1 | R869 G1151 Q1153 | P864-R869 VanDerWaalsContact C-NH1 3.33Å; P864-R869 PolarHBondContact O-NH1 3.29Å; P864-G1151 VanDerWaalsContact CD-O 3.24Å; P864-G1151 WeakPolarHBondContact CD-O 3.32Å; P864-Q1153 HydrophobicContact CB-CG 4.28Å |
| 865 | I | 87.9 | Confident | 88.9 | Confident | 54.25 Ų | 54.25 | 22.9 Ų | 22.9 | 28% | 0.278 | 13% | 0.126 | S | C | . | . | trans | -87.5 | 125.3 | -177 | -58.2 | -178 | 0 | 0 | 0 | 110.7 | F807 H863 E867 V868 R869 | F807-I865 HydrophobicContact CB-CD1 3.6Å; F807-I865 HydrophobicContact CD1-CD1 4.46Å; F807-I865 HydrophobicContact CD2-CD1 3.78Å; F807-I865 HydrophobicContact CE2-CD1 4.39Å; F807-I865 HydrophobicContact CG-CD1 4.01Å; H863-I865 VanDerWaalsContact C-N 3.31Å; H863-I865 WeakPolarHBondContact ND1-CB 3.45Å; H863-I865 PolarHBondContact ND1-N 3.32Å; H863-I865 VanDerWaalsContact ND1-N 3.2Å; H863-I865 PolarHBondContact O-N 3.05Å; I865-E867 VanDerWaalsContact C-N 3.32Å; I865-E867 HydrophobicContact CG2-CB 4.26Å; I865-E867 WeakPolarHBondContact CG2-OE2 3.43Å; I865-E867 PolarHBondContact O-N 3.2Å; I865-V868 HydrophobicContact CB-CB 4.4Å; I865-V868 HydrophobicContact CB-CG2 4.06Å; I865-V868 HydrophobicContact CG2-CG2 4.08Å; I865-V868 PolarHBondContact O-N 2.98Å; I865-R869 VanDerWaalsContact C-NH1 3.3Å; I865-R869 PolarHBondContact O-N 3.02Å; I865-R869 PolarHBondContact O-NH1 3Å | ||
| 866 | N | 85.8 | Confident | 88.8 | Confident | 83.5 Ų | 83.5 | 22 Ų | 22 | 45% | 0.447 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | -175.1 | -89.2 | 5.6 | 0 | 0 | 0 | 113 | V868 R869 S870 Q950 | N866-V868 VanDerWaalsContact C-N 3.3Å; N866-V868 PolarHBondContact O-N 3.14Å; N866-R869 WeakPolarHBondContact O-CB 2.97Å; N866-R869 PolarHBondContact O-N 3.14Å; N866-R869 PolarHBondContact OD1-NH1 3.26Å; N866-R869 PolarHBondContact OD1-NH2 3.12Å; N866-S870 PolarHBondContact O-N 3.03Å; N866-S870 PolarHBondContact O-OG 3.26Å; N866-Q950 PolarHBondContact ND2-NE2 3.27Å; N866-Q950 VanDerWaalsContact ND2-NE2 3.14Å; N866-Q950 PolarHBondContact O-NE2 3.41Å; N866-Q950 PolarHBondContact OD1-NE2 2.83Å |
| 867 | E | 87.2 | Confident | 88.4 | Confident | 106 Ų | 106 | 22.1 Ų | 22.1 | 50% | 0.495 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | -178.8 | -64.7 | 72.4 | -159.6 | 0 | 0 | 111.1 | K808 I865 S870 E871 | K808-E867 HydrophobicContact CB-CB 4.05Å; K808-E867 HydrophobicContact CD-CB 4.13Å; I865-E867 VanDerWaalsContact C-N 3.32Å; I865-E867 HydrophobicContact CG2-CB 4.26Å; I865-E867 WeakPolarHBondContact CG2-OE2 3.43Å; I865-E867 PolarHBondContact O-N 3.2Å; E867-S870 VanDerWaalsContact C-OG 3.29Å; E867-S870 WeakPolarHBondContact CA-OG 3Å; E867-S870 PolarHBondContact O-N 3.25Å; E867-S870 PolarHBondContact O-OG 3.26Å; E867-E871 WeakPolarHBondContact O-CG 3.38Å; E867-E871 PolarHBondContact O-N 3.2Å; E867-E871 VanDerWaalsContact O-N 3.16Å |
| 868 | V | 89.6 | Confident | 87.9 | Confident | 0.5 Ų | 0.5 | 22.7 Ų | 22.7 | 0% | 0.003 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | A806 F807 L825 L860 H863 I865 N866 S870 E871 A872 | A806-V868 HydrophobicContact CB-CG1 4.26Å; A806-V868 WeakPolarHBondContact O-CG2 3.32Å; F807-V868 HydrophobicContact CB-CG2 4.09Å; L825-V868 HydrophobicContact CD1-CG1 3.88Å; L825-V868 HydrophobicContact CD1-CG2 4.48Å; L860-V868 HydrophobicContact CB-CG1 4.28Å; L860-V868 HydrophobicContact CD1-CG1 4.32Å; L860-V868 HydrophobicContact CD2-CG1 4.02Å; L860-V868 HydrophobicContact CG-CG1 4.43Å; H863-V868 HydrophobicContact CB-CB 4.36Å; H863-V868 HydrophobicContact CB-CG1 3.84Å; I865-V868 HydrophobicContact CB-CB 4.4Å; I865-V868 HydrophobicContact CB-CG2 4.06Å; I865-V868 HydrophobicContact CG2-CG2 4.08Å; I865-V868 PolarHBondContact O-N 2.98Å; N866-V868 VanDerWaalsContact C-N 3.3Å; N866-V868 PolarHBondContact O-N 3.14Å; V868-S870 VanDerWaalsContact C-N 3.3Å; V868-S870 PolarHBondContact O-N 3.12Å; V868-E871 PolarHBondContact O-N 2.93Å; V868-A872 PolarHBondContact O-N 3.15Å |
| 869 | R | 89.6 | Confident | 87.5 | Confident | 12.25 Ų | 12.25 | 22.7 Ų | 22.7 | 5% | 0.046 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 175.9 | -64.9 | -164.6 | -70.2 | -103.6 | 4.9 | 112 | L860 L861 H863 P864 I865 N866 E871 A872 A873 Q950 V954 N958 | L860-R869 WeakPolarHBondContact O-CG 3.47Å; L861-R869 WeakPolarHBondContact CD2-O 3.34Å; L861-R869 WeakPolarHBondContact O-CD 3.31Å; L861-R869 WeakPolarHBondContact O-CG 2.82Å; H863-R869 HydrophobicContact CB-CG 4.43Å; H863-R869 VanDerWaalsContact O-CD 3.3Å; H863-R869 WeakPolarHBondContact O-CD 3.29Å; H863-R869 WeakPolarHBondContact O-CG 3.24Å; H863-R869 VanDerWaalsContact O-CZ 3.31Å; H863-R869 PolarHBondContact O-NE 2.96Å; H863-R869 PolarHBondContact O-NH1 3.1Å; H863-R869 VanDerWaalsContact O-NH1 3.07Å; P864-R869 VanDerWaalsContact C-NH1 3.33Å; P864-R869 PolarHBondContact O-NH1 3.29Å; I865-R869 VanDerWaalsContact C-NH1 3.3Å; I865-R869 PolarHBondContact O-N 3.02Å; I865-R869 PolarHBondContact O-NH1 3Å; N866-R869 WeakPolarHBondContact O-CB 2.97Å; N866-R869 PolarHBondContact O-N 3.14Å; N866-R869 PolarHBondContact OD1-NH1 3.26Å; N866-R869 PolarHBondContact OD1-NH2 3.12Å; R869-E871 PolarHBondContact O-N 2.85Å; R869-A872 PolarHBondContact O-N 3.26Å; R869-A873 WeakPolarHBondContact O-CB 3.35Å; R869-A873 PolarHBondContact O-N 3.09Å; R869-Q950 HydrophobicContact CB-CG 3.96Å; R869-Q950 PolarHBondContact NE-O 3.15Å; R869-V954 HydrophobicContact CB-CG2 4.33Å; R869-V954 VanDerWaalsContact CD-CG2 3.47Å; R869-N958 VanDerWaalsContact CZ-OD1 3.24Å; R869-N958 PolarHBondContact NE-OD1 3.38Å; R869-N958 VanDerWaalsContact NE-OD1 3.1Å; R869-N958 PolarHBondContact NH1-OD1 3.48Å; R869-N958 PolarHBondContact NH2-OD1 3.21Å |
| 870 | S | 86.1 | Confident | 86.9 | Confident | 41 Ų | 41 | 22.7 Ų | 22.7 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.4 | 65 | 0 | 0 | 0 | 0 | 112.2 | N866 E867 V868 A873 V874 | N866-S870 PolarHBondContact O-N 3.03Å; N866-S870 PolarHBondContact O-OG 3.26Å; E867-S870 VanDerWaalsContact C-OG 3.29Å; E867-S870 WeakPolarHBondContact CA-OG 3Å; E867-S870 PolarHBondContact O-N 3.25Å; E867-S870 PolarHBondContact O-OG 3.26Å; V868-S870 VanDerWaalsContact C-N 3.3Å; V868-S870 PolarHBondContact O-N 3.12Å; S870-A873 PolarHBondContact O-N 3.33Å; S870-V874 VanDerWaalsContact O-CG2 3.29Å; S870-V874 WeakPolarHBondContact O-CG2 3.35Å; S870-V874 PolarHBondContact O-N 3.12Å |
| 871 | E | 87.7 | Confident | 86.1 | Confident | 32.5 Ų | 32.5 | 25.3 Ų | 25.3 | 15% | 0.152 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 176.7 | -70.3 | -74.9 | 155.8 | 0 | 0 | 112 | K808 L825 L829 R831 E867 V868 R869 A873 V874 A875 | K808-E871 HydrophobicContact CD-CG 3.91Å; K808-E871 VanDerWaalsContact CE-OE1 3.27Å; K808-E871 WeakPolarHBondContact CE-OE1 3.37Å; K808-E871 IonicContact NZ-OE1 3.36Å; K808-E871 PolarHBondContact NZ-OE1 3.14Å; L825-E871 HydrophobicContact CD2-CG 4.46Å; L829-E871 HydrophobicContact CD1-CB 3.96Å; L829-E871 HydrophobicContact CD2-CB 4.46Å; R831-E871 IonicContact CZ-OE2 3.17Å; R831-E871 IonicContact NH1-OE2 3.31Å; R831-E871 IonicContact NH2-OE2 3.52Å; R831-E871 PolarHBondContact NH2-OE2 3.1Å; E867-E871 WeakPolarHBondContact O-CG 3.38Å; E867-E871 PolarHBondContact O-N 3.2Å; E867-E871 VanDerWaalsContact O-N 3.16Å; V868-E871 PolarHBondContact O-N 2.93Å; R869-E871 PolarHBondContact O-N 2.85Å; E871-A873 VanDerWaalsContact C-N 3.34Å; E871-V874 WeakPolarHBondContact O-CB 3.38Å; E871-V874 PolarHBondContact O-N 3.14Å; E871-A875 PolarHBondContact O-N 3.11Å |
| 872 | A | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L829 L860 L861 V868 R869 V874 A875 I876 | L829-A872 HydrophobicContact CD2-CB 4.23Å; L860-A872 HydrophobicContact CB-CB 3.57Å; L860-A872 HydrophobicContact CD1-CB 4.37Å; L861-A872 HydrophobicContact CD2-CB 4.1Å; L861-A872 HydrophobicContact CG-CB 4.38Å; V868-A872 PolarHBondContact O-N 3.15Å; R869-A872 PolarHBondContact O-N 3.26Å; A872-V874 VanDerWaalsContact C-N 3.34Å; A872-V874 PolarHBondContact O-N 3.18Å; A872-A875 PolarHBondContact O-N 3.11Å; A872-I876 WeakPolarHBondContact O-CB 3.39Å; A872-I876 WeakPolarHBondContact O-CD1 3.44Å; A872-I876 VanDerWaalsContact O-CG1 3.23Å; A872-I876 WeakPolarHBondContact O-CG1 3.37Å; A872-I876 PolarHBondContact O-N 3.31Å |
| 873 | A | 87.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L861 R869 S870 E871 I876 S877 S946 L949 Q950 L953 V954 | L861-A873 HydrophobicContact CD2-CB 4.02Å; R869-A873 WeakPolarHBondContact O-CB 3.35Å; R869-A873 PolarHBondContact O-N 3.09Å; S870-A873 PolarHBondContact O-N 3.33Å; E871-A873 VanDerWaalsContact C-N 3.34Å; A873-I876 PolarHBondContact O-N 3.2Å; A873-S877 PolarHBondContact O-N 3.09Å; A873-S946 VanDerWaalsContact CB-O 3.29Å; A873-S946 WeakPolarHBondContact CB-O 3.41Å; A873-L949 HydrophobicContact CB-CB 3.79Å; A873-Q950 HydrophobicContact CB-CB 4.32Å; A873-Q950 HydrophobicContact CB-CG 4.25Å; A873-L953 HydrophobicContact CB-CB 4.06Å; A873-L953 HydrophobicContact CB-CD1 4.08Å; A873-V954 HydrophobicContact CB-CG2 4.15Å |
| 874 | V | 85.1 | Confident | 84 | Confident | 49.25 Ų | 49.25 | 28.9 Ų | 28.9 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 172.6 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | S870 E871 A872 I876 S877 C878 Q950 | S870-V874 VanDerWaalsContact O-CG2 3.29Å; S870-V874 WeakPolarHBondContact O-CG2 3.35Å; S870-V874 PolarHBondContact O-N 3.12Å; E871-V874 WeakPolarHBondContact O-CB 3.38Å; E871-V874 PolarHBondContact O-N 3.14Å; A872-V874 VanDerWaalsContact C-N 3.34Å; A872-V874 PolarHBondContact O-N 3.18Å; V874-I876 VanDerWaalsContact C-N 3.33Å; V874-I876 PolarHBondContact O-N 3.1Å; V874-S877 VanDerWaalsContact O-CB 3.27Å; V874-S877 WeakPolarHBondContact O-CB 3.36Å; V874-S877 PolarHBondContact O-N 3.32Å; V874-S877 VanDerWaalsContact O-N 3.14Å; V874-C878 PolarHBondContact O-N 3.19Å; V874-C878 PolarHBondContact O-SG 3.03Å; V874-C878 VanDerWaalsContact O-SG 3.38Å; V874-Q950 VanDerWaalsContact CG2-CD 3.43Å; V874-Q950 HydrophobicContact CG2-CG 3.95Å |
| 875 | A | 86 | Confident | 83 | Confident | 5.5 Ų | 5.5 | 33.1 Ų | 33.1 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L829 I840 E871 A872 S877 C878 C879 | L829-A875 HydrophobicContact CB-CB 4.49Å; L829-A875 HydrophobicContact CD2-CB 3.83Å; I840-A875 HydrophobicContact CD1-CB 3.68Å; E871-A875 PolarHBondContact O-N 3.11Å; A872-A875 PolarHBondContact O-N 3.11Å; A875-S877 VanDerWaalsContact C-N 3.34Å; A875-S877 PolarHBondContact O-N 3.2Å; A875-C878 WeakPolarHBondContact O-CB 3.41Å; A875-C878 PolarHBondContact O-N 3.09Å; A875-C879 PolarHBondContact O-N 3.14Å; A875-C879 PolarHBondContact O-SG 3.23Å |
| 876 | I | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.1 | -44.3 | 174.8 | -70.3 | 164.9 | 0 | 0 | 0 | 110.7 | L854 C857 L861 A872 A873 V874 C878 C879 L880 L949 L953 I1105 | L854-I876 HydrophobicContact CD1-CB 4.34Å; L854-I876 HydrophobicContact CD1-CG1 3.99Å; L854-I876 HydrophobicContact CD1-CG2 4.03Å; C857-I876 HydrophobicContact CB-CD1 3.93Å; C857-I876 HydrophobicContact CB-CG1 3.56Å; L861-I876 HydrophobicContact CD1-CD1 3.32Å; L861-I876 HydrophobicContact CD2-CD1 4.2Å; L861-I876 HydrophobicContact CG-CD1 3.64Å; A872-I876 WeakPolarHBondContact O-CB 3.39Å; A872-I876 WeakPolarHBondContact O-CD1 3.44Å; A872-I876 VanDerWaalsContact O-CG1 3.23Å; A872-I876 WeakPolarHBondContact O-CG1 3.37Å; A872-I876 PolarHBondContact O-N 3.31Å; A873-I876 PolarHBondContact O-N 3.2Å; V874-I876 VanDerWaalsContact C-N 3.33Å; V874-I876 PolarHBondContact O-N 3.1Å; I876-C878 VanDerWaalsContact C-N 3.31Å; I876-C878 PolarHBondContact O-N 3.21Å; I876-C879 PolarHBondContact O-N 3.28Å; I876-C879 VanDerWaalsContact O-N 3.14Å; I876-L880 HydrophobicContact CG2-CD1 3.98Å; I876-L880 HydrophobicContact CG2-CG 4.24Å; I876-L880 WeakPolarHBondContact O-CB 3.38Å; I876-L880 VanDerWaalsContact O-CG 3.3Å; I876-L880 WeakPolarHBondContact O-CG 3.37Å; I876-L880 PolarHBondContact O-N 2.99Å; I876-L949 HydrophobicContact CB-CD1 4.47Å; I876-L949 HydrophobicContact CG2-CD1 4Å; I876-L953 HydrophobicContact CB-CD1 4.26Å; I876-L953 HydrophobicContact CD1-CD1 4.46Å; I876-L953 HydrophobicContact CG2-CD1 3.9Å; I876-I1105 HydrophobicContact CG2-CD1 4.4Å; I876-I1105 HydrophobicContact CG2-CG2 4.08Å |
| 877 | S | 82.6 | Confident | 79.6 | Confident | 4.5 Ų | 4.5 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.9 | -47.1 | 175.7 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | A873 V874 A875 L880 Q881 S946 | A873-S877 PolarHBondContact O-N 3.09Å; V874-S877 VanDerWaalsContact O-CB 3.27Å; V874-S877 WeakPolarHBondContact O-CB 3.36Å; V874-S877 PolarHBondContact O-N 3.32Å; V874-S877 VanDerWaalsContact O-N 3.14Å; A875-S877 VanDerWaalsContact C-N 3.34Å; A875-S877 PolarHBondContact O-N 3.2Å; S877-L880 PolarHBondContact O-N 3.07Å; S877-Q881 VanDerWaalsContact O-CG 3.29Å; S877-Q881 WeakPolarHBondContact O-CG 3.35Å; S877-Q881 PolarHBondContact O-N 2.93Å; S877-S946 WeakPolarHBondContact CB-OG 3.22Å; S877-S946 PolarHBondContact OG-OG 3.15Å |
| 878 | C | 80.4 | Confident | 77.6 | Confident | 13.75 Ų | 13.75 | 35.3 Ų | 35.3 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 175.5 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | I840 V874 A875 I876 L880 Q881 F882 | I840-C878 HydrophobicContact CG2-CB 4.4Å; V874-C878 PolarHBondContact O-N 3.19Å; V874-C878 PolarHBondContact O-SG 3.03Å; V874-C878 VanDerWaalsContact O-SG 3.38Å; A875-C878 WeakPolarHBondContact O-CB 3.41Å; A875-C878 PolarHBondContact O-N 3.09Å; I876-C878 VanDerWaalsContact C-N 3.31Å; I876-C878 PolarHBondContact O-N 3.21Å; C878-L880 VanDerWaalsContact C-N 3.32Å; C878-L880 PolarHBondContact O-N 2.98Å; C878-Q881 WeakPolarHBondContact O-CB 3.35Å; C878-Q881 PolarHBondContact O-N 3.14Å; C878-Q881 VanDerWaalsContact O-N 3.17Å; C878-F882 VanDerWaalsContact O-CD2 3.24Å; C878-F882 WeakPolarHBondContact O-CD2 3.35Å; C878-F882 PolarHBondContact O-N 3.1Å |
| 879 | C | 81.6 | Confident | 75.2 | Confident | 0.75 Ų | 0.75 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 179.5 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | L850 L854 A875 I876 F882 H883 | L850-C879 HydrophobicContact CD1-CB 3.9Å; L850-C879 HydrophobicContact CG-CB 4.43Å; L854-C879 HydrophobicContact CD1-CB 4.11Å; A875-C879 PolarHBondContact O-N 3.14Å; A875-C879 PolarHBondContact O-SG 3.23Å; I876-C879 PolarHBondContact O-N 3.28Å; I876-C879 VanDerWaalsContact O-N 3.14Å; C879-F882 WeakPolarHBondContact O-CB 3.45Å; C879-F882 PolarHBondContact O-N 3.14Å; C879-H883 WeakPolarHBondContact O-CB 3.3Å; C879-H883 PolarHBondContact O-N 3.05Å |
| 880 | L | 79.8 | Confident | 72.3 | Confident | 2.5 Ų | 2.5 | 52.6 Ų | 52.6 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.4 | -71.2 | 179 | 0 | 0 | 0 | 111.9 | I876 S877 C878 F882 H883 W884 L949 C1102 I1105 | I876-L880 HydrophobicContact CG2-CD1 3.98Å; I876-L880 HydrophobicContact CG2-CG 4.24Å; I876-L880 WeakPolarHBondContact O-CB 3.38Å; I876-L880 VanDerWaalsContact O-CG 3.3Å; I876-L880 WeakPolarHBondContact O-CG 3.37Å; I876-L880 PolarHBondContact O-N 2.99Å; S877-L880 PolarHBondContact O-N 3.07Å; C878-L880 VanDerWaalsContact C-N 3.32Å; C878-L880 PolarHBondContact O-N 2.98Å; L880-F882 VanDerWaalsContact C-N 3.34Å; L880-F882 PolarHBondContact O-N 3.37Å; L880-H883 WeakPolarHBondContact O-CB 3.28Å; L880-H883 PolarHBondContact O-N 3.19Å; L880-W884 HydrophobicContact CB-CE3 4.12Å; L880-W884 HydrophobicContact CB-CH2 4.17Å; L880-W884 HydrophobicContact CB-CZ3 3.63Å; L880-W884 HydrophobicContact CD1-CH2 4.27Å; L880-W884 HydrophobicContact CD1-CZ3 4.28Å; L880-W884 HydrophobicContact CD2-CH2 3.74Å; L880-W884 HydrophobicContact CD2-CZ2 4.3Å; L880-W884 HydrophobicContact CD2-CZ3 4.11Å; L880-W884 HydrophobicContact CG-CH2 4.27Å; L880-W884 HydrophobicContact CG-CZ3 4.21Å; L880-W884 VanDerWaalsContact O-CE3 3.23Å; L880-W884 PolarHBondContact O-N 2.99Å; L880-W884 VanDerWaalsContact O-N 3.11Å; L880-L949 HydrophobicContact CD1-CD1 4.25Å; L880-C1102 HydrophobicContact CD2-CB 3.81Å; L880-I1105 HydrophobicContact CD1-CG2 3.9Å |
| 881 | Q | 75.1 | Confident | 69.9 | Low | 54.25 Ų | 54.25 | 55.9 Ų | 55.9 | 25% | 0.254 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174 | -71.8 | 172.2 | 11.2 | 0 | 0 | 111.5 | S877 C878 H883 W884 R885 F940 | S877-Q881 VanDerWaalsContact O-CG 3.29Å; S877-Q881 WeakPolarHBondContact O-CG 3.35Å; S877-Q881 PolarHBondContact O-N 2.93Å; C878-Q881 WeakPolarHBondContact O-CB 3.35Å; C878-Q881 PolarHBondContact O-N 3.14Å; C878-Q881 VanDerWaalsContact O-N 3.17Å; Q881-H883 VanDerWaalsContact C-N 3.33Å; Q881-H883 PolarHBondContact O-N 3.48Å; Q881-W884 PolarHBondContact O-N 3.27Å; Q881-R885 WeakPolarHBondContact O-CB 3.41Å; Q881-R885 PolarHBondContact O-N 3.1Å; Q881-F940 HydrophobicContact CG-CB 4.22Å; Q881-F940 HydrophobicContact CG-CD1 4.44Å; Q881-F940 HydrophobicContact CG-CD2 3.93Å; Q881-F940 HydrophobicContact CG-CE2 4.37Å; Q881-F940 HydrophobicContact CG-CG 3.99Å |
| 882 | F | 75.9 | Confident | 67.1 | Low | 48.5 Ų | 48.5 | 61.3 Ų | 61.3 | 21% | 0.213 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.8 | -88 | -70.2 | 0 | 0 | 0 | 112.3 | I840 L850 C878 C879 L880 W884 R885 | I840-F882 HydrophobicContact CG2-CD2 4.19Å; I840-F882 HydrophobicContact CG2-CE2 4.01Å; I840-F882 VanDerWaalsContact O-CE2 3.28Å; I840-F882 WeakPolarHBondContact O-CE2 3.25Å; I840-F882 WeakPolarHBondContact O-CZ 3.39Å; L850-F882 HydrophobicContact CD1-CB 4.09Å; L850-F882 HydrophobicContact CD2-CB 4.46Å; C878-F882 VanDerWaalsContact O-CD2 3.24Å; C878-F882 WeakPolarHBondContact O-CD2 3.35Å; C878-F882 PolarHBondContact O-N 3.1Å; C879-F882 WeakPolarHBondContact O-CB 3.45Å; C879-F882 PolarHBondContact O-N 3.14Å; L880-F882 VanDerWaalsContact C-N 3.34Å; L880-F882 PolarHBondContact O-N 3.37Å; F882-W884 PolarHBondContact O-N 3.06Å; F882-R885 PolarHBondContact O-N 2.94Å |
| 883 | H | 77.9 | Confident | 64.3 | Low | 29.5 Ų | 29.5 | 66.8 Ų | 66.8 | 14% | 0.137 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 180 | -176.8 | -23 | 0 | 0 | 0 | 112.4 | L850 C879 L880 Q881 P887 D1099 C1102 | L850-H883 HydrophobicContact CD2-CB 4.18Å; C879-H883 WeakPolarHBondContact O-CB 3.3Å; C879-H883 PolarHBondContact O-N 3.05Å; L880-H883 WeakPolarHBondContact O-CB 3.28Å; L880-H883 PolarHBondContact O-N 3.19Å; Q881-H883 VanDerWaalsContact C-N 3.33Å; Q881-H883 PolarHBondContact O-N 3.48Å; H883-P887 VanDerWaalsContact O-CD 3.26Å; H883-P887 WeakPolarHBondContact O-CD 3.37Å; H883-D1099 IonicContact CE1-OD1 3.19Å; H883-D1099 PolarHBondContact CE1-OD1 3.39Å; H883-D1099 VanDerWaalsContact CE1-OD1 3.29Å; H883-D1099 IonicContact ND1-OD1 2.86Å; H883-D1099 IonicContact NE2-OD1 3.01Å; H883-D1099 PolarHBondContact NE2-OD1 3.04Å; H883-C1102 PolarHBondContact CD2-SG 2.93Å |
| 884 | W | 73.3 | Confident | 61.6 | Low | 9 Ų | 9 | 72.2 Ų | 72.2 | 3% | 0.034 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -89.8 | -6.1 | -177.4 | -63.9 | -52.2 | 0 | 0 | 0 | 115.2 | L880 Q881 F882 N886 P887 L888 L1045 F1059 C1102 Y1106 | L880-W884 HydrophobicContact CB-CE3 4.12Å; L880-W884 HydrophobicContact CB-CH2 4.17Å; L880-W884 HydrophobicContact CB-CZ3 3.63Å; L880-W884 HydrophobicContact CD1-CH2 4.27Å; L880-W884 HydrophobicContact CD1-CZ3 4.28Å; L880-W884 HydrophobicContact CD2-CH2 3.74Å; L880-W884 HydrophobicContact CD2-CZ2 4.3Å; L880-W884 HydrophobicContact CD2-CZ3 4.11Å; L880-W884 HydrophobicContact CG-CH2 4.27Å; L880-W884 HydrophobicContact CG-CZ3 4.21Å; L880-W884 VanDerWaalsContact O-CE3 3.23Å; L880-W884 PolarHBondContact O-N 2.99Å; L880-W884 VanDerWaalsContact O-N 3.11Å; Q881-W884 PolarHBondContact O-N 3.27Å; F882-W884 PolarHBondContact O-N 3.06Å; W884-N886 VanDerWaalsContact C-N 3.28Å; W884-N886 PolarHBondContact O-N 2.91Å; W884-P887 HydrophobicContact CB-CG 4.46Å; W884-P887 VanDerWaalsContact O-CD 3.23Å; W884-P887 WeakPolarHBondContact O-CD 3.39Å; W884-P887 WeakPolarHBondContact O-CG 3.49Å; W884-L888 WeakPolarHBondContact O-CD1 3.28Å; W884-L888 WeakPolarHBondContact O-CG 3.07Å; W884-L888 PolarHBondContact O-N 2.71Å; W884-L1045 HydrophobicContact CB-CD1 4.35Å; W884-L1045 HydrophobicContact CB-CD2 4.28Å; W884-L1045 HydrophobicContact CD2-CD1 3.76Å; W884-L1045 HydrophobicContact CD2-CD2 4.44Å; W884-L1045 HydrophobicContact CE3-CD1 4.09Å; W884-L1045 HydrophobicContact CG-CD1 3.74Å; W884-L1045 HydrophobicContact CG-CD2 3.96Å; W884-L1045 HydrophobicContact CZ2-CD1 4.35Å; W884-L1045 HydrophobicContact CZ3-CD1 4.4Å; W884-F1059 HydrophobicContact CZ3-CZ 4.37Å; W884-C1102 HydrophobicContact CZ2-CB 4.27Å; W884-Y1106 AromaticContact CH2-CD2 3.8Å; W884-Y1106 HydrophobicContact CH2-CD2 3.8Å; W884-Y1106 HydrophobicContact CH2-CE2 4.47Å; W884-Y1106 AromaticContact CH2-CG 3.82Å; W884-Y1106 HydrophobicContact CH2-CG 3.93Å; W884-Y1106 HydrophobicContact CZ2-CD2 4.23Å; W884-Y1106 HydrophobicContact CZ2-CG 4.2Å; W884-Y1106 HydrophobicContact CZ3-CD2 4.3Å |
| 885 | R | 66 | Low | 59 | Low | 148 Ų | 148 | 77.7 Ų | 77.7 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.3 | -33.9 | 176.3 | -165.7 | 173.4 | -179.6 | 173.6 | -0.4 | 113 | Q881 F882 | Q881-R885 WeakPolarHBondContact O-CB 3.41Å; Q881-R885 PolarHBondContact O-N 3.1Å; F882-R885 PolarHBondContact O-N 2.94Å |
| 886 | N | 53.6 | Low | 56.3 | Low | 132.25 Ų | 132.25 | 84.8 Ų | 84.8 | 71% | 0.707 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -46 | -177.6 | -78.1 | -24.5 | 0 | 0 | 0 | 115.4 | W884 L888 Y889 | W884-N886 VanDerWaalsContact C-N 3.28Å; W884-N886 PolarHBondContact O-N 2.91Å; N886-L888 VanDerWaalsContact C-N 3.26Å; N886-L888 PolarHBondContact O-N 2.92Å; N886-Y889 PolarHBondContact O-N 2.99Å |
| 887 | P | 48.8 | Very low | 53.5 | Low | 79.25 Ų | 79.25 | 91.9 Ų | 91.9 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -65.6 | -23.6 | -179.3 | 20.4 | -31 | 0 | 0 | 0 | 114.3 | H883 W884 Y889 | H883-P887 VanDerWaalsContact O-CD 3.26Å; H883-P887 WeakPolarHBondContact O-CD 3.37Å; W884-P887 HydrophobicContact CB-CG 4.46Å; W884-P887 VanDerWaalsContact O-CD 3.23Å; W884-P887 WeakPolarHBondContact O-CD 3.39Å; W884-P887 WeakPolarHBondContact O-CG 3.49Å; P887-Y889 VanDerWaalsContact C-N 3.28Å; P887-Y889 PolarHBondContact O-N 3.17Å |
| 888 | L | 46.7 | Very low | 50.8 | Low | 77.75 Ų | 77.75 | 100.3 Ų | 100.3 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -71.2 | -12.5 | 177.1 | -71.5 | 166.4 | 0 | 0 | 0 | 114 | W884 N886 F940 L1045 I1049 M1056 | W884-L888 WeakPolarHBondContact O-CD1 3.28Å; W884-L888 WeakPolarHBondContact O-CG 3.07Å; W884-L888 PolarHBondContact O-N 2.71Å; N886-L888 VanDerWaalsContact C-N 3.26Å; N886-L888 PolarHBondContact O-N 2.92Å; L888-F940 HydrophobicContact CD1-CE2 4.23Å; L888-F940 HydrophobicContact CD1-CZ 4.23Å; L888-L1045 HydrophobicContact CD2-CD2 4.29Å; L888-I1049 HydrophobicContact CD1-CD1 4.14Å; L888-I1049 HydrophobicContact CD2-CD1 3.54Å; L888-I1049 VanDerWaalsContact CD2-CD1 3.48Å; L888-I1049 HydrophobicContact CD2-CG1 4.43Å; L888-I1049 HydrophobicContact CG-CD1 4.38Å; L888-M1056 HydrophobicContact CD1-CE 4.29Å; L888-M1056 HydrophobicContact CD2-CE 4.44Å |
| 889 | Y | 37.6 | Very low | 48.3 | Very low | 161 Ų | 161 | 108.1 Ų | 108.1 | 63% | 0.631 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -98.9 | 33 | -179.5 | -96.9 | -85.7 | 0 | 0 | 0 | 113.8 | N886 P887 P891 | N886-Y889 PolarHBondContact O-N 2.99Å; P887-Y889 VanDerWaalsContact C-N 3.28Å; P887-Y889 PolarHBondContact O-N 3.17Å; Y889-P891 VanDerWaalsContact C-CD 3.41Å; Y889-P891 VanDerWaalsContact O-CD 3.27Å; Y889-P891 WeakPolarHBondContact O-CD 3.34Å; Y889-P891 VanDerWaalsContact O-N 3.1Å |
| 890 | R | 30.3 | Very low | 45.7 | Very low | 214.5 Ų | 214.5 | 114.8 Ų | 114.8 | 81% | 0.809 | 58% | 0.577 | S | S | * | * | trans | -89.1 | 100.7 | 165.4 | -171.5 | 179.9 | -93.9 | -175.6 | -4.4 | 108.8 | N892 | R890-N892 PolarHBondContact O-N 3.13Å; R890-N892 VanDerWaalsContact O-N 3.14Å | ||
| 891 | P | 33.7 | Very low | 43.1 | Very low | 110.5 Ų | 110.5 | 123 Ų | 123 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | -70.2 | 120 | 171.3 | 21.7 | -18.3 | 0 | 0 | 0 | 107.4 | Y889 P893 | Y889-P891 VanDerWaalsContact C-CD 3.41Å; Y889-P891 VanDerWaalsContact O-CD 3.27Å; Y889-P891 WeakPolarHBondContact O-CD 3.34Å; Y889-P891 VanDerWaalsContact O-N 3.1Å; P891-P893 VanDerWaalsContact O-CD 3.25Å; P891-P893 WeakPolarHBondContact O-CD 3.23Å; P891-P893 VanDerWaalsContact O-N 3.11Å | ||
| 892 | N | 30.5 | Very low | 40.8 | Very low | 145.75 Ų | 145.75 | 127.3 Ų | 127.3 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | trans | -50.9 | 114.3 | 170.9 | -77 | -28.7 | 0 | 0 | 0 | 109.2 | R890 T894 | R890-N892 PolarHBondContact O-N 3.13Å; R890-N892 VanDerWaalsContact O-N 3.14Å; N892-T894 HydrophobicContact CB-CG2 4.36Å; N892-T894 PolarHBondContact O-N 3.09Å | ||
| 893 | P | 31.1 | Very low | 38.4 | Very low | 116.5 Ų | 116.5 | 132 Ų | 132 | 76% | 0.756 | 67% | 0.669 | S | S | * | * | trans | -79 | 93.5 | 170.4 | 30.6 | -24.5 | 0 | 0 | 0 | 106.4 | P891 I895 | P891-P893 VanDerWaalsContact O-CD 3.25Å; P891-P893 WeakPolarHBondContact O-CD 3.23Å; P891-P893 VanDerWaalsContact O-N 3.11Å; P893-I895 PolarHBondContact O-N 3.04Å | ||
| 894 | T | 30.2 | Very low | 36 | Very low | 113.75 Ų | 113.75 | 137 Ų | 137 | 70% | 0.698 | 70% | 0.701 | S | S | * | * | trans | -38.7 | 105.8 | 163.1 | 40.4 | 0 | 0 | 0 | 0 | 111.2 | N892 L896 | N892-T894 HydrophobicContact CB-CG2 4.36Å; N892-T894 PolarHBondContact O-N 3.09Å; T894-L896 VanDerWaalsContact C-N 3.28Å; T894-L896 PolarHBondContact O-N 3.27Å | ||
| 895 | I | 32 | Very low | 33.6 | Very low | 163.75 Ų | 163.75 | 141.3 Ų | 141.3 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | -52.8 | 82.6 | 141.6 | -59.6 | 160.8 | 0 | 0 | 0 | 107.6 | P893 | P893-I895 PolarHBondContact O-N 3.04Š| ||
| 896 | L | 27.4 | Very low | 31.6 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -121.4 | 104.3 | 159.6 | -119 | 144.4 | 0 | 0 | 0 | 106 | T894 E898 | T894-L896 VanDerWaalsContact C-N 3.28Å; T894-L896 PolarHBondContact O-N 3.27Å; L896-E898 PolarHBondContact O-N 3.18Å | ||
| 897 | N | 29.7 | Very low | 30.4 | Very low | 148.25 Ų | 148.25 | 138.1 Ų | 138.1 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 102.1 | 170.8 | -79.6 | -24.9 | 0 | 0 | 0 | 110.1 | Q899 | N897-Q899 PolarHBondContact O-N 3.16Š| ||
| 898 | E | 25.6 | Very low | 29.2 | Very low | 182.5 Ų | 182.5 | 142.8 Ų | 142.8 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -89.9 | 82.3 | 153.6 | -71.7 | -172.8 | 158.7 | 0 | 0 | 111 | L896 | L896-E898 PolarHBondContact O-N 3.18Š| ||
| 899 | Q | 27.5 | Very low | 28.2 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -101.3 | 112.9 | 144.6 | -73.4 | -169.6 | -12.9 | 0 | 0 | 108.2 | N897 | N897-Q899 PolarHBondContact O-N 3.16Š| ||
| 900 | N | 27.4 | Very low | 27.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | 92.3 | 97.9 | 156.4 | -60.4 | -28.1 | 0 | 0 | 0 | 114.1 | ||||
| 901 | M | 25.9 | Very low | 27.2 | Very low | 174.75 Ų | 174.75 | 142.3 Ų | 142.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | 163.6 | 119.6 | 106 | -82.7 | -63.4 | -173.6 | 0 | 0 | 110.8 | N903 | M901-N903 PolarHBondContact O-N 3.4Š| |||
| 902 | N | 25.3 | Very low | 26.7 | Very low | 143.5 Ų | 143.5 | 148.4 Ų | 148.4 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -81.4 | 136 | 150.1 | -72.5 | -31.1 | 0 | 0 | 0 | 110.3 | ||||
| 903 | N | 26.3 | Very low | 26.3 | Very low | 148.25 Ų | 148.25 | 147.5 Ų | 147.5 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | 103.2 | 112.2 | 147.1 | -60.4 | -20.5 | 0 | 0 | 0 | 115.8 | M901 | M901-N903 PolarHBondContact O-N 3.4Š| ||
| 904 | V | 26.9 | Very low | 26.1 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | 124.1 | 97.8 | 123.2 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 905 | S | 23.4 | Very low | 25.8 | Very low | 99.25 Ų | 99.25 | 148.5 Ų | 148.5 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | trans | 6.1 | 134.3 | 141.6 | 30.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 906 | S | 25 | Very low | 25.4 | Very low | 112.25 Ų | 112.25 | 149 Ų | 149 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | 96.7 | 114 | 126.3 | 64.3 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 907 | A | 26.9 | Very low | 25.2 | Very low | 101.5 Ų | 101.5 | 147.6 Ų | 147.6 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | 126 | 83.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 908 | L | 24.8 | Very low | 25 | Very low | 177.5 Ų | 177.5 | 144.3 Ų | 144.3 | 93% | 0.929 | 81% | 0.812 | S | S | * | * | trans | -109.6 | 90.7 | 155.4 | -164.8 | 78.6 | 0 | 0 | 0 | 108.6 | ||||
| 909 | H | 24 | Very low | 25 | Very low | 165.75 Ų | 165.75 | 143.2 Ų | 143.2 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | trans | -133 | 127.6 | 158.5 | -136.8 | -73.8 | 0 | 0 | 0 | 107.2 | ||||
| 910 | N | 26.1 | Very low | 24.8 | Very low | 144.5 Ų | 144.5 | 143.3 Ų | 143.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 154.2 | 77.2 | 146.1 | -74.3 | -17.9 | 0 | 0 | 0 | 111.6 | R912 | N910-R912 PolarHBondContact O-N 3.35Å; N910-R912 VanDerWaalsContact O-N 3.14Å | ||
| 911 | C | 22 | Very low | 24.7 | Very low | 132.75 Ų | 132.75 | 142.9 Ų | 142.9 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -60.8 | 115.4 | 149.4 | -84.3 | 0 | 0 | 0 | 0 | 108.7 | V913 | C911-V913 HydrophobicContact CB-CG2 4.26Å; C911-V913 PolarHBondContact O-N 3.34Å | ||
| 912 | R | 22.5 | Very low | 24.6 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -100.9 | 111.5 | 169.4 | -132.6 | 178.5 | -177.3 | 176.6 | 0.2 | 108.5 | N910 V914 | N910-R912 PolarHBondContact O-N 3.35Å; N910-R912 VanDerWaalsContact O-N 3.14Å; R912-V914 PolarHBondContact O-N 2.85Å | ||
| 913 | V | 23.5 | Very low | 24.7 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -72.3 | 125.4 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | C911 T915 | C911-V913 HydrophobicContact CB-CG2 4.26Å; C911-V913 PolarHBondContact O-N 3.34Å; V913-T915 HydrophobicContact CG1-CG2 4.42Å | ||
| 914 | V | 25.1 | Very low | 24.5 | Very low | 126.25 Ų | 126.25 | 142.1 Ų | 142.1 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -39.8 | 115.4 | 155.4 | -177.5 | 0 | 0 | 0 | 0 | 113.2 | R912 | R912-V914 PolarHBondContact O-N 2.85Š| ||
| 915 | T | 25.7 | Very low | 24.4 | Very low | 125.5 Ų | 125.5 | 141.8 Ų | 141.8 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | -106.2 | 124.9 | 157.3 | 38.8 | 0 | 0 | 0 | 0 | 109.1 | V913 | V913-T915 HydrophobicContact CG1-CG2 4.42Š| ||
| 916 | E | 22.8 | Very low | 24.4 | Very low | 174.5 Ų | 174.5 | 141.8 Ų | 141.8 | 82% | 0.815 | 82% | 0.818 | S | S | * | * | trans | 32.2 | 133.6 | 138 | -66.4 | 179.4 | 162.9 | 0 | 0 | 118.3 | ||||
| 917 | S | 23.9 | Very low | 24.4 | Very low | 125.75 Ų | 125.75 | 144.9 Ų | 144.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | 97.5 | 122.5 | 141 | 68.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 918 | G | 24.4 | Very low | 24.4 | Very low | 78.5 Ų | 78.5 | 149.4 Ų | 149.4 | 81% | 0.809 | 82% | 0.82 | S | S | * | * | trans | 144.5 | 107 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 919 | I | 24.7 | Very low | 24.4 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 137.5 | 166.2 | -70.5 | 161.2 | 0 | 0 | 0 | 112.3 | V921 | I919-V921 HydrophobicContact CG2-CG2 4.22Š| ||
| 920 | Q | 23.9 | Very low | 24.6 | Very low | 178.75 Ų | 178.75 | 147.4 Ų | 147.4 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 14.9 | 116.9 | 154.3 | -81.8 | 169.4 | -25.8 | 0 | 0 | 116.4 | ||||
| 921 | V | 25.7 | Very low | 24.7 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -127.1 | 130.9 | 135 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | I919 | I919-V921 HydrophobicContact CG2-CG2 4.22Š| ||
| 922 | D | 24.8 | Very low | 24.9 | Very low | 149.75 Ų | 149.75 | 152.5 Ų | 152.5 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -76.6 | 133 | 175.7 | -65.9 | -50.2 | 0 | 0 | 0 | 113.7 | ||||
| 923 | S | 25.4 | Very low | 25.3 | Very low | 111.75 Ų | 111.75 | 146.7 Ų | 146.7 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -146.5 | 107 | 139.7 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | C925 | S923-C925 PolarHBondContact O-N 2.92Š| ||
| 924 | E | 24.2 | Very low | 25.6 | Very low | 187.5 Ų | 187.5 | 146.5 Ų | 146.5 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 111.5 | 157.8 | -67.6 | -179.2 | 160.8 | 0 | 0 | 112.6 | ||||
| 925 | C | 23 | Very low | 25.7 | Very low | 126.75 Ų | 126.75 | 146.3 Ų | 146.3 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 98 | 143.1 | -153.2 | 0 | 0 | 0 | 0 | 110.1 | S923 Q927 | S923-C925 PolarHBondContact O-N 2.92Å; C925-Q927 PolarHBondContact O-N 2.98Å | ||
| 926 | S | 24 | Very low | 25.9 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -50.2 | 117.5 | 166 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 927 | Q | 25.7 | Very low | 26.5 | Very low | 178.75 Ų | 178.75 | 141.9 Ų | 141.9 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 114.2 | 102.9 | 131.2 | -85.7 | 172 | 2.5 | 0 | 0 | 115.7 | C925 | C925-Q927 PolarHBondContact O-N 2.98Š| ||
| 928 | K | 25.5 | Very low | 27 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -114.7 | 110.3 | 149.9 | -76.8 | 175.4 | 179.8 | 177.1 | 0 | 112.4 | I930 | K928-I930 PolarHBondContact O-N 3.05Š| ||
| 929 | N | 25.6 | Very low | 27.7 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | trans | -98.6 | 118.3 | 148.2 | -76.7 | -33.9 | 0 | 0 | 0 | 109.2 | Y931 | N929-Y931 PolarHBondContact O-N 3.18Å; N929-Y931 VanDerWaalsContact O-N 3.07Å | ||
| 930 | I | 27.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -97.1 | 105.5 | 167.5 | -71.4 | 162.3 | 0 | 0 | 0 | 107.5 | K928 K932 | K928-I930 PolarHBondContact O-N 3.05Å; I930-K932 HydrophobicContact CG2-CG 4.37Å; I930-K932 PolarHBondContact O-N 3.04Å | ||
| 931 | Y | 29.2 | Very low | 29.5 | Very low | 217.75 Ų | 217.75 | 133.4 Ų | 133.4 | 85% | 0.854 | 73% | 0.727 | S | S | * | * | trans | -50.4 | 108.7 | 161 | -76.5 | -87.5 | 0 | 0 | 0 | 111.3 | N929 P933 | N929-Y931 PolarHBondContact O-N 3.18Å; N929-Y931 VanDerWaalsContact O-N 3.07Å; Y931-P933 VanDerWaalsContact O-CD 3.3Å; Y931-P933 WeakPolarHBondContact O-CD 3.45Å | ||
| 932 | K | 25.9 | Very low | 30.6 | Very low | 165.75 Ų | 165.75 | 129.6 Ų | 129.6 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | trans | -70.3 | 120.1 | 167.5 | -80.4 | 176.8 | 158.5 | -164.1 | 0 | 109.9 | I930 D934 | I930-K932 HydrophobicContact CG2-CG 4.37Å; I930-K932 PolarHBondContact O-N 3.04Å; K932-D934 VanDerWaalsContact C-N 3.3Å; K932-D934 WeakPolarHBondContact CB-OD1 3.45Å; K932-D934 WeakPolarHBondContact CD-OD1 3.31Å; K932-D934 WeakPolarHBondContact CD-OD2 3.31Å; K932-D934 WeakPolarHBondContact CE-OD1 3.41Å; K932-D934 WeakPolarHBondContact CE-OD2 3.49Å; K932-D934 WeakPolarHBondContact CG-OD1 3.47Å; K932-D934 IonicContact NZ-OD1 3.73Å; K932-D934 PolarHBondContact NZ-OD1 3.32Å; K932-D934 IonicContact NZ-OD2 2.95Å; K932-D934 PolarHBondContact NZ-OD2 3.29Å; K932-D934 PolarHBondContact O-N 3.28Å | ||
| 933 | P | 31.4 | Very low | 31.9 | Very low | 117.75 Ų | 117.75 | 124.3 Ų | 124.3 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | trans | -88.6 | 78.4 | 163.4 | 34.3 | -24.5 | 0 | 0 | 0 | 107.9 | Y931 T935 | Y931-P933 VanDerWaalsContact O-CD 3.3Å; Y931-P933 WeakPolarHBondContact O-CD 3.45Å; P933-T935 VanDerWaalsContact C-N 3.28Å; P933-T935 PolarHBondContact O-N 2.98Å | ||
| 934 | D | 28.2 | Very low | 33.3 | Very low | 121.5 Ų | 121.5 | 122.6 Ų | 122.6 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | -94.5 | 63.4 | 174.4 | -70.6 | -25.2 | 0 | 0 | 0 | 109.8 | K932 | K932-D934 VanDerWaalsContact C-N 3.3Å; K932-D934 WeakPolarHBondContact CB-OD1 3.45Å; K932-D934 WeakPolarHBondContact CD-OD1 3.31Å; K932-D934 WeakPolarHBondContact CD-OD2 3.31Å; K932-D934 WeakPolarHBondContact CE-OD1 3.41Å; K932-D934 WeakPolarHBondContact CE-OD2 3.49Å; K932-D934 WeakPolarHBondContact CG-OD1 3.47Å; K932-D934 IonicContact NZ-OD1 3.73Å; K932-D934 PolarHBondContact NZ-OD1 3.32Å; K932-D934 IonicContact NZ-OD2 2.95Å; K932-D934 PolarHBondContact NZ-OD2 3.29Å; K932-D934 PolarHBondContact O-N 3.28Å | ||
| 935 | T | 28 | Very low | 34.8 | Very low | 122.5 Ų | 122.5 | 114.3 Ų | 114.3 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -127.5 | 106.5 | 153.4 | 3.6 | 0 | 0 | 0 | 0 | 106.6 | P933 V937 | P933-T935 VanDerWaalsContact C-N 3.28Å; P933-T935 PolarHBondContact O-N 2.98Å; T935-V937 PolarHBondContact O-N 3.33Å; T935-V937 VanDerWaalsContact O-N 3.12Å |
| 936 | P | 30.9 | Very low | 36.7 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -63.7 | 121.5 | -178.1 | 26.5 | -30.7 | 0 | 0 | 0 | 107.9 | P938 | P936-P938 VanDerWaalsContact O-CD 3.28Å; P936-P938 WeakPolarHBondContact O-CD 3.4Å; P936-P938 VanDerWaalsContact O-N 3.16Å | ||
| 937 | V | 33.8 | Very low | 38.7 | Very low | 86 Ų | 86 | 110.6 Ų | 110.6 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | trans | -49.4 | 125.2 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 106.7 | T935 C939 | T935-V937 PolarHBondContact O-N 3.33Å; T935-V937 VanDerWaalsContact O-N 3.12Å; V937-C939 PolarHBondContact O-N 3.02Å | ||
| 938 | P | 35.4 | Very low | 40.7 | Very low | 83 Ų | 83 | 105.4 Ų | 105.4 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | trans | -64 | 93.4 | 174.4 | 23.6 | -29 | 0 | 0 | 0 | 108 | P936 F940 M1056 | P936-P938 VanDerWaalsContact O-CD 3.28Å; P936-P938 WeakPolarHBondContact O-CD 3.4Å; P936-P938 VanDerWaalsContact O-N 3.16Å; P938-F940 PolarHBondContact O-N 3.28Å; P938-M1056 HydrophobicContact CB-CE 4.14Å; P938-M1056 HydrophobicContact CB-SD 3.17Å; P938-M1056 WeakPolarHBondContact CB-SD 3.26Å; P938-M1056 HydrophobicContact CG-CE 4.11Å; P938-M1056 HydrophobicContact CG-SD 4.21Å | ||
| 939 | C | 37.9 | Very low | 42.8 | Very low | 90.5 Ų | 90.5 | 96.2 Ų | 96.2 | 61% | 0.611 | 53% | 0.534 | S | S | * | . | trans | -63.7 | 124.2 | 164.9 | -70.5 | 0 | 0 | 0 | 0 | 106.6 | V937 N941 | V937-C939 PolarHBondContact O-N 3.02Å; C939-N941 VanDerWaalsContact C-N 3.31Å; C939-N941 PolarHBondContact O-N 3.17Å | ||
| 940 | F | 42.8 | Very low | 45.1 | Very low | 49 Ų | 49 | 91.2 Ų | 91.2 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | trans | -59.7 | 92.7 | 168.8 | -72.7 | -102.1 | 0 | 0 | 0 | 108.7 | Q881 L888 P938 S942 M1056 I1058 | Q881-F940 HydrophobicContact CG-CB 4.22Å; Q881-F940 HydrophobicContact CG-CD1 4.44Å; Q881-F940 HydrophobicContact CG-CD2 3.93Å; Q881-F940 HydrophobicContact CG-CE2 4.37Å; Q881-F940 HydrophobicContact CG-CG 3.99Å; L888-F940 HydrophobicContact CD1-CE2 4.23Å; L888-F940 HydrophobicContact CD1-CZ 4.23Å; P938-F940 PolarHBondContact O-N 3.28Å; F940-S942 VanDerWaalsContact C-N 3.3Å; F940-S942 PolarHBondContact O-N 3.23Å; F940-M1056 HydrophobicContact CD1-CB 4.31Å; F940-M1056 HydrophobicContact CD1-CE 3.92Å; F940-M1056 HydrophobicContact CD1-CG 4.44Å; F940-M1056 HydrophobicContact CD1-SD 3.28Å; F940-M1056 WeakPolarHBondContact CD1-SD 3.26Å; F940-M1056 HydrophobicContact CD2-CE 3.79Å; F940-M1056 HydrophobicContact CD2-SD 4.35Å; F940-M1056 HydrophobicContact CE1-CB 4.43Å; F940-M1056 HydrophobicContact CE1-CE 3.74Å; F940-M1056 HydrophobicContact CE1-CG 4.25Å; F940-M1056 HydrophobicContact CE1-SD 3.78Å; F940-M1056 WeakPolarHBondContact CE1-SD 3.38Å; F940-M1056 HydrophobicContact CE2-CE 3.95Å; F940-M1056 HydrophobicContact CE2-SD 4.28Å; F940-M1056 HydrophobicContact CG-CE 3.72Å; F940-M1056 HydrophobicContact CG-SD 3.9Å; F940-M1056 HydrophobicContact CZ-CE 3.77Å; F940-M1056 HydrophobicContact CZ-SD 3.71Å; F940-I1058 HydrophobicContact CD1-CD1 3.93Å; F940-I1058 HydrophobicContact CD1-CG1 3.86Å; F940-I1058 HydrophobicContact CE1-CB 4.19Å; F940-I1058 HydrophobicContact CE1-CD1 3.29Å; F940-I1058 HydrophobicContact CE1-CG1 3.43Å; F940-I1058 VanDerWaalsContact CE1-CG1 3.43Å; F940-I1058 HydrophobicContact CZ-CD1 4.03Å; F940-I1058 HydrophobicContact CZ-CG1 4.25Å | ||
| 941 | N | 43.9 | Very low | 47.2 | Very low | 141.75 Ų | 141.75 | 86.8 Ų | 86.8 | 76% | 0.758 | 49% | 0.489 | S | S | * | . | trans | -72.5 | 84.1 | 177.7 | -80 | -10.2 | 0 | 0 | 0 | 108.7 | C939 G943 | C939-N941 VanDerWaalsContact C-N 3.31Å; C939-N941 PolarHBondContact O-N 3.17Å; N941-G943 PolarHBondContact O-N 3.03Å | ||
| 942 | S | 48.9 | Very low | 49.4 | Very low | 55.5 Ų | 55.5 | 77.3 Ų | 77.3 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -81 | 3.8 | -166.1 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | F940 S944 C945 S946 | F940-S942 VanDerWaalsContact C-N 3.3Å; F940-S942 PolarHBondContact O-N 3.23Å; S942-S944 PolarHBondContact O-N 3.49Å; S942-S944 VanDerWaalsContact O-N 3.15Å; S942-C945 PolarHBondContact O-N 2.96Å; S942-C945 VanDerWaalsContact O-N 3.14Å; S942-C945 WeakPolarHBondContact OG-CB 3.46Å; S942-S946 WeakPolarHBondContact O-CB 3.4Å; S942-S946 PolarHBondContact O-N 3.07Å; S942-S946 VanDerWaalsContact O-N 3.09Å; S942-S946 PolarHBondContact O-OG 2.95Å |
| 943 | G | 53.1 | Low | 51.8 | Low | 38.25 Ų | 38.25 | 69.5 Ų | 69.5 | 39% | 0.394 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.1 | -58.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N941 C945 S946 E947 | N941-G943 PolarHBondContact O-N 3.03Å; G943-C945 PolarHBondContact O-N 3.03Å; G943-S946 PolarHBondContact O-N 3.29Å; G943-S946 PolarHBondContact O-OG 3.27Å; G943-E947 VanDerWaalsContact O-CB 3.29Å; G943-E947 WeakPolarHBondContact O-CB 3.32Å; G943-E947 VanDerWaalsContact O-CG 3.29Å; G943-E947 WeakPolarHBondContact O-CG 3.31Å; G943-E947 PolarHBondContact O-N 3.13Å; G943-E947 VanDerWaalsContact O-N 3.11Å |
| 944 | S | 55.1 | Low | 53.7 | Low | 75.75 Ų | 75.75 | 65.1 Ų | 65.1 | 53% | 0.53 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | -172.9 | 64.3 | 0 | 0 | 0 | 0 | 114 | S942 H948 | S942-S944 PolarHBondContact O-N 3.49Å; S942-S944 VanDerWaalsContact O-N 3.15Å; S944-H948 WeakPolarHBondContact O-CB 3.39Å; S944-H948 PolarHBondContact O-N 3.15Å |
| 945 | C | 55.6 | Low | 55.7 | Low | 13.25 Ų | 13.25 | 62.7 Ų | 62.7 | 9% | 0.09 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71 | -39.3 | -179.5 | -172 | 0 | 0 | 0 | 0 | 111.2 | S942 G943 H948 L949 M1056 F1059 | S942-C945 PolarHBondContact O-N 2.96Å; S942-C945 VanDerWaalsContact O-N 3.14Å; S942-C945 WeakPolarHBondContact OG-CB 3.46Å; G943-C945 PolarHBondContact O-N 3.03Å; C945-H948 PolarHBondContact O-N 3.07Å; C945-L949 WeakPolarHBondContact O-CB 3.17Å; C945-L949 WeakPolarHBondContact O-CG 3.37Å; C945-L949 PolarHBondContact O-N 3.02Å; C945-L949 VanDerWaalsContact O-N 3.09Å; C945-M1056 PolarHBondContact SG-O 3.05Å; C945-M1056 VanDerWaalsContact SG-O 3.33Å; C945-F1059 HydrophobicContact CB-CD2 4.01Å; C945-F1059 HydrophobicContact CB-CE2 3.62Å; C945-F1059 HydrophobicContact CB-CZ 4.18Å; C945-F1059 VanDerWaalsContact SG-CD2 3.56Å; C945-F1059 VanDerWaalsContact SG-CE2 3.51Å; C945-F1059 WeakPolarHBondContact SG-CZ 3.39Å |
| 946 | S | 61.3 | Low | 57.6 | Low | 17 Ų | 17 | 59.3 Ų | 59.3 | 12% | 0.119 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 176.3 | 134.3 | 0 | 0 | 0 | 0 | 111.7 | A873 S877 S942 G943 H948 L949 Q950 | A873-S946 VanDerWaalsContact CB-O 3.29Å; A873-S946 WeakPolarHBondContact CB-O 3.41Å; S877-S946 WeakPolarHBondContact CB-OG 3.22Å; S877-S946 PolarHBondContact OG-OG 3.15Å; S942-S946 WeakPolarHBondContact O-CB 3.4Å; S942-S946 PolarHBondContact O-N 3.07Å; S942-S946 VanDerWaalsContact O-N 3.09Å; S942-S946 PolarHBondContact O-OG 2.95Å; G943-S946 PolarHBondContact O-N 3.29Å; G943-S946 PolarHBondContact O-OG 3.27Å; S946-H948 VanDerWaalsContact C-N 3.32Å; S946-H948 PolarHBondContact O-N 3.08Å; S946-L949 PolarHBondContact O-N 3.26Å; S946-Q950 VanDerWaalsContact O-CB 3.27Å; S946-Q950 WeakPolarHBondContact O-CB 3.33Å; S946-Q950 VanDerWaalsContact O-CD 3.32Å; S946-Q950 WeakPolarHBondContact O-CG 3.13Å; S946-Q950 PolarHBondContact O-N 3.17Å; S946-Q950 VanDerWaalsContact O-N 3.09Å; S946-Q950 PolarHBondContact O-NE2 3.17Å; S946-Q950 PolarHBondContact OG-NE2 3.02Å |
| 947 | E | 66.1 | Low | 59.4 | Low | 131.25 Ų | 131.25 | 55.1 Ų | 55.1 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.9 | -40.7 | 175.8 | -74.8 | 174 | -172.4 | 0 | 0 | 111.9 | G943 Q950 S951 | G943-E947 VanDerWaalsContact O-CB 3.29Å; G943-E947 WeakPolarHBondContact O-CB 3.32Å; G943-E947 VanDerWaalsContact O-CG 3.29Å; G943-E947 WeakPolarHBondContact O-CG 3.31Å; G943-E947 PolarHBondContact O-N 3.13Å; G943-E947 VanDerWaalsContact O-N 3.11Å; E947-Q950 PolarHBondContact O-N 3.29Å; E947-S951 WeakPolarHBondContact O-CB 3.37Å; E947-S951 PolarHBondContact O-N 3.17Å; E947-S951 PolarHBondContact O-OG 3.28Å |
| 948 | H | 67.6 | Low | 60.9 | Low | 69.5 Ų | 69.5 | 55.1 Ų | 55.1 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -51.4 | 177.5 | -168.7 | 56.9 | 0 | 0 | 0 | 111.6 | S944 C945 S946 Q950 S951 Q952 N1109 | S944-H948 WeakPolarHBondContact O-CB 3.39Å; S944-H948 PolarHBondContact O-N 3.15Å; C945-H948 PolarHBondContact O-N 3.07Å; S946-H948 VanDerWaalsContact C-N 3.32Å; S946-H948 PolarHBondContact O-N 3.08Å; H948-Q950 VanDerWaalsContact C-N 3.29Å; H948-Q950 PolarHBondContact O-N 3.21Å; H948-S951 PolarHBondContact O-N 3.21Å; H948-S951 PolarHBondContact O-OG 3.11Å; H948-Q952 PolarHBondContact CD2-NE2 2.95Å; H948-Q952 VanDerWaalsContact NE2-CD 3.28Å; H948-Q952 PolarHBondContact NE2-NE2 3.28Å; H948-Q952 VanDerWaalsContact NE2-NE2 3.11Å; H948-Q952 WeakPolarHBondContact O-CB 3.38Å; H948-Q952 VanDerWaalsContact O-CG 3.3Å; H948-Q952 WeakPolarHBondContact O-CG 3.37Å; H948-Q952 PolarHBondContact O-N 3.12Å; H948-N1109 PolarHBondContact CD2-OD1 3.43Å |
| 949 | L | 70.6 | Confident | 62.2 | Low | 0.5 Ų | 0.5 | 56.8 Ų | 56.8 | 0% | 0.003 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 177.6 | -164.5 | 148.3 | 0 | 0 | 0 | 112.1 | A873 I876 L880 C945 S946 S951 Q952 L953 F1059 I1105 M1108 N1109 | A873-L949 HydrophobicContact CB-CB 3.79Å; I876-L949 HydrophobicContact CB-CD1 4.47Å; I876-L949 HydrophobicContact CG2-CD1 4Å; L880-L949 HydrophobicContact CD1-CD1 4.25Å; C945-L949 WeakPolarHBondContact O-CB 3.17Å; C945-L949 WeakPolarHBondContact O-CG 3.37Å; C945-L949 PolarHBondContact O-N 3.02Å; C945-L949 VanDerWaalsContact O-N 3.09Å; S946-L949 PolarHBondContact O-N 3.26Å; L949-S951 PolarHBondContact O-N 3.23Å; L949-S951 VanDerWaalsContact O-N 3.14Å; L949-Q952 PolarHBondContact O-N 3.36Å; L949-L953 HydrophobicContact CD2-CD1 3.48Å; L949-L953 VanDerWaalsContact CD2-CD1 3.47Å; L949-L953 HydrophobicContact CD2-CG 4.18Å; L949-L953 HydrophobicContact CG-CD1 4.06Å; L949-L953 HydrophobicContact CG-CG 4.24Å; L949-L953 WeakPolarHBondContact O-CB 3.36Å; L949-L953 VanDerWaalsContact O-CG 3.3Å; L949-L953 WeakPolarHBondContact O-CG 3.36Å; L949-L953 PolarHBondContact O-N 3.23Å; L949-F1059 HydrophobicContact CB-CD2 4.44Å; L949-F1059 HydrophobicContact CB-CE2 4.24Å; L949-F1059 HydrophobicContact CD1-CD1 4.01Å; L949-F1059 HydrophobicContact CD1-CD2 4.17Å; L949-F1059 HydrophobicContact CD1-CE1 3.31Å; L949-F1059 HydrophobicContact CD1-CE2 3.53Å; L949-F1059 HydrophobicContact CD1-CG 4.4Å; L949-F1059 HydrophobicContact CD1-CZ 3.08Å; L949-F1059 HydrophobicContact CG-CZ 4.41Å; L949-I1105 HydrophobicContact CD2-CG2 3.97Å; L949-M1108 HydrophobicContact CD2-CE 4.25Å; L949-N1109 WeakPolarHBondContact CD2-ND2 3.43Å |
| 950 | Q | 73.5 | Confident | 63.2 | Low | 42.25 Ų | 42.25 | 61.3 Ų | 61.3 | 20% | 0.197 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 177.7 | -92 | 167.5 | 26.8 | 0 | 0 | 111.9 | N866 R869 A873 V874 S946 E947 H948 Q952 V954 | N866-Q950 PolarHBondContact ND2-NE2 3.27Å; N866-Q950 VanDerWaalsContact ND2-NE2 3.14Å; N866-Q950 PolarHBondContact O-NE2 3.41Å; N866-Q950 PolarHBondContact OD1-NE2 2.83Å; R869-Q950 HydrophobicContact CB-CG 3.96Å; R869-Q950 PolarHBondContact NE-O 3.15Å; A873-Q950 HydrophobicContact CB-CB 4.32Å; A873-Q950 HydrophobicContact CB-CG 4.25Å; V874-Q950 VanDerWaalsContact CG2-CD 3.43Å; V874-Q950 HydrophobicContact CG2-CG 3.95Å; S946-Q950 VanDerWaalsContact O-CB 3.27Å; S946-Q950 WeakPolarHBondContact O-CB 3.33Å; S946-Q950 VanDerWaalsContact O-CD 3.32Å; S946-Q950 WeakPolarHBondContact O-CG 3.13Å; S946-Q950 PolarHBondContact O-N 3.17Å; S946-Q950 VanDerWaalsContact O-N 3.09Å; S946-Q950 PolarHBondContact O-NE2 3.17Å; S946-Q950 PolarHBondContact OG-NE2 3.02Å; E947-Q950 PolarHBondContact O-N 3.29Å; H948-Q950 VanDerWaalsContact C-N 3.29Å; H948-Q950 PolarHBondContact O-N 3.21Å; Q950-Q952 VanDerWaalsContact C-N 3.33Å; Q950-Q952 PolarHBondContact O-N 3.12Å; Q950-V954 WeakPolarHBondContact O-CB 3.19Å; Q950-V954 VanDerWaalsContact O-CG2 3.29Å; Q950-V954 WeakPolarHBondContact O-CG2 3.31Å; Q950-V954 PolarHBondContact O-N 2.98Å; Q950-V954 VanDerWaalsContact O-N 3.09Å |
| 951 | S | 72.2 | Confident | 63.8 | Low | 63.25 Ų | 63.25 | 61.2 Ų | 61.2 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74.6 | -32.7 | 179.7 | 72 | 0 | 0 | 0 | 0 | 112.4 | E947 H948 L949 T955 | E947-S951 WeakPolarHBondContact O-CB 3.37Å; E947-S951 PolarHBondContact O-N 3.17Å; E947-S951 PolarHBondContact O-OG 3.28Å; H948-S951 PolarHBondContact O-N 3.21Å; H948-S951 PolarHBondContact O-OG 3.11Å; L949-S951 PolarHBondContact O-N 3.23Å; L949-S951 VanDerWaalsContact O-N 3.14Å; S951-T955 WeakPolarHBondContact O-CB 3.4Å; S951-T955 WeakPolarHBondContact O-CG2 3.39Å; S951-T955 PolarHBondContact O-N 3.08Å; S951-T955 PolarHBondContact O-OG1 3.01Å |
| 952 | Q | 74.5 | Confident | 64.4 | Low | 18 Ų | 18 | 60.5 Ų | 60.5 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -49.6 | 180 | -82.1 | -173.7 | -30.1 | 0 | 0 | 112 | H948 L949 Q950 V954 T955 Q956 M1108 N1109 H1118 | H948-Q952 PolarHBondContact CD2-NE2 2.95Å; H948-Q952 VanDerWaalsContact NE2-CD 3.28Å; H948-Q952 PolarHBondContact NE2-NE2 3.28Å; H948-Q952 VanDerWaalsContact NE2-NE2 3.11Å; H948-Q952 WeakPolarHBondContact O-CB 3.38Å; H948-Q952 VanDerWaalsContact O-CG 3.3Å; H948-Q952 WeakPolarHBondContact O-CG 3.37Å; H948-Q952 PolarHBondContact O-N 3.12Å; L949-Q952 PolarHBondContact O-N 3.36Å; Q950-Q952 VanDerWaalsContact C-N 3.33Å; Q950-Q952 PolarHBondContact O-N 3.12Å; Q952-V954 VanDerWaalsContact C-N 3.32Å; Q952-V954 PolarHBondContact O-N 3.31Å; Q952-T955 WeakPolarHBondContact CA-OG1 3.39Å; Q952-T955 PolarHBondContact O-N 3.2Å; Q952-T955 PolarHBondContact O-OG1 3Å; Q952-Q956 WeakPolarHBondContact O-CB 3.31Å; Q952-Q956 WeakPolarHBondContact O-CG 3.43Å; Q952-Q956 PolarHBondContact O-N 3.24Å; Q952-M1108 VanDerWaalsContact OE1-CE 3.29Å; Q952-N1109 PolarHBondContact NE2-OD1 2.82Å; Q952-N1109 PolarHBondContact OE1-OD1 2.95Å; Q952-N1109 VanDerWaalsContact OE1-OD1 3.07Å; Q952-H1118 PolarHBondContact O-NE2 3.11Å |
| 953 | L | 75.9 | Confident | 64.9 | Low | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 179.2 | -72.5 | 178.7 | 0 | 0 | 0 | 112 | L861 L862 A873 I876 L949 T955 Q956 F957 I1105 M1108 V1122 I1125 | L861-L953 HydrophobicContact CB-CB 4.41Å; L861-L953 HydrophobicContact CB-CD1 3.54Å; L861-L953 HydrophobicContact CB-CG 4.45Å; L861-L953 HydrophobicContact CD1-CD1 4.19Å; L861-L953 HydrophobicContact CD1-CD2 4.41Å; L861-L953 HydrophobicContact CD1-CG 4.46Å; L861-L953 HydrophobicContact CD2-CB 4.39Å; L861-L953 HydrophobicContact CG-CD1 4.23Å; L862-L953 HydrophobicContact CD2-CB 3.83Å; A873-L953 HydrophobicContact CB-CB 4.06Å; A873-L953 HydrophobicContact CB-CD1 4.08Å; I876-L953 HydrophobicContact CB-CD1 4.26Å; I876-L953 HydrophobicContact CD1-CD1 4.46Å; I876-L953 HydrophobicContact CG2-CD1 3.9Å; L949-L953 HydrophobicContact CD2-CD1 3.48Å; L949-L953 VanDerWaalsContact CD2-CD1 3.47Å; L949-L953 HydrophobicContact CD2-CG 4.18Å; L949-L953 HydrophobicContact CG-CD1 4.06Å; L949-L953 HydrophobicContact CG-CG 4.24Å; L949-L953 WeakPolarHBondContact O-CB 3.36Å; L949-L953 VanDerWaalsContact O-CG 3.3Å; L949-L953 WeakPolarHBondContact O-CG 3.36Å; L949-L953 PolarHBondContact O-N 3.23Å; L953-T955 PolarHBondContact O-N 3.18Å; L953-T955 VanDerWaalsContact O-N 3.16Å; L953-Q956 PolarHBondContact O-N 3.45Å; L953-F957 HydrophobicContact CD2-CE2 4.48Å; L953-F957 VanDerWaalsContact O-CD2 3.23Å; L953-F957 WeakPolarHBondContact O-CD2 3.4Å; L953-F957 PolarHBondContact O-N 3.26Å; L953-I1105 HydrophobicContact CD2-CG2 4.2Å; L953-M1108 HydrophobicContact CD2-CE 3.38Å; L953-M1108 VanDerWaalsContact CD2-CE 3.43Å; L953-M1108 HydrophobicContact CD2-SD 4.31Å; L953-V1122 HydrophobicContact CD2-CB 3.97Å; L953-V1122 HydrophobicContact CD2-CG1 3.78Å; L953-V1122 HydrophobicContact CD2-CG2 3.76Å; L953-I1125 HydrophobicContact CD1-CG2 4.23Å; L953-I1125 HydrophobicContact CD2-CB 4.44Å; L953-I1125 HydrophobicContact CD2-CD1 4.07Å; L953-I1125 HydrophobicContact CD2-CG2 4.37Å |
| 954 | V | 71.6 | Confident | 65.3 | Low | 26.25 Ų | 26.25 | 60.3 Ų | 60.3 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.4 | -24.2 | 178 | 176 | 0 | 0 | 0 | 0 | 111 | R869 A873 Q950 Q952 Q956 N958 | R869-V954 HydrophobicContact CB-CG2 4.33Å; R869-V954 VanDerWaalsContact CD-CG2 3.47Å; A873-V954 HydrophobicContact CB-CG2 4.15Å; Q950-V954 WeakPolarHBondContact O-CB 3.19Å; Q950-V954 VanDerWaalsContact O-CG2 3.29Å; Q950-V954 WeakPolarHBondContact O-CG2 3.31Å; Q950-V954 PolarHBondContact O-N 2.98Å; Q950-V954 VanDerWaalsContact O-N 3.09Å; Q952-V954 VanDerWaalsContact C-N 3.32Å; Q952-V954 PolarHBondContact O-N 3.31Å; V954-Q956 PolarHBondContact O-N 2.69Å; V954-N958 WeakPolarHBondContact O-CB 3.23Å; V954-N958 VanDerWaalsContact O-CG 3.31Å; V954-N958 PolarHBondContact O-N 3.28Å; V954-N958 VanDerWaalsContact O-N 3.16Å; V954-N958 PolarHBondContact O-ND2 3.12Å; V954-N958 VanDerWaalsContact O-ND2 3.17Å; V954-N958 PolarHBondContact O-OD1 3.33Å |
| 955 | T | 71.6 | Confident | 65.3 | Low | 70.75 Ų | 70.75 | 60.8 Ų | 60.8 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67 | -34.2 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | S951 Q952 L953 F957 N958 L959 | S951-T955 WeakPolarHBondContact O-CB 3.4Å; S951-T955 WeakPolarHBondContact O-CG2 3.39Å; S951-T955 PolarHBondContact O-N 3.08Å; S951-T955 PolarHBondContact O-OG1 3.01Å; Q952-T955 WeakPolarHBondContact CA-OG1 3.39Å; Q952-T955 PolarHBondContact O-N 3.2Å; Q952-T955 PolarHBondContact O-OG1 3Å; L953-T955 PolarHBondContact O-N 3.18Å; L953-T955 VanDerWaalsContact O-N 3.16Å; T955-F957 VanDerWaalsContact CB-CE2 3.41Å; T955-F957 HydrophobicContact CG2-CD2 4.06Å; T955-F957 HydrophobicContact CG2-CE2 3.61Å; T955-F957 HydrophobicContact CG2-CZ 4.33Å; T955-F957 PolarHBondContact O-N 2.96Å; T955-F957 WeakPolarHBondContact OG1-CD2 3.47Å; T955-F957 WeakPolarHBondContact OG1-CE2 3.34Å; T955-N958 WeakPolarHBondContact O-CB 3.37Å; T955-N958 PolarHBondContact O-N 3.13Å; T955-L959 PolarHBondContact O-N 3.26Å |
| 956 | Q | 67.9 | Low | 65.2 | Low | 51 Ų | 51 | 62.1 Ų | 62.1 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -26.7 | 176.8 | -80 | -175.5 | -2.7 | 0 | 0 | 112.4 | Q952 L953 V954 N958 L959 M1108 N1109 H1118 | Q952-Q956 WeakPolarHBondContact O-CB 3.31Å; Q952-Q956 WeakPolarHBondContact O-CG 3.43Å; Q952-Q956 PolarHBondContact O-N 3.24Å; L953-Q956 PolarHBondContact O-N 3.45Å; V954-Q956 PolarHBondContact O-N 2.69Å; Q956-N958 VanDerWaalsContact C-N 3.3Å; Q956-N958 PolarHBondContact O-N 3.2Å; Q956-L959 PolarHBondContact O-N 3.16Å; Q956-M1108 PolarHBondContact NE2-O 2.94Å; Q956-N1109 PolarHBondContact OE1-OD1 3.26Å; Q956-H1118 WeakPolarHBondContact CB-CE1 3.46Å; Q956-H1118 VanDerWaalsContact CB-NE2 3.33Å; Q956-H1118 WeakPolarHBondContact CB-NE2 3.21Å; Q956-H1118 WeakPolarHBondContact CG-CE1 3.3Å; Q956-H1118 PolarHBondContact O-CE1 3.3Å; Q956-H1118 PolarHBondContact O-NE2 3.18Å; Q956-H1118 PolarHBondContact OE1-CE1 2.89Å |
| 957 | F | 68.8 | Low | 64.7 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -75.4 | 5.3 | 175 | -77.8 | -90.4 | 0 | 0 | 0 | 112.3 | L861 L862 L953 T955 L959 K960 M1108 V1122 I1125 | L861-F957 HydrophobicContact CB-CD1 3.9Å; L861-F957 HydrophobicContact CB-CD2 4.28Å; L861-F957 HydrophobicContact CB-CE1 4.02Å; L861-F957 HydrophobicContact CB-CE2 4.38Å; L861-F957 HydrophobicContact CB-CG 4.03Å; L861-F957 HydrophobicContact CB-CZ 4.26Å; L861-F957 HydrophobicContact CD1-CD2 3.99Å; L861-F957 HydrophobicContact CD1-CE1 4.44Å; L861-F957 HydrophobicContact CD1-CE2 3.61Å; L861-F957 HydrophobicContact CD1-CG 4.47Å; L861-F957 HydrophobicContact CD1-CZ 3.87Å; L862-F957 HydrophobicContact CD2-CD1 3.61Å; L862-F957 HydrophobicContact CD2-CE1 3.85Å; L862-F957 HydrophobicContact CG-CD1 4.09Å; L862-F957 HydrophobicContact CG-CE1 4.11Å; L953-F957 HydrophobicContact CD2-CE2 4.48Å; L953-F957 VanDerWaalsContact O-CD2 3.23Å; L953-F957 WeakPolarHBondContact O-CD2 3.4Å; L953-F957 PolarHBondContact O-N 3.26Å; T955-F957 VanDerWaalsContact CB-CE2 3.41Å; T955-F957 HydrophobicContact CG2-CD2 4.06Å; T955-F957 HydrophobicContact CG2-CE2 3.61Å; T955-F957 HydrophobicContact CG2-CZ 4.33Å; T955-F957 PolarHBondContact O-N 2.96Å; T955-F957 WeakPolarHBondContact OG1-CD2 3.47Å; T955-F957 WeakPolarHBondContact OG1-CE2 3.34Å; F957-L959 PolarHBondContact O-N 3.42Å; F957-K960 PolarHBondContact O-N 3.3Å; F957-M1108 HydrophobicContact CE2-CE 3.89Å; F957-M1108 HydrophobicContact CE2-SD 4.17Å; F957-V1122 HydrophobicContact CD1-CG1 4.07Å; F957-V1122 HydrophobicContact CE1-CG1 3.89Å; F957-V1122 HydrophobicContact CE1-CG2 4.5Å; F957-V1122 HydrophobicContact CE2-CG2 4.4Å; F957-V1122 HydrophobicContact CZ-CG1 4.43Å; F957-V1122 HydrophobicContact CZ-CG2 4.39Å; F957-I1125 HydrophobicContact CZ-CD1 4.17Å; F957-I1125 HydrophobicContact CZ-CG2 4.2Å |
| 958 | N | 64.8 | Low | 64 | Low | 86 Ų | 86 | 64.9 Ų | 64.9 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -76.6 | -11.8 | 177.7 | -82.8 | -23.6 | 0 | 0 | 0 | 114.5 | R869 V954 T955 Q956 K960 | R869-N958 VanDerWaalsContact CZ-OD1 3.24Å; R869-N958 PolarHBondContact NE-OD1 3.38Å; R869-N958 VanDerWaalsContact NE-OD1 3.1Å; R869-N958 PolarHBondContact NH1-OD1 3.48Å; R869-N958 PolarHBondContact NH2-OD1 3.21Å; V954-N958 WeakPolarHBondContact O-CB 3.23Å; V954-N958 VanDerWaalsContact O-CG 3.31Å; V954-N958 PolarHBondContact O-N 3.28Å; V954-N958 VanDerWaalsContact O-N 3.16Å; V954-N958 PolarHBondContact O-ND2 3.12Å; V954-N958 VanDerWaalsContact O-ND2 3.17Å; V954-N958 PolarHBondContact O-OD1 3.33Å; T955-N958 WeakPolarHBondContact O-CB 3.37Å; T955-N958 PolarHBondContact O-N 3.13Å; Q956-N958 VanDerWaalsContact C-N 3.3Å; Q956-N958 PolarHBondContact O-N 3.2Å; N958-K960 PolarHBondContact O-N 3.2Å; N958-K960 VanDerWaalsContact O-N 3.08Å |
| 959 | L | 62.1 | Low | 63 | Low | 117.25 Ų | 117.25 | 68.8 Ų | 68.8 | 61% | 0.614 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -80.8 | 91.9 | 178.5 | -71.3 | 168.2 | 0 | 0 | 0 | 110.5 | T955 Q956 F957 P961 | T955-L959 PolarHBondContact O-N 3.26Å; Q956-L959 PolarHBondContact O-N 3.16Å; F957-L959 PolarHBondContact O-N 3.42Å; L959-P961 VanDerWaalsContact C-CD 3.47Å; L959-P961 VanDerWaalsContact O-CD 3.24Å; L959-P961 WeakPolarHBondContact O-CD 3.24Å; L959-P961 VanDerWaalsContact O-N 3.12Å |
| 960 | K | 58.5 | Low | 62.1 | Low | 186.75 Ų | 186.75 | 75.6 Ų | 75.6 | 81% | 0.812 | 39% | 0.385 | S | S | * | . | trans | -85.1 | 110.1 | 174.6 | -95 | 175.6 | -178.1 | -179.8 | 0 | 108.8 | F957 N958 L962 | F957-K960 PolarHBondContact O-N 3.3Å; N958-K960 PolarHBondContact O-N 3.2Å; N958-K960 VanDerWaalsContact O-N 3.08Å; K960-L962 PolarHBondContact O-N 2.97Å | ||
| 961 | P | 57.1 | Low | 60.9 | Low | 46.75 Ų | 46.75 | 76.2 Ų | 76.2 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 150.7 | 175.9 | 9.1 | -4.4 | 0 | 0 | 0 | 110 | L959 P963 R1119 P1155 I1157 | L959-P961 VanDerWaalsContact C-CD 3.47Å; L959-P961 VanDerWaalsContact O-CD 3.24Å; L959-P961 WeakPolarHBondContact O-CD 3.24Å; L959-P961 VanDerWaalsContact O-N 3.12Å; P961-P963 WeakPolarHBondContact O-CD 3.18Å; P961-P963 VanDerWaalsContact O-N 3.14Å; P961-R1119 HydrophobicContact CB-CB 4Å; P961-R1119 HydrophobicContact CB-CG 3.65Å; P961-R1119 HydrophobicContact CG-CB 4.23Å; P961-R1119 HydrophobicContact CG-CG 3.85Å; P961-P1155 HydrophobicContact CB-CB 4.41Å; P961-P1155 WeakPolarHBondContact CB-O 3.2Å; P961-P1155 VanDerWaalsContact CG-CA 3.4Å; P961-P1155 HydrophobicContact CG-CB 4.2Å; P961-P1155 WeakPolarHBondContact CG-O 3.41Å; P961-I1157 HydrophobicContact CB-CG1 4.13Å; P961-I1157 HydrophobicContact CG-CD1 4.35Å; P961-I1157 HydrophobicContact CG-CG1 3.78Å; P961-I1157 WeakPolarHBondContact O-CD1 3.28Å; P961-I1157 WeakPolarHBondContact O-CG1 3.34Å |
| 962 | L | 56.7 | Low | 59.4 | Low | 125.25 Ų | 125.25 | 77.9 Ų | 77.9 | 66% | 0.656 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 134.8 | 169.4 | -133.4 | 77.7 | 0 | 0 | 0 | 108.4 | K960 L964 R1119 F1156 I1157 | K960-L962 PolarHBondContact O-N 2.97Å; L962-L964 PolarHBondContact O-N 3.28Å; L962-R1119 VanDerWaalsContact CB-NH2 3.33Å; L962-F1156 WeakPolarHBondContact O-CA 3.41Å; L962-I1157 PolarHBondContact O-N 3.23Å; L962-I1157 VanDerWaalsContact O-N 3.1Å |
| 963 | P | 58.8 | Low | 57.8 | Low | 59.75 Ų | 59.75 | 82.1 Ų | 82.1 | 39% | 0.388 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 129.7 | -177.3 | -0.4 | 0.8 | 0 | 0 | 0 | 110.5 | P961 I965 L966 I1157 | P961-P963 WeakPolarHBondContact O-CD 3.18Å; P961-P963 VanDerWaalsContact O-N 3.14Å; P963-I965 PolarHBondContact O-N 3.41Å; P963-L966 HydrophobicContact CB-CB 4.26Å; P963-L966 HydrophobicContact CB-CD1 3.83Å; P963-L966 HydrophobicContact CG-CD1 3.45Å; P963-L966 VanDerWaalsContact CG-CD1 3.45Å; P963-L966 PolarHBondContact O-N 2.92Å; P963-L966 VanDerWaalsContact O-N 3.09Å; P963-I1157 HydrophobicContact CB-CB 4.49Å; P963-I1157 HydrophobicContact CB-CD1 3.63Å; P963-I1157 HydrophobicContact CB-CG1 3.67Å; P963-I1157 HydrophobicContact CG-CD1 3.6Å; P963-I1157 HydrophobicContact CG-CG1 4.19Å |
| 964 | L | 60.2 | Low | 56.2 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 16% | 0.157 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 111.7 | 175.4 | -148.4 | 125.7 | 0 | 0 | 0 | 109.4 | L962 L966 I1085 D1123 L1127 I1142 F1156 I1157 | L962-L964 PolarHBondContact O-N 3.28Å; L964-L966 HydrophobicContact CB-CG 4.38Å; L964-L966 HydrophobicContact CD2-CD2 3.77Å; L964-L966 HydrophobicContact CD2-CG 4.08Å; L964-L966 PolarHBondContact O-N 3.11Å; L964-I1085 HydrophobicContact CD1-CD1 4.02Å; L964-I1085 HydrophobicContact CD2-CD1 3.75Å; L964-I1085 VanDerWaalsContact CD2-CD1 3.48Å; L964-I1085 HydrophobicContact CD2-CG1 4.23Å; L964-I1085 HydrophobicContact CG-CD1 3.81Å; L964-I1085 HydrophobicContact CG-CG1 4.39Å; L964-D1123 HydrophobicContact CD1-CB 4.28Å; L964-L1127 HydrophobicContact CD2-CD2 4.34Å; L964-I1142 HydrophobicContact CD2-CD1 3.23Å; L964-F1156 HydrophobicContact CB-CB 3.92Å; L964-F1156 HydrophobicContact CB-CD2 4.02Å; L964-F1156 HydrophobicContact CB-CG 4.14Å; L964-F1156 HydrophobicContact CD1-CB 3.67Å; L964-F1156 HydrophobicContact CD1-CD1 3.36Å; L964-F1156 HydrophobicContact CD1-CD2 4.35Å; L964-F1156 HydrophobicContact CD1-CE1 4.03Å; L964-F1156 HydrophobicContact CD1-CG 3.55Å; L964-F1156 HydrophobicContact CD2-CD1 4.21Å; L964-F1156 HydrophobicContact CD2-CD2 3.99Å; L964-F1156 HydrophobicContact CD2-CE1 4.21Å; L964-F1156 HydrophobicContact CD2-CE2 3.99Å; L964-F1156 HydrophobicContact CD2-CG 4.12Å; L964-F1156 HydrophobicContact CD2-CZ 4.11Å; L964-F1156 HydrophobicContact CG-CB 4.2Å; L964-F1156 HydrophobicContact CG-CD1 4.32Å; L964-F1156 HydrophobicContact CG-CD2 4.39Å; L964-F1156 HydrophobicContact CG-CG 4.29Å; L964-I1157 PolarHBondContact N-O 3.45Å; L964-I1157 PolarHBondContact O-N 3.01Å |
| 965 | I | 56.6 | Low | 54.6 | Low | 87.25 Ų | 87.25 | 94.2 Ų | 94.2 | 45% | 0.447 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 76.5 | 179.1 | -56.9 | 173 | 0 | 0 | 0 | 108.7 | P963 N967 R968 P1141 | P963-I965 PolarHBondContact O-N 3.41Å; I965-N967 HydrophobicContact CG2-CB 4.15Å; I965-N967 PolarHBondContact O-N 3.09Å; I965-N967 VanDerWaalsContact O-N 3.1Å; I965-R968 CarbonylContact O-C 3.17Å; I965-R968 PolarHBondContact O-N 2.95Å; I965-P1141 HydrophobicContact CD1-CG 4.09Å |
| 966 | L | 53.6 | Low | 53.3 | Low | 40.25 Ų | 40.25 | 96.8 Ų | 96.8 | 21% | 0.211 | 50% | 0.497 | C | S | . | . | trans | -79.4 | 51.9 | 178.1 | -79.9 | 156.6 | 0 | 0 | 0 | 111.5 | P963 L964 R968 I1085 P1141 I1142 F1156 I1157 C1158 | P963-L966 HydrophobicContact CB-CB 4.26Å; P963-L966 HydrophobicContact CB-CD1 3.83Å; P963-L966 HydrophobicContact CG-CD1 3.45Å; P963-L966 VanDerWaalsContact CG-CD1 3.45Å; P963-L966 PolarHBondContact O-N 2.92Å; P963-L966 VanDerWaalsContact O-N 3.09Å; L964-L966 HydrophobicContact CB-CG 4.38Å; L964-L966 HydrophobicContact CD2-CD2 3.77Å; L964-L966 HydrophobicContact CD2-CG 4.08Å; L964-L966 PolarHBondContact O-N 3.11Å; L966-R968 PolarHBondContact O-N 3.24Å; L966-I1085 HydrophobicContact CD2-CD1 3.82Å; L966-I1085 HydrophobicContact CD2-CG1 4.1Å; L966-I1085 HydrophobicContact CD2-CG2 3.92Å; L966-P1141 HydrophobicContact CD2-CG 3.83Å; L966-P1141 WeakPolarHBondContact O-CD 3.44Å; L966-I1142 HydrophobicContact CD1-CB 4.21Å; L966-I1142 HydrophobicContact CD1-CD1 3.56Å; L966-I1142 HydrophobicContact CD1-CG1 4.49Å; L966-I1142 HydrophobicContact CD2-CD1 4.16Å; L966-I1142 HydrophobicContact CG-CD1 4.43Å; L966-F1156 HydrophobicContact CD1-CB 4.08Å; L966-F1156 HydrophobicContact CD1-CD1 4.44Å; L966-F1156 HydrophobicContact CD1-CD2 3.47Å; L966-F1156 VanDerWaalsContact CD1-CD2 3.47Å; L966-F1156 HydrophobicContact CD1-CE2 4Å; L966-F1156 HydrophobicContact CD1-CG 3.76Å; L966-I1157 WeakPolarHBondContact CD1-O 3.44Å; L966-I1157 PolarHBondContact N-O 3.17Å; L966-C1158 HydrophobicContact CD1-CB 4.29Å | ||
| 967 | N | 51 | Low | 52.3 | Low | 105.75 Ų | 105.75 | 97.5 Ų | 97.5 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | trans | -69.3 | 104.8 | -176.8 | -72.3 | -5.4 | 0 | 0 | 0 | 112.6 | I965 E969 Q970 | I965-N967 HydrophobicContact CG2-CB 4.15Å; I965-N967 PolarHBondContact O-N 3.09Å; I965-N967 VanDerWaalsContact O-N 3.1Å; N967-E969 PolarHBondContact O-N 2.88Å; N967-E969 VanDerWaalsContact O-N 3.1Å; N967-Q970 PolarHBondContact O-N 3.22Å | ||
| 968 | R | 49.9 | Very low | 51.2 | Low | 101.5 Ų | 101.5 | 103.4 Ų | 103.4 | 38% | 0.383 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -69.7 | -2.3 | 172.5 | -109.1 | -179.6 | 179.3 | -176.5 | 5 | 112.5 | I965 L966 Q970 I971 C1081 L1082 W1086 D1120 D1123 N1138 E1139 | I965-R968 CarbonylContact O-C 3.17Å; I965-R968 PolarHBondContact O-N 2.95Å; L966-R968 PolarHBondContact O-N 3.24Å; R968-Q970 PolarHBondContact O-N 3.08Å; R968-Q970 VanDerWaalsContact O-N 3.11Å; R968-I971 WeakPolarHBondContact O-CA 3.26Å; R968-I971 WeakPolarHBondContact O-CB 3.39Å; R968-I971 PolarHBondContact O-N 3.23Å; R968-C1081 PolarHBondContact NH1-SG 3.02Å; R968-L1082 HydrophobicContact CB-CD2 4.2Å; R968-L1082 HydrophobicContact CG-CD2 4.25Å; R968-W1086 HydrophobicContact CG-CH2 4.25Å; R968-W1086 HydrophobicContact CG-CZ3 4.1Å; R968-D1120 IonicContact CZ-OD1 2.85Å; R968-D1120 IonicContact NH2-OD1 3.96Å; R968-D1120 PolarHBondContact NH2-OD1 3.09Å; R968-D1123 IonicContact CZ-OD2 2.81Å; R968-D1123 IonicContact NH1-OD2 2.95Å; R968-D1123 IonicContact NH2-OD2 3.93Å; R968-D1123 PolarHBondContact NH2-OD2 3.49Å; R968-N1138 WeakPolarHBondContact CD-O 3.31Å; R968-N1138 PolarHBondContact NH1-O 3.11Å; R968-N1138 PolarHBondContact NH2-O 3Å; R968-E1139 WeakPolarHBondContact CB-O 3.42Å; R968-E1139 PolarHBondContact N-O 3.08Å |
| 969 | E | 47.2 | Very low | 50.6 | Low | 150.75 Ų | 150.75 | 107.5 Ų | 107.5 | 70% | 0.704 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -53.6 | -3.6 | -177.8 | -65.5 | -176.3 | 163.2 | 0 | 0 | 114 | N967 I971 T972 R1016 | N967-E969 PolarHBondContact O-N 2.88Å; N967-E969 VanDerWaalsContact O-N 3.1Å; E969-I971 PolarHBondContact O-N 3.25Å; E969-T972 WeakPolarHBondContact O-CG2 3.36Å; E969-T972 PolarHBondContact O-OG1 3.46Å; E969-R1016 IonicContact OE2-NH1 3.02Å |
| 970 | Q | 50.8 | Low | 50.3 | Low | 144.75 Ų | 144.75 | 106.2 Ų | 106.2 | 68% | 0.676 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -68.8 | 12.3 | 171.2 | -68.6 | -175.4 | -5.6 | 0 | 0 | 113.3 | N967 R968 T972 | N967-Q970 PolarHBondContact O-N 3.22Å; R968-Q970 PolarHBondContact O-N 3.08Å; R968-Q970 VanDerWaalsContact O-N 3.11Å; Q970-T972 VanDerWaalsContact C-N 3.3Å; Q970-T972 PolarHBondContact O-N 3.37Å |
| 971 | I | 49.2 | Very low | 50.2 | Low | 53.75 Ų | 53.75 | 103.7 Ų | 103.7 | 28% | 0.276 | 55% | 0.552 | S | S | . | * | trans | -95.5 | 16.5 | 174.3 | -59.2 | -175.3 | 0 | 0 | 0 | 110.8 | R968 E969 S973 R1016 P1018 W1086 | R968-I971 WeakPolarHBondContact O-CA 3.26Å; R968-I971 WeakPolarHBondContact O-CB 3.39Å; R968-I971 PolarHBondContact O-N 3.23Å; E969-I971 PolarHBondContact O-N 3.25Å; I971-S973 VanDerWaalsContact C-N 3.27Å; I971-S973 PolarHBondContact O-N 3.24Å; I971-S973 VanDerWaalsContact O-N 3.13Å; I971-R1016 WeakPolarHBondContact CG1-O 3.24Å; I971-P1018 HydrophobicContact CG2-CG 3.3Å; I971-W1086 HydrophobicContact CB-CE3 4.47Å; I971-W1086 HydrophobicContact CB-CH2 4.43Å; I971-W1086 HydrophobicContact CB-CZ3 4.29Å; I971-W1086 HydrophobicContact CD1-CB 3.78Å; I971-W1086 HydrophobicContact CD1-CD2 3.86Å; I971-W1086 HydrophobicContact CD1-CE3 3.77Å; I971-W1086 HydrophobicContact CD1-CG 3.55Å; I971-W1086 HydrophobicContact CD1-CH2 3.38Å; I971-W1086 VanDerWaalsContact CD1-CH2 3.45Å; I971-W1086 HydrophobicContact CD1-CZ2 3.73Å; I971-W1086 HydrophobicContact CD1-CZ3 3.76Å; I971-W1086 VanDerWaalsContact CD1-CZ3 3.42Å; I971-W1086 HydrophobicContact CG1-CD2 3.65Å; I971-W1086 HydrophobicContact CG1-CE3 3.75Å; I971-W1086 HydrophobicContact CG1-CG 4.16Å; I971-W1086 HydrophobicContact CG1-CH2 4.05Å; I971-W1086 HydrophobicContact CG1-CZ2 4.07Å; I971-W1086 HydrophobicContact CG1-CZ3 4.23Å | ||
| 972 | T | 41.3 | Very low | 50.4 | Low | 99.25 Ų | 99.25 | 108 Ų | 108 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | trans | -72.5 | 85.2 | -176.7 | 46 | 0 | 0 | 0 | 0 | 112.2 | E969 Q970 L974 | E969-T972 WeakPolarHBondContact O-CG2 3.36Å; E969-T972 PolarHBondContact O-OG1 3.46Å; Q970-T972 VanDerWaalsContact C-N 3.3Å; Q970-T972 PolarHBondContact O-N 3.37Å; T972-L974 PolarHBondContact O-N 2.88Å | ||
| 973 | S | 40.9 | Very low | 51.2 | Low | 107 Ų | 107 | 103.5 Ų | 103.5 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 39.2 | 159.1 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | I971 | I971-S973 VanDerWaalsContact C-N 3.27Å; I971-S973 PolarHBondContact O-N 3.24Å; I971-S973 VanDerWaalsContact O-N 3.13Å |
| 974 | L | 41.6 | Very low | 52.2 | Low | 111.25 Ų | 111.25 | 102.7 Ų | 102.7 | 58% | 0.582 | 54% | 0.539 | S | S | * | . | trans | -108.2 | 92.8 | 168.4 | -85.9 | 104.5 | 0 | 0 | 0 | 109.4 | T972 F976 | T972-L974 PolarHBondContact O-N 2.88Å; L974-F976 VanDerWaalsContact C-N 3.31Å; L974-F976 HydrophobicContact CB-CD2 3.61Å; L974-F976 VanDerWaalsContact CB-CD2 3.46Å; L974-F976 HydrophobicContact CB-CE1 4.45Å; L974-F976 HydrophobicContact CB-CE2 3.34Å; L974-F976 VanDerWaalsContact CB-CE2 3.46Å; L974-F976 HydrophobicContact CB-CG 4.3Å; L974-F976 HydrophobicContact CB-CZ 4.06Å; L974-F976 HydrophobicContact CD2-CD2 4.29Å; L974-F976 HydrophobicContact CD2-CE1 4.06Å; L974-F976 HydrophobicContact CD2-CE2 3.26Å; L974-F976 HydrophobicContact CD2-CZ 3.12Å; L974-F976 HydrophobicContact CG-CD2 4.47Å; L974-F976 HydrophobicContact CG-CE2 3.86Å; L974-F976 HydrophobicContact CG-CZ 4.16Å; L974-F976 WeakPolarHBondContact O-CD2 3.14Å; L974-F976 PolarHBondContact O-N 3.01Å | ||
| 975 | D | 38.8 | Very low | 53.3 | Low | 169.25 Ų | 169.25 | 106.8 Ų | 106.8 | 91% | 0.905 | 56% | 0.557 | S | S | * | * | trans | -56.2 | 95.3 | 161.7 | -84.4 | -27.7 | 0 | 0 | 0 | 109.2 | ||||
| 976 | F | 44.3 | Very low | 54.6 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.553 | 55% | 0.553 | S | S | * | * | trans | -106.3 | 105 | 172.2 | -74.6 | -64.6 | 0 | 0 | 0 | 109.6 | L974 R1017 | L974-F976 VanDerWaalsContact C-N 3.31Å; L974-F976 HydrophobicContact CB-CD2 3.61Å; L974-F976 VanDerWaalsContact CB-CD2 3.46Å; L974-F976 HydrophobicContact CB-CE1 4.45Å; L974-F976 HydrophobicContact CB-CE2 3.34Å; L974-F976 VanDerWaalsContact CB-CE2 3.46Å; L974-F976 HydrophobicContact CB-CG 4.3Å; L974-F976 HydrophobicContact CB-CZ 4.06Å; L974-F976 HydrophobicContact CD2-CD2 4.29Å; L974-F976 HydrophobicContact CD2-CE1 4.06Å; L974-F976 HydrophobicContact CD2-CE2 3.26Å; L974-F976 HydrophobicContact CD2-CZ 3.12Å; L974-F976 HydrophobicContact CG-CD2 4.47Å; L974-F976 HydrophobicContact CG-CE2 3.86Å; L974-F976 HydrophobicContact CG-CZ 4.16Å; L974-F976 WeakPolarHBondContact O-CD2 3.14Å; L974-F976 PolarHBondContact O-N 3.01Å; F976-R1017 VanDerWaalsContact CD2-NH2 3.26Å; F976-R1017 VanDerWaalsContact CE1-NH2 3.31Å | ||
| 977 | G | 45.5 | Very low | 56.2 | Low | 65.25 Ų | 65.25 | 103.3 Ų | 103.3 | 67% | 0.673 | 54% | 0.543 | S | S | * | . | trans | -59.4 | 151.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K979 | G977-K979 PolarHBondContact O-N 2.98Š| ||
| 978 | N | 46.6 | Very low | 57.8 | Low | 157.25 Ų | 157.25 | 100.2 Ų | 100.2 | 84% | 0.841 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -13.4 | 16.5 | 176.4 | -69.7 | -10.8 | 0 | 0 | 0 | 121.5 | L980 | N978-L980 VanDerWaalsContact C-N 3.3Å; N978-L980 PolarHBondContact O-N 3.33Å |
| 979 | K | 53 | Low | 59.5 | Low | 172.5 Ų | 172.5 | 100.7 Ų | 100.7 | 75% | 0.75 | 53% | 0.533 | S | S | * | . | trans | -91.8 | 54.7 | 169.7 | -69.8 | -169.8 | 176.6 | -172.2 | 0 | 111.4 | G977 L981 P983 | G977-K979 PolarHBondContact O-N 2.98Å; K979-L981 VanDerWaalsContact C-N 3.34Å; K979-L981 PolarHBondContact O-N 3.41Å; K979-P983 VanDerWaalsContact O-CD 3.23Å; K979-P983 WeakPolarHBondContact O-CD 3.38Å | ||
| 980 | L | 54 | Low | 61.5 | Low | 89.5 Ų | 89.5 | 95.6 Ų | 95.6 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | trans | -77 | -16.3 | -166.3 | -72.7 | 164.9 | 0 | 0 | 0 | 115.6 | N978 I984 V1019 | N978-L980 VanDerWaalsContact C-N 3.3Å; N978-L980 PolarHBondContact O-N 3.33Å; L980-I984 WeakPolarHBondContact O-CD1 3.4Å; L980-I984 WeakPolarHBondContact O-CG1 3.23Å; L980-V1019 HydrophobicContact CD2-CG1 4.33Å; L980-V1019 HydrophobicContact CD2-CG2 4.33Å | ||
| 981 | L | 57.6 | Low | 63.2 | Low | 134 Ų | 134 | 90 Ų | 90 | 70% | 0.702 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -82.9 | -43.5 | -172.2 | -82.9 | 147.3 | 0 | 0 | 0 | 114.5 | K979 P983 I984 E985 | K979-L981 VanDerWaalsContact C-N 3.34Å; K979-L981 PolarHBondContact O-N 3.41Å; L981-P983 VanDerWaalsContact C-CD 3.43Å; L981-P983 VanDerWaalsContact C-N 3.34Å; L981-I984 PolarHBondContact O-N 3.22Å; L981-I984 VanDerWaalsContact O-N 3.1Å; L981-E985 PolarHBondContact O-N 3.05Å |
| 982 | E | 60.1 | Low | 65 | Low | 138.5 Ų | 138.5 | 94.4 Ų | 94.4 | 65% | 0.647 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.4 | -42.5 | -178.4 | -79.2 | 176.7 | 167.5 | 0 | 0 | 113.8 | I984 E985 C986 | E982-I984 VanDerWaalsContact C-N 3.3Å; E982-I984 PolarHBondContact O-N 3.17Å; E982-E985 PolarHBondContact O-N 3.15Å; E982-C986 PolarHBondContact O-N 3.16Å; E982-C986 VanDerWaalsContact O-N 3.15Å; E982-C986 PolarHBondContact O-SG 2.9Å |
| 983 | P | 74.4 | Confident | 67.1 | Low | 31 Ų | 31 | 92.7 Ų | 92.7 | 20% | 0.201 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.1 | -27.5 | 179.4 | -22.1 | 34.9 | 0 | 0 | 0 | 114.1 | K979 L981 L987 L1020 | K979-P983 VanDerWaalsContact O-CD 3.23Å; K979-P983 WeakPolarHBondContact O-CD 3.38Å; L981-P983 VanDerWaalsContact C-CD 3.43Å; L981-P983 VanDerWaalsContact C-N 3.34Å; P983-L987 WeakPolarHBondContact O-CB 3.39Å; P983-L987 PolarHBondContact O-N 3.15Å; P983-L1020 HydrophobicContact CB-CD1 4.04Å; P983-L1020 HydrophobicContact CB-CD2 3.99Å |
| 984 | I | 79.3 | Confident | 69.2 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 21% | 0.21 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -72.1 | -43.2 | 178.7 | -64.3 | 170.6 | 0 | 0 | 0 | 110.1 | L980 L981 E982 C986 L987 I988 L1020 A1023 | L980-I984 WeakPolarHBondContact O-CD1 3.4Å; L980-I984 WeakPolarHBondContact O-CG1 3.23Å; L981-I984 PolarHBondContact O-N 3.22Å; L981-I984 VanDerWaalsContact O-N 3.1Å; E982-I984 VanDerWaalsContact C-N 3.3Å; E982-I984 PolarHBondContact O-N 3.17Å; I984-C986 VanDerWaalsContact C-N 3.34Å; I984-C986 PolarHBondContact O-N 3.3Å; I984-L987 WeakPolarHBondContact O-CB 3.26Å; I984-L987 PolarHBondContact O-N 3.36Å; I984-I988 HydrophobicContact CG2-CD1 3.94Å; I984-I988 HydrophobicContact CG2-CG1 4.48Å; I984-I988 VanDerWaalsContact O-CG1 3.3Å; I984-I988 WeakPolarHBondContact O-CG1 3.09Å; I984-I988 PolarHBondContact O-N 3.25Å; I984-L1020 HydrophobicContact CB-CD2 4.47Å; I984-L1020 HydrophobicContact CG1-CD2 3.66Å; I984-A1023 HydrophobicContact CD1-CB 4.44Å; I984-A1023 HydrophobicContact CG1-CB 4.21Å; I984-A1023 HydrophobicContact CG2-CB 4.07Å |
| 985 | E | 82.9 | Confident | 71.1 | Confident | 117.5 Ų | 117.5 | 84.9 Ų | 84.9 | 55% | 0.549 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.2 | -69 | -176.9 | 178.7 | 0 | 0 | 111.6 | L981 E982 L987 I988 Q989 | L981-E985 PolarHBondContact O-N 3.05Å; E982-E985 PolarHBondContact O-N 3.15Å; E985-L987 PolarHBondContact O-N 3.02Å; E985-I988 PolarHBondContact O-N 3.09Å; E985-Q989 WeakPolarHBondContact O-CG 3.37Å; E985-Q989 PolarHBondContact O-N 3.11Å |
| 986 | C | 84.2 | Confident | 73.2 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | E982 I984 I988 Q989 M990 F1014 | E982-C986 PolarHBondContact O-N 3.16Å; E982-C986 VanDerWaalsContact O-N 3.15Å; E982-C986 PolarHBondContact O-SG 2.9Å; I984-C986 VanDerWaalsContact C-N 3.34Å; I984-C986 PolarHBondContact O-N 3.3Å; C986-I988 PolarHBondContact O-N 3.17Å; C986-Q989 PolarHBondContact O-N 3.13Å; C986-M990 VanDerWaalsContact O-CG 3.29Å; C986-M990 WeakPolarHBondContact O-CG 3.32Å; C986-M990 PolarHBondContact O-N 3.02Å; C986-F1014 HydrophobicContact CB-CE2 4.31Å; C986-F1014 HydrophobicContact CB-CZ 4.2Å |
| 987 | L | 86.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.5 | 174.9 | 69.5 | 0 | 0 | 0 | 111.6 | P983 I984 E985 Q989 M990 M991 V1011 F1014 L1020 A1023 W1024 | P983-L987 WeakPolarHBondContact O-CB 3.39Å; P983-L987 PolarHBondContact O-N 3.15Å; I984-L987 WeakPolarHBondContact O-CB 3.26Å; I984-L987 PolarHBondContact O-N 3.36Å; E985-L987 PolarHBondContact O-N 3.02Å; L987-Q989 VanDerWaalsContact C-N 3.34Å; L987-Q989 PolarHBondContact O-N 3.31Å; L987-M990 PolarHBondContact O-N 3.08Å; L987-M991 HydrophobicContact CG-SD 4.28Å; L987-M991 WeakPolarHBondContact O-CG 3.39Å; L987-M991 PolarHBondContact O-N 3.26Å; L987-V1011 HydrophobicContact CD1-CG1 4.28Å; L987-V1011 HydrophobicContact CD1-CG2 4.3Å; L987-F1014 HydrophobicContact CB-CD2 4.22Å; L987-F1014 HydrophobicContact CD1-CB 3.96Å; L987-F1014 HydrophobicContact CD1-CD2 4Å; L987-F1014 HydrophobicContact CD1-CG 4.43Å; L987-L1020 HydrophobicContact CD2-CB 4.26Å; L987-L1020 HydrophobicContact CD2-CD2 4.38Å; L987-L1020 VanDerWaalsContact CD2-O 3.31Å; L987-L1020 WeakPolarHBondContact CD2-O 3.42Å; L987-A1023 HydrophobicContact CD2-CB 4.08Å; L987-W1024 HydrophobicContact CD2-CB 4.03Å |
| 988 | I | 85.3 | Confident | 76.2 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.3 | -64.2 | 162.7 | 0 | 0 | 0 | 110.8 | I984 E985 C986 M991 K992 H1027 | I984-I988 HydrophobicContact CG2-CD1 3.94Å; I984-I988 HydrophobicContact CG2-CG1 4.48Å; I984-I988 VanDerWaalsContact O-CG1 3.3Å; I984-I988 WeakPolarHBondContact O-CG1 3.09Å; I984-I988 PolarHBondContact O-N 3.25Å; E985-I988 PolarHBondContact O-N 3.09Å; C986-I988 PolarHBondContact O-N 3.17Å; I988-M991 PolarHBondContact O-N 3.26Å; I988-K992 HydrophobicContact CG2-CD 4.47Å; I988-K992 WeakPolarHBondContact O-CG 3.32Å; I988-K992 PolarHBondContact O-N 3.12Å; I988-H1027 VanDerWaalsContact CD1-NE2 3.3Å; I988-H1027 WeakPolarHBondContact CD1-NE2 3.33Å |
| 989 | Q | 86.6 | Confident | 77.8 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.3 | -72.6 | 177.7 | 14.8 | 0 | 0 | 111.4 | E985 C986 L987 M991 K992 L993 | E985-Q989 WeakPolarHBondContact O-CG 3.37Å; E985-Q989 PolarHBondContact O-N 3.11Å; C986-Q989 PolarHBondContact O-N 3.13Å; L987-Q989 VanDerWaalsContact C-N 3.34Å; L987-Q989 PolarHBondContact O-N 3.31Å; Q989-M991 PolarHBondContact O-N 3.13Å; Q989-K992 PolarHBondContact O-N 3.04Å; Q989-L993 WeakPolarHBondContact O-CG 3.36Å; Q989-L993 PolarHBondContact O-N 3.05Å |
| 990 | M | 87.9 | Confident | 79.1 | Confident | 44.75 Ų | 44.75 | 75.7 Ų | 75.7 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.5 | -64.4 | -60.1 | 136.5 | 0 | 0 | 112.2 | C986 L987 K992 L993 L994 A1007 Q1010 V1011 F1014 | C986-M990 VanDerWaalsContact O-CG 3.29Å; C986-M990 WeakPolarHBondContact O-CG 3.32Å; C986-M990 PolarHBondContact O-N 3.02Å; L987-M990 PolarHBondContact O-N 3.08Å; M990-K992 VanDerWaalsContact C-N 3.34Å; M990-K992 PolarHBondContact O-N 3.09Å; M990-L993 HydrophobicContact CE-CD1 4.11Å; M990-L993 PolarHBondContact O-N 3.29Å; M990-L993 HydrophobicContact SD-CD1 3.95Å; M990-L994 WeakPolarHBondContact O-CB 3.43Å; M990-L994 PolarHBondContact O-N 3.31Å; M990-A1007 HydrophobicContact CB-CB 4.47Å; M990-A1007 HydrophobicContact SD-CB 4.24Å; M990-Q1010 HydrophobicContact CG-CB 4.14Å; M990-Q1010 HydrophobicContact SD-CB 4.3Å; M990-Q1010 HydrophobicContact SD-CG 4.45Å; M990-V1011 HydrophobicContact CB-CG2 3.86Å; M990-F1014 HydrophobicContact CG-CE2 4.27Å |
| 991 | M | 87.8 | Confident | 80.5 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 173.9 | -71 | 176.9 | 70.4 | 0 | 0 | 112.1 | L987 I988 Q989 L994 A995 V1011 W1024 H1027 | L987-M991 HydrophobicContact CG-SD 4.28Å; L987-M991 WeakPolarHBondContact O-CG 3.39Å; L987-M991 PolarHBondContact O-N 3.26Å; I988-M991 PolarHBondContact O-N 3.26Å; Q989-M991 PolarHBondContact O-N 3.13Å; M991-L994 WeakPolarHBondContact O-CB 3.42Å; M991-L994 PolarHBondContact O-N 3.33Å; M991-A995 WeakPolarHBondContact O-CB 3.47Å; M991-A995 PolarHBondContact O-N 3.29Å; M991-A995 VanDerWaalsContact O-N 3.08Å; M991-V1011 HydrophobicContact CG-CG2 4.45Å; M991-W1024 HydrophobicContact CE-CG 4.49Å; M991-W1024 VanDerWaalsContact SD-CD1 3.55Å; M991-W1024 HydrophobicContact SD-CG 4.32Å; M991-H1027 HydrophobicContact CE-CB 4.06Å; M991-H1027 VanDerWaalsContact CE-O 3.28Å; M991-H1027 WeakPolarHBondContact CE-O 3.17Å; M991-H1027 HydrophobicContact SD-CB 4.23Å |
| 992 | K | 86 | Confident | 81.7 | Confident | 146.25 Ų | 146.25 | 72 Ų | 72 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 174.2 | -72.6 | 176.7 | -180 | -179.2 | 0 | 112 | I988 Q989 M990 L994 A995 D996 | I988-K992 HydrophobicContact CG2-CD 4.47Å; I988-K992 WeakPolarHBondContact O-CG 3.32Å; I988-K992 PolarHBondContact O-N 3.12Å; Q989-K992 PolarHBondContact O-N 3.04Å; M990-K992 VanDerWaalsContact C-N 3.34Å; M990-K992 PolarHBondContact O-N 3.09Å; K992-L994 PolarHBondContact O-N 3.14Å; K992-A995 PolarHBondContact O-N 3.12Å; K992-D996 PolarHBondContact O-N 3.1Å; K992-D996 VanDerWaalsContact O-N 3.15Å |
| 993 | L | 85.7 | Confident | 82.8 | Confident | 63.75 Ų | 63.75 | 67.3 Ų | 67.3 | 33% | 0.334 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -31.9 | 175.3 | -69.5 | 172.9 | 0 | 0 | 0 | 112.1 | Q989 M990 I999 A1007 | Q989-L993 WeakPolarHBondContact O-CG 3.36Å; Q989-L993 PolarHBondContact O-N 3.05Å; M990-L993 HydrophobicContact CE-CD1 4.11Å; M990-L993 PolarHBondContact O-N 3.29Å; M990-L993 HydrophobicContact SD-CD1 3.95Å; L993-I999 HydrophobicContact CB-CD1 4.3Å; L993-I999 HydrophobicContact CD2-CD1 3.48Å; L993-I999 VanDerWaalsContact CD2-CD1 3.48Å; L993-I999 HydrophobicContact CG-CD1 4.47Å; L993-A1007 HydrophobicContact CB-CB 4.05Å |
| 994 | L | 84.5 | Confident | 83.4 | Confident | 3.25 Ų | 3.25 | 66.5 Ų | 66.5 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 178.2 | -178.4 | 57.8 | 0 | 0 | 0 | 113 | M990 M991 K992 R1004 I1008 F1032 M1076 | M990-L994 WeakPolarHBondContact O-CB 3.43Å; M990-L994 PolarHBondContact O-N 3.31Å; M991-L994 WeakPolarHBondContact O-CB 3.42Å; M991-L994 PolarHBondContact O-N 3.33Å; K992-L994 PolarHBondContact O-N 3.14Å; L994-R1004 PolarHBondContact O-NE 3.15Å; L994-R1004 PolarHBondContact O-NH2 3.08Å; L994-R1004 VanDerWaalsContact O-NH2 3.1Å; L994-I1008 HydrophobicContact CD1-CB 4.43Å; L994-I1008 HydrophobicContact CD1-CD1 3.58Å; L994-I1008 HydrophobicContact CD1-CG1 3.11Å; L994-I1008 HydrophobicContact CD2-CG1 3.96Å; L994-I1008 HydrophobicContact CG-CG1 4.13Å; L994-F1032 HydrophobicContact CD2-CD1 4.33Å; L994-F1032 HydrophobicContact CD2-CE1 3.5Å; L994-F1032 HydrophobicContact CD2-CZ 3.94Å; L994-F1032 HydrophobicContact CG-CE1 3.85Å; L994-F1032 HydrophobicContact CG-CZ 3.74Å; L994-M1076 HydrophobicContact CD1-CE 3.58Å; L994-M1076 HydrophobicContact CD2-CE 4.03Å; L994-M1076 HydrophobicContact CD2-SD 4.35Å; L994-M1076 HydrophobicContact CG-CE 3.97Å |
| 995 | A | 82.6 | Confident | 83.6 | Confident | 51.5 Ų | 51.5 | 68.1 Ų | 68.1 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.2 | -20.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M991 K992 D997 F1032 | M991-A995 WeakPolarHBondContact O-CB 3.47Å; M991-A995 PolarHBondContact O-N 3.29Å; M991-A995 VanDerWaalsContact O-N 3.08Å; K992-A995 PolarHBondContact O-N 3.12Å; A995-D997 PolarHBondContact O-N 3.29Å; A995-F1032 HydrophobicContact CB-CD2 4.28Å; A995-F1032 HydrophobicContact CB-CE2 3.84Å |
| 996 | D | 82.5 | Confident | 83.7 | Confident | 72.75 Ų | 72.75 | 64.7 Ų | 64.7 | 39% | 0.389 | 35% | 0.348 | S | S | . | . | trans | -81.3 | 108.5 | -180 | -172.4 | -6.8 | 0 | 0 | 0 | 111.7 | K992 Q998 I999 | K992-D996 PolarHBondContact O-N 3.1Å; K992-D996 VanDerWaalsContact O-N 3.15Å; D996-Q998 PolarHBondContact O-N 3.27Å; D996-Q998 WeakPolarHBondContact OD1-CB 3.39Å; D996-Q998 PolarHBondContact OD1-N 3.23Å; D996-I999 HydrophobicContact CB-CD1 3.6Å; D996-I999 HydrophobicContact CB-CG1 3.83Å; D996-I999 PolarHBondContact O-N 3.19Å | ||
| 997 | D | 74.6 | Confident | 83.9 | Confident | 97.5 Ų | 97.5 | 62.2 Ų | 62.2 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.7 | -179.9 | -73.1 | -34.5 | 0 | 0 | 0 | 114.2 | A995 I999 R1004 | A995-D997 PolarHBondContact O-N 3.29Å; D997-I999 VanDerWaalsContact C-N 3.31Å; D997-R1004 IonicContact OD1-CZ 3.09Å; D997-R1004 VanDerWaalsContact OD1-CZ 3.29Å; D997-R1004 IonicContact OD1-NH1 3.13Å; D997-R1004 PolarHBondContact OD1-NH1 3.18Å; D997-R1004 IonicContact OD1-NH2 3.03Å; D997-R1004 PolarHBondContact OD1-NH2 3.13Å; D997-R1004 VanDerWaalsContact OD1-NH2 3.12Å |
| 998 | Q | 78.3 | Confident | 84 | Confident | 174.75 Ų | 174.75 | 62.2 Ų | 62.2 | 82% | 0.817 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -12.4 | 178.3 | -58.8 | -62.1 | -36 | 0 | 0 | 113 | D996 | D996-Q998 PolarHBondContact O-N 3.27Å; D996-Q998 WeakPolarHBondContact OD1-CB 3.39Å; D996-Q998 PolarHBondContact OD1-N 3.23Å |
| 999 | I | 79.1 | Confident | 84.1 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -79.6 | 144.8 | -175 | -63.9 | -176.9 | 0 | 0 | 0 | 111.1 | L993 D996 D997 L1001 A1003 R1004 | L993-I999 HydrophobicContact CB-CD1 4.3Å; L993-I999 HydrophobicContact CD2-CD1 3.48Å; L993-I999 VanDerWaalsContact CD2-CD1 3.48Å; L993-I999 HydrophobicContact CG-CD1 4.47Å; D996-I999 HydrophobicContact CB-CD1 3.6Å; D996-I999 HydrophobicContact CB-CG1 3.83Å; D996-I999 PolarHBondContact O-N 3.19Å; D997-I999 VanDerWaalsContact C-N 3.31Å; I999-L1001 PolarHBondContact O-N 3.21Å; I999-A1003 HydrophobicContact CG2-CB 3.62Å; I999-R1004 HydrophobicContact CB-CG 4.26Å; I999-R1004 HydrophobicContact CG2-CG 4.23Å |
| 1000 | N | 81.9 | Confident | 84 | Confident | 109.75 Ų | 109.75 | 62.1 Ų | 62.1 | 59% | 0.587 | 33% | 0.33 | S | S | * | . | trans | -53.1 | 134.9 | 175.2 | -170.5 | -6.1 | 0 | 0 | 0 | 111.3 | T1002 A1003 R1004 | N1000-T1002 PolarHBondContact ND2-OG1 3.01Å; N1000-T1002 PolarHBondContact O-N 3.36Å; N1000-T1002 VanDerWaalsContact O-N 3.11Å; N1000-T1002 PolarHBondContact OD1-N 3.19Å; N1000-T1002 PolarHBondContact OD1-OG1 3.12Å; N1000-A1003 WeakPolarHBondContact O-CB 3.36Å; N1000-A1003 PolarHBondContact O-N 3.03Å; N1000-R1004 PolarHBondContact O-N 3.11Å; N1000-R1004 VanDerWaalsContact O-N 3.15Å | ||
| 1001 | L | 81.4 | Confident | 84 | Confident | 46.8 Ų | 46.8 | 60 Ų | 60 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.1 | -35.4 | -178.3 | -175.3 | 62.2 | 0 | 0 | 0 | 113.4 | I999 A1003 R1004 K1005 L1071 L1072 | I999-L1001 PolarHBondContact O-N 3.21Å; L1001-A1003 VanDerWaalsContact C-N 3.35Å; L1001-A1003 PolarHBondContact O-N 3.26Å; L1001-R1004 PolarHBondContact O-N 3.01Å; L1001-K1005 WeakPolarHBondContact O-CB 3.37Å; L1001-K1005 PolarHBondContact O-N 3.31Å; L1001-L1071 HydrophobicContact CD1-CB 4.48Å; L1001-L1071 HydrophobicContact CD2-CB 4.15Å; L1001-L1071 HydrophobicContact CD2-CD1 3.35Å; L1001-L1071 HydrophobicContact CD2-CD2 3.82Å; L1001-L1071 HydrophobicContact CD2-CG 4.36Å; L1001-L1071 HydrophobicContact CG-CD1 4.46Å; L1001-L1071 HydrophobicContact CG-CD2 4Å; L1001-L1072 HydrophobicContact CD1-CD1 3.91Å; L1001-L1072 HydrophobicContact CD1-CD2 4.09Å; L1001-L1072 HydrophobicContact CD1-CG 3.85Å |
| 1002 | T | 82.8 | Confident | 83.9 | Confident | 98.2 Ų | 98.2 | 59.3 Ų | 59.3 | 60% | 0.602 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.7 | -37.8 | 176.8 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | N1000 A1006 | N1000-T1002 PolarHBondContact ND2-OG1 3.01Å; N1000-T1002 PolarHBondContact O-N 3.36Å; N1000-T1002 VanDerWaalsContact O-N 3.11Å; N1000-T1002 PolarHBondContact OD1-N 3.19Å; N1000-T1002 PolarHBondContact OD1-OG1 3.12Å; T1002-A1006 WeakPolarHBondContact O-CB 3.32Å; T1002-A1006 PolarHBondContact O-N 3.26Å |
| 1003 | A | 83.7 | Confident | 83.7 | Confident | 40.4 Ų | 40.4 | 56.6 Ų | 56.6 | 33% | 0.334 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73.5 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I999 N1000 L1001 K1005 A1006 A1007 | I999-A1003 HydrophobicContact CG2-CB 3.62Å; N1000-A1003 WeakPolarHBondContact O-CB 3.36Å; N1000-A1003 PolarHBondContact O-N 3.03Å; L1001-A1003 VanDerWaalsContact C-N 3.35Å; L1001-A1003 PolarHBondContact O-N 3.26Å; A1003-K1005 VanDerWaalsContact C-N 3.35Å; A1003-A1006 PolarHBondContact O-N 3.28Å; A1003-A1007 WeakPolarHBondContact O-CB 3.31Å; A1003-A1007 PolarHBondContact O-N 3.01Å |
| 1004 | R | 86.4 | Confident | 83.6 | Confident | 13.6 Ų | 13.6 | 55.2 Ų | 55.2 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 172.2 | -68.7 | -176.4 | 70.3 | 172.7 | 10.9 | 111.7 | L994 D997 I999 N1000 L1001 A1006 A1007 I1008 L1072 | L994-R1004 PolarHBondContact O-NE 3.15Å; L994-R1004 PolarHBondContact O-NH2 3.08Å; L994-R1004 VanDerWaalsContact O-NH2 3.1Å; D997-R1004 IonicContact OD1-CZ 3.09Å; D997-R1004 VanDerWaalsContact OD1-CZ 3.29Å; D997-R1004 IonicContact OD1-NH1 3.13Å; D997-R1004 PolarHBondContact OD1-NH1 3.18Å; D997-R1004 IonicContact OD1-NH2 3.03Å; D997-R1004 PolarHBondContact OD1-NH2 3.13Å; D997-R1004 VanDerWaalsContact OD1-NH2 3.12Å; I999-R1004 HydrophobicContact CB-CG 4.26Å; I999-R1004 HydrophobicContact CG2-CG 4.23Å; N1000-R1004 PolarHBondContact O-N 3.11Å; N1000-R1004 VanDerWaalsContact O-N 3.15Å; L1001-R1004 PolarHBondContact O-N 3.01Å; R1004-A1006 PolarHBondContact O-N 2.87Å; R1004-A1007 WeakPolarHBondContact O-CB 3.4Å; R1004-A1007 PolarHBondContact O-N 3.21Å; R1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; R1004-I1008 PolarHBondContact O-N 2.9Å; R1004-L1072 HydrophobicContact CB-CD1 4.4Å; R1004-L1072 HydrophobicContact CB-CD2 4.21Å |
| 1005 | K | 84.3 | Confident | 83.5 | Confident | 74.6 Ų | 74.6 | 55.3 Ų | 55.3 | 32% | 0.324 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.7 | -50.4 | 175.1 | -177.3 | -177.6 | 177.2 | 176.3 | 0 | 111.5 | L1001 A1003 A1007 I1008 E1009 L1071 L1072 Y1075 | L1001-K1005 WeakPolarHBondContact O-CB 3.37Å; L1001-K1005 PolarHBondContact O-N 3.31Å; A1003-K1005 VanDerWaalsContact C-N 3.35Å; K1005-A1007 VanDerWaalsContact C-N 3.29Å; K1005-A1007 PolarHBondContact O-N 3.2Å; K1005-I1008 PolarHBondContact O-N 2.98Å; K1005-E1009 VanDerWaalsContact CE-OE1 3.32Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.38Å; K1005-E1009 WeakPolarHBondContact O-CG 3.36Å; K1005-E1009 PolarHBondContact O-N 3.2Å; K1005-E1009 VanDerWaalsContact O-N 3.12Å; K1005-L1071 HydrophobicContact CD-CD2 4.06Å; K1005-L1072 HydrophobicContact CB-CD2 4.22Å; K1005-Y1075 HydrophobicContact CD-CE2 4.39Å; K1005-Y1075 VanDerWaalsContact CE-CZ 3.47Å; K1005-Y1075 WeakPolarHBondContact CE-OH 3.33Å; K1005-Y1075 HydrophobicContact CG-CE2 4.22Å; K1005-Y1075 PolarHBondContact NZ-OH 3.1Å |
| 1006 | A | 86.1 | Confident | 83.3 | Confident | 45.8 Ų | 45.8 | 57.8 Ų | 57.8 | 38% | 0.379 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T1002 A1003 R1004 E1009 Q1010 | T1002-A1006 WeakPolarHBondContact O-CB 3.32Å; T1002-A1006 PolarHBondContact O-N 3.26Å; A1003-A1006 PolarHBondContact O-N 3.28Å; R1004-A1006 PolarHBondContact O-N 2.87Å; A1006-E1009 PolarHBondContact O-N 3.09Å; A1006-Q1010 VanDerWaalsContact O-CG 3.31Å; A1006-Q1010 WeakPolarHBondContact O-CG 3.3Å; A1006-Q1010 PolarHBondContact O-N 3.13Å |
| 1007 | A | 88.6 | Confident | 83.1 | Confident | 1.2 Ų | 1.2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M990 L993 A1003 R1004 K1005 E1009 Q1010 V1011 | M990-A1007 HydrophobicContact CB-CB 4.47Å; M990-A1007 HydrophobicContact SD-CB 4.24Å; L993-A1007 HydrophobicContact CB-CB 4.05Å; A1003-A1007 WeakPolarHBondContact O-CB 3.31Å; A1003-A1007 PolarHBondContact O-N 3.01Å; R1004-A1007 WeakPolarHBondContact O-CB 3.4Å; R1004-A1007 PolarHBondContact O-N 3.21Å; K1005-A1007 VanDerWaalsContact C-N 3.29Å; K1005-A1007 PolarHBondContact O-N 3.2Å; A1007-E1009 PolarHBondContact O-N 3.13Å; A1007-Q1010 PolarHBondContact O-N 3.33Å; A1007-V1011 VanDerWaalsContact O-CG2 3.31Å; A1007-V1011 WeakPolarHBondContact O-CG2 3.31Å; A1007-V1011 PolarHBondContact O-N 3.16Å |
| 1008 | I | 87.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.4 | -57.4 | 166.9 | 0 | 0 | 0 | 111 | L994 R1004 K1005 Q1010 V1011 I1012 L1072 M1076 L1079 | L994-I1008 HydrophobicContact CD1-CB 4.43Å; L994-I1008 HydrophobicContact CD1-CD1 3.58Å; L994-I1008 HydrophobicContact CD1-CG1 3.11Å; L994-I1008 HydrophobicContact CD2-CG1 3.96Å; L994-I1008 HydrophobicContact CG-CG1 4.13Å; R1004-I1008 WeakPolarHBondContact O-CG1 3.41Å; R1004-I1008 PolarHBondContact O-N 2.9Å; K1005-I1008 PolarHBondContact O-N 2.98Å; I1008-Q1010 VanDerWaalsContact C-N 3.27Å; I1008-Q1010 PolarHBondContact O-N 3.24Å; I1008-V1011 PolarHBondContact O-N 3.04Å; I1008-V1011 VanDerWaalsContact O-N 3.1Å; I1008-I1012 HydrophobicContact CG2-CD1 3.76Å; I1008-I1012 HydrophobicContact CG2-CG1 4.17Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; I1008-I1012 PolarHBondContact O-N 3.08Å; I1008-L1072 HydrophobicContact CD1-CB 4.19Å; I1008-L1072 HydrophobicContact CD1-CD2 3.64Å; I1008-L1072 VanDerWaalsContact CD1-CD2 3.5Å; I1008-L1072 HydrophobicContact CD1-CG 4.39Å; I1008-M1076 HydrophobicContact CD1-CE 3.7Å; I1008-M1076 HydrophobicContact CD1-CG 4.17Å; I1008-M1076 HydrophobicContact CD1-SD 3.8Å; I1008-M1076 HydrophobicContact CG1-CE 4.26Å; I1008-M1076 HydrophobicContact CG1-SD 4.26Å; I1008-M1076 HydrophobicContact CG2-SD 4.35Å; I1008-L1079 HydrophobicContact CG2-CD2 4.45Å |
| 1009 | E | 86.6 | Confident | 83.3 | Confident | 71.4 Ų | 71.4 | 53.9 Ų | 53.9 | 33% | 0.334 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 177.8 | -72.9 | 177.4 | 174.1 | 0 | 0 | 111.1 | K1005 A1006 A1007 I1012 I1013 Y1075 | K1005-E1009 VanDerWaalsContact CE-OE1 3.32Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.38Å; K1005-E1009 WeakPolarHBondContact O-CG 3.36Å; K1005-E1009 PolarHBondContact O-N 3.2Å; K1005-E1009 VanDerWaalsContact O-N 3.12Å; A1006-E1009 PolarHBondContact O-N 3.09Å; A1007-E1009 PolarHBondContact O-N 3.13Å; E1009-I1012 PolarHBondContact O-N 3.29Å; E1009-I1013 WeakPolarHBondContact O-CD1 3.34Å; E1009-I1013 VanDerWaalsContact O-CG1 3.29Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; E1009-I1013 PolarHBondContact O-N 3.15Å; E1009-I1013 VanDerWaalsContact O-N 3.13Å; E1009-Y1075 HydrophobicContact CG-CD1 3.91Å; E1009-Y1075 HydrophobicContact CG-CE1 3.56Å; E1009-Y1075 VanDerWaalsContact OE1-CE1 3.26Å; E1009-Y1075 WeakPolarHBondContact OE1-CE1 3.38Å; E1009-Y1075 VanDerWaalsContact OE1-CZ 3.28Å; E1009-Y1075 PolarHBondContact OE1-OH 3.08Å |
| 1010 | Q | 86 | Confident | 83.5 | Confident | 79.4 Ų | 79.4 | 52.2 Ų | 52.2 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 174 | -67.5 | -54.6 | -49.8 | 0 | 0 | 112.9 | M990 A1006 A1007 I1008 I1012 I1013 F1014 | M990-Q1010 HydrophobicContact CG-CB 4.14Å; M990-Q1010 HydrophobicContact SD-CB 4.3Å; M990-Q1010 HydrophobicContact SD-CG 4.45Å; A1006-Q1010 VanDerWaalsContact O-CG 3.31Å; A1006-Q1010 WeakPolarHBondContact O-CG 3.3Å; A1006-Q1010 PolarHBondContact O-N 3.13Å; A1007-Q1010 PolarHBondContact O-N 3.33Å; I1008-Q1010 VanDerWaalsContact C-N 3.27Å; I1008-Q1010 PolarHBondContact O-N 3.24Å; Q1010-I1012 VanDerWaalsContact C-N 3.34Å; Q1010-I1012 PolarHBondContact O-N 3.17Å; Q1010-I1013 WeakPolarHBondContact O-CB 3.4Å; Q1010-I1013 PolarHBondContact O-N 3.31Å; Q1010-I1013 VanDerWaalsContact O-N 3.15Å; Q1010-F1014 HydrophobicContact CB-CD2 4.46Å; Q1010-F1014 HydrophobicContact CB-CE2 4.24Å; Q1010-F1014 VanDerWaalsContact O-CD2 3.27Å; Q1010-F1014 WeakPolarHBondContact O-CD2 3.4Å; Q1010-F1014 VanDerWaalsContact O-CG 3.3Å; Q1010-F1014 WeakPolarHBondContact O-CG 3.39Å; Q1010-F1014 PolarHBondContact O-N 3.19Å |
| 1011 | V | 87.9 | Confident | 83.6 | Confident | 0.2 Ų | 0.2 | 47.6 Ų | 47.6 | 0% | 0.001 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | L987 M990 M991 A1007 I1008 I1013 F1014 I1015 L1079 | L987-V1011 HydrophobicContact CD1-CG1 4.28Å; L987-V1011 HydrophobicContact CD1-CG2 4.3Å; M990-V1011 HydrophobicContact CB-CG2 3.86Å; M991-V1011 HydrophobicContact CG-CG2 4.45Å; A1007-V1011 VanDerWaalsContact O-CG2 3.31Å; A1007-V1011 WeakPolarHBondContact O-CG2 3.31Å; A1007-V1011 PolarHBondContact O-N 3.16Å; I1008-V1011 PolarHBondContact O-N 3.04Å; I1008-V1011 VanDerWaalsContact O-N 3.1Å; V1011-I1013 VanDerWaalsContact C-N 3.26Å; V1011-I1013 PolarHBondContact O-N 3.29Å; V1011-F1014 PolarHBondContact O-N 3.05Å; V1011-F1014 VanDerWaalsContact O-N 3.09Å; V1011-I1015 HydrophobicContact CG1-CG2 4.1Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; V1011-I1015 WeakPolarHBondContact O-CG2 3.29Å; V1011-I1015 PolarHBondContact O-N 3.22Å; V1011-L1079 HydrophobicContact CG1-CD1 3.87Å; V1011-L1079 HydrophobicContact CG1-CD2 4.03Å |
| 1012 | I | 85.3 | Confident | 83.8 | Confident | 12.2 Ų | 12.2 | 47.6 Ų | 47.6 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.3 | -41 | 176.3 | -71.8 | 165.8 | 0 | 0 | 0 | 111.2 | I1008 E1009 Q1010 I1015 R1016 Y1075 L1079 L1082 | I1008-I1012 HydrophobicContact CG2-CD1 3.76Å; I1008-I1012 HydrophobicContact CG2-CG1 4.17Å; I1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; I1008-I1012 PolarHBondContact O-N 3.08Å; E1009-I1012 PolarHBondContact O-N 3.29Å; Q1010-I1012 VanDerWaalsContact C-N 3.34Å; Q1010-I1012 PolarHBondContact O-N 3.17Å; I1012-I1015 VanDerWaalsContact O-CG1 3.29Å; I1012-I1015 WeakPolarHBondContact O-CG1 3.34Å; I1012-R1016 WeakPolarHBondContact O-CG 3.3Å; I1012-Y1075 HydrophobicContact CD1-CD1 4.22Å; I1012-L1079 HydrophobicContact CD1-CB 4.45Å; I1012-L1079 HydrophobicContact CG1-CB 4.12Å; I1012-L1079 HydrophobicContact CG1-CD1 3.97Å; I1012-L1082 HydrophobicContact CG2-CD1 3.78Å |
| 1013 | I | 81.8 | Confident | 83.9 | Confident | 89.4 Ų | 89.4 | 43.4 Ų | 43.4 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 176.7 | -67.2 | 163.7 | 0 | 0 | 0 | 110.8 | E1009 Q1010 V1011 R1016 | E1009-I1013 WeakPolarHBondContact O-CD1 3.34Å; E1009-I1013 VanDerWaalsContact O-CG1 3.29Å; E1009-I1013 WeakPolarHBondContact O-CG1 3.38Å; E1009-I1013 PolarHBondContact O-N 3.15Å; E1009-I1013 VanDerWaalsContact O-N 3.13Å; Q1010-I1013 WeakPolarHBondContact O-CB 3.4Å; Q1010-I1013 PolarHBondContact O-N 3.31Å; Q1010-I1013 VanDerWaalsContact O-N 3.15Å; V1011-I1013 VanDerWaalsContact C-N 3.26Å; V1011-I1013 PolarHBondContact O-N 3.29Å; I1013-R1016 WeakPolarHBondContact O-CB 3.43Å; I1013-R1016 PolarHBondContact O-N 3.45Å |
| 1014 | F | 83.8 | Confident | 84.1 | Confident | 35 Ų | 35 | 41.7 Ų | 41.7 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -44.9 | -178.1 | -72.1 | -38.1 | 0 | 0 | 0 | 113.2 | C986 L987 M990 Q1010 V1011 R1016 R1017 L1020 | C986-F1014 HydrophobicContact CB-CE2 4.31Å; C986-F1014 HydrophobicContact CB-CZ 4.2Å; L987-F1014 HydrophobicContact CB-CD2 4.22Å; L987-F1014 HydrophobicContact CD1-CB 3.96Å; L987-F1014 HydrophobicContact CD1-CD2 4Å; L987-F1014 HydrophobicContact CD1-CG 4.43Å; M990-F1014 HydrophobicContact CG-CE2 4.27Å; Q1010-F1014 HydrophobicContact CB-CD2 4.46Å; Q1010-F1014 HydrophobicContact CB-CE2 4.24Å; Q1010-F1014 VanDerWaalsContact O-CD2 3.27Å; Q1010-F1014 WeakPolarHBondContact O-CD2 3.4Å; Q1010-F1014 VanDerWaalsContact O-CG 3.3Å; Q1010-F1014 WeakPolarHBondContact O-CG 3.39Å; Q1010-F1014 PolarHBondContact O-N 3.19Å; V1011-F1014 PolarHBondContact O-N 3.05Å; V1011-F1014 VanDerWaalsContact O-N 3.09Å; F1014-R1016 PolarHBondContact O-N 2.99Å; F1014-R1016 VanDerWaalsContact O-N 3.1Å; F1014-R1017 WeakPolarHBondContact O-CB 3.41Å; F1014-R1017 PolarHBondContact O-N 3.15Å; F1014-L1020 HydrophobicContact CB-CB 4.43Å; F1014-L1020 HydrophobicContact CB-CD1 3.83Å; F1014-L1020 HydrophobicContact CD1-CD1 3.85Å; F1014-L1020 HydrophobicContact CG-CD1 4.1Å; F1014-L1020 WeakPolarHBondContact O-CB 3.36Å |
| 1015 | I | 82.9 | Confident | 84.1 | Confident | 4.6 Ų | 4.6 | 45.1 Ų | 45.1 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -13.7 | -176.4 | 61.8 | 149.7 | 0 | 0 | 0 | 113.8 | V1011 I1012 R1017 L1021 W1024 L1079 L1082 T1083 W1086 | V1011-I1015 HydrophobicContact CG1-CG2 4.1Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.33Å; V1011-I1015 WeakPolarHBondContact O-CG2 3.29Å; V1011-I1015 PolarHBondContact O-N 3.22Å; I1012-I1015 VanDerWaalsContact O-CG1 3.29Å; I1012-I1015 WeakPolarHBondContact O-CG1 3.34Å; I1015-R1017 PolarHBondContact O-N 2.97Å; I1015-R1017 VanDerWaalsContact O-N 3.12Å; I1015-L1021 HydrophobicContact CB-CD1 4.16Å; I1015-L1021 HydrophobicContact CG2-CD1 4.44Å; I1015-W1024 HydrophobicContact CG2-CB 4.16Å; I1015-W1024 HydrophobicContact CG2-CD2 4.41Å; I1015-W1024 HydrophobicContact CG2-CG 4.02Å; I1015-L1079 HydrophobicContact CD1-CD1 3.43Å; I1015-L1079 VanDerWaalsContact CD1-CD1 3.44Å; I1015-L1079 HydrophobicContact CG1-CD1 4.09Å; I1015-L1079 HydrophobicContact CG2-CD1 4.4Å; I1015-L1082 HydrophobicContact CD1-CB 3.81Å; I1015-L1082 HydrophobicContact CD1-CD1 4.26Å; I1015-T1083 HydrophobicContact CD1-CG2 3.61Å; I1015-W1086 HydrophobicContact CD1-CZ3 4.22Å; I1015-W1086 HydrophobicContact CG1-CZ3 4.39Å |
| 1016 | R | 78.3 | Confident | 84.2 | Confident | 104 Ų | 104 | 46.2 Ų | 46.2 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.7 | 170.6 | -65.1 | -179.7 | -179.6 | -171.6 | -0.6 | 112.5 | E969 I971 I1012 I1013 F1014 W1086 | E969-R1016 IonicContact OE2-NH1 3.02Å; I971-R1016 WeakPolarHBondContact CG1-O 3.24Å; I1012-R1016 WeakPolarHBondContact O-CG 3.3Å; I1013-R1016 WeakPolarHBondContact O-CB 3.43Å; I1013-R1016 PolarHBondContact O-N 3.45Å; F1014-R1016 PolarHBondContact O-N 2.99Å; F1014-R1016 VanDerWaalsContact O-N 3.1Å; R1016-W1086 HydrophobicContact CB-CH2 4.24Å; R1016-W1086 HydrophobicContact CB-CZ3 4.27Å; R1016-W1086 HydrophobicContact CG-CH2 3.69Å; R1016-W1086 HydrophobicContact CG-CZ3 3.83Å |
| 1017 | R | 77.6 | Confident | 84.3 | Confident | 107.2 Ų | 107.2 | 48 Ų | 48 | 41% | 0.405 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -97.5 | 127.7 | 172.7 | -59 | -175.4 | -177.1 | 178.9 | 0.4 | 110 | F976 F1014 I1015 V1019 L1020 L1021 | F976-R1017 VanDerWaalsContact CD2-NH2 3.26Å; F976-R1017 VanDerWaalsContact CE1-NH2 3.31Å; F1014-R1017 WeakPolarHBondContact O-CB 3.41Å; F1014-R1017 PolarHBondContact O-N 3.15Å; I1015-R1017 PolarHBondContact O-N 2.97Å; I1015-R1017 VanDerWaalsContact O-N 3.12Å; R1017-V1019 VanDerWaalsContact C-N 3.3Å; R1017-V1019 PolarHBondContact O-N 3.13Å; R1017-V1019 VanDerWaalsContact O-N 3.16Å; R1017-L1020 HydrophobicContact CB-CB 4.28Å; R1017-L1020 HydrophobicContact CB-CD1 4.28Å; R1017-L1020 HydrophobicContact CB-CG 4.28Å; R1017-L1020 HydrophobicContact CG-CD1 4.49Å; R1017-L1020 PolarHBondContact O-N 3.28Å; R1017-L1020 VanDerWaalsContact O-N 3.1Å; R1017-L1021 PolarHBondContact O-N 3.13Å |
| 1018 | P | 76.6 | Confident | 84.3 | Confident | 84.4 Ų | 84.4 | 53.6 Ų | 53.6 | 55% | 0.548 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.6 | -39.5 | -175.2 | -17.1 | 22.7 | 0 | 0 | 0 | 113.9 | I971 L1020 L1021 S1022 | I971-P1018 HydrophobicContact CG2-CG 3.3Å; P1018-L1020 VanDerWaalsContact C-N 3.32Å; P1018-L1020 PolarHBondContact O-N 2.96Å; P1018-L1021 PolarHBondContact O-N 3.19Å; P1018-S1022 WeakPolarHBondContact O-CB 3.39Å; P1018-S1022 PolarHBondContact O-N 3.35Å; P1018-S1022 PolarHBondContact O-OG 3.35Å |
| 1019 | V | 79.6 | Confident | 84.4 | Confident | 72.6 Ų | 72.6 | 53.6 Ų | 53.6 | 44% | 0.44 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 178.5 | -178 | 0 | 0 | 0 | 0 | 111 | L980 R1017 S1022 A1023 | L980-V1019 HydrophobicContact CD2-CG1 4.33Å; L980-V1019 HydrophobicContact CD2-CG2 4.33Å; R1017-V1019 VanDerWaalsContact C-N 3.3Å; R1017-V1019 PolarHBondContact O-N 3.13Å; R1017-V1019 VanDerWaalsContact O-N 3.16Å; V1019-S1022 PolarHBondContact O-N 2.94Å; V1019-S1022 PolarHBondContact O-OG 2.92Å; V1019-A1023 PolarHBondContact O-N 3.18Å |
| 1020 | L | 84.4 | Confident | 84.6 | Confident | 6.2 Ų | 6.2 | 50.2 Ų | 50.2 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -76.8 | -32.6 | 180 | -64.4 | -178.7 | 0 | 0 | 0 | 112.6 | P983 I984 L987 F1014 R1017 P1018 S1022 A1023 W1024 | P983-L1020 HydrophobicContact CB-CD1 4.04Å; P983-L1020 HydrophobicContact CB-CD2 3.99Å; I984-L1020 HydrophobicContact CB-CD2 4.47Å; I984-L1020 HydrophobicContact CG1-CD2 3.66Å; L987-L1020 HydrophobicContact CD2-CB 4.26Å; L987-L1020 HydrophobicContact CD2-CD2 4.38Å; L987-L1020 VanDerWaalsContact CD2-O 3.31Å; L987-L1020 WeakPolarHBondContact CD2-O 3.42Å; F1014-L1020 HydrophobicContact CB-CB 4.43Å; F1014-L1020 HydrophobicContact CB-CD1 3.83Å; F1014-L1020 HydrophobicContact CD1-CD1 3.85Å; F1014-L1020 HydrophobicContact CG-CD1 4.1Å; F1014-L1020 WeakPolarHBondContact O-CB 3.36Å; R1017-L1020 HydrophobicContact CB-CB 4.28Å; R1017-L1020 HydrophobicContact CB-CD1 4.28Å; R1017-L1020 HydrophobicContact CB-CG 4.28Å; R1017-L1020 HydrophobicContact CG-CD1 4.49Å; R1017-L1020 PolarHBondContact O-N 3.28Å; R1017-L1020 VanDerWaalsContact O-N 3.1Å; P1018-L1020 VanDerWaalsContact C-N 3.32Å; P1018-L1020 PolarHBondContact O-N 2.96Å; L1020-S1022 VanDerWaalsContact C-N 3.29Å; L1020-S1022 PolarHBondContact O-N 3.36Å; L1020-A1023 PolarHBondContact O-N 3.17Å; L1020-W1024 VanDerWaalsContact O-CB 3.3Å; L1020-W1024 WeakPolarHBondContact O-CB 3.31Å; L1020-W1024 PolarHBondContact O-N 3.13Å |
| 1021 | L | 84.7 | Confident | 84.8 | Confident | 12.6 Ų | 12.6 | 50.1 Ų | 50.1 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 168.5 | -178.5 | 61 | 0 | 0 | 0 | 111 | I1015 R1017 P1018 A1023 W1024 R1025 T1083 W1086 D1087 | I1015-L1021 HydrophobicContact CB-CD1 4.16Å; I1015-L1021 HydrophobicContact CG2-CD1 4.44Å; R1017-L1021 PolarHBondContact O-N 3.13Å; P1018-L1021 PolarHBondContact O-N 3.19Å; L1021-A1023 PolarHBondContact O-N 2.99Å; L1021-W1024 HydrophobicContact CD1-CE3 4.2Å; L1021-W1024 PolarHBondContact O-N 3.12Å; L1021-R1025 PolarHBondContact O-N 3.3Å; L1021-T1083 HydrophobicContact CD1-CG2 3.89Å; L1021-W1086 HydrophobicContact CD2-CB 3.65Å; L1021-D1087 HydrophobicContact CD1-CB 4.45Å; L1021-D1087 HydrophobicContact CD2-CB 3.96Å; L1021-D1087 HydrophobicContact CG-CB 4.27Å |
| 1022 | S | 83.9 | Confident | 85 | Confident | 47.2 Ų | 47.2 | 52.1 Ų | 52.1 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.3 | 78 | 0 | 0 | 0 | 0 | 112.5 | P1018 V1019 L1020 R1025 V1026 | P1018-S1022 WeakPolarHBondContact O-CB 3.39Å; P1018-S1022 PolarHBondContact O-N 3.35Å; P1018-S1022 PolarHBondContact O-OG 3.35Å; V1019-S1022 PolarHBondContact O-N 2.94Å; V1019-S1022 PolarHBondContact O-OG 2.92Å; L1020-S1022 VanDerWaalsContact C-N 3.29Å; L1020-S1022 PolarHBondContact O-N 3.36Å; S1022-R1025 PolarHBondContact O-N 3.09Å; S1022-V1026 VanDerWaalsContact O-CG2 3.31Å; S1022-V1026 WeakPolarHBondContact O-CG2 3.38Å; S1022-V1026 PolarHBondContact O-N 3.05Å; S1022-V1026 VanDerWaalsContact O-N 3.08Å |
| 1023 | A | 85.3 | Confident | 85.3 | Confident | 10.2 Ų | 10.2 | 51.5 Ų | 51.5 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I984 L987 V1019 L1020 L1021 R1025 V1026 H1027 | I984-A1023 HydrophobicContact CD1-CB 4.44Å; I984-A1023 HydrophobicContact CG1-CB 4.21Å; I984-A1023 HydrophobicContact CG2-CB 4.07Å; L987-A1023 HydrophobicContact CD2-CB 4.08Å; V1019-A1023 PolarHBondContact O-N 3.18Å; L1020-A1023 PolarHBondContact O-N 3.17Å; L1021-A1023 PolarHBondContact O-N 2.99Å; A1023-R1025 VanDerWaalsContact C-N 3.26Å; A1023-R1025 PolarHBondContact O-N 3.37Å; A1023-V1026 PolarHBondContact O-N 3.07Å; A1023-V1026 VanDerWaalsContact O-N 3.14Å; A1023-H1027 PolarHBondContact O-CD2 3.06Å; A1023-H1027 PolarHBondContact O-N 3.18Å |
| 1024 | W | 88.5 | Confident | 85.8 | Confident | 3.2 Ų | 3.2 | 47.6 Ų | 47.6 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.2 | -42.5 | 175 | 177.7 | 84.2 | 0 | 0 | 0 | 111.6 | L987 M991 I1015 L1020 L1021 H1027 G1029 P1030 L1033 T1083 T1090 | L987-W1024 HydrophobicContact CD2-CB 4.03Å; M991-W1024 HydrophobicContact CE-CG 4.49Å; M991-W1024 VanDerWaalsContact SD-CD1 3.55Å; M991-W1024 HydrophobicContact SD-CG 4.32Å; I1015-W1024 HydrophobicContact CG2-CB 4.16Å; I1015-W1024 HydrophobicContact CG2-CD2 4.41Å; I1015-W1024 HydrophobicContact CG2-CG 4.02Å; L1020-W1024 VanDerWaalsContact O-CB 3.3Å; L1020-W1024 WeakPolarHBondContact O-CB 3.31Å; L1020-W1024 PolarHBondContact O-N 3.13Å; L1021-W1024 HydrophobicContact CD1-CE3 4.2Å; L1021-W1024 PolarHBondContact O-N 3.12Å; W1024-H1027 CarbonylContact O-C 3.53Å; W1024-H1027 PolarHBondContact O-N 2.99Å; W1024-G1029 WeakPolarHBondContact CH2-O 3.36Å; W1024-G1029 VanDerWaalsContact CZ2-CA 3.42Å; W1024-G1029 VanDerWaalsContact CZ2-O 3.27Å; W1024-G1029 WeakPolarHBondContact CZ2-O 3.34Å; W1024-G1029 PolarHBondContact O-N 3.09Å; W1024-P1030 HydrophobicContact CE3-CG 4.4Å; W1024-P1030 HydrophobicContact CH2-CB 4.36Å; W1024-P1030 HydrophobicContact CH2-CG 3.89Å; W1024-P1030 VanDerWaalsContact CH2-N 3.29Å; W1024-P1030 VanDerWaalsContact CZ3-CD 3.43Å; W1024-P1030 HydrophobicContact CZ3-CG 3.61Å; W1024-L1033 HydrophobicContact CH2-CD1 3.77Å; W1024-L1033 HydrophobicContact CH2-CG 4.36Å; W1024-L1033 HydrophobicContact CZ2-CD1 3.68Å; W1024-L1033 HydrophobicContact CZ2-CG 4.14Å; W1024-T1083 HydrophobicContact CD2-CG2 4.31Å; W1024-T1083 HydrophobicContact CE3-CG2 3.99Å; W1024-T1083 HydrophobicContact CH2-CG2 3.63Å; W1024-T1083 HydrophobicContact CZ2-CG2 4.11Å; W1024-T1083 HydrophobicContact CZ3-CG2 3.54Å; W1024-T1083 VanDerWaalsContact CZ3-CG2 3.49Å; W1024-T1090 HydrophobicContact CH2-CG2 4.37Å; W1024-T1090 HydrophobicContact CZ3-CG2 4.15Å |
| 1025 | R | 86.3 | Confident | 86.1 | Confident | 85.2 Ų | 85.2 | 48.8 Ų | 48.8 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -47 | 174.7 | -176.1 | -174.1 | 68 | -154.5 | 1 | 112.6 | L1021 S1022 A1023 H1027 H1028 P1030 D1087 S1089 | L1021-R1025 PolarHBondContact O-N 3.3Å; S1022-R1025 PolarHBondContact O-N 3.09Å; A1023-R1025 VanDerWaalsContact C-N 3.26Å; A1023-R1025 PolarHBondContact O-N 3.37Å; R1025-H1027 PolarHBondContact O-N 3.07Å; R1025-H1028 PolarHBondContact O-N 3.19Å; R1025-H1028 VanDerWaalsContact O-N 3.13Å; R1025-P1030 HydrophobicContact CG-CG 4.38Å; R1025-D1087 VanDerWaalsContact CD-OD2 3.3Å; R1025-D1087 WeakPolarHBondContact CD-OD2 3.38Å; R1025-D1087 IonicContact CZ-OD1 2.9Å; R1025-D1087 IonicContact NH1-OD1 3.74Å; R1025-D1087 PolarHBondContact NH1-OD1 3.18Å; R1025-D1087 IonicContact NH1-OD2 3.47Å; R1025-D1087 PolarHBondContact NH1-OD2 2.85Å; R1025-S1089 PolarHBondContact NH1-OG 2.95Å |
| 1026 | V | 86.5 | Confident | 86.4 | Confident | 98.8 Ų | 98.8 | 49.4 Ų | 49.4 | 60% | 0.599 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.8 | -28.2 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | S1022 A1023 H1028 | S1022-V1026 VanDerWaalsContact O-CG2 3.31Å; S1022-V1026 WeakPolarHBondContact O-CG2 3.38Å; S1022-V1026 PolarHBondContact O-N 3.05Å; S1022-V1026 VanDerWaalsContact O-N 3.08Å; A1023-V1026 PolarHBondContact O-N 3.07Å; A1023-V1026 VanDerWaalsContact O-N 3.14Å; V1026-H1028 VanDerWaalsContact C-N 3.32Å; V1026-H1028 PolarHBondContact O-N 2.99Å |
| 1027 | H | 87.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 31.7 | 176.1 | -69.3 | -65.9 | 0 | 0 | 0 | 114 | I988 M991 A1023 W1024 R1025 G1029 | I988-H1027 VanDerWaalsContact CD1-NE2 3.3Å; I988-H1027 WeakPolarHBondContact CD1-NE2 3.33Å; M991-H1027 HydrophobicContact CE-CB 4.06Å; M991-H1027 VanDerWaalsContact CE-O 3.28Å; M991-H1027 WeakPolarHBondContact CE-O 3.17Å; M991-H1027 HydrophobicContact SD-CB 4.23Å; A1023-H1027 PolarHBondContact O-CD2 3.06Å; A1023-H1027 PolarHBondContact O-N 3.18Å; W1024-H1027 CarbonylContact O-C 3.53Å; W1024-H1027 PolarHBondContact O-N 2.99Å; R1025-H1027 PolarHBondContact O-N 3.07Å; H1027-G1029 VanDerWaalsContact C-N 3.27Å; H1027-G1029 PolarHBondContact O-N 3.3Å |
| 1028 | H | 88.3 | Confident | 87.7 | Confident | 120.6 Ų | 120.6 | 40.4 Ų | 40.4 | 56% | 0.558 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 30.9 | 173.1 | -56.7 | -66.7 | 0 | 0 | 0 | 115.2 | R1025 V1026 E1031 F1032 | R1025-H1028 PolarHBondContact O-N 3.19Å; R1025-H1028 VanDerWaalsContact O-N 3.13Å; V1026-H1028 VanDerWaalsContact C-N 3.32Å; V1026-H1028 PolarHBondContact O-N 2.99Å; H1028-E1031 VanDerWaalsContact C-OE2 3.27Å; H1028-E1031 WeakPolarHBondContact CA-OE2 3.31Å; H1028-E1031 HydrophobicContact CB-CB 4.35Å; H1028-E1031 IonicContact CE1-OE1 3.3Å; H1028-E1031 IonicContact CG-OE1 3.01Å; H1028-E1031 IonicContact ND1-OE1 3.75Å; H1028-E1031 PolarHBondContact ND1-OE1 2.9Å; H1028-E1031 PolarHBondContact O-N 3.17Å; H1028-F1032 WeakPolarHBondContact O-CB 3.38Å; H1028-F1032 PolarHBondContact O-N 3.22Å |
| 1029 | G | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1024 H1027 E1031 F1032 L1033 | W1024-G1029 WeakPolarHBondContact CH2-O 3.36Å; W1024-G1029 VanDerWaalsContact CZ2-CA 3.42Å; W1024-G1029 VanDerWaalsContact CZ2-O 3.27Å; W1024-G1029 WeakPolarHBondContact CZ2-O 3.34Å; W1024-G1029 PolarHBondContact O-N 3.09Å; H1027-G1029 VanDerWaalsContact C-N 3.27Å; H1027-G1029 PolarHBondContact O-N 3.3Å; G1029-E1031 PolarHBondContact O-N 2.94Å; G1029-F1032 WeakPolarHBondContact O-CB 3.37Å; G1029-F1032 PolarHBondContact O-N 3.38Å; G1029-L1033 PolarHBondContact O-N 3.3Å; G1029-L1033 VanDerWaalsContact O-N 3.08Å |
| 1030 | P | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 176.4 | -24.8 | 33.3 | 0 | 0 | 0 | 112.8 | W1024 R1025 F1032 L1033 V1034 T1090 I1093 F1094 | W1024-P1030 HydrophobicContact CE3-CG 4.4Å; W1024-P1030 HydrophobicContact CH2-CB 4.36Å; W1024-P1030 HydrophobicContact CH2-CG 3.89Å; W1024-P1030 VanDerWaalsContact CH2-N 3.29Å; W1024-P1030 VanDerWaalsContact CZ3-CD 3.43Å; W1024-P1030 HydrophobicContact CZ3-CG 3.61Å; R1025-P1030 HydrophobicContact CG-CG 4.38Å; P1030-F1032 VanDerWaalsContact C-N 3.31Å; P1030-F1032 PolarHBondContact O-N 3.19Å; P1030-L1033 WeakPolarHBondContact O-CB 3.44Å; P1030-L1033 PolarHBondContact O-N 3.2Å; P1030-L1033 VanDerWaalsContact O-N 3.15Å; P1030-V1034 WeakPolarHBondContact O-CG2 3.31Å; P1030-V1034 PolarHBondContact O-N 3.04Å; P1030-T1090 HydrophobicContact CB-CG2 4.14Å; P1030-T1090 HydrophobicContact CG-CG2 3.9Å; P1030-T1090 WeakPolarHBondContact CG-OG1 3.24Å; P1030-I1093 HydrophobicContact CB-CB 4.39Å; P1030-I1093 HydrophobicContact CB-CD1 3.89Å; P1030-I1093 HydrophobicContact CB-CG2 4.13Å; P1030-I1093 HydrophobicContact CG-CD1 4.06Å; P1030-F1094 HydrophobicContact CB-CE1 4.11Å |
| 1031 | E | 91.6 | Very high | 88.7 | Confident | 75.8 Ų | 75.8 | 37.6 Ų | 37.6 | 35% | 0.354 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.2 | -37.1 | 179.8 | -58.8 | 93.3 | 134.1 | 0 | 0 | 111 | H1028 G1029 V1034 S1035 | H1028-E1031 VanDerWaalsContact C-OE2 3.27Å; H1028-E1031 WeakPolarHBondContact CA-OE2 3.31Å; H1028-E1031 HydrophobicContact CB-CB 4.35Å; H1028-E1031 IonicContact CE1-OE1 3.3Å; H1028-E1031 IonicContact CG-OE1 3.01Å; H1028-E1031 IonicContact ND1-OE1 3.75Å; H1028-E1031 PolarHBondContact ND1-OE1 2.9Å; H1028-E1031 PolarHBondContact O-N 3.17Å; G1029-E1031 PolarHBondContact O-N 2.94Å; E1031-V1034 PolarHBondContact O-N 3.15Å; E1031-S1035 WeakPolarHBondContact O-CB 3.35Å; E1031-S1035 PolarHBondContact O-N 2.95Å; E1031-S1035 PolarHBondContact O-OG 3.28Å |
| 1032 | F | 91.2 | Very high | 88.7 | Confident | 43 Ų | 43 | 40.7 Ų | 40.7 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 170.8 | 170.2 | -96.3 | 0 | 0 | 0 | 111.4 | L994 A995 H1028 G1029 P1030 V1034 S1035 W1036 M1076 | L994-F1032 HydrophobicContact CD2-CD1 4.33Å; L994-F1032 HydrophobicContact CD2-CE1 3.5Å; L994-F1032 HydrophobicContact CD2-CZ 3.94Å; L994-F1032 HydrophobicContact CG-CE1 3.85Å; L994-F1032 HydrophobicContact CG-CZ 3.74Å; A995-F1032 HydrophobicContact CB-CD2 4.28Å; A995-F1032 HydrophobicContact CB-CE2 3.84Å; H1028-F1032 WeakPolarHBondContact O-CB 3.38Å; H1028-F1032 PolarHBondContact O-N 3.22Å; G1029-F1032 WeakPolarHBondContact O-CB 3.37Å; G1029-F1032 PolarHBondContact O-N 3.38Å; P1030-F1032 VanDerWaalsContact C-N 3.31Å; P1030-F1032 PolarHBondContact O-N 3.19Å; F1032-V1034 PolarHBondContact O-N 3.21Å; F1032-S1035 WeakPolarHBondContact CA-OG 3.37Å; F1032-S1035 PolarHBondContact O-N 3.02Å; F1032-S1035 PolarHBondContact O-OG 3.08Å; F1032-W1036 HydrophobicContact CE1-CB 4.31Å; F1032-W1036 HydrophobicContact CZ-CB 4.42Å; F1032-W1036 HydrophobicContact CZ-CG 4.44Å; F1032-W1036 VanDerWaalsContact O-CB 3.29Å; F1032-W1036 WeakPolarHBondContact O-CB 3.35Å; F1032-W1036 PolarHBondContact O-N 3.13Å; F1032-M1076 HydrophobicContact CE1-CE 4.04Å; F1032-M1076 HydrophobicContact CE1-SD 4.43Å; F1032-M1076 HydrophobicContact CZ-CE 4.05Å |
| 1033 | L | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -48.1 | 177.5 | -74.9 | 175.9 | 0 | 0 | 0 | 111.4 | W1024 G1029 P1030 S1035 W1036 F1037 M1076 L1079 A1080 F1094 | W1024-L1033 HydrophobicContact CH2-CD1 3.77Å; W1024-L1033 HydrophobicContact CH2-CG 4.36Å; W1024-L1033 HydrophobicContact CZ2-CD1 3.68Å; W1024-L1033 HydrophobicContact CZ2-CG 4.14Å; G1029-L1033 PolarHBondContact O-N 3.3Å; G1029-L1033 VanDerWaalsContact O-N 3.08Å; P1030-L1033 WeakPolarHBondContact O-CB 3.44Å; P1030-L1033 PolarHBondContact O-N 3.2Å; P1030-L1033 VanDerWaalsContact O-N 3.15Å; L1033-S1035 VanDerWaalsContact C-N 3.33Å; L1033-S1035 PolarHBondContact O-N 3.11Å; L1033-W1036 PolarHBondContact O-N 2.98Å; L1033-F1037 HydrophobicContact CB-CD2 4.42Å; L1033-F1037 HydrophobicContact CD2-CE2 4.25Å; L1033-F1037 WeakPolarHBondContact O-CB 3.37Å; L1033-F1037 VanDerWaalsContact O-CD2 3.23Å; L1033-F1037 WeakPolarHBondContact O-CD2 3.36Å; L1033-F1037 PolarHBondContact O-N 3.27Å; L1033-M1076 HydrophobicContact CD2-SD 4.1Å; L1033-L1079 HydrophobicContact CD1-CG 4.33Å; L1033-L1079 HydrophobicContact CD2-CD2 4.15Å; L1033-A1080 HydrophobicContact CD1-CB 4.01Å; L1033-F1094 HydrophobicContact CB-CE1 4.4Å; L1033-F1094 HydrophobicContact CB-CZ 4.4Å; L1033-F1094 HydrophobicContact CD1-CZ 3.93Å |
| 1034 | V | 91.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.8 | -49.4 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 111 | P1030 E1031 F1032 W1036 F1037 N1038 F1094 E1097 F1100 | P1030-V1034 WeakPolarHBondContact O-CG2 3.31Å; P1030-V1034 PolarHBondContact O-N 3.04Å; E1031-V1034 PolarHBondContact O-N 3.15Å; F1032-V1034 PolarHBondContact O-N 3.21Å; V1034-W1036 PolarHBondContact O-N 3.03Å; V1034-F1037 PolarHBondContact O-N 3.31Å; V1034-N1038 WeakPolarHBondContact CG1-ND2 3.23Å; V1034-N1038 WeakPolarHBondContact O-CB 3.3Å; V1034-N1038 PolarHBondContact O-N 2.9Å; V1034-N1038 PolarHBondContact O-ND2 3.13Å; V1034-F1094 HydrophobicContact CG2-CD1 3.82Å; V1034-F1094 HydrophobicContact CG2-CE1 4.02Å; V1034-E1097 HydrophobicContact CB-CG 4.5Å; V1034-E1097 HydrophobicContact CG1-CB 3.94Å; V1034-E1097 HydrophobicContact CG1-CG 3.85Å; V1034-E1097 HydrophobicContact CG2-CB 4.16Å; V1034-E1097 HydrophobicContact CG2-CG 4.09Å; V1034-F1100 HydrophobicContact CB-CD2 4.19Å; V1034-F1100 HydrophobicContact CB-CG 4.5Å; V1034-F1100 HydrophobicContact CG1-CB 4.21Å; V1034-F1100 HydrophobicContact CG1-CD2 4.42Å; V1034-F1100 HydrophobicContact CG1-CG 4.44Å; V1034-F1100 HydrophobicContact CG2-CB 4.29Å; V1034-F1100 HydrophobicContact CG2-CD1 4.37Å; V1034-F1100 HydrophobicContact CG2-CD2 3.86Å; V1034-F1100 HydrophobicContact CG2-CE2 4.2Å; V1034-F1100 HydrophobicContact CG2-CG 3.95Å |
| 1035 | S | 89.8 | Confident | 88 | Confident | 60.2 Ų | 60.2 | 41.9 Ų | 41.9 | 42% | 0.421 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 179.1 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | E1031 F1032 L1033 N1038 Q1039 | E1031-S1035 WeakPolarHBondContact O-CB 3.35Å; E1031-S1035 PolarHBondContact O-N 2.95Å; E1031-S1035 PolarHBondContact O-OG 3.28Å; F1032-S1035 WeakPolarHBondContact CA-OG 3.37Å; F1032-S1035 PolarHBondContact O-N 3.02Å; F1032-S1035 PolarHBondContact O-OG 3.08Å; L1033-S1035 VanDerWaalsContact C-N 3.33Å; L1033-S1035 PolarHBondContact O-N 3.11Å; S1035-N1038 PolarHBondContact O-N 2.99Å; S1035-Q1039 VanDerWaalsContact O-CB 3.32Å; S1035-Q1039 WeakPolarHBondContact O-CB 3.37Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.42Å; S1035-Q1039 PolarHBondContact O-N 3.23Å |
| 1036 | W | 91.1 | Very high | 87.7 | Confident | 17.2 Ų | 17.2 | 42.2 Ų | 42.2 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | 179.7 | -173.8 | 86.7 | 0 | 0 | 0 | 111.8 | F1032 L1033 V1034 N1038 Q1039 V1040 L1072 L1073 M1076 | F1032-W1036 HydrophobicContact CE1-CB 4.31Å; F1032-W1036 HydrophobicContact CZ-CB 4.42Å; F1032-W1036 HydrophobicContact CZ-CG 4.44Å; F1032-W1036 VanDerWaalsContact O-CB 3.29Å; F1032-W1036 WeakPolarHBondContact O-CB 3.35Å; F1032-W1036 PolarHBondContact O-N 3.13Å; L1033-W1036 PolarHBondContact O-N 2.98Å; V1034-W1036 PolarHBondContact O-N 3.03Å; W1036-N1038 VanDerWaalsContact C-N 3.34Å; W1036-N1038 PolarHBondContact O-N 3.06Å; W1036-Q1039 PolarHBondContact O-N 3.21Å; W1036-V1040 HydrophobicContact CD2-CG2 3.9Å; W1036-V1040 HydrophobicContact CE3-CG2 4.06Å; W1036-V1040 HydrophobicContact CH2-CG2 3.85Å; W1036-V1040 HydrophobicContact CZ2-CG2 3.7Å; W1036-V1040 HydrophobicContact CZ3-CG2 4.03Å; W1036-V1040 WeakPolarHBondContact O-CB 3.24Å; W1036-V1040 VanDerWaalsContact O-CG2 3.27Å; W1036-V1040 WeakPolarHBondContact O-CG2 3.32Å; W1036-V1040 PolarHBondContact O-N 2.86Å; W1036-L1072 HydrophobicContact CZ2-CB 4.2Å; W1036-L1073 HydrophobicContact CH2-CB 4.29Å; W1036-L1073 HydrophobicContact CH2-CD1 4Å; W1036-L1073 HydrophobicContact CZ3-CD1 3.85Å; W1036-M1076 HydrophobicContact CD2-CE 4.05Å; W1036-M1076 HydrophobicContact CD2-CG 4.11Å; W1036-M1076 HydrophobicContact CE3-CB 3.97Å; W1036-M1076 HydrophobicContact CE3-CG 3.86Å; W1036-M1076 HydrophobicContact CG-CE 4.16Å; W1036-M1076 HydrophobicContact CH2-CB 3.97Å; W1036-M1076 HydrophobicContact CH2-CG 3.65Å; W1036-M1076 HydrophobicContact CZ2-CE 4.31Å; W1036-M1076 HydrophobicContact CZ2-CG 3.89Å; W1036-M1076 HydrophobicContact CZ3-CB 3.57Å; W1036-M1076 HydrophobicContact CZ3-CG 3.63Å |
| 1037 | F | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.1 | -86.4 | -75.6 | 0 | 0 | 0 | 112.1 | L1033 V1034 V1040 A1041 L1073 M1076 V1077 A1080 F1100 I1104 L1107 F1121 | L1033-F1037 HydrophobicContact CB-CD2 4.42Å; L1033-F1037 HydrophobicContact CD2-CE2 4.25Å; L1033-F1037 WeakPolarHBondContact O-CB 3.37Å; L1033-F1037 VanDerWaalsContact O-CD2 3.23Å; L1033-F1037 WeakPolarHBondContact O-CD2 3.36Å; L1033-F1037 PolarHBondContact O-N 3.27Å; V1034-F1037 PolarHBondContact O-N 3.31Å; F1037-V1040 PolarHBondContact O-N 3.22Å; F1037-A1041 WeakPolarHBondContact O-CB 3.36Å; F1037-A1041 PolarHBondContact O-N 3.36Å; F1037-L1073 HydrophobicContact CD1-CD1 4.47Å; F1037-L1073 HydrophobicContact CE1-CD1 3.76Å; F1037-M1076 HydrophobicContact CE2-CB 4.16Å; F1037-M1076 HydrophobicContact CZ-CB 3.97Å; F1037-V1077 HydrophobicContact CE1-CG2 3.68Å; F1037-V1077 HydrophobicContact CZ-CB 4.3Å; F1037-V1077 HydrophobicContact CZ-CG2 3.59Å; F1037-A1080 HydrophobicContact CE2-CB 4.16Å; F1037-F1100 HydrophobicContact CB-CD2 3.93Å; F1037-F1100 HydrophobicContact CB-CE2 3.8Å; F1037-F1100 HydrophobicContact CD2-CD2 4.46Å; F1037-F1100 AromaticContact CD2-CE2 3.52Å; F1037-F1100 HydrophobicContact CD2-CE2 3.52Å; F1037-F1100 HydrophobicContact CD2-CZ 4.25Å; F1037-F1100 HydrophobicContact CE2-CE2 4.31Å; F1037-F1100 HydrophobicContact CG-CD2 4.42Å; F1037-F1100 AromaticContact CG-CE2 3.81Å; F1037-F1100 HydrophobicContact CG-CE2 3.81Å; F1037-I1104 HydrophobicContact CD1-CD1 3.52Å; F1037-I1104 HydrophobicContact CD2-CD1 4.34Å; F1037-I1104 HydrophobicContact CE1-CD1 3.56Å; F1037-I1104 HydrophobicContact CE2-CD1 4.37Å; F1037-I1104 HydrophobicContact CG-CD1 3.92Å; F1037-I1104 HydrophobicContact CZ-CD1 4Å; F1037-L1107 HydrophobicContact CD1-CD1 3.54Å; F1037-L1107 HydrophobicContact CE1-CD1 4.11Å; F1037-F1121 HydrophobicContact CE1-CE1 4.33Å |
| 1038 | N | 90.1 | Very high | 86.5 | Confident | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.5 | -69.2 | -18.2 | 0 | 0 | 0 | 111.9 | V1034 S1035 W1036 A1041 N1042 D1099 F1100 S1103 | V1034-N1038 WeakPolarHBondContact CG1-ND2 3.23Å; V1034-N1038 WeakPolarHBondContact O-CB 3.3Å; V1034-N1038 PolarHBondContact O-N 2.9Å; V1034-N1038 PolarHBondContact O-ND2 3.13Å; S1035-N1038 PolarHBondContact O-N 2.99Å; W1036-N1038 VanDerWaalsContact C-N 3.34Å; W1036-N1038 PolarHBondContact O-N 3.06Å; N1038-A1041 PolarHBondContact O-N 3.39Å; N1038-N1042 WeakPolarHBondContact O-CB 3.36Å; N1038-N1042 VanDerWaalsContact O-CG 3.22Å; N1038-N1042 PolarHBondContact O-N 3.27Å; N1038-N1042 PolarHBondContact O-ND2 3.01Å; N1038-N1042 VanDerWaalsContact O-ND2 3.13Å; N1038-D1099 WeakPolarHBondContact ND2-CB 3.32Å; N1038-D1099 WeakPolarHBondContact OD1-CB 3.38Å; N1038-D1099 PolarHBondContact OD1-O 3.22Å; N1038-D1099 VanDerWaalsContact OD1-O 3.06Å; N1038-F1100 WeakPolarHBondContact OD1-CA 3.35Å; N1038-F1100 PolarHBondContact OD1-N 3.37Å; N1038-S1103 PolarHBondContact OD1-OG 3.24Å |
| 1039 | Q | 88.1 | Confident | 85.6 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 45% | 0.449 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 176.2 | -161 | 177 | -2.2 | 0 | 0 | 111.2 | S1035 W1036 A1041 N1042 D1043 | S1035-Q1039 VanDerWaalsContact O-CB 3.32Å; S1035-Q1039 WeakPolarHBondContact O-CB 3.37Å; S1035-Q1039 WeakPolarHBondContact O-CG 3.42Å; S1035-Q1039 PolarHBondContact O-N 3.23Å; W1036-Q1039 PolarHBondContact O-N 3.21Å; Q1039-A1041 VanDerWaalsContact C-N 3.34Å; Q1039-A1041 PolarHBondContact O-N 3.12Å; Q1039-N1042 PolarHBondContact O-N 3.19Å; Q1039-N1042 VanDerWaalsContact O-N 3.17Å; Q1039-D1043 WeakPolarHBondContact O-CB 3.32Å; Q1039-D1043 VanDerWaalsContact O-CG 3.27Å; Q1039-D1043 PolarHBondContact O-N 3.12Å |
| 1040 | V | 87.5 | Confident | 84.6 | Confident | 6.2 Ų | 6.2 | 40 Ų | 40 | 4% | 0.038 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | W1036 F1037 D1043 L1044 I1069 L1107 | W1036-V1040 HydrophobicContact CD2-CG2 3.9Å; W1036-V1040 HydrophobicContact CE3-CG2 4.06Å; W1036-V1040 HydrophobicContact CH2-CG2 3.85Å; W1036-V1040 HydrophobicContact CZ2-CG2 3.7Å; W1036-V1040 HydrophobicContact CZ3-CG2 4.03Å; W1036-V1040 WeakPolarHBondContact O-CB 3.24Å; W1036-V1040 VanDerWaalsContact O-CG2 3.27Å; W1036-V1040 WeakPolarHBondContact O-CG2 3.32Å; W1036-V1040 PolarHBondContact O-N 2.86Å; F1037-V1040 PolarHBondContact O-N 3.22Å; V1040-D1043 PolarHBondContact O-N 3.27Å; V1040-L1044 HydrophobicContact CG1-CD1 4.06Å; V1040-L1044 WeakPolarHBondContact O-CB 3.3Å; V1040-L1044 VanDerWaalsContact O-CG 3.32Å; V1040-L1044 WeakPolarHBondContact O-CG 3.39Å; V1040-L1044 PolarHBondContact O-N 2.99Å; V1040-I1069 HydrophobicContact CG1-CB 4.48Å; V1040-I1069 HydrophobicContact CG1-CD1 4.25Å; V1040-I1069 HydrophobicContact CG1-CG1 4.24Å; V1040-I1069 HydrophobicContact CG1-CG2 3.52Å; V1040-I1069 VanDerWaalsContact CG1-CG2 3.49Å; V1040-I1069 HydrophobicContact CG2-CG1 4.38Å; V1040-L1107 HydrophobicContact CG1-CD1 4.43Å; V1040-L1107 HydrophobicContact CG1-CD2 3.85Å |
| 1041 | A | 86.7 | Confident | 83.6 | Confident | 0.4 Ų | 0.4 | 43.2 Ų | 43.2 | 0% | 0.003 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1037 N1038 Q1039 L1044 L1045 S1103 Y1106 L1107 | F1037-A1041 WeakPolarHBondContact O-CB 3.36Å; F1037-A1041 PolarHBondContact O-N 3.36Å; N1038-A1041 PolarHBondContact O-N 3.39Å; Q1039-A1041 VanDerWaalsContact C-N 3.34Å; Q1039-A1041 PolarHBondContact O-N 3.12Å; A1041-L1044 PolarHBondContact O-N 3.07Å; A1041-L1045 VanDerWaalsContact O-CB 3.23Å; A1041-L1045 WeakPolarHBondContact O-CB 3.36Å; A1041-L1045 PolarHBondContact O-N 3.12Å; A1041-S1103 WeakPolarHBondContact CB-OG 3.32Å; A1041-Y1106 HydrophobicContact CB-CD1 3.94Å; A1041-Y1106 HydrophobicContact CB-CE1 4.45Å; A1041-Y1106 WeakPolarHBondContact O-CE1 3.15Å; A1041-L1107 HydrophobicContact CB-CG 4.48Å |
| 1042 | N | 84 | Confident | 82.1 | Confident | 78.4 Ų | 78.4 | 42.6 Ų | 42.6 | 42% | 0.419 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.4 | -73.8 | -32.8 | 0 | 0 | 0 | 112.7 | N1038 Q1039 L1045 L1046 | N1038-N1042 WeakPolarHBondContact O-CB 3.36Å; N1038-N1042 VanDerWaalsContact O-CG 3.22Å; N1038-N1042 PolarHBondContact O-N 3.27Å; N1038-N1042 PolarHBondContact O-ND2 3.01Å; N1038-N1042 VanDerWaalsContact O-ND2 3.13Å; Q1039-N1042 PolarHBondContact O-N 3.19Å; Q1039-N1042 VanDerWaalsContact O-N 3.17Å; N1042-L1045 WeakPolarHBondContact O-CB 3.32Å; N1042-L1045 PolarHBondContact O-N 3.28Å; N1042-L1046 WeakPolarHBondContact O-CB 3.37Å; N1042-L1046 PolarHBondContact O-N 3.14Å |
| 1043 | D | 83.1 | Confident | 80.5 | Confident | 73.6 Ų | 73.6 | 45.7 Ų | 45.7 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.2 | -72.2 | -15.4 | 0 | 0 | 0 | 111 | Q1039 V1040 L1046 L1047 | Q1039-D1043 WeakPolarHBondContact O-CB 3.32Å; Q1039-D1043 VanDerWaalsContact O-CG 3.27Å; Q1039-D1043 PolarHBondContact O-N 3.12Å; V1040-D1043 PolarHBondContact O-N 3.27Å; D1043-L1046 PolarHBondContact O-N 3.12Å; D1043-L1047 WeakPolarHBondContact O-CB 3.31Å; D1043-L1047 VanDerWaalsContact O-CG 3.25Å; D1043-L1047 WeakPolarHBondContact O-CG 3.27Å; D1043-L1047 PolarHBondContact O-N 3.06Å |
| 1044 | L | 82.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 176.4 | -72.8 | 177 | 0 | 0 | 0 | 112.4 | V1040 A1041 L1047 S1048 P1061 I1063 I1069 Y1106 L1107 V1110 F1111 | V1040-L1044 HydrophobicContact CG1-CD1 4.06Å; V1040-L1044 WeakPolarHBondContact O-CB 3.3Å; V1040-L1044 VanDerWaalsContact O-CG 3.32Å; V1040-L1044 WeakPolarHBondContact O-CG 3.39Å; V1040-L1044 PolarHBondContact O-N 2.99Å; A1041-L1044 PolarHBondContact O-N 3.07Å; L1044-L1047 HydrophobicContact CD2-CD1 4.28Å; L1044-L1047 PolarHBondContact O-N 3.12Å; L1044-S1048 WeakPolarHBondContact O-CB 3.28Å; L1044-S1048 PolarHBondContact O-N 3.07Å; L1044-P1061 HydrophobicContact CD2-CG 4.42Å; L1044-I1063 HydrophobicContact CD1-CD1 4.33Å; L1044-I1063 HydrophobicContact CD2-CD1 3.51Å; L1044-I1063 VanDerWaalsContact CD2-CD1 3.48Å; L1044-I1063 HydrophobicContact CD2-CG1 3.77Å; L1044-I1069 HydrophobicContact CD1-CG2 4.35Å; L1044-I1069 HydrophobicContact CD2-CD1 4.25Å; L1044-I1069 HydrophobicContact CG-CD1 4.33Å; L1044-Y1106 HydrophobicContact CB-CE1 3.92Å; L1044-L1107 HydrophobicContact CD1-CD2 3.52Å; L1044-L1107 VanDerWaalsContact CD1-CD2 3.49Å; L1044-V1110 HydrophobicContact CD1-CG1 4.38Å; L1044-F1111 HydrophobicContact CD1-CE2 3.87Å; L1044-F1111 HydrophobicContact CD1-CZ 4.17Å |
| 1045 | L | 78.6 | Confident | 76.7 | Confident | 11.6 Ų | 11.6 | 56.8 Ų | 56.8 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.7 | -172.4 | 128.4 | 0 | 0 | 0 | 110.4 | W884 L888 A1041 N1042 L1047 S1048 I1049 I1058 Y1106 | W884-L1045 HydrophobicContact CB-CD1 4.35Å; W884-L1045 HydrophobicContact CB-CD2 4.28Å; W884-L1045 HydrophobicContact CD2-CD1 3.76Å; W884-L1045 HydrophobicContact CD2-CD2 4.44Å; W884-L1045 HydrophobicContact CE3-CD1 4.09Å; W884-L1045 HydrophobicContact CG-CD1 3.74Å; W884-L1045 HydrophobicContact CG-CD2 3.96Å; W884-L1045 HydrophobicContact CZ2-CD1 4.35Å; W884-L1045 HydrophobicContact CZ3-CD1 4.4Å; L888-L1045 HydrophobicContact CD2-CD2 4.29Å; A1041-L1045 VanDerWaalsContact O-CB 3.23Å; A1041-L1045 WeakPolarHBondContact O-CB 3.36Å; A1041-L1045 PolarHBondContact O-N 3.12Å; N1042-L1045 WeakPolarHBondContact O-CB 3.32Å; N1042-L1045 PolarHBondContact O-N 3.28Å; L1045-L1047 VanDerWaalsContact C-N 3.35Å; L1045-L1047 PolarHBondContact O-N 3.3Å; L1045-S1048 PolarHBondContact O-N 3.05Å; L1045-S1048 PolarHBondContact O-OG 3.19Å; L1045-I1049 HydrophobicContact CD2-CD1 3.8Å; L1045-I1049 HydrophobicContact CG-CD1 4.33Å; L1045-I1049 WeakPolarHBondContact O-CD1 3.4Å; L1045-I1049 VanDerWaalsContact O-CG1 3.29Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.34Å; L1045-I1049 PolarHBondContact O-N 3.21Å; L1045-I1049 VanDerWaalsContact O-N 3.1Å; L1045-I1058 HydrophobicContact CD1-CD1 4.23Å; L1045-I1058 HydrophobicContact CD1-CG2 3.85Å; L1045-I1058 HydrophobicContact CG-CG2 4.06Å; L1045-Y1106 HydrophobicContact CB-CE1 4.43Å; L1045-Y1106 HydrophobicContact CD1-CE2 4.37Å; L1045-Y1106 PolarHBondContact N-OH 3.24Å |
| 1046 | L | 78.3 | Confident | 74.9 | Confident | 92.2 Ų | 92.2 | 56.9 Ų | 56.9 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.9 | -172.4 | 79.3 | 0 | 0 | 0 | 112 | N1042 D1043 S1048 I1049 Q1050 | N1042-L1046 WeakPolarHBondContact O-CB 3.37Å; N1042-L1046 PolarHBondContact O-N 3.14Å; D1043-L1046 PolarHBondContact O-N 3.12Å; L1046-S1048 VanDerWaalsContact C-N 3.34Å; L1046-S1048 PolarHBondContact O-N 3.01Å; L1046-I1049 PolarHBondContact O-N 3.15Å; L1046-Q1050 VanDerWaalsContact CD2-NE2 3.34Å; L1046-Q1050 WeakPolarHBondContact O-CG 3.28Å; L1046-Q1050 PolarHBondContact O-N 3.33Å |
| 1047 | L | 77 | Confident | 73.4 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.9 | -75.5 | 169.3 | 0 | 0 | 0 | 111.9 | D1043 L1044 L1045 I1049 Q1050 Q1051 | D1043-L1047 WeakPolarHBondContact O-CB 3.31Å; D1043-L1047 VanDerWaalsContact O-CG 3.25Å; D1043-L1047 WeakPolarHBondContact O-CG 3.27Å; D1043-L1047 PolarHBondContact O-N 3.06Å; L1044-L1047 HydrophobicContact CD2-CD1 4.28Å; L1044-L1047 PolarHBondContact O-N 3.12Å; L1045-L1047 VanDerWaalsContact C-N 3.35Å; L1045-L1047 PolarHBondContact O-N 3.3Å; L1047-I1049 VanDerWaalsContact C-N 3.32Å; L1047-I1049 PolarHBondContact O-N 3.04Å; L1047-Q1050 PolarHBondContact O-N 3.16Å; L1047-Q1051 WeakPolarHBondContact O-CB 3.33Å; L1047-Q1051 VanDerWaalsContact O-CG 3.25Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.25Å; L1047-Q1051 PolarHBondContact O-N 3.11Å |
| 1048 | S | 72.7 | Confident | 72.2 | Confident | 5.8 Ų | 5.8 | 58.9 Ų | 58.9 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.3 | 76 | 0 | 0 | 0 | 0 | 112.1 | L1044 L1045 L1046 Q1051 N1052 I1058 | L1044-S1048 WeakPolarHBondContact O-CB 3.28Å; L1044-S1048 PolarHBondContact O-N 3.07Å; L1045-S1048 PolarHBondContact O-N 3.05Å; L1045-S1048 PolarHBondContact O-OG 3.19Å; L1046-S1048 VanDerWaalsContact C-N 3.34Å; L1046-S1048 PolarHBondContact O-N 3.01Å; S1048-Q1051 PolarHBondContact O-N 3.21Å; S1048-N1052 PolarHBondContact O-N 3.19Å; S1048-N1052 VanDerWaalsContact O-N 3.15Å; S1048-I1058 WeakPolarHBondContact CB-O 3.36Å; S1048-I1058 VanDerWaalsContact OG-CG2 3.31Å; S1048-I1058 WeakPolarHBondContact OG-CG2 3.34Å |
| 1049 | I | 69.3 | Low | 71.1 | Confident | 52.8 Ų | 52.8 | 58.9 Ų | 58.9 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.7 | -66.8 | 166.3 | 0 | 0 | 0 | 111 | L888 L1045 L1046 L1047 Q1051 M1056 I1058 | L888-I1049 HydrophobicContact CD1-CD1 4.14Å; L888-I1049 HydrophobicContact CD2-CD1 3.54Å; L888-I1049 VanDerWaalsContact CD2-CD1 3.48Å; L888-I1049 HydrophobicContact CD2-CG1 4.43Å; L888-I1049 HydrophobicContact CG-CD1 4.38Å; L1045-I1049 HydrophobicContact CD2-CD1 3.8Å; L1045-I1049 HydrophobicContact CG-CD1 4.33Å; L1045-I1049 WeakPolarHBondContact O-CD1 3.4Å; L1045-I1049 VanDerWaalsContact O-CG1 3.29Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.34Å; L1045-I1049 PolarHBondContact O-N 3.21Å; L1045-I1049 VanDerWaalsContact O-N 3.1Å; L1046-I1049 PolarHBondContact O-N 3.15Å; L1047-I1049 VanDerWaalsContact C-N 3.32Å; L1047-I1049 PolarHBondContact O-N 3.04Å; I1049-Q1051 VanDerWaalsContact C-N 3.33Å; I1049-Q1051 PolarHBondContact O-N 3.04Å; I1049-M1056 HydrophobicContact CG1-SD 4.49Å; I1049-I1058 HydrophobicContact CG1-CD1 4.27Å |
| 1050 | Q | 69.7 | Low | 70.2 | Confident | 132.2 Ų | 132.2 | 58.5 Ų | 58.5 | 62% | 0.618 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.4 | -34.7 | 178.4 | -74.4 | 178 | -4.4 | 0 | 0 | 112.8 | L1046 L1047 | L1046-Q1050 VanDerWaalsContact CD2-NE2 3.34Å; L1046-Q1050 WeakPolarHBondContact O-CG 3.28Å; L1046-Q1050 PolarHBondContact O-N 3.33Å; L1047-Q1050 PolarHBondContact O-N 3.16Å |
| 1051 | Q | 68.4 | Low | 69.4 | Low | 67.8 Ų | 67.8 | 58.9 Ų | 58.9 | 32% | 0.317 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -77.9 | -39.6 | -177.1 | -72.1 | 175.6 | 0.6 | 0 | 0 | 112.6 | L1047 S1048 I1049 T1062 | L1047-Q1051 WeakPolarHBondContact O-CB 3.33Å; L1047-Q1051 VanDerWaalsContact O-CG 3.25Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.25Å; L1047-Q1051 PolarHBondContact O-N 3.11Å; S1048-Q1051 PolarHBondContact O-N 3.21Å; I1049-Q1051 VanDerWaalsContact C-N 3.33Å; I1049-Q1051 PolarHBondContact O-N 3.04Å; Q1051-T1062 PolarHBondContact NE2-O 3.18Å; Q1051-T1062 VanDerWaalsContact NE2-O 3.08Å; Q1051-T1062 PolarHBondContact NE2-OG1 3.03Å; Q1051-T1062 PolarHBondContact OE1-OG1 3.22Å |
| 1052 | N | 59.8 | Low | 68.5 | Low | 61.6 Ų | 61.6 | 63.9 Ų | 63.9 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | trans | -131.8 | 77.1 | -174.6 | -65.3 | -35.2 | 0 | 0 | 0 | 112.3 | S1048 S1054 E1055 | S1048-N1052 PolarHBondContact O-N 3.19Å; S1048-N1052 VanDerWaalsContact O-N 3.15Å; N1052-S1054 VanDerWaalsContact C-N 3.27Å; N1052-S1054 PolarHBondContact O-N 3.33Å; N1052-E1055 HydrophobicContact CB-CB 4.49Å; N1052-E1055 VanDerWaalsContact CB-O 3.24Å; N1052-E1055 WeakPolarHBondContact CB-O 3.33Å; N1052-E1055 CarbonylContact O-C 3.54Å; N1052-E1055 VanDerWaalsContact O-O 3.13Å | ||
| 1053 | P | 57.9 | Low | 67.9 | Low | 108 Ų | 108 | 62 Ų | 62 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -67.6 | -24.5 | 179.5 | 25.3 | -33.1 | 0 | 0 | 0 | 113.6 | ||
| 1054 | S | 52.9 | Low | 67.3 | Low | 115.4 Ų | 115.4 | 64.8 Ų | 64.8 | 81% | 0.807 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -93.7 | -25.8 | -177 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | N1052 | N1052-S1054 VanDerWaalsContact C-N 3.27Å; N1052-S1054 PolarHBondContact O-N 3.33Å |
| 1055 | E | 51.4 | Low | 66.5 | Low | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -119.1 | 99 | 175.4 | -72.9 | -175.4 | 178.1 | 0 | 0 | 107.6 | N1052 N1057 | N1052-E1055 HydrophobicContact CB-CB 4.49Å; N1052-E1055 VanDerWaalsContact CB-O 3.24Å; N1052-E1055 WeakPolarHBondContact CB-O 3.33Å; N1052-E1055 CarbonylContact O-C 3.54Å; N1052-E1055 VanDerWaalsContact O-O 3.13Å; E1055-N1057 PolarHBondContact O-N 3.09Å; E1055-N1057 PolarHBondContact OE2-ND2 3.13Å; E1055-N1057 VanDerWaalsContact OE2-ND2 3.1Å |
| 1056 | M | 52.7 | Low | 65.9 | Low | 62.4 Ų | 62.4 | 74.4 Ų | 74.4 | 31% | 0.307 | 40% | 0.404 | S | S | . | . | trans | -70.7 | 54.7 | 178.1 | -111.7 | -156.2 | -147.6 | 0 | 0 | 111.8 | L888 P938 F940 C945 I1049 I1058 | L888-M1056 HydrophobicContact CD1-CE 4.29Å; L888-M1056 HydrophobicContact CD2-CE 4.44Å; P938-M1056 HydrophobicContact CB-CE 4.14Å; P938-M1056 HydrophobicContact CB-SD 3.17Å; P938-M1056 WeakPolarHBondContact CB-SD 3.26Å; P938-M1056 HydrophobicContact CG-CE 4.11Å; P938-M1056 HydrophobicContact CG-SD 4.21Å; F940-M1056 HydrophobicContact CD1-CB 4.31Å; F940-M1056 HydrophobicContact CD1-CE 3.92Å; F940-M1056 HydrophobicContact CD1-CG 4.44Å; F940-M1056 HydrophobicContact CD1-SD 3.28Å; F940-M1056 WeakPolarHBondContact CD1-SD 3.26Å; F940-M1056 HydrophobicContact CD2-CE 3.79Å; F940-M1056 HydrophobicContact CD2-SD 4.35Å; F940-M1056 HydrophobicContact CE1-CB 4.43Å; F940-M1056 HydrophobicContact CE1-CE 3.74Å; F940-M1056 HydrophobicContact CE1-CG 4.25Å; F940-M1056 HydrophobicContact CE1-SD 3.78Å; F940-M1056 WeakPolarHBondContact CE1-SD 3.38Å; F940-M1056 HydrophobicContact CE2-CE 3.95Å; F940-M1056 HydrophobicContact CE2-SD 4.28Å; F940-M1056 HydrophobicContact CG-CE 3.72Å; F940-M1056 HydrophobicContact CG-SD 3.9Å; F940-M1056 HydrophobicContact CZ-CE 3.77Å; F940-M1056 HydrophobicContact CZ-SD 3.71Å; C945-M1056 PolarHBondContact SG-O 3.05Å; C945-M1056 VanDerWaalsContact SG-O 3.33Å; I1049-M1056 HydrophobicContact CG1-SD 4.49Å; M1056-I1058 VanDerWaalsContact C-N 3.27Å; M1056-I1058 HydrophobicContact CB-CG1 4.44Å; M1056-I1058 HydrophobicContact CE-CD1 4.06Å; M1056-I1058 HydrophobicContact CG-CD1 4Å; M1056-I1058 HydrophobicContact CG-CG1 3.99Å; M1056-I1058 PolarHBondContact O-N 3.11Å; M1056-I1058 VanDerWaalsContact O-N 3.14Å; M1056-I1058 HydrophobicContact SD-CD1 4.02Å; M1056-I1058 HydrophobicContact SD-CG1 4.32Å | ||
| 1057 | N | 59.6 | Low | 65.8 | Low | 47.4 Ų | 47.4 | 71.2 Ų | 71.2 | 25% | 0.253 | 39% | 0.389 | S | S | . | . | trans | -86 | 69.7 | 172.4 | -107 | -14.3 | 0 | 0 | 0 | 108.7 | E1055 F1059 N1060 | E1055-N1057 PolarHBondContact O-N 3.09Å; E1055-N1057 PolarHBondContact OE2-ND2 3.13Å; E1055-N1057 VanDerWaalsContact OE2-ND2 3.1Å; N1057-F1059 PolarHBondContact O-N 2.88Å; N1057-F1059 VanDerWaalsContact O-N 3.13Å; N1057-N1060 PolarHBondContact O-N 3.18Å; N1057-N1060 VanDerWaalsContact O-N 3.17Å | ||
| 1058 | I | 66.4 | Low | 65.8 | Low | 11.4 Ų | 11.4 | 70.8 Ų | 70.8 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.6 | -174.1 | -54.7 | 180 | 0 | 0 | 0 | 111.7 | F940 L1045 S1048 I1049 M1056 N1060 Y1106 | F940-I1058 HydrophobicContact CD1-CD1 3.93Å; F940-I1058 HydrophobicContact CD1-CG1 3.86Å; F940-I1058 HydrophobicContact CE1-CB 4.19Å; F940-I1058 HydrophobicContact CE1-CD1 3.29Å; F940-I1058 HydrophobicContact CE1-CG1 3.43Å; F940-I1058 VanDerWaalsContact CE1-CG1 3.43Å; F940-I1058 HydrophobicContact CZ-CD1 4.03Å; F940-I1058 HydrophobicContact CZ-CG1 4.25Å; L1045-I1058 HydrophobicContact CD1-CD1 4.23Å; L1045-I1058 HydrophobicContact CD1-CG2 3.85Å; L1045-I1058 HydrophobicContact CG-CG2 4.06Å; S1048-I1058 WeakPolarHBondContact CB-O 3.36Å; S1048-I1058 VanDerWaalsContact OG-CG2 3.31Å; S1048-I1058 WeakPolarHBondContact OG-CG2 3.34Å; I1049-I1058 HydrophobicContact CG1-CD1 4.27Å; M1056-I1058 VanDerWaalsContact C-N 3.27Å; M1056-I1058 HydrophobicContact CB-CG1 4.44Å; M1056-I1058 HydrophobicContact CE-CD1 4.06Å; M1056-I1058 HydrophobicContact CG-CD1 4Å; M1056-I1058 HydrophobicContact CG-CG1 3.99Å; M1056-I1058 PolarHBondContact O-N 3.11Å; M1056-I1058 VanDerWaalsContact O-N 3.14Å; M1056-I1058 HydrophobicContact SD-CD1 4.02Å; M1056-I1058 HydrophobicContact SD-CG1 4.32Å; I1058-N1060 VanDerWaalsContact C-N 3.32Å; I1058-N1060 PolarHBondContact O-N 3.28Å; I1058-Y1106 HydrophobicContact CB-CE2 4.47Å; I1058-Y1106 HydrophobicContact CG2-CE2 3.7Å; I1058-Y1106 WeakPolarHBondContact O-CE2 3.45Å; I1058-Y1106 PolarHBondContact O-OH 3.3Å; I1058-Y1106 VanDerWaalsContact O-OH 3.08Å |
| 1059 | F | 67.1 | Low | 66.2 | Low | 22.4 Ų | 22.4 | 71.4 Ų | 71.4 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.9 | -175.7 | -58.9 | -75.9 | 0 | 0 | 0 | 115 | W884 C945 L949 N1057 P1061 Y1106 N1109 | W884-F1059 HydrophobicContact CZ3-CZ 4.37Å; C945-F1059 HydrophobicContact CB-CD2 4.01Å; C945-F1059 HydrophobicContact CB-CE2 3.62Å; C945-F1059 HydrophobicContact CB-CZ 4.18Å; C945-F1059 VanDerWaalsContact SG-CD2 3.56Å; C945-F1059 VanDerWaalsContact SG-CE2 3.51Å; C945-F1059 WeakPolarHBondContact SG-CZ 3.39Å; L949-F1059 HydrophobicContact CB-CD2 4.44Å; L949-F1059 HydrophobicContact CB-CE2 4.24Å; L949-F1059 HydrophobicContact CD1-CD1 4.01Å; L949-F1059 HydrophobicContact CD1-CD2 4.17Å; L949-F1059 HydrophobicContact CD1-CE1 3.31Å; L949-F1059 HydrophobicContact CD1-CE2 3.53Å; L949-F1059 HydrophobicContact CD1-CG 4.4Å; L949-F1059 HydrophobicContact CD1-CZ 3.08Å; L949-F1059 HydrophobicContact CG-CZ 4.41Å; N1057-F1059 PolarHBondContact O-N 2.88Å; N1057-F1059 VanDerWaalsContact O-N 3.13Å; F1059-P1061 WeakPolarHBondContact O-CD 3.33Å; F1059-Y1106 AromaticContact CD1-CD2 3.8Å; F1059-Y1106 HydrophobicContact CD1-CD2 3.8Å; F1059-Y1106 AromaticContact CD1-CE2 3.91Å; F1059-Y1106 HydrophobicContact CD1-CE2 3.91Å; F1059-Y1106 AromaticContact CE1-CD2 3.61Å; F1059-Y1106 HydrophobicContact CE1-CD2 3.61Å; F1059-Y1106 VanDerWaalsContact CE1-CD2 3.47Å; F1059-Y1106 AromaticContact CE1-CE2 3.99Å; F1059-Y1106 HydrophobicContact CE1-CE2 4.06Å; F1059-Y1106 HydrophobicContact CG-CE2 4.48Å; F1059-Y1106 HydrophobicContact CZ-CD2 4.37Å; F1059-N1109 HydrophobicContact CB-CB 4.47Å; F1059-N1109 HydrophobicContact CD1-CB 3.75Å; F1059-N1109 HydrophobicContact CE1-CB 4.34Å; F1059-N1109 HydrophobicContact CG-CB 4.38Å |
| 1060 | N | 68.7 | Low | 66.7 | Low | 86.4 Ų | 86.4 | 71.5 Ų | 71.5 | 46% | 0.462 | 40% | 0.395 | S | S | . | . | trans | -122.1 | 60.3 | 179.4 | -73.8 | -26.4 | 0 | 0 | 0 | 112.7 | N1057 I1058 | N1057-N1060 PolarHBondContact O-N 3.18Å; N1057-N1060 VanDerWaalsContact O-N 3.17Å; I1058-N1060 VanDerWaalsContact C-N 3.32Å; I1058-N1060 PolarHBondContact O-N 3.28Å | ||
| 1061 | P | 70.3 | Confident | 67.4 | Low | 15.6 Ų | 15.6 | 68.5 Ų | 68.5 | 10% | 0.101 | 38% | 0.382 | C | S | . | . | trans | -65.8 | 138.1 | 172 | 28.9 | -33.5 | 0 | 0 | 0 | 110.6 | L1044 F1059 I1063 V1110 | L1044-P1061 HydrophobicContact CD2-CG 4.42Å; F1059-P1061 WeakPolarHBondContact O-CD 3.33Å; P1061-I1063 HydrophobicContact CB-CG1 4.08Å; P1061-I1063 HydrophobicContact CG-CD1 3.94Å; P1061-I1063 HydrophobicContact CG-CG1 3.95Å; P1061-I1063 PolarHBondContact O-N 3.1Å; P1061-I1063 VanDerWaalsContact O-N 3.1Å; P1061-V1110 HydrophobicContact CG-CG1 3.61Å; P1061-V1110 HydrophobicContact CG-CG2 4.37Å | ||
| 1062 | T | 68.9 | Low | 68.3 | Low | 104.6 Ų | 104.6 | 65.3 Ų | 65.3 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | trans | -78.3 | 99.9 | 168.5 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | Q1051 | Q1051-T1062 PolarHBondContact NE2-O 3.18Å; Q1051-T1062 VanDerWaalsContact NE2-O 3.08Å; Q1051-T1062 PolarHBondContact NE2-OG1 3.03Å; Q1051-T1062 PolarHBondContact OE1-OG1 3.22Å | ||
| 1063 | I | 71.2 | Confident | 69.6 | Low | 37.8 Ų | 37.8 | 62.5 Ų | 62.5 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | trans | -97.9 | 131.2 | -177.7 | -50.9 | 169.7 | 0 | 0 | 0 | 109 | L1044 P1061 S1067 I1070 V1110 F1111 | L1044-I1063 HydrophobicContact CD1-CD1 4.33Å; L1044-I1063 HydrophobicContact CD2-CD1 3.51Å; L1044-I1063 VanDerWaalsContact CD2-CD1 3.48Å; L1044-I1063 HydrophobicContact CD2-CG1 3.77Å; P1061-I1063 HydrophobicContact CB-CG1 4.08Å; P1061-I1063 HydrophobicContact CG-CD1 3.94Å; P1061-I1063 HydrophobicContact CG-CG1 3.95Å; P1061-I1063 PolarHBondContact O-N 3.1Å; P1061-I1063 VanDerWaalsContact O-N 3.1Å; I1063-S1067 VanDerWaalsContact CG2-OG 3.28Å; I1063-S1067 WeakPolarHBondContact CG2-OG 3.23Å; I1063-I1070 HydrophobicContact CB-CD1 4.01Å; I1063-I1070 HydrophobicContact CG2-CD1 3.53Å; I1063-I1070 VanDerWaalsContact CG2-CD1 3.5Å; I1063-I1070 HydrophobicContact CG2-CG1 3.83Å; I1063-V1110 HydrophobicContact CD1-CG1 3.9Å; I1063-F1111 HydrophobicContact CD1-CE1 3.56Å; I1063-F1111 HydrophobicContact CD1-CE2 4.3Å; I1063-F1111 HydrophobicContact CD1-CZ 3.36Å | ||
| 1064 | H | 70.3 | Confident | 71.1 | Confident | 132.4 Ų | 132.4 | 59.6 Ų | 59.6 | 61% | 0.613 | 33% | 0.334 | S | S | * | . | trans | -62 | 131.1 | 174.1 | -154.1 | -80.8 | 0 | 0 | 0 | 110.1 | N1066 S1067 I1070 | H1064-N1066 PolarHBondContact ND1-N 3.35Å; H1064-N1066 PolarHBondContact O-N 3.25Å; H1064-N1066 VanDerWaalsContact O-N 3.1Å; H1064-S1067 VanDerWaalsContact O-CB 3.27Å; H1064-S1067 WeakPolarHBondContact O-CB 3.41Å; H1064-S1067 PolarHBondContact O-N 3.12Å; H1064-S1067 PolarHBondContact O-OG 3.39Å; H1064-I1070 VanDerWaalsContact O-CD1 3.28Å; H1064-I1070 WeakPolarHBondContact O-CD1 3.3Å | ||
| 1065 | P | 65 | Low | 72.8 | Confident | 90 Ų | 90 | 57 Ų | 57 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.3 | -174.1 | 21.8 | -33.1 | 0 | 0 | 0 | 113.6 | S1067 | P1065-S1067 VanDerWaalsContact C-N 3.33Š|
| 1066 | N | 65.9 | Low | 74.6 | Confident | 124.2 Ų | 124.2 | 51 Ų | 51 | 66% | 0.664 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 14.3 | 176.6 | -59.9 | -15.2 | 0 | 0 | 0 | 113.7 | H1064 | H1064-N1066 PolarHBondContact ND1-N 3.35Å; H1064-N1066 PolarHBondContact O-N 3.25Å; H1064-N1066 VanDerWaalsContact O-N 3.1Å |
| 1067 | S | 76.6 | Confident | 76.4 | Confident | 25.4 Ų | 25.4 | 48 Ų | 48 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | trans | -61.4 | 140.2 | 174.7 | 138.2 | 0 | 0 | 0 | 0 | 110.2 | I1063 H1064 P1065 I1069 I1070 L1071 | I1063-S1067 VanDerWaalsContact CG2-OG 3.28Å; I1063-S1067 WeakPolarHBondContact CG2-OG 3.23Å; H1064-S1067 VanDerWaalsContact O-CB 3.27Å; H1064-S1067 WeakPolarHBondContact O-CB 3.41Å; H1064-S1067 PolarHBondContact O-N 3.12Å; H1064-S1067 PolarHBondContact O-OG 3.39Å; P1065-S1067 VanDerWaalsContact C-N 3.33Å; S1067-I1069 PolarHBondContact O-N 3.22Å; S1067-I1069 VanDerWaalsContact O-N 3.16Å; S1067-I1069 WeakPolarHBondContact OG-CB 3.41Å; S1067-I1069 PolarHBondContact OG-N 3.32Å; S1067-I1070 PolarHBondContact O-N 2.93Å; S1067-I1070 WeakPolarHBondContact OG-CG1 3.25Å; S1067-I1070 PolarHBondContact OG-N 3.15Å; S1067-L1071 PolarHBondContact O-N 3.28Å | ||
| 1068 | S | 77.9 | Confident | 77.8 | Confident | 55.4 Ų | 55.4 | 48 Ų | 48 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55 | -33.7 | 174 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | L1071 L1072 | S1068-L1071 PolarHBondContact O-N 3.01Å; S1068-L1072 WeakPolarHBondContact O-CB 3.34Å; S1068-L1072 VanDerWaalsContact O-CG 3.27Å; S1068-L1072 WeakPolarHBondContact O-CG 3.37Å; S1068-L1072 PolarHBondContact O-N 3.29Å |
| 1069 | I | 80.2 | Confident | 78.9 | Confident | 19.4 Ų | 19.4 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -53.8 | 178.9 | -61.5 | 169.4 | 0 | 0 | 0 | 110.8 | V1040 L1044 S1067 L1071 L1072 L1073 F1111 | V1040-I1069 HydrophobicContact CG1-CB 4.48Å; V1040-I1069 HydrophobicContact CG1-CD1 4.25Å; V1040-I1069 HydrophobicContact CG1-CG1 4.24Å; V1040-I1069 HydrophobicContact CG1-CG2 3.52Å; V1040-I1069 VanDerWaalsContact CG1-CG2 3.49Å; V1040-I1069 HydrophobicContact CG2-CG1 4.38Å; L1044-I1069 HydrophobicContact CD1-CG2 4.35Å; L1044-I1069 HydrophobicContact CD2-CD1 4.25Å; L1044-I1069 HydrophobicContact CG-CD1 4.33Å; S1067-I1069 PolarHBondContact O-N 3.22Å; S1067-I1069 VanDerWaalsContact O-N 3.16Å; S1067-I1069 WeakPolarHBondContact OG-CB 3.41Å; S1067-I1069 PolarHBondContact OG-N 3.32Å; I1069-L1071 PolarHBondContact O-N 3.23Å; I1069-L1072 PolarHBondContact O-N 3.17Å; I1069-L1073 WeakPolarHBondContact O-CB 3.35Å; I1069-L1073 PolarHBondContact O-N 3.18Å; I1069-F1111 HydrophobicContact CG2-CE2 4.43Å; I1069-F1111 HydrophobicContact CG2-CZ 4.19Å |
| 1070 | I | 80.6 | Confident | 80 | Confident | 55.4 Ų | 55.4 | 46.5 Ų | 46.5 | 28% | 0.284 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | -177.7 | -67.1 | 179.2 | 0 | 0 | 0 | 111 | I1063 H1064 S1067 P1074 F1111 | I1063-I1070 HydrophobicContact CB-CD1 4.01Å; I1063-I1070 HydrophobicContact CG2-CD1 3.53Å; I1063-I1070 VanDerWaalsContact CG2-CD1 3.5Å; I1063-I1070 HydrophobicContact CG2-CG1 3.83Å; H1064-I1070 VanDerWaalsContact O-CD1 3.28Å; H1064-I1070 WeakPolarHBondContact O-CD1 3.3Å; S1067-I1070 PolarHBondContact O-N 2.93Å; S1067-I1070 WeakPolarHBondContact OG-CG1 3.25Å; S1067-I1070 PolarHBondContact OG-N 3.15Å; I1070-P1074 VanDerWaalsContact O-CD 3.3Å; I1070-P1074 WeakPolarHBondContact O-CD 3.39Å; I1070-F1111 HydrophobicContact CD1-CE1 4.47Å; I1070-F1111 HydrophobicContact CG1-CE1 3.86Å; I1070-F1111 HydrophobicContact CG1-CZ 4.34Å |
| 1071 | L | 83 | Confident | 81 | Confident | 68.2 Ų | 68.2 | 42.5 Ų | 42.5 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -79.4 | -31.2 | -174.7 | -85.1 | 150.4 | 0 | 0 | 0 | 113.4 | L1001 K1005 S1067 S1068 I1069 Y1075 | L1001-L1071 HydrophobicContact CD1-CB 4.48Å; L1001-L1071 HydrophobicContact CD2-CB 4.15Å; L1001-L1071 HydrophobicContact CD2-CD1 3.35Å; L1001-L1071 HydrophobicContact CD2-CD2 3.82Å; L1001-L1071 HydrophobicContact CD2-CG 4.36Å; L1001-L1071 HydrophobicContact CG-CD1 4.46Å; L1001-L1071 HydrophobicContact CG-CD2 4Å; K1005-L1071 HydrophobicContact CD-CD2 4.06Å; S1067-L1071 PolarHBondContact O-N 3.28Å; S1068-L1071 PolarHBondContact O-N 3.01Å; I1069-L1071 PolarHBondContact O-N 3.23Å; L1071-Y1075 WeakPolarHBondContact O-CD2 3.3Å |
| 1072 | L | 86.8 | Confident | 81.7 | Confident | 1.6 Ų | 1.6 | 42.4 Ų | 42.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -95.2 | -27.9 | -177.8 | -61.3 | 173.8 | 0 | 0 | 0 | 113.3 | L1001 R1004 K1005 I1008 W1036 S1068 I1069 Y1075 M1076 | L1001-L1072 HydrophobicContact CD1-CD1 3.91Å; L1001-L1072 HydrophobicContact CD1-CD2 4.09Å; L1001-L1072 HydrophobicContact CD1-CG 3.85Å; R1004-L1072 HydrophobicContact CB-CD1 4.4Å; R1004-L1072 HydrophobicContact CB-CD2 4.21Å; K1005-L1072 HydrophobicContact CB-CD2 4.22Å; I1008-L1072 HydrophobicContact CD1-CB 4.19Å; I1008-L1072 HydrophobicContact CD1-CD2 3.64Å; I1008-L1072 VanDerWaalsContact CD1-CD2 3.5Å; I1008-L1072 HydrophobicContact CD1-CG 4.39Å; W1036-L1072 HydrophobicContact CZ2-CB 4.2Å; S1068-L1072 WeakPolarHBondContact O-CB 3.34Å; S1068-L1072 VanDerWaalsContact O-CG 3.27Å; S1068-L1072 WeakPolarHBondContact O-CG 3.37Å; S1068-L1072 PolarHBondContact O-N 3.29Å; I1069-L1072 PolarHBondContact O-N 3.17Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.37Å; L1072-Y1075 PolarHBondContact O-N 3.14Å; L1072-Y1075 VanDerWaalsContact O-N 3.08Å; L1072-M1076 WeakPolarHBondContact O-CG 3.36Å; L1072-M1076 PolarHBondContact O-N 3.18Å |
| 1073 | L | 89.1 | Confident | 82.7 | Confident | 1.6 Ų | 1.6 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.7 | -47.1 | -174.3 | -178.4 | 68.9 | 0 | 0 | 0 | 113.9 | W1036 F1037 I1069 Y1075 M1076 V1077 L1107 F1111 L1117 F1121 | W1036-L1073 HydrophobicContact CH2-CB 4.29Å; W1036-L1073 HydrophobicContact CH2-CD1 4Å; W1036-L1073 HydrophobicContact CZ3-CD1 3.85Å; F1037-L1073 HydrophobicContact CD1-CD1 4.47Å; F1037-L1073 HydrophobicContact CE1-CD1 3.76Å; I1069-L1073 WeakPolarHBondContact O-CB 3.35Å; I1069-L1073 PolarHBondContact O-N 3.18Å; L1073-Y1075 VanDerWaalsContact C-N 3.26Å; L1073-Y1075 PolarHBondContact O-N 3.27Å; L1073-M1076 PolarHBondContact O-N 3Å; L1073-M1076 VanDerWaalsContact O-N 3.15Å; L1073-V1077 HydrophobicContact CD1-CG2 3.87Å; L1073-V1077 HydrophobicContact CG-CG2 4.16Å; L1073-V1077 VanDerWaalsContact O-CG2 3.29Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.36Å; L1073-V1077 PolarHBondContact O-N 3.28Å; L1073-L1107 HydrophobicContact CD1-CD1 4.29Å; L1073-F1111 HydrophobicContact CD2-CB 4.46Å; L1073-F1111 HydrophobicContact CD2-CD2 3.34Å; L1073-F1111 VanDerWaalsContact CD2-CD2 3.49Å; L1073-F1111 HydrophobicContact CD2-CE2 3.42Å; L1073-F1111 VanDerWaalsContact CD2-CE2 3.47Å; L1073-F1111 HydrophobicContact CD2-CG 3.99Å; L1073-F1111 HydrophobicContact CD2-CZ 4.12Å; L1073-L1117 HydrophobicContact CD2-CD1 4.03Å; L1073-L1117 HydrophobicContact CD2-CD2 4.41Å; L1073-L1117 HydrophobicContact CG-CD1 4.16Å; L1073-F1121 HydrophobicContact CD1-CZ 4.17Å; L1073-F1121 HydrophobicContact CD2-CZ 4.26Å; L1073-F1121 HydrophobicContact CG-CZ 4.34Å |
| 1074 | P | 87.8 | Confident | 83.5 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.2 | -38.5 | 177.8 | -22.9 | 33.2 | 0 | 0 | 0 | 113.2 | I1070 H1078 L1117 | I1070-P1074 VanDerWaalsContact O-CD 3.3Å; I1070-P1074 WeakPolarHBondContact O-CD 3.39Å; P1074-H1078 VanDerWaalsContact O-CB 3.25Å; P1074-H1078 WeakPolarHBondContact O-CB 3.34Å; P1074-H1078 PolarHBondContact O-N 3.2Å; P1074-H1078 VanDerWaalsContact O-N 3.09Å; P1074-L1117 HydrophobicContact CB-CB 4.47Å; P1074-L1117 HydrophobicContact CB-CD1 4.15Å; P1074-L1117 HydrophobicContact CG-CD1 4.06Å |
| 1075 | Y | 88.5 | Confident | 84.2 | Confident | 62.2 Ų | 62.2 | 29.5 Ų | 29.5 | 24% | 0.244 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.1 | -37.2 | 179.3 | -62.8 | -85 | 0 | 0 | 0 | 112.1 | K1005 E1009 I1012 L1071 L1072 L1073 H1078 L1079 | K1005-Y1075 HydrophobicContact CD-CE2 4.39Å; K1005-Y1075 VanDerWaalsContact CE-CZ 3.47Å; K1005-Y1075 WeakPolarHBondContact CE-OH 3.33Å; K1005-Y1075 HydrophobicContact CG-CE2 4.22Å; K1005-Y1075 PolarHBondContact NZ-OH 3.1Å; E1009-Y1075 HydrophobicContact CG-CD1 3.91Å; E1009-Y1075 HydrophobicContact CG-CE1 3.56Å; E1009-Y1075 VanDerWaalsContact OE1-CE1 3.26Å; E1009-Y1075 WeakPolarHBondContact OE1-CE1 3.38Å; E1009-Y1075 VanDerWaalsContact OE1-CZ 3.28Å; E1009-Y1075 PolarHBondContact OE1-OH 3.08Å; I1012-Y1075 HydrophobicContact CD1-CD1 4.22Å; L1071-Y1075 WeakPolarHBondContact O-CD2 3.3Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.37Å; L1072-Y1075 PolarHBondContact O-N 3.14Å; L1072-Y1075 VanDerWaalsContact O-N 3.08Å; L1073-Y1075 VanDerWaalsContact C-N 3.26Å; L1073-Y1075 PolarHBondContact O-N 3.27Å; Y1075-H1078 PolarHBondContact O-N 3.06Å; Y1075-L1079 VanDerWaalsContact O-CB 3.29Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.38Å; Y1075-L1079 PolarHBondContact O-N 3.05Å |
| 1076 | M | 90.5 | Very high | 85 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 177.2 | -68.3 | -60.6 | -157.8 | 0 | 0 | 112.3 | L994 I1008 F1032 L1033 W1036 F1037 L1072 L1073 H1078 L1079 A1080 | L994-M1076 HydrophobicContact CD1-CE 3.58Å; L994-M1076 HydrophobicContact CD2-CE 4.03Å; L994-M1076 HydrophobicContact CD2-SD 4.35Å; L994-M1076 HydrophobicContact CG-CE 3.97Å; I1008-M1076 HydrophobicContact CD1-CE 3.7Å; I1008-M1076 HydrophobicContact CD1-CG 4.17Å; I1008-M1076 HydrophobicContact CD1-SD 3.8Å; I1008-M1076 HydrophobicContact CG1-CE 4.26Å; I1008-M1076 HydrophobicContact CG1-SD 4.26Å; I1008-M1076 HydrophobicContact CG2-SD 4.35Å; F1032-M1076 HydrophobicContact CE1-CE 4.04Å; F1032-M1076 HydrophobicContact CE1-SD 4.43Å; F1032-M1076 HydrophobicContact CZ-CE 4.05Å; L1033-M1076 HydrophobicContact CD2-SD 4.1Å; W1036-M1076 HydrophobicContact CD2-CE 4.05Å; W1036-M1076 HydrophobicContact CD2-CG 4.11Å; W1036-M1076 HydrophobicContact CE3-CB 3.97Å; W1036-M1076 HydrophobicContact CE3-CG 3.86Å; W1036-M1076 HydrophobicContact CG-CE 4.16Å; W1036-M1076 HydrophobicContact CH2-CB 3.97Å; W1036-M1076 HydrophobicContact CH2-CG 3.65Å; W1036-M1076 HydrophobicContact CZ2-CE 4.31Å; W1036-M1076 HydrophobicContact CZ2-CG 3.89Å; W1036-M1076 HydrophobicContact CZ3-CB 3.57Å; W1036-M1076 HydrophobicContact CZ3-CG 3.63Å; F1037-M1076 HydrophobicContact CE2-CB 4.16Å; F1037-M1076 HydrophobicContact CZ-CB 3.97Å; L1072-M1076 WeakPolarHBondContact O-CG 3.36Å; L1072-M1076 PolarHBondContact O-N 3.18Å; L1073-M1076 PolarHBondContact O-N 3Å; L1073-M1076 VanDerWaalsContact O-N 3.15Å; M1076-H1078 VanDerWaalsContact C-N 3.33Å; M1076-L1079 PolarHBondContact O-N 2.99Å; M1076-A1080 WeakPolarHBondContact O-CB 3.36Å; M1076-A1080 PolarHBondContact O-N 3.24Å |
| 1077 | V | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 176.3 | -179 | 0 | 0 | 0 | 0 | 109.9 | F1037 L1073 L1079 A1080 C1081 L1117 D1120 F1121 | F1037-V1077 HydrophobicContact CE1-CG2 3.68Å; F1037-V1077 HydrophobicContact CZ-CB 4.3Å; F1037-V1077 HydrophobicContact CZ-CG2 3.59Å; L1073-V1077 HydrophobicContact CD1-CG2 3.87Å; L1073-V1077 HydrophobicContact CG-CG2 4.16Å; L1073-V1077 VanDerWaalsContact O-CG2 3.29Å; L1073-V1077 WeakPolarHBondContact O-CG2 3.36Å; L1073-V1077 PolarHBondContact O-N 3.28Å; V1077-L1079 VanDerWaalsContact C-N 3.33Å; V1077-L1079 PolarHBondContact O-N 3.24Å; V1077-A1080 PolarHBondContact O-N 3.25Å; V1077-C1081 WeakPolarHBondContact O-CB 3.37Å; V1077-C1081 PolarHBondContact O-N 3.21Å; V1077-C1081 PolarHBondContact O-SG 3.18Å; V1077-L1117 HydrophobicContact CB-CD1 4.16Å; V1077-L1117 HydrophobicContact CG2-CD1 3.96Å; V1077-D1120 HydrophobicContact CG1-CB 3.73Å; V1077-F1121 HydrophobicContact CB-CE1 4.38Å; V1077-F1121 HydrophobicContact CG1-CD1 3.73Å; V1077-F1121 HydrophobicContact CG1-CD2 4.45Å; V1077-F1121 HydrophobicContact CG1-CE1 4.01Å; V1077-F1121 HydrophobicContact CG1-CG 4.02Å; V1077-F1121 HydrophobicContact CG1-CZ 4.44Å; V1077-F1121 HydrophobicContact CG2-CD1 3.97Å; V1077-F1121 HydrophobicContact CG2-CD2 4.47Å; V1077-F1121 HydrophobicContact CG2-CE1 3.36Å; V1077-F1121 VanDerWaalsContact CG2-CE1 3.48Å; V1077-F1121 HydrophobicContact CG2-CE2 4.07Å; V1077-F1121 HydrophobicContact CG2-CZ 3.42Å; V1077-F1121 VanDerWaalsContact CG2-CZ 3.44Å |
| 1078 | H | 88.1 | Confident | 86.3 | Confident | 47.8 Ų | 47.8 | 24.8 Ų | 24.8 | 22% | 0.221 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.4 | -167.9 | 68.8 | 0 | 0 | 0 | 112.2 | P1074 Y1075 M1076 C1081 L1082 D1120 | P1074-H1078 VanDerWaalsContact O-CB 3.25Å; P1074-H1078 WeakPolarHBondContact O-CB 3.34Å; P1074-H1078 PolarHBondContact O-N 3.2Å; P1074-H1078 VanDerWaalsContact O-N 3.09Å; Y1075-H1078 PolarHBondContact O-N 3.06Å; M1076-H1078 VanDerWaalsContact C-N 3.33Å; H1078-C1081 PolarHBondContact O-N 3.11Å; H1078-L1082 VanDerWaalsContact CD2-CD1 3.49Å; H1078-L1082 WeakPolarHBondContact CD2-CD1 3.14Å; H1078-L1082 VanDerWaalsContact NE2-CD1 3.34Å; H1078-L1082 WeakPolarHBondContact NE2-CD1 3.32Å; H1078-L1082 WeakPolarHBondContact O-CB 3.43Å; H1078-L1082 WeakPolarHBondContact O-CG 3.24Å; H1078-L1082 PolarHBondContact O-N 2.97Å; H1078-D1120 IonicContact CE1-OD2 2.98Å; H1078-D1120 IonicContact CG-OD2 3.25Å; H1078-D1120 IonicContact ND1-OD2 3.11Å; H1078-D1120 PolarHBondContact ND1-OD2 3.02Å |
| 1079 | L | 90 | Very high | 86.7 | Confident | 0.6 Ų | 0.6 | 24.6 Ų | 24.6 | 0% | 0.003 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 175.6 | -179.4 | 63.4 | 0 | 0 | 0 | 111.5 | I1008 V1011 I1012 I1015 L1033 Y1075 M1076 V1077 C1081 L1082 T1083 | I1008-L1079 HydrophobicContact CG2-CD2 4.45Å; V1011-L1079 HydrophobicContact CG1-CD1 3.87Å; V1011-L1079 HydrophobicContact CG1-CD2 4.03Å; I1012-L1079 HydrophobicContact CD1-CB 4.45Å; I1012-L1079 HydrophobicContact CG1-CB 4.12Å; I1012-L1079 HydrophobicContact CG1-CD1 3.97Å; I1015-L1079 HydrophobicContact CD1-CD1 3.43Å; I1015-L1079 VanDerWaalsContact CD1-CD1 3.44Å; I1015-L1079 HydrophobicContact CG1-CD1 4.09Å; I1015-L1079 HydrophobicContact CG2-CD1 4.4Å; L1033-L1079 HydrophobicContact CD1-CG 4.33Å; L1033-L1079 HydrophobicContact CD2-CD2 4.15Å; Y1075-L1079 VanDerWaalsContact O-CB 3.29Å; Y1075-L1079 WeakPolarHBondContact O-CB 3.38Å; Y1075-L1079 PolarHBondContact O-N 3.05Å; M1076-L1079 PolarHBondContact O-N 2.99Å; V1077-L1079 VanDerWaalsContact C-N 3.33Å; V1077-L1079 PolarHBondContact O-N 3.24Å; L1079-C1081 VanDerWaalsContact C-N 3.34Å; L1079-C1081 PolarHBondContact O-N 3.37Å; L1079-L1082 PolarHBondContact O-N 3.08Å; L1079-T1083 HydrophobicContact CD1-CG2 4.26Å; L1079-T1083 WeakPolarHBondContact O-CB 3.24Å; L1079-T1083 VanDerWaalsContact O-CG2 3.29Å; L1079-T1083 WeakPolarHBondContact O-CG2 3.38Å; L1079-T1083 PolarHBondContact O-N 3.06Å; L1079-T1083 PolarHBondContact O-OG1 3.18Å; L1079-T1083 VanDerWaalsContact O-OG1 3.08Å |
| 1080 | A | 91 | Very high | 87 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1033 F1037 M1076 V1077 T1083 A1084 F1094 L1124 | L1033-A1080 HydrophobicContact CD1-CB 4.01Å; F1037-A1080 HydrophobicContact CE2-CB 4.16Å; M1076-A1080 WeakPolarHBondContact O-CB 3.36Å; M1076-A1080 PolarHBondContact O-N 3.24Å; V1077-A1080 PolarHBondContact O-N 3.25Å; A1080-T1083 WeakPolarHBondContact CA-OG1 3.24Å; A1080-T1083 PolarHBondContact O-N 2.88Å; A1080-T1083 PolarHBondContact O-OG1 3.03Å; A1080-T1083 VanDerWaalsContact O-OG1 3.09Å; A1080-A1084 VanDerWaalsContact O-CB 3.24Å; A1080-A1084 WeakPolarHBondContact O-CB 3.42Å; A1080-A1084 PolarHBondContact O-N 3.27Å; A1080-F1094 HydrophobicContact CB-CE2 4.25Å; A1080-F1094 HydrophobicContact CB-CZ 4.35Å; A1080-L1124 HydrophobicContact CB-CD1 4.31Å; A1080-L1124 HydrophobicContact CB-CD2 3.77Å |
| 1081 | C | 88.8 | Confident | 87.4 | Confident | 2.8 Ų | 2.8 | 21.2 Ų | 21.2 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.4 | -153.6 | 0 | 0 | 0 | 0 | 111.7 | R968 V1077 H1078 L1079 T1083 A1084 I1085 D1120 D1123 | R968-C1081 PolarHBondContact NH1-SG 3.02Å; V1077-C1081 WeakPolarHBondContact O-CB 3.37Å; V1077-C1081 PolarHBondContact O-N 3.21Å; V1077-C1081 PolarHBondContact O-SG 3.18Å; H1078-C1081 PolarHBondContact O-N 3.11Å; L1079-C1081 VanDerWaalsContact C-N 3.34Å; L1079-C1081 PolarHBondContact O-N 3.37Å; C1081-T1083 VanDerWaalsContact C-N 3.35Å; C1081-T1083 PolarHBondContact O-N 3.23Å; C1081-A1084 PolarHBondContact O-N 3.24Å; C1081-I1085 WeakPolarHBondContact O-CD1 3.27Å; C1081-I1085 VanDerWaalsContact O-CG1 3.25Å; C1081-I1085 WeakPolarHBondContact O-CG1 3.43Å; C1081-I1085 PolarHBondContact O-N 3.07Å; C1081-I1085 VanDerWaalsContact O-N 3.07Å; C1081-D1120 PolarHBondContact SG-O 3.19Å; C1081-D1123 VanDerWaalsContact SG-CB 3.56Å |
| 1082 | L | 86.2 | Confident | 87.5 | Confident | 13.4 Ų | 13.4 | 21.2 Ų | 21.2 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 178 | -75.9 | 175.2 | 0 | 0 | 0 | 112.4 | R968 I1012 I1015 H1078 L1079 A1084 I1085 W1086 | R968-L1082 HydrophobicContact CB-CD2 4.2Å; R968-L1082 HydrophobicContact CG-CD2 4.25Å; I1012-L1082 HydrophobicContact CG2-CD1 3.78Å; I1015-L1082 HydrophobicContact CD1-CB 3.81Å; I1015-L1082 HydrophobicContact CD1-CD1 4.26Å; H1078-L1082 VanDerWaalsContact CD2-CD1 3.49Å; H1078-L1082 WeakPolarHBondContact CD2-CD1 3.14Å; H1078-L1082 VanDerWaalsContact NE2-CD1 3.34Å; H1078-L1082 WeakPolarHBondContact NE2-CD1 3.32Å; H1078-L1082 WeakPolarHBondContact O-CB 3.43Å; H1078-L1082 WeakPolarHBondContact O-CG 3.24Å; H1078-L1082 PolarHBondContact O-N 2.97Å; L1079-L1082 PolarHBondContact O-N 3.08Å; L1082-A1084 VanDerWaalsContact C-N 3.34Å; L1082-A1084 PolarHBondContact O-N 2.95Å; L1082-I1085 PolarHBondContact O-N 3.03Å; L1082-I1085 VanDerWaalsContact O-N 3.15Å; L1082-W1086 HydrophobicContact CB-CE3 4.14Å; L1082-W1086 HydrophobicContact CB-CH2 4.25Å; L1082-W1086 HydrophobicContact CB-CZ3 3.75Å; L1082-W1086 HydrophobicContact CD1-CH2 4.15Å; L1082-W1086 HydrophobicContact CD1-CZ3 4.08Å; L1082-W1086 HydrophobicContact CD2-CH2 3.55Å; L1082-W1086 HydrophobicContact CD2-CZ2 4.01Å; L1082-W1086 HydrophobicContact CD2-CZ3 3.97Å; L1082-W1086 HydrophobicContact CG-CH2 4.2Å; L1082-W1086 HydrophobicContact CG-CZ3 4.16Å; L1082-W1086 VanDerWaalsContact O-CD1 3.24Å; L1082-W1086 PolarHBondContact O-N 3.23Å; L1082-W1086 VanDerWaalsContact O-N 3.12Å |
| 1083 | T | 88.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | I1015 L1021 W1024 L1079 A1080 C1081 I1085 W1086 D1087 T1090 | I1015-T1083 HydrophobicContact CD1-CG2 3.61Å; L1021-T1083 HydrophobicContact CD1-CG2 3.89Å; W1024-T1083 HydrophobicContact CD2-CG2 4.31Å; W1024-T1083 HydrophobicContact CE3-CG2 3.99Å; W1024-T1083 HydrophobicContact CH2-CG2 3.63Å; W1024-T1083 HydrophobicContact CZ2-CG2 4.11Å; W1024-T1083 HydrophobicContact CZ3-CG2 3.54Å; W1024-T1083 VanDerWaalsContact CZ3-CG2 3.49Å; L1079-T1083 HydrophobicContact CD1-CG2 4.26Å; L1079-T1083 WeakPolarHBondContact O-CB 3.24Å; L1079-T1083 VanDerWaalsContact O-CG2 3.29Å; L1079-T1083 WeakPolarHBondContact O-CG2 3.38Å; L1079-T1083 PolarHBondContact O-N 3.06Å; L1079-T1083 PolarHBondContact O-OG1 3.18Å; L1079-T1083 VanDerWaalsContact O-OG1 3.08Å; A1080-T1083 WeakPolarHBondContact CA-OG1 3.24Å; A1080-T1083 PolarHBondContact O-N 2.88Å; A1080-T1083 PolarHBondContact O-OG1 3.03Å; A1080-T1083 VanDerWaalsContact O-OG1 3.09Å; C1081-T1083 VanDerWaalsContact C-N 3.35Å; C1081-T1083 PolarHBondContact O-N 3.23Å; T1083-I1085 VanDerWaalsContact C-N 3.31Å; T1083-I1085 PolarHBondContact O-N 3.14Å; T1083-W1086 PolarHBondContact O-N 3.22Å; T1083-D1087 WeakPolarHBondContact O-CB 3.24Å; T1083-D1087 PolarHBondContact O-N 3.16Å; T1083-T1090 PolarHBondContact O-OG1 3.22Å |
| 1084 | A | 88.7 | Confident | 87.5 | Confident | 0.2 Ų | 0.2 | 23.3 Ų | 23.3 | 0% | 0.002 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -32.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1080 C1081 L1082 R1091 F1094 L1124 L1127 | A1080-A1084 VanDerWaalsContact O-CB 3.24Å; A1080-A1084 WeakPolarHBondContact O-CB 3.42Å; A1080-A1084 PolarHBondContact O-N 3.27Å; C1081-A1084 PolarHBondContact O-N 3.24Å; L1082-A1084 VanDerWaalsContact C-N 3.34Å; L1082-A1084 PolarHBondContact O-N 2.95Å; A1084-R1091 HydrophobicContact CB-CG 4.01Å; A1084-R1091 WeakPolarHBondContact O-CD 3.42Å; A1084-R1091 WeakPolarHBondContact O-CG 3.38Å; A1084-R1091 PolarHBondContact O-NH1 3.17Å; A1084-F1094 HydrophobicContact CB-CD2 4.12Å; A1084-F1094 HydrophobicContact CB-CE2 4.14Å; A1084-L1124 HydrophobicContact CB-CD1 3.91Å; A1084-L1127 HydrophobicContact CB-CB 4.47Å; A1084-L1127 HydrophobicContact CB-CD1 3.98Å |
| 1085 | I | 85.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -51.4 | 175.6 | -71.2 | 163.5 | 0 | 0 | 0 | 110.6 | L964 L966 C1081 L1082 T1083 R1091 L1127 P1141 I1142 | L964-I1085 HydrophobicContact CD1-CD1 4.02Å; L964-I1085 HydrophobicContact CD2-CD1 3.75Å; L964-I1085 VanDerWaalsContact CD2-CD1 3.48Å; L964-I1085 HydrophobicContact CD2-CG1 4.23Å; L964-I1085 HydrophobicContact CG-CD1 3.81Å; L964-I1085 HydrophobicContact CG-CG1 4.39Å; L966-I1085 HydrophobicContact CD2-CD1 3.82Å; L966-I1085 HydrophobicContact CD2-CG1 4.1Å; L966-I1085 HydrophobicContact CD2-CG2 3.92Å; C1081-I1085 WeakPolarHBondContact O-CD1 3.27Å; C1081-I1085 VanDerWaalsContact O-CG1 3.25Å; C1081-I1085 WeakPolarHBondContact O-CG1 3.43Å; C1081-I1085 PolarHBondContact O-N 3.07Å; C1081-I1085 VanDerWaalsContact O-N 3.07Å; L1082-I1085 PolarHBondContact O-N 3.03Å; L1082-I1085 VanDerWaalsContact O-N 3.15Å; T1083-I1085 VanDerWaalsContact C-N 3.31Å; T1083-I1085 PolarHBondContact O-N 3.14Å; I1085-R1091 PolarHBondContact O-NH1 3.27Å; I1085-L1127 HydrophobicContact CD1-CD1 4.5Å; I1085-L1127 HydrophobicContact CG1-CD1 3.68Å; I1085-P1141 HydrophobicContact CG2-CB 4.28Å; I1085-P1141 HydrophobicContact CG2-CG 3.73Å; I1085-P1141 WeakPolarHBondContact O-CB 3.33Å; I1085-I1142 HydrophobicContact CB-CD1 4.01Å; I1085-I1142 HydrophobicContact CG1-CD1 3.73Å; I1085-I1142 HydrophobicContact CG2-CD1 3.84Å; I1085-I1142 HydrophobicContact CG2-CG1 4.42Å |
| 1086 | W | 81.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 25.9 Ų | 25.9 | 26% | 0.261 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -93.1 | -18.6 | -165.8 | -65.8 | 97.2 | 0 | 0 | 0 | 115.1 | R968 I971 I1015 R1016 L1021 L1082 T1083 P1141 | R968-W1086 HydrophobicContact CG-CH2 4.25Å; R968-W1086 HydrophobicContact CG-CZ3 4.1Å; I971-W1086 HydrophobicContact CB-CE3 4.47Å; I971-W1086 HydrophobicContact CB-CH2 4.43Å; I971-W1086 HydrophobicContact CB-CZ3 4.29Å; I971-W1086 HydrophobicContact CD1-CB 3.78Å; I971-W1086 HydrophobicContact CD1-CD2 3.86Å; I971-W1086 HydrophobicContact CD1-CE3 3.77Å; I971-W1086 HydrophobicContact CD1-CG 3.55Å; I971-W1086 HydrophobicContact CD1-CH2 3.38Å; I971-W1086 VanDerWaalsContact CD1-CH2 3.45Å; I971-W1086 HydrophobicContact CD1-CZ2 3.73Å; I971-W1086 HydrophobicContact CD1-CZ3 3.76Å; I971-W1086 VanDerWaalsContact CD1-CZ3 3.42Å; I971-W1086 HydrophobicContact CG1-CD2 3.65Å; I971-W1086 HydrophobicContact CG1-CE3 3.75Å; I971-W1086 HydrophobicContact CG1-CG 4.16Å; I971-W1086 HydrophobicContact CG1-CH2 4.05Å; I971-W1086 HydrophobicContact CG1-CZ2 4.07Å; I971-W1086 HydrophobicContact CG1-CZ3 4.23Å; I1015-W1086 HydrophobicContact CD1-CZ3 4.22Å; I1015-W1086 HydrophobicContact CG1-CZ3 4.39Å; R1016-W1086 HydrophobicContact CB-CH2 4.24Å; R1016-W1086 HydrophobicContact CB-CZ3 4.27Å; R1016-W1086 HydrophobicContact CG-CH2 3.69Å; R1016-W1086 HydrophobicContact CG-CZ3 3.83Å; L1021-W1086 HydrophobicContact CD2-CB 3.65Å; L1082-W1086 HydrophobicContact CB-CE3 4.14Å; L1082-W1086 HydrophobicContact CB-CH2 4.25Å; L1082-W1086 HydrophobicContact CB-CZ3 3.75Å; L1082-W1086 HydrophobicContact CD1-CH2 4.15Å; L1082-W1086 HydrophobicContact CD1-CZ3 4.08Å; L1082-W1086 HydrophobicContact CD2-CH2 3.55Å; L1082-W1086 HydrophobicContact CD2-CZ2 4.01Å; L1082-W1086 HydrophobicContact CD2-CZ3 3.97Å; L1082-W1086 HydrophobicContact CG-CH2 4.2Å; L1082-W1086 HydrophobicContact CG-CZ3 4.16Å; L1082-W1086 VanDerWaalsContact O-CD1 3.24Å; L1082-W1086 PolarHBondContact O-N 3.23Å; L1082-W1086 VanDerWaalsContact O-N 3.12Å; T1083-W1086 PolarHBondContact O-N 3.22Å; W1086-P1141 HydrophobicContact CD2-CB 4.25Å; W1086-P1141 HydrophobicContact CD2-CG 4.27Å; W1086-P1141 HydrophobicContact CE3-CB 3.72Å; W1086-P1141 HydrophobicContact CE3-CG 3.86Å; W1086-P1141 HydrophobicContact CH2-CB 4.4Å; W1086-P1141 HydrophobicContact CH2-CG 3.97Å; W1086-P1141 HydrophobicContact CZ2-CG 4.28Å; W1086-P1141 HydrophobicContact CZ3-CB 3.91Å; W1086-P1141 HydrophobicContact CZ3-CG 3.71Å |
| 1087 | D | 85 | Confident | 86.5 | Confident | 15.8 Ų | 15.8 | 29.8 Ų | 29.8 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | trans | -122.1 | 117.6 | 179 | -178.4 | 46.1 | 0 | 0 | 0 | 112.1 | L1021 R1025 T1083 S1089 T1090 R1091 | L1021-D1087 HydrophobicContact CD1-CB 4.45Å; L1021-D1087 HydrophobicContact CD2-CB 3.96Å; L1021-D1087 HydrophobicContact CG-CB 4.27Å; R1025-D1087 VanDerWaalsContact CD-OD2 3.3Å; R1025-D1087 WeakPolarHBondContact CD-OD2 3.38Å; R1025-D1087 IonicContact CZ-OD1 2.9Å; R1025-D1087 IonicContact NH1-OD1 3.74Å; R1025-D1087 PolarHBondContact NH1-OD1 3.18Å; R1025-D1087 IonicContact NH1-OD2 3.47Å; R1025-D1087 PolarHBondContact NH1-OD2 2.85Å; T1083-D1087 WeakPolarHBondContact O-CB 3.24Å; T1083-D1087 PolarHBondContact O-N 3.16Å; D1087-S1089 VanDerWaalsContact C-N 3.28Å; D1087-S1089 PolarHBondContact O-N 3.05Å; D1087-S1089 PolarHBondContact OD1-N 3.15Å; D1087-S1089 PolarHBondContact OD1-OG 3.15Å; D1087-S1089 WeakPolarHBondContact OD2-CB 3.42Å; D1087-T1090 HydrophobicContact CB-CG2 4.02Å; D1087-T1090 VanDerWaalsContact CB-OG1 3.27Å; D1087-T1090 WeakPolarHBondContact CB-OG1 3.38Å; D1087-T1090 PolarHBondContact O-N 3.07Å; D1087-T1090 PolarHBondContact O-OG1 3.35Å; D1087-T1090 VanDerWaalsContact OD2-CB 3.29Å; D1087-T1090 WeakPolarHBondContact OD2-CB 3.38Å; D1087-T1090 WeakPolarHBondContact OD2-CG2 3.46Å; D1087-T1090 PolarHBondContact OD2-N 3.23Å; D1087-T1090 VanDerWaalsContact OD2-N 3.1Å; D1087-T1090 PolarHBondContact OD2-OG1 3.1Å; D1087-R1091 PolarHBondContact O-N 3.14Å; D1087-R1091 VanDerWaalsContact O-N 3.13Å | ||
| 1088 | T | 84.8 | Confident | 85.8 | Confident | 56.2 Ų | 56.2 | 30.5 Ų | 30.5 | 35% | 0.345 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.6 | -35.8 | 177.3 | -54 | 0 | 0 | 0 | 0 | 111.8 | R1091 I1092 V1136 | T1088-R1091 WeakPolarHBondContact O-CB 3.25Å; T1088-R1091 PolarHBondContact O-N 3.1Å; T1088-R1091 PolarHBondContact OG1-NH2 3.16Å; T1088-R1091 VanDerWaalsContact OG1-NH2 3.09Å; T1088-I1092 HydrophobicContact CG2-CD1 4.07Å; T1088-I1092 HydrophobicContact CG2-CG1 4.47Å; T1088-I1092 VanDerWaalsContact O-CG1 3.27Å; T1088-I1092 WeakPolarHBondContact O-CG1 3.26Å; T1088-I1092 PolarHBondContact O-N 3.24Å; T1088-V1136 WeakPolarHBondContact OG1-CG2 3.32Å |
| 1089 | S | 85.3 | Confident | 85.6 | Confident | 50.8 Ų | 50.8 | 30.3 Ų | 30.3 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.6 | -44.3 | -179 | -56 | 0 | 0 | 0 | 0 | 111.6 | R1025 D1087 R1091 I1092 I1093 | R1025-S1089 PolarHBondContact NH1-OG 2.95Å; D1087-S1089 VanDerWaalsContact C-N 3.28Å; D1087-S1089 PolarHBondContact O-N 3.05Å; D1087-S1089 PolarHBondContact OD1-N 3.15Å; D1087-S1089 PolarHBondContact OD1-OG 3.15Å; D1087-S1089 WeakPolarHBondContact OD2-CB 3.42Å; S1089-R1091 VanDerWaalsContact C-N 3.32Å; S1089-R1091 PolarHBondContact O-N 3.16Å; S1089-I1092 WeakPolarHBondContact O-CB 3.43Å; S1089-I1092 PolarHBondContact O-N 3Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.34Å; S1089-I1093 PolarHBondContact O-N 3.21Å |
| 1090 | T | 87 | Confident | 85.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -44.5 | 173.4 | -45.9 | 0 | 0 | 0 | 0 | 111.6 | W1024 P1030 T1083 D1087 I1092 I1093 F1094 | W1024-T1090 HydrophobicContact CH2-CG2 4.37Å; W1024-T1090 HydrophobicContact CZ3-CG2 4.15Å; P1030-T1090 HydrophobicContact CB-CG2 4.14Å; P1030-T1090 HydrophobicContact CG-CG2 3.9Å; P1030-T1090 WeakPolarHBondContact CG-OG1 3.24Å; T1083-T1090 PolarHBondContact O-OG1 3.22Å; D1087-T1090 HydrophobicContact CB-CG2 4.02Å; D1087-T1090 VanDerWaalsContact CB-OG1 3.27Å; D1087-T1090 WeakPolarHBondContact CB-OG1 3.38Å; D1087-T1090 PolarHBondContact O-N 3.07Å; D1087-T1090 PolarHBondContact O-OG1 3.35Å; D1087-T1090 VanDerWaalsContact OD2-CB 3.29Å; D1087-T1090 WeakPolarHBondContact OD2-CB 3.38Å; D1087-T1090 WeakPolarHBondContact OD2-CG2 3.46Å; D1087-T1090 PolarHBondContact OD2-N 3.23Å; D1087-T1090 VanDerWaalsContact OD2-N 3.1Å; D1087-T1090 PolarHBondContact OD2-OG1 3.1Å; T1090-I1092 VanDerWaalsContact C-N 3.34Å; T1090-I1092 PolarHBondContact O-N 3.15Å; T1090-I1093 WeakPolarHBondContact O-CB 3.36Å; T1090-I1093 PolarHBondContact O-N 3.3Å; T1090-I1093 VanDerWaalsContact O-N 3.13Å; T1090-F1094 HydrophobicContact CG2-CD1 4.36Å; T1090-F1094 HydrophobicContact CG2-CD2 4.01Å; T1090-F1094 HydrophobicContact CG2-CE1 3.85Å; T1090-F1094 HydrophobicContact CG2-CE2 3.45Å; T1090-F1094 VanDerWaalsContact CG2-CE2 3.45Å; T1090-F1094 HydrophobicContact CG2-CG 4.43Å; T1090-F1094 HydrophobicContact CG2-CZ 3.36Å; T1090-F1094 VanDerWaalsContact O-CG 3.29Å; T1090-F1094 WeakPolarHBondContact O-CG 3.36Å; T1090-F1094 PolarHBondContact O-N 3Å |
| 1091 | R | 88.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 175.3 | -107.5 | -174 | -25.4 | -98.1 | 3.7 | 112.4 | A1084 I1085 D1087 T1088 S1089 F1094 S1095 T1131 | A1084-R1091 HydrophobicContact CB-CG 4.01Å; A1084-R1091 WeakPolarHBondContact O-CD 3.42Å; A1084-R1091 WeakPolarHBondContact O-CG 3.38Å; A1084-R1091 PolarHBondContact O-NH1 3.17Å; I1085-R1091 PolarHBondContact O-NH1 3.27Å; D1087-R1091 PolarHBondContact O-N 3.14Å; D1087-R1091 VanDerWaalsContact O-N 3.13Å; T1088-R1091 WeakPolarHBondContact O-CB 3.25Å; T1088-R1091 PolarHBondContact O-N 3.1Å; T1088-R1091 PolarHBondContact OG1-NH2 3.16Å; T1088-R1091 VanDerWaalsContact OG1-NH2 3.09Å; S1089-R1091 VanDerWaalsContact C-N 3.32Å; S1089-R1091 PolarHBondContact O-N 3.16Å; R1091-F1094 PolarHBondContact O-N 3.08Å; R1091-S1095 WeakPolarHBondContact O-CB 3.41Å; R1091-S1095 PolarHBondContact O-N 3.08Å; R1091-S1095 PolarHBondContact O-OG 3.24Å; R1091-T1131 HydrophobicContact CB-CG2 4.08Å; R1091-T1131 HydrophobicContact CG-CG2 3.9Å; R1091-T1131 WeakPolarHBondContact CG-OG1 3.15Å |
| 1092 | I | 84.7 | Confident | 85.4 | Confident | 68.2 Ų | 68.2 | 30.3 Ų | 30.3 | 35% | 0.35 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 175.7 | -67.9 | 165.4 | 0 | 0 | 0 | 109.6 | T1088 S1089 T1090 F1094 S1095 W1096 T1131 | T1088-I1092 HydrophobicContact CG2-CD1 4.07Å; T1088-I1092 HydrophobicContact CG2-CG1 4.47Å; T1088-I1092 VanDerWaalsContact O-CG1 3.27Å; T1088-I1092 WeakPolarHBondContact O-CG1 3.26Å; T1088-I1092 PolarHBondContact O-N 3.24Å; S1089-I1092 WeakPolarHBondContact O-CB 3.43Å; S1089-I1092 PolarHBondContact O-N 3Å; T1090-I1092 VanDerWaalsContact C-N 3.34Å; T1090-I1092 PolarHBondContact O-N 3.15Å; I1092-F1094 VanDerWaalsContact C-N 3.34Å; I1092-F1094 PolarHBondContact O-N 3.19Å; I1092-S1095 WeakPolarHBondContact CA-OG 3.34Å; I1092-S1095 CarbonylContact O-C 3.57Å; I1092-S1095 WeakPolarHBondContact O-CA 3.46Å; I1092-S1095 PolarHBondContact O-N 3.27Å; I1092-S1095 VanDerWaalsContact O-N 3.14Å; I1092-S1095 PolarHBondContact O-OG 3.28Å; I1092-W1096 WeakPolarHBondContact O-CB 3.45Å; I1092-W1096 PolarHBondContact O-N 3.26Å; I1092-T1131 HydrophobicContact CG1-CG2 4.25Å |
| 1093 | I | 86.3 | Confident | 85.5 | Confident | 47.4 Ų | 47.4 | 29.8 Ų | 29.8 | 24% | 0.243 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 177.6 | -65.7 | 164.6 | 0 | 0 | 0 | 110.9 | P1030 S1089 T1090 S1095 W1096 E1097 | P1030-I1093 HydrophobicContact CB-CB 4.39Å; P1030-I1093 HydrophobicContact CB-CD1 3.89Å; P1030-I1093 HydrophobicContact CB-CG2 4.13Å; P1030-I1093 HydrophobicContact CG-CD1 4.06Å; S1089-I1093 WeakPolarHBondContact O-CG1 3.34Å; S1089-I1093 PolarHBondContact O-N 3.21Å; T1090-I1093 WeakPolarHBondContact O-CB 3.36Å; T1090-I1093 PolarHBondContact O-N 3.3Å; T1090-I1093 VanDerWaalsContact O-N 3.13Å; I1093-S1095 VanDerWaalsContact C-N 3.3Å; I1093-S1095 PolarHBondContact O-N 3.12Å; I1093-W1096 PolarHBondContact O-N 2.96Å; I1093-W1096 VanDerWaalsContact O-N 3.11Å; I1093-E1097 HydrophobicContact CG2-CG 4.34Å; I1093-E1097 WeakPolarHBondContact O-CG 3.45Å; I1093-E1097 PolarHBondContact O-N 3.18Å |
| 1094 | F | 89.5 | Confident | 85.6 | Confident | 0.4 Ų | 0.4 | 29.8 Ų | 29.8 | 0% | 0.002 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -35.4 | 177.9 | -67 | -12.2 | 0 | 0 | 0 | 113.4 | P1030 L1033 V1034 A1080 A1084 T1090 R1091 I1092 W1096 F1100 L1124 I1128 | P1030-F1094 HydrophobicContact CB-CE1 4.11Å; L1033-F1094 HydrophobicContact CB-CE1 4.4Å; L1033-F1094 HydrophobicContact CB-CZ 4.4Å; L1033-F1094 HydrophobicContact CD1-CZ 3.93Å; V1034-F1094 HydrophobicContact CG2-CD1 3.82Å; V1034-F1094 HydrophobicContact CG2-CE1 4.02Å; A1080-F1094 HydrophobicContact CB-CE2 4.25Å; A1080-F1094 HydrophobicContact CB-CZ 4.35Å; A1084-F1094 HydrophobicContact CB-CD2 4.12Å; A1084-F1094 HydrophobicContact CB-CE2 4.14Å; T1090-F1094 HydrophobicContact CG2-CD1 4.36Å; T1090-F1094 HydrophobicContact CG2-CD2 4.01Å; T1090-F1094 HydrophobicContact CG2-CE1 3.85Å; T1090-F1094 HydrophobicContact CG2-CE2 3.45Å; T1090-F1094 VanDerWaalsContact CG2-CE2 3.45Å; T1090-F1094 HydrophobicContact CG2-CG 4.43Å; T1090-F1094 HydrophobicContact CG2-CZ 3.36Å; T1090-F1094 VanDerWaalsContact O-CG 3.29Å; T1090-F1094 WeakPolarHBondContact O-CG 3.36Å; T1090-F1094 PolarHBondContact O-N 3Å; R1091-F1094 PolarHBondContact O-N 3.08Å; I1092-F1094 VanDerWaalsContact C-N 3.34Å; I1092-F1094 PolarHBondContact O-N 3.19Å; F1094-W1096 VanDerWaalsContact C-N 3.33Å; F1094-F1100 HydrophobicContact CB-CD1 3.82Å; F1094-F1100 HydrophobicContact CB-CE1 3.64Å; F1094-F1100 HydrophobicContact CD1-CD1 4.05Å; F1094-F1100 AromaticContact CD1-CE1 3.55Å; F1094-F1100 HydrophobicContact CD1-CE1 3.55Å; F1094-F1100 VanDerWaalsContact CD1-CE1 3.49Å; F1094-F1100 AromaticContact CD1-CZ 3.92Å; F1094-F1100 HydrophobicContact CD1-CZ 3.94Å; F1094-F1100 AromaticContact CD2-CE1 3.77Å; F1094-F1100 HydrophobicContact CD2-CE1 3.77Å; F1094-F1100 HydrophobicContact CD2-CZ 4.28Å; F1094-F1100 HydrophobicContact CE1-CE1 4.09Å; F1094-F1100 AromaticContact CE1-CZ 3.92Å; F1094-F1100 HydrophobicContact CE1-CZ 4Å; F1094-F1100 HydrophobicContact CE2-CE1 4.27Å; F1094-F1100 HydrophobicContact CE2-CZ 4.33Å; F1094-F1100 AromaticContact CG-CD1 3.97Å; F1094-F1100 HydrophobicContact CG-CD1 3.98Å; F1094-F1100 AromaticContact CG-CE1 3.38Å; F1094-F1100 HydrophobicContact CG-CE1 3.38Å; F1094-F1100 VanDerWaalsContact CG-CE1 3.42Å; F1094-F1100 HydrophobicContact CG-CZ 4.09Å; F1094-F1100 HydrophobicContact CZ-CE1 4.37Å; F1094-F1100 HydrophobicContact CZ-CZ 4.2Å; F1094-L1124 HydrophobicContact CD2-CD1 4.15Å; F1094-L1124 HydrophobicContact CE2-CD1 4.25Å; F1094-I1128 HydrophobicContact CB-CD1 4.13Å; F1094-I1128 HydrophobicContact CB-CG1 4Å |
| 1095 | S | 83.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 29.9 Ų | 29.9 | 19% | 0.189 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.7 | -22.9 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | M851 R1091 I1092 I1093 | M851-S1095 VanDerWaalsContact CE-O 3.29Å; M851-S1095 WeakPolarHBondContact CE-O 3.47Å; R1091-S1095 WeakPolarHBondContact O-CB 3.41Å; R1091-S1095 PolarHBondContact O-N 3.08Å; R1091-S1095 PolarHBondContact O-OG 3.24Å; I1092-S1095 WeakPolarHBondContact CA-OG 3.34Å; I1092-S1095 CarbonylContact O-C 3.57Å; I1092-S1095 WeakPolarHBondContact O-CA 3.46Å; I1092-S1095 PolarHBondContact O-N 3.27Å; I1092-S1095 VanDerWaalsContact O-N 3.14Å; I1092-S1095 PolarHBondContact O-OG 3.28Å; I1093-S1095 VanDerWaalsContact C-N 3.3Å; I1093-S1095 PolarHBondContact O-N 3.12Å |
| 1096 | W | 80.1 | Confident | 85.5 | Confident | 137.8 Ų | 137.8 | 29.7 Ų | 29.7 | 52% | 0.522 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -88.5 | -28.6 | 179.5 | -91.9 | 67 | 0 | 0 | 0 | 112.8 | P788 I1092 I1093 F1094 S1098 | P788-W1096 HydrophobicContact CB-CZ2 4.4Å; P788-W1096 VanDerWaalsContact CD-CH2 3.46Å; P788-W1096 HydrophobicContact CG-CD2 4.46Å; P788-W1096 HydrophobicContact CG-CH2 4.04Å; P788-W1096 HydrophobicContact CG-CZ2 3.75Å; P788-W1096 VanDerWaalsContact CG-CZ2 3.45Å; I1092-W1096 WeakPolarHBondContact O-CB 3.45Å; I1092-W1096 PolarHBondContact O-N 3.26Å; I1093-W1096 PolarHBondContact O-N 2.96Å; I1093-W1096 VanDerWaalsContact O-N 3.11Å; F1094-W1096 VanDerWaalsContact C-N 3.33Å; W1096-S1098 PolarHBondContact O-N 3.02Å; W1096-S1098 VanDerWaalsContact O-N 3.15Å |
| 1097 | E | 83.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 26.4 Ų | 26.4 | 38% | 0.383 | 14% | 0.136 | S | C | . | . | trans | -81 | 94 | -178.1 | -82.4 | -55 | 175.9 | 0 | 0 | 112 | V1034 I1093 D1099 F1100 L1101 | V1034-E1097 HydrophobicContact CB-CG 4.5Å; V1034-E1097 HydrophobicContact CG1-CB 3.94Å; V1034-E1097 HydrophobicContact CG1-CG 3.85Å; V1034-E1097 HydrophobicContact CG2-CB 4.16Å; V1034-E1097 HydrophobicContact CG2-CG 4.09Å; I1093-E1097 HydrophobicContact CG2-CG 4.34Å; I1093-E1097 WeakPolarHBondContact O-CG 3.45Å; I1093-E1097 PolarHBondContact O-N 3.18Å; E1097-D1099 VanDerWaalsContact C-N 3.29Å; E1097-D1099 PolarHBondContact O-N 3.11Å; E1097-D1099 VanDerWaalsContact O-N 3.14Å; E1097-F1100 HydrophobicContact CB-CB 3.97Å; E1097-F1100 WeakPolarHBondContact O-CB 3.38Å; E1097-F1100 PolarHBondContact O-N 3.28Å; E1097-F1100 VanDerWaalsContact O-N 3.1Å; E1097-L1101 PolarHBondContact O-N 3.12Å | ||
| 1098 | S | 73.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 25.7 Ų | 25.7 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -53.9 | -41.4 | -176.2 | 51.6 | 0 | 0 | 0 | 0 | 115.1 | K847 M851 W1096 F1100 L1101 C1102 | K847-S1098 WeakPolarHBondContact CD-OG 3.17Å; K847-S1098 WeakPolarHBondContact CE-OG 3.33Å; K847-S1098 PolarHBondContact NZ-OG 3.12Å; K847-S1098 VanDerWaalsContact NZ-OG 3.08Å; M851-S1098 VanDerWaalsContact CE-CA 3.48Å; M851-S1098 WeakPolarHBondContact CE-O 3.36Å; W1096-S1098 PolarHBondContact O-N 3.02Å; W1096-S1098 VanDerWaalsContact O-N 3.15Å; S1098-F1100 PolarHBondContact O-N 3.19Å; S1098-L1101 PolarHBondContact O-N 3.47Å; S1098-C1102 PolarHBondContact O-N 3.03Å; S1098-C1102 VanDerWaalsContact O-N 3.12Å; S1098-C1102 PolarHBondContact O-SG 3.01Å |
| 1099 | D | 83.5 | Confident | 85.5 | Confident | 44.2 Ų | 44.2 | 23.1 Ų | 23.1 | 24% | 0.236 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69 | -27.2 | -176.6 | -57.7 | -20.8 | 0 | 0 | 0 | 110.4 | K847 H883 N1038 E1097 S1103 | K847-D1099 WeakPolarHBondContact CE-OD1 3.28Å; K847-D1099 VanDerWaalsContact NZ-CG 3.25Å; K847-D1099 IonicContact NZ-OD1 3.1Å; K847-D1099 PolarHBondContact NZ-OD1 3.4Å; K847-D1099 IonicContact NZ-OD2 2.94Å; K847-D1099 PolarHBondContact NZ-OD2 3.15Å; H883-D1099 IonicContact CE1-OD1 3.19Å; H883-D1099 PolarHBondContact CE1-OD1 3.39Å; H883-D1099 VanDerWaalsContact CE1-OD1 3.29Å; H883-D1099 IonicContact ND1-OD1 2.86Å; H883-D1099 IonicContact NE2-OD1 3.01Å; H883-D1099 PolarHBondContact NE2-OD1 3.04Å; N1038-D1099 WeakPolarHBondContact ND2-CB 3.32Å; N1038-D1099 WeakPolarHBondContact OD1-CB 3.38Å; N1038-D1099 PolarHBondContact OD1-O 3.22Å; N1038-D1099 VanDerWaalsContact OD1-O 3.06Å; E1097-D1099 VanDerWaalsContact C-N 3.29Å; E1097-D1099 PolarHBondContact O-N 3.11Å; E1097-D1099 VanDerWaalsContact O-N 3.14Å; D1099-S1103 VanDerWaalsContact O-CB 3.27Å; D1099-S1103 WeakPolarHBondContact O-CB 3.39Å; D1099-S1103 PolarHBondContact O-N 3.02Å; D1099-S1103 PolarHBondContact O-OG 3.01Å |
| 1100 | F | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.5 | -49.9 | -178 | -173.4 | -120.6 | 0 | 0 | 0 | 112.3 | V1034 F1037 N1038 F1094 E1097 S1098 C1102 S1103 I1104 L1124 I1128 | V1034-F1100 HydrophobicContact CB-CD2 4.19Å; V1034-F1100 HydrophobicContact CB-CG 4.5Å; V1034-F1100 HydrophobicContact CG1-CB 4.21Å; V1034-F1100 HydrophobicContact CG1-CD2 4.42Å; V1034-F1100 HydrophobicContact CG1-CG 4.44Å; V1034-F1100 HydrophobicContact CG2-CB 4.29Å; V1034-F1100 HydrophobicContact CG2-CD1 4.37Å; V1034-F1100 HydrophobicContact CG2-CD2 3.86Å; V1034-F1100 HydrophobicContact CG2-CE2 4.2Å; V1034-F1100 HydrophobicContact CG2-CG 3.95Å; F1037-F1100 HydrophobicContact CB-CD2 3.93Å; F1037-F1100 HydrophobicContact CB-CE2 3.8Å; F1037-F1100 HydrophobicContact CD2-CD2 4.46Å; F1037-F1100 AromaticContact CD2-CE2 3.52Å; F1037-F1100 HydrophobicContact CD2-CE2 3.52Å; F1037-F1100 HydrophobicContact CD2-CZ 4.25Å; F1037-F1100 HydrophobicContact CE2-CE2 4.31Å; F1037-F1100 HydrophobicContact CG-CD2 4.42Å; F1037-F1100 AromaticContact CG-CE2 3.81Å; F1037-F1100 HydrophobicContact CG-CE2 3.81Å; N1038-F1100 WeakPolarHBondContact OD1-CA 3.35Å; N1038-F1100 PolarHBondContact OD1-N 3.37Å; F1094-F1100 HydrophobicContact CB-CD1 3.82Å; F1094-F1100 HydrophobicContact CB-CE1 3.64Å; F1094-F1100 HydrophobicContact CD1-CD1 4.05Å; F1094-F1100 AromaticContact CD1-CE1 3.55Å; F1094-F1100 HydrophobicContact CD1-CE1 3.55Å; F1094-F1100 VanDerWaalsContact CD1-CE1 3.49Å; F1094-F1100 AromaticContact CD1-CZ 3.92Å; F1094-F1100 HydrophobicContact CD1-CZ 3.94Å; F1094-F1100 AromaticContact CD2-CE1 3.77Å; F1094-F1100 HydrophobicContact CD2-CE1 3.77Å; F1094-F1100 HydrophobicContact CD2-CZ 4.28Å; F1094-F1100 HydrophobicContact CE1-CE1 4.09Å; F1094-F1100 AromaticContact CE1-CZ 3.92Å; F1094-F1100 HydrophobicContact CE1-CZ 4Å; F1094-F1100 HydrophobicContact CE2-CE1 4.27Å; F1094-F1100 HydrophobicContact CE2-CZ 4.33Å; F1094-F1100 AromaticContact CG-CD1 3.97Å; F1094-F1100 HydrophobicContact CG-CD1 3.98Å; F1094-F1100 AromaticContact CG-CE1 3.38Å; F1094-F1100 HydrophobicContact CG-CE1 3.38Å; F1094-F1100 VanDerWaalsContact CG-CE1 3.42Å; F1094-F1100 HydrophobicContact CG-CZ 4.09Å; F1094-F1100 HydrophobicContact CZ-CE1 4.37Å; F1094-F1100 HydrophobicContact CZ-CZ 4.2Å; E1097-F1100 HydrophobicContact CB-CB 3.97Å; E1097-F1100 WeakPolarHBondContact O-CB 3.38Å; E1097-F1100 PolarHBondContact O-N 3.28Å; E1097-F1100 VanDerWaalsContact O-N 3.1Å; S1098-F1100 PolarHBondContact O-N 3.19Å; F1100-C1102 VanDerWaalsContact C-N 3.33Å; F1100-C1102 PolarHBondContact O-N 3.2Å; F1100-S1103 WeakPolarHBondContact O-CB 3.25Å; F1100-S1103 PolarHBondContact O-N 3.04Å; F1100-S1103 VanDerWaalsContact O-N 3.16Å; F1100-I1104 HydrophobicContact CD1-CD1 3.63Å; F1100-I1104 HydrophobicContact CD1-CG1 4.43Å; F1100-I1104 HydrophobicContact CD2-CD1 4.18Å; F1100-I1104 HydrophobicContact CD2-CG1 4.44Å; F1100-I1104 HydrophobicContact CE1-CD1 3.32Å; F1100-I1104 HydrophobicContact CE1-CG1 4.39Å; F1100-I1104 HydrophobicContact CE2-CD1 3.97Å; F1100-I1104 HydrophobicContact CE2-CG1 4.31Å; F1100-I1104 HydrophobicContact CG-CD1 4.06Å; F1100-I1104 HydrophobicContact CZ-CD1 3.62Å; F1100-I1104 VanDerWaalsContact CZ-CD1 3.48Å; F1100-I1104 HydrophobicContact CZ-CG1 4.3Å; F1100-I1104 VanDerWaalsContact O-CG1 3.3Å; F1100-I1104 WeakPolarHBondContact O-CG1 3.41Å; F1100-I1104 PolarHBondContact O-N 3.13Å; F1100-L1124 HydrophobicContact CE1-CD2 4.43Å; F1100-L1124 HydrophobicContact CZ-CD2 4.36Å; F1100-I1128 HydrophobicContact CD1-CD1 4.03Å; F1100-I1128 HydrophobicContact CE1-CD1 3.83Å |
| 1101 | L | 89 | Confident | 84.9 | Confident | 0.8 Ų | 0.8 | 22.9 Ų | 22.9 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 179.2 | -177.3 | 60.7 | 0 | 0 | 0 | 111.1 | M851 L854 T855 E1097 S1098 S1103 I1104 I1105 I1125 I1128 | M851-L1101 HydrophobicContact CE-CB 4.02Å; M851-L1101 HydrophobicContact CE-CD2 3.63Å; M851-L1101 HydrophobicContact CE-CG 4.32Å; M851-L1101 HydrophobicContact SD-CB 4.05Å; M851-L1101 HydrophobicContact SD-CD2 3.88Å; M851-L1101 HydrophobicContact SD-CG 4.43Å; L854-L1101 HydrophobicContact CD2-CB 4.38Å; L854-L1101 HydrophobicContact CD2-CD2 3.86Å; L854-L1101 HydrophobicContact CD2-CG 3.97Å; L854-L1101 HydrophobicContact CG-CD2 3.95Å; L854-L1101 HydrophobicContact CG-CG 4.43Å; T855-L1101 HydrophobicContact CG2-CD2 3.6Å; E1097-L1101 PolarHBondContact O-N 3.12Å; S1098-L1101 PolarHBondContact O-N 3.47Å; L1101-S1103 VanDerWaalsContact C-N 3.34Å; L1101-S1103 PolarHBondContact O-N 3.25Å; L1101-I1104 PolarHBondContact O-N 3.02Å; L1101-I1105 HydrophobicContact CD1-CD1 4.2Å; L1101-I1105 HydrophobicContact CD1-CG1 4.44Å; L1101-I1105 HydrophobicContact CG-CD1 4.03Å; L1101-I1105 WeakPolarHBondContact O-CD1 3.27Å; L1101-I1105 VanDerWaalsContact O-CG1 3.26Å; L1101-I1105 WeakPolarHBondContact O-CG1 3.38Å; L1101-I1105 PolarHBondContact O-N 3.23Å; L1101-I1105 VanDerWaalsContact O-N 3.12Å; L1101-I1125 HydrophobicContact CD1-CG1 4.43Å; L1101-I1125 HydrophobicContact CD1-CG2 4.42Å; L1101-I1128 HydrophobicContact CD1-CD1 4.46Å; L1101-I1128 HydrophobicContact CD1-CG2 4.18Å; L1101-I1128 HydrophobicContact CD2-CG2 4.39Å |
| 1102 | C | 87.5 | Confident | 83.8 | Confident | 1.4 Ų | 1.4 | 26.4 Ų | 26.4 | 1% | 0.009 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 173.9 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | L854 L880 H883 W884 S1098 F1100 I1104 I1105 Y1106 | L854-C1102 VanDerWaalsContact CD2-SG 3.56Å; L854-C1102 WeakPolarHBondContact CD2-SG 3.42Å; L880-C1102 HydrophobicContact CD2-CB 3.81Å; H883-C1102 PolarHBondContact CD2-SG 2.93Å; W884-C1102 HydrophobicContact CZ2-CB 4.27Å; S1098-C1102 PolarHBondContact O-N 3.03Å; S1098-C1102 VanDerWaalsContact O-N 3.12Å; S1098-C1102 PolarHBondContact O-SG 3.01Å; F1100-C1102 VanDerWaalsContact C-N 3.33Å; F1100-C1102 PolarHBondContact O-N 3.2Å; C1102-I1104 PolarHBondContact O-N 2.89Å; C1102-I1105 PolarHBondContact O-N 3.01Å; C1102-Y1106 WeakPolarHBondContact O-CB 3.34Å; C1102-Y1106 PolarHBondContact O-N 3.26Å |
| 1103 | S | 89.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 112 | N1038 A1041 D1099 F1100 L1101 Y1106 L1107 | N1038-S1103 PolarHBondContact OD1-OG 3.24Å; A1041-S1103 WeakPolarHBondContact CB-OG 3.32Å; D1099-S1103 VanDerWaalsContact O-CB 3.27Å; D1099-S1103 WeakPolarHBondContact O-CB 3.39Å; D1099-S1103 PolarHBondContact O-N 3.02Å; D1099-S1103 PolarHBondContact O-OG 3.01Å; F1100-S1103 WeakPolarHBondContact O-CB 3.25Å; F1100-S1103 PolarHBondContact O-N 3.04Å; F1100-S1103 VanDerWaalsContact O-N 3.16Å; L1101-S1103 VanDerWaalsContact C-N 3.34Å; L1101-S1103 PolarHBondContact O-N 3.25Å; S1103-Y1106 WeakPolarHBondContact O-CB 3.4Å; S1103-Y1106 PolarHBondContact O-N 3.05Å; S1103-L1107 WeakPolarHBondContact O-CB 3.31Å; S1103-L1107 WeakPolarHBondContact O-CD1 3.39Å; S1103-L1107 WeakPolarHBondContact O-CG 3.27Å; S1103-L1107 PolarHBondContact O-N 3.16Å |
| 1104 | I | 89.9 | Confident | 82.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.5 | -72 | 178.2 | 0 | 0 | 0 | 111.2 | F1037 F1100 L1101 C1102 Y1106 L1107 M1108 F1121 L1124 I1125 I1128 | F1037-I1104 HydrophobicContact CD1-CD1 3.52Å; F1037-I1104 HydrophobicContact CD2-CD1 4.34Å; F1037-I1104 HydrophobicContact CE1-CD1 3.56Å; F1037-I1104 HydrophobicContact CE2-CD1 4.37Å; F1037-I1104 HydrophobicContact CG-CD1 3.92Å; F1037-I1104 HydrophobicContact CZ-CD1 4Å; F1100-I1104 HydrophobicContact CD1-CD1 3.63Å; F1100-I1104 HydrophobicContact CD1-CG1 4.43Å; F1100-I1104 HydrophobicContact CD2-CD1 4.18Å; F1100-I1104 HydrophobicContact CD2-CG1 4.44Å; F1100-I1104 HydrophobicContact CE1-CD1 3.32Å; F1100-I1104 HydrophobicContact CE1-CG1 4.39Å; F1100-I1104 HydrophobicContact CE2-CD1 3.97Å; F1100-I1104 HydrophobicContact CE2-CG1 4.31Å; F1100-I1104 HydrophobicContact CG-CD1 4.06Å; F1100-I1104 HydrophobicContact CZ-CD1 3.62Å; F1100-I1104 VanDerWaalsContact CZ-CD1 3.48Å; F1100-I1104 HydrophobicContact CZ-CG1 4.3Å; F1100-I1104 VanDerWaalsContact O-CG1 3.3Å; F1100-I1104 WeakPolarHBondContact O-CG1 3.41Å; F1100-I1104 PolarHBondContact O-N 3.13Å; L1101-I1104 PolarHBondContact O-N 3.02Å; C1102-I1104 PolarHBondContact O-N 2.89Å; I1104-Y1106 VanDerWaalsContact C-N 3.29Å; I1104-Y1106 PolarHBondContact O-N 3.24Å; I1104-L1107 PolarHBondContact O-N 3.16Å; I1104-M1108 WeakPolarHBondContact O-CB 3.41Å; I1104-M1108 PolarHBondContact O-N 3.21Å; I1104-F1121 HydrophobicContact CD1-CD1 4.36Å; I1104-F1121 HydrophobicContact CD1-CE1 4.02Å; I1104-F1121 HydrophobicContact CG2-CD1 3.76Å; I1104-F1121 HydrophobicContact CG2-CE1 4.25Å; I1104-L1124 HydrophobicContact CD1-CD2 3.57Å; I1104-L1124 HydrophobicContact CD1-CG 4.01Å; I1104-L1124 HydrophobicContact CG1-CD2 4.22Å; I1104-L1124 HydrophobicContact CG2-CD2 4.47Å; I1104-I1125 HydrophobicContact CG2-CD1 3.92Å; I1104-I1125 HydrophobicContact CG2-CG1 3.55Å; I1104-I1128 HydrophobicContact CD1-CD1 3.85Å |
| 1105 | I | 87.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 179 | -64.6 | 165.2 | 0 | 0 | 0 | 110.5 | L854 I876 L880 L949 L953 L1101 C1102 M1108 N1109 I1125 | L854-I1105 HydrophobicContact CD1-CD1 3.97Å; L854-I1105 HydrophobicContact CD2-CD1 4.23Å; L854-I1105 HydrophobicContact CG-CD1 4.24Å; I876-I1105 HydrophobicContact CG2-CD1 4.4Å; I876-I1105 HydrophobicContact CG2-CG2 4.08Å; L880-I1105 HydrophobicContact CD1-CG2 3.9Å; L949-I1105 HydrophobicContact CD2-CG2 3.97Å; L953-I1105 HydrophobicContact CD2-CG2 4.2Å; L1101-I1105 HydrophobicContact CD1-CD1 4.2Å; L1101-I1105 HydrophobicContact CD1-CG1 4.44Å; L1101-I1105 HydrophobicContact CG-CD1 4.03Å; L1101-I1105 WeakPolarHBondContact O-CD1 3.27Å; L1101-I1105 VanDerWaalsContact O-CG1 3.26Å; L1101-I1105 WeakPolarHBondContact O-CG1 3.38Å; L1101-I1105 PolarHBondContact O-N 3.23Å; L1101-I1105 VanDerWaalsContact O-N 3.12Å; C1102-I1105 PolarHBondContact O-N 3.01Å; I1105-M1108 WeakPolarHBondContact O-CA 3.44Å; I1105-M1108 PolarHBondContact O-N 3.47Å; I1105-N1109 PolarHBondContact O-N 3.22Å; I1105-N1109 PolarHBondContact O-ND2 3.17Å; I1105-N1109 VanDerWaalsContact O-ND2 3.08Å; I1105-I1125 HydrophobicContact CG1-CD1 4.14Å; I1105-I1125 HydrophobicContact CG1-CG1 4.47Å |
| 1106 | Y | 85.5 | Confident | 81 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 175.3 | 178.5 | -112.2 | 0 | 0 | 0 | 112.2 | W884 A1041 L1044 L1045 I1058 F1059 C1102 S1103 I1104 M1108 N1109 V1110 | W884-Y1106 AromaticContact CH2-CD2 3.8Å; W884-Y1106 HydrophobicContact CH2-CD2 3.8Å; W884-Y1106 HydrophobicContact CH2-CE2 4.47Å; W884-Y1106 AromaticContact CH2-CG 3.82Å; W884-Y1106 HydrophobicContact CH2-CG 3.93Å; W884-Y1106 HydrophobicContact CZ2-CD2 4.23Å; W884-Y1106 HydrophobicContact CZ2-CG 4.2Å; W884-Y1106 HydrophobicContact CZ3-CD2 4.3Å; A1041-Y1106 HydrophobicContact CB-CD1 3.94Å; A1041-Y1106 HydrophobicContact CB-CE1 4.45Å; A1041-Y1106 WeakPolarHBondContact O-CE1 3.15Å; L1044-Y1106 HydrophobicContact CB-CE1 3.92Å; L1045-Y1106 HydrophobicContact CB-CE1 4.43Å; L1045-Y1106 HydrophobicContact CD1-CE2 4.37Å; L1045-Y1106 PolarHBondContact N-OH 3.24Å; I1058-Y1106 HydrophobicContact CB-CE2 4.47Å; I1058-Y1106 HydrophobicContact CG2-CE2 3.7Å; I1058-Y1106 WeakPolarHBondContact O-CE2 3.45Å; I1058-Y1106 PolarHBondContact O-OH 3.3Å; I1058-Y1106 VanDerWaalsContact O-OH 3.08Å; F1059-Y1106 AromaticContact CD1-CD2 3.8Å; F1059-Y1106 HydrophobicContact CD1-CD2 3.8Å; F1059-Y1106 AromaticContact CD1-CE2 3.91Å; F1059-Y1106 HydrophobicContact CD1-CE2 3.91Å; F1059-Y1106 AromaticContact CE1-CD2 3.61Å; F1059-Y1106 HydrophobicContact CE1-CD2 3.61Å; F1059-Y1106 VanDerWaalsContact CE1-CD2 3.47Å; F1059-Y1106 AromaticContact CE1-CE2 3.99Å; F1059-Y1106 HydrophobicContact CE1-CE2 4.06Å; F1059-Y1106 HydrophobicContact CG-CE2 4.48Å; F1059-Y1106 HydrophobicContact CZ-CD2 4.37Å; C1102-Y1106 WeakPolarHBondContact O-CB 3.34Å; C1102-Y1106 PolarHBondContact O-N 3.26Å; S1103-Y1106 WeakPolarHBondContact O-CB 3.4Å; S1103-Y1106 PolarHBondContact O-N 3.05Å; I1104-Y1106 VanDerWaalsContact C-N 3.29Å; I1104-Y1106 PolarHBondContact O-N 3.24Å; Y1106-M1108 VanDerWaalsContact C-N 3.32Å; Y1106-M1108 PolarHBondContact O-N 3.33Å; Y1106-N1109 WeakPolarHBondContact O-CB 3.43Å; Y1106-N1109 PolarHBondContact O-N 3.21Å; Y1106-N1109 VanDerWaalsContact O-N 3.11Å; Y1106-V1110 HydrophobicContact CD1-CG2 4.31Å; Y1106-V1110 HydrophobicContact CD2-CG2 4.31Å; Y1106-V1110 HydrophobicContact CE1-CG2 3.9Å; Y1106-V1110 HydrophobicContact CE2-CG2 3.86Å; Y1106-V1110 HydrophobicContact CG-CG2 4.48Å; Y1106-V1110 WeakPolarHBondContact O-CG2 3.31Å; Y1106-V1110 PolarHBondContact O-N 3.18Å; Y1106-V1110 VanDerWaalsContact O-N 3.08Å |
| 1107 | L | 87.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | -177.7 | -67.1 | 167.9 | 0 | 0 | 0 | 112.2 | F1037 V1040 A1041 L1044 L1073 S1103 I1104 N1109 V1110 F1111 F1121 | F1037-L1107 HydrophobicContact CD1-CD1 3.54Å; F1037-L1107 HydrophobicContact CE1-CD1 4.11Å; V1040-L1107 HydrophobicContact CG1-CD1 4.43Å; V1040-L1107 HydrophobicContact CG1-CD2 3.85Å; A1041-L1107 HydrophobicContact CB-CG 4.48Å; L1044-L1107 HydrophobicContact CD1-CD2 3.52Å; L1044-L1107 VanDerWaalsContact CD1-CD2 3.49Å; L1073-L1107 HydrophobicContact CD1-CD1 4.29Å; S1103-L1107 WeakPolarHBondContact O-CB 3.31Å; S1103-L1107 WeakPolarHBondContact O-CD1 3.39Å; S1103-L1107 WeakPolarHBondContact O-CG 3.27Å; S1103-L1107 PolarHBondContact O-N 3.16Å; I1104-L1107 PolarHBondContact O-N 3.16Å; L1107-N1109 VanDerWaalsContact C-N 3.28Å; L1107-N1109 PolarHBondContact O-N 3.08Å; L1107-V1110 PolarHBondContact O-N 3.16Å; L1107-F1111 HydrophobicContact CD2-CD2 4.49Å; L1107-F1111 HydrophobicContact CD2-CE2 4.16Å; L1107-F1111 VanDerWaalsContact O-CD2 3.31Å; L1107-F1111 WeakPolarHBondContact O-CD2 3.39Å; L1107-F1111 PolarHBondContact O-N 3.1Å; L1107-F1111 VanDerWaalsContact O-N 3.12Å; L1107-F1121 HydrophobicContact CB-CE1 4.17Å; L1107-F1121 HydrophobicContact CB-CE2 4.47Å; L1107-F1121 HydrophobicContact CB-CZ 3.77Å |
| 1108 | M | 85.2 | Confident | 81 | Confident | 1.4 Ų | 1.4 | 28.2 Ų | 28.2 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.8 | -44.4 | 169.9 | -177.9 | -158.2 | 68.9 | 0 | 0 | 112 | L949 Q952 L953 Q956 F957 I1104 I1105 Y1106 F1121 V1122 I1125 | L949-M1108 HydrophobicContact CD2-CE 4.25Å; Q952-M1108 VanDerWaalsContact OE1-CE 3.29Å; L953-M1108 HydrophobicContact CD2-CE 3.38Å; L953-M1108 VanDerWaalsContact CD2-CE 3.43Å; L953-M1108 HydrophobicContact CD2-SD 4.31Å; Q956-M1108 PolarHBondContact NE2-O 2.94Å; F957-M1108 HydrophobicContact CE2-CE 3.89Å; F957-M1108 HydrophobicContact CE2-SD 4.17Å; I1104-M1108 WeakPolarHBondContact O-CB 3.41Å; I1104-M1108 PolarHBondContact O-N 3.21Å; I1105-M1108 WeakPolarHBondContact O-CA 3.44Å; I1105-M1108 PolarHBondContact O-N 3.47Å; Y1106-M1108 VanDerWaalsContact C-N 3.32Å; Y1106-M1108 PolarHBondContact O-N 3.33Å; M1108-F1121 HydrophobicContact CB-CB 4.05Å; M1108-F1121 HydrophobicContact CB-CD1 4.36Å; M1108-F1121 HydrophobicContact CB-CD2 3.89Å; M1108-F1121 HydrophobicContact CB-CE2 4.25Å; M1108-F1121 HydrophobicContact CB-CG 3.9Å; M1108-F1121 HydrophobicContact CB-CZ 4.48Å; M1108-F1121 HydrophobicContact CG-CB 3.9Å; M1108-F1121 HydrophobicContact CG-CD2 4.12Å; M1108-F1121 HydrophobicContact CG-CG 4.23Å; M1108-F1121 HydrophobicContact SD-CB 4.14Å; M1108-V1122 HydrophobicContact SD-CG2 4.16Å; M1108-I1125 HydrophobicContact CE-CD1 4.1Å; M1108-I1125 HydrophobicContact SD-CD1 3.72Å |
| 1109 | N | 79.4 | Confident | 81.3 | Confident | 2.6 Ų | 2.6 | 30.5 Ų | 30.5 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -75.6 | -32.6 | 179.4 | -72.6 | -49.9 | 0 | 0 | 0 | 113.3 | H948 L949 Q952 Q956 F1059 I1105 Y1106 L1107 F1111 | H948-N1109 PolarHBondContact CD2-OD1 3.43Å; L949-N1109 WeakPolarHBondContact CD2-ND2 3.43Å; Q952-N1109 PolarHBondContact NE2-OD1 2.82Å; Q952-N1109 PolarHBondContact OE1-OD1 2.95Å; Q952-N1109 VanDerWaalsContact OE1-OD1 3.07Å; Q956-N1109 PolarHBondContact OE1-OD1 3.26Å; F1059-N1109 HydrophobicContact CB-CB 4.47Å; F1059-N1109 HydrophobicContact CD1-CB 3.75Å; F1059-N1109 HydrophobicContact CE1-CB 4.34Å; F1059-N1109 HydrophobicContact CG-CB 4.38Å; I1105-N1109 PolarHBondContact O-N 3.22Å; I1105-N1109 PolarHBondContact O-ND2 3.17Å; I1105-N1109 VanDerWaalsContact O-ND2 3.08Å; Y1106-N1109 WeakPolarHBondContact O-CB 3.43Å; Y1106-N1109 PolarHBondContact O-N 3.21Å; Y1106-N1109 VanDerWaalsContact O-N 3.11Å; L1107-N1109 VanDerWaalsContact C-N 3.28Å; L1107-N1109 PolarHBondContact O-N 3.08Å; N1109-F1111 VanDerWaalsContact C-N 3.33Å; N1109-F1111 PolarHBondContact O-N 3.12Å |
| 1110 | V | 79.9 | Confident | 81.4 | Confident | 14.8 Ų | 14.8 | 29.1 Ų | 29.1 | 9% | 0.09 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.5 | -29.7 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 112.4 | L1044 P1061 I1063 Y1106 L1107 P1112 | L1044-V1110 HydrophobicContact CD1-CG1 4.38Å; P1061-V1110 HydrophobicContact CG-CG1 3.61Å; P1061-V1110 HydrophobicContact CG-CG2 4.37Å; I1063-V1110 HydrophobicContact CD1-CG1 3.9Å; Y1106-V1110 HydrophobicContact CD1-CG2 4.31Å; Y1106-V1110 HydrophobicContact CD2-CG2 4.31Å; Y1106-V1110 HydrophobicContact CE1-CG2 3.9Å; Y1106-V1110 HydrophobicContact CE2-CG2 3.86Å; Y1106-V1110 HydrophobicContact CG-CG2 4.48Å; Y1106-V1110 WeakPolarHBondContact O-CG2 3.31Å; Y1106-V1110 PolarHBondContact O-N 3.18Å; Y1106-V1110 VanDerWaalsContact O-N 3.08Å; L1107-V1110 PolarHBondContact O-N 3.16Å; V1110-P1112 VanDerWaalsContact C-CD 3.4Å; V1110-P1112 VanDerWaalsContact O-CD 3.25Å; V1110-P1112 WeakPolarHBondContact O-CD 3.38Å |
| 1111 | F | 78.8 | Confident | 81.4 | Confident | 31.4 Ų | 31.4 | 29.1 Ų | 29.1 | 14% | 0.138 | 17% | 0.174 | C | C | . | . | trans | -119.1 | 65.9 | -174.8 | -64 | -76.1 | 0 | 0 | 0 | 113.9 | L1044 I1063 I1069 I1070 L1073 L1107 N1109 G1113 L1117 | L1044-F1111 HydrophobicContact CD1-CE2 3.87Å; L1044-F1111 HydrophobicContact CD1-CZ 4.17Å; I1063-F1111 HydrophobicContact CD1-CE1 3.56Å; I1063-F1111 HydrophobicContact CD1-CE2 4.3Å; I1063-F1111 HydrophobicContact CD1-CZ 3.36Å; I1069-F1111 HydrophobicContact CG2-CE2 4.43Å; I1069-F1111 HydrophobicContact CG2-CZ 4.19Å; I1070-F1111 HydrophobicContact CD1-CE1 4.47Å; I1070-F1111 HydrophobicContact CG1-CE1 3.86Å; I1070-F1111 HydrophobicContact CG1-CZ 4.34Å; L1073-F1111 HydrophobicContact CD2-CB 4.46Å; L1073-F1111 HydrophobicContact CD2-CD2 3.34Å; L1073-F1111 VanDerWaalsContact CD2-CD2 3.49Å; L1073-F1111 HydrophobicContact CD2-CE2 3.42Å; L1073-F1111 VanDerWaalsContact CD2-CE2 3.47Å; L1073-F1111 HydrophobicContact CD2-CG 3.99Å; L1073-F1111 HydrophobicContact CD2-CZ 4.12Å; L1107-F1111 HydrophobicContact CD2-CD2 4.49Å; L1107-F1111 HydrophobicContact CD2-CE2 4.16Å; L1107-F1111 VanDerWaalsContact O-CD2 3.31Å; L1107-F1111 WeakPolarHBondContact O-CD2 3.39Å; L1107-F1111 PolarHBondContact O-N 3.1Å; L1107-F1111 VanDerWaalsContact O-N 3.12Å; N1109-F1111 VanDerWaalsContact C-N 3.33Å; N1109-F1111 PolarHBondContact O-N 3.12Å; F1111-G1113 VanDerWaalsContact C-N 3.32Å; F1111-G1113 PolarHBondContact O-N 3.23Å; F1111-G1113 VanDerWaalsContact O-N 3.12Å; F1111-L1117 HydrophobicContact CB-CD2 3.98Å | ||
| 1112 | P | 66 | Low | 81.3 | Confident | 75 Ų | 75 | 29.3 Ų | 29.3 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -1.4 | -175 | 30.1 | -36.4 | 0 | 0 | 0 | 115.2 | V1110 | V1110-P1112 VanDerWaalsContact C-CD 3.4Å; V1110-P1112 VanDerWaalsContact O-CD 3.25Å; V1110-P1112 WeakPolarHBondContact O-CD 3.38Å |
| 1113 | G | 64.6 | Low | 81.2 | Confident | 75.4 Ų | 75.4 | 29.4 Ų | 29.4 | 78% | 0.777 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -30.2 | -160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | F1111 | F1111-G1113 VanDerWaalsContact C-N 3.32Å; F1111-G1113 PolarHBondContact O-N 3.23Å; F1111-G1113 VanDerWaalsContact O-N 3.12Å |
| 1114 | S | 71.9 | Confident | 81.3 | Confident | 46.2 Ų | 46.2 | 29.2 Ų | 29.2 | 32% | 0.323 | 17% | 0.174 | S | C | . | . | trans | -105.8 | 115.5 | -175.6 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | T1116 L1117 H1118 | S1114-T1116 PolarHBondContact O-N 3.28Å; S1114-T1116 VanDerWaalsContact O-N 3.14Å; S1114-T1116 PolarHBondContact OG-OG1 3.22Å; S1114-T1116 VanDerWaalsContact OG-OG1 3.13Å; S1114-L1117 PolarHBondContact O-N 3.07Å; S1114-L1117 VanDerWaalsContact O-N 3.13Å; S1114-L1117 WeakPolarHBondContact OG-CB 3.37Å; S1114-L1117 WeakPolarHBondContact OG-CD2 3.4Å; S1114-L1117 PolarHBondContact OG-N 3.03Å; S1114-H1118 VanDerWaalsContact O-CB 3.27Å; S1114-H1118 WeakPolarHBondContact O-CB 3.41Å; S1114-H1118 PolarHBondContact O-N 3.24Å | ||
| 1115 | E | 72.4 | Confident | 81.3 | Confident | 163.6 Ų | 163.6 | 29.3 Ų | 29.3 | 76% | 0.764 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -54.9 | -35.3 | -179.5 | -65.9 | -176.1 | 169.6 | 0 | 0 | 112.7 | R1119 | E1115-R1119 VanDerWaalsContact O-CB 3.24Å; E1115-R1119 WeakPolarHBondContact O-CB 3.38Å; E1115-R1119 PolarHBondContact O-N 3.01Å |
| 1116 | T | 77.1 | Confident | 81.4 | Confident | 93.2 Ų | 93.2 | 29.2 Ų | 29.2 | 57% | 0.572 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -71.2 | -46 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | S1114 H1118 R1119 D1120 | S1114-T1116 PolarHBondContact O-N 3.28Å; S1114-T1116 VanDerWaalsContact O-N 3.14Å; S1114-T1116 PolarHBondContact OG-OG1 3.22Å; S1114-T1116 VanDerWaalsContact OG-OG1 3.13Å; T1116-H1118 VanDerWaalsContact C-N 3.29Å; T1116-H1118 PolarHBondContact O-N 3.04Å; T1116-R1119 WeakPolarHBondContact O-CB 3.46Å; T1116-R1119 PolarHBondContact O-N 3.29Å; T1116-D1120 VanDerWaalsContact O-CG 3.29Å; T1116-D1120 PolarHBondContact O-N 3.15Å |
| 1117 | L | 82.2 | Confident | 81.6 | Confident | 8.4 Ų | 8.4 | 29.2 Ų | 29.2 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 176.3 | 168.6 | 106.2 | 0 | 0 | 0 | 110.6 | L1073 P1074 V1077 F1111 S1114 R1119 D1120 F1121 | L1073-L1117 HydrophobicContact CD2-CD1 4.03Å; L1073-L1117 HydrophobicContact CD2-CD2 4.41Å; L1073-L1117 HydrophobicContact CG-CD1 4.16Å; P1074-L1117 HydrophobicContact CB-CB 4.47Å; P1074-L1117 HydrophobicContact CB-CD1 4.15Å; P1074-L1117 HydrophobicContact CG-CD1 4.06Å; V1077-L1117 HydrophobicContact CB-CD1 4.16Å; V1077-L1117 HydrophobicContact CG2-CD1 3.96Å; F1111-L1117 HydrophobicContact CB-CD2 3.98Å; S1114-L1117 PolarHBondContact O-N 3.07Å; S1114-L1117 VanDerWaalsContact O-N 3.13Å; S1114-L1117 WeakPolarHBondContact OG-CB 3.37Å; S1114-L1117 WeakPolarHBondContact OG-CD2 3.4Å; S1114-L1117 PolarHBondContact OG-N 3.03Å; L1117-R1119 VanDerWaalsContact C-N 3.3Å; L1117-R1119 PolarHBondContact O-N 3.06Å; L1117-D1120 PolarHBondContact O-N 2.94Å; L1117-F1121 HydrophobicContact CD1-CD2 4.17Å; L1117-F1121 HydrophobicContact CD1-CE2 3.92Å; L1117-F1121 HydrophobicContact CD1-CZ 4.32Å; L1117-F1121 HydrophobicContact CD2-CD2 3.93Å; L1117-F1121 HydrophobicContact CD2-CE2 3.73Å; L1117-F1121 VanDerWaalsContact CD2-CE2 3.46Å; L1117-F1121 HydrophobicContact CG-CD2 3.85Å; L1117-F1121 HydrophobicContact CG-CE2 3.6Å; L1117-F1121 VanDerWaalsContact O-CD2 3.27Å; L1117-F1121 WeakPolarHBondContact O-CD2 3.37Å; L1117-F1121 PolarHBondContact O-N 3.05Å |
| 1118 | H | 81.1 | Confident | 81.8 | Confident | 14.4 Ų | 14.4 | 29.4 Ų | 29.4 | 7% | 0.067 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.3 | -176.1 | 57.1 | 0 | 0 | 0 | 111.3 | Q952 Q956 S1114 T1116 D1120 F1121 V1122 | Q952-H1118 PolarHBondContact O-NE2 3.11Å; Q956-H1118 WeakPolarHBondContact CB-CE1 3.46Å; Q956-H1118 VanDerWaalsContact CB-NE2 3.33Å; Q956-H1118 WeakPolarHBondContact CB-NE2 3.21Å; Q956-H1118 WeakPolarHBondContact CG-CE1 3.3Å; Q956-H1118 PolarHBondContact O-CE1 3.3Å; Q956-H1118 PolarHBondContact O-NE2 3.18Å; Q956-H1118 PolarHBondContact OE1-CE1 2.89Å; S1114-H1118 VanDerWaalsContact O-CB 3.27Å; S1114-H1118 WeakPolarHBondContact O-CB 3.41Å; S1114-H1118 PolarHBondContact O-N 3.24Å; T1116-H1118 VanDerWaalsContact C-N 3.29Å; T1116-H1118 PolarHBondContact O-N 3.04Å; H1118-D1120 PolarHBondContact O-N 3.32Å; H1118-F1121 WeakPolarHBondContact O-CB 3.37Å; H1118-F1121 PolarHBondContact O-N 2.97Å; H1118-V1122 VanDerWaalsContact CE1-CG2 3.42Å; H1118-V1122 WeakPolarHBondContact CE1-CG2 3.48Å; H1118-V1122 WeakPolarHBondContact NE2-CG2 3.43Å; H1118-V1122 WeakPolarHBondContact O-CG2 3.36Å; H1118-V1122 PolarHBondContact O-N 3.21Å |
| 1119 | R | 80.3 | Confident | 81.9 | Confident | 62.6 Ų | 62.6 | 29.4 Ų | 29.4 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 174.6 | -178.6 | -177.2 | 106.7 | -170.3 | -4.9 | 112 | P961 L962 E1115 T1116 L1117 F1121 V1122 D1123 | P961-R1119 HydrophobicContact CB-CB 4Å; P961-R1119 HydrophobicContact CB-CG 3.65Å; P961-R1119 HydrophobicContact CG-CB 4.23Å; P961-R1119 HydrophobicContact CG-CG 3.85Å; L962-R1119 VanDerWaalsContact CB-NH2 3.33Å; E1115-R1119 VanDerWaalsContact O-CB 3.24Å; E1115-R1119 WeakPolarHBondContact O-CB 3.38Å; E1115-R1119 PolarHBondContact O-N 3.01Å; T1116-R1119 WeakPolarHBondContact O-CB 3.46Å; T1116-R1119 PolarHBondContact O-N 3.29Å; L1117-R1119 VanDerWaalsContact C-N 3.3Å; L1117-R1119 PolarHBondContact O-N 3.06Å; R1119-F1121 VanDerWaalsContact C-N 3.28Å; R1119-F1121 PolarHBondContact O-N 3.16Å; R1119-V1122 PolarHBondContact O-N 3.25Å; R1119-V1122 VanDerWaalsContact O-N 3.15Å; R1119-D1123 WeakPolarHBondContact O-CB 3.33Å; R1119-D1123 VanDerWaalsContact O-CG 3.28Å; R1119-D1123 PolarHBondContact O-N 3.19Å |
| 1120 | D | 85.4 | Confident | 82.5 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.2 | -34 | -178.4 | -70.6 | 3.3 | 0 | 0 | 0 | 111.5 | R968 V1077 H1078 C1081 T1116 L1117 H1118 L1124 | R968-D1120 IonicContact CZ-OD1 2.85Å; R968-D1120 IonicContact NH2-OD1 3.96Å; R968-D1120 PolarHBondContact NH2-OD1 3.09Å; V1077-D1120 HydrophobicContact CG1-CB 3.73Å; H1078-D1120 IonicContact CE1-OD2 2.98Å; H1078-D1120 IonicContact CG-OD2 3.25Å; H1078-D1120 IonicContact ND1-OD2 3.11Å; H1078-D1120 PolarHBondContact ND1-OD2 3.02Å; C1081-D1120 PolarHBondContact SG-O 3.19Å; T1116-D1120 VanDerWaalsContact O-CG 3.29Å; T1116-D1120 PolarHBondContact O-N 3.15Å; L1117-D1120 PolarHBondContact O-N 2.94Å; H1118-D1120 PolarHBondContact O-N 3.32Å; D1120-L1124 VanDerWaalsContact O-CB 3.27Å; D1120-L1124 WeakPolarHBondContact O-CB 3.39Å; D1120-L1124 PolarHBondContact O-N 2.99Å |
| 1121 | F | 88.8 | Confident | 82.9 | Confident | 0.4 Ų | 0.4 | 29.3 Ų | 29.3 | 0% | 0.002 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 171.2 | -82.3 | -55.9 | 0 | 0 | 0 | 112.8 | F1037 L1073 V1077 I1104 L1107 M1108 L1117 H1118 R1119 D1123 L1124 I1125 | F1037-F1121 HydrophobicContact CE1-CE1 4.33Å; L1073-F1121 HydrophobicContact CD1-CZ 4.17Å; L1073-F1121 HydrophobicContact CD2-CZ 4.26Å; L1073-F1121 HydrophobicContact CG-CZ 4.34Å; V1077-F1121 HydrophobicContact CB-CE1 4.38Å; V1077-F1121 HydrophobicContact CG1-CD1 3.73Å; V1077-F1121 HydrophobicContact CG1-CD2 4.45Å; V1077-F1121 HydrophobicContact CG1-CE1 4.01Å; V1077-F1121 HydrophobicContact CG1-CG 4.02Å; V1077-F1121 HydrophobicContact CG1-CZ 4.44Å; V1077-F1121 HydrophobicContact CG2-CD1 3.97Å; V1077-F1121 HydrophobicContact CG2-CD2 4.47Å; V1077-F1121 HydrophobicContact CG2-CE1 3.36Å; V1077-F1121 VanDerWaalsContact CG2-CE1 3.48Å; V1077-F1121 HydrophobicContact CG2-CE2 4.07Å; V1077-F1121 HydrophobicContact CG2-CZ 3.42Å; V1077-F1121 VanDerWaalsContact CG2-CZ 3.44Å; I1104-F1121 HydrophobicContact CD1-CD1 4.36Å; I1104-F1121 HydrophobicContact CD1-CE1 4.02Å; I1104-F1121 HydrophobicContact CG2-CD1 3.76Å; I1104-F1121 HydrophobicContact CG2-CE1 4.25Å; L1107-F1121 HydrophobicContact CB-CE1 4.17Å; L1107-F1121 HydrophobicContact CB-CE2 4.47Å; L1107-F1121 HydrophobicContact CB-CZ 3.77Å; M1108-F1121 HydrophobicContact CB-CB 4.05Å; M1108-F1121 HydrophobicContact CB-CD1 4.36Å; M1108-F1121 HydrophobicContact CB-CD2 3.89Å; M1108-F1121 HydrophobicContact CB-CE2 4.25Å; M1108-F1121 HydrophobicContact CB-CG 3.9Å; M1108-F1121 HydrophobicContact CB-CZ 4.48Å; M1108-F1121 HydrophobicContact CG-CB 3.9Å; M1108-F1121 HydrophobicContact CG-CD2 4.12Å; M1108-F1121 HydrophobicContact CG-CG 4.23Å; M1108-F1121 HydrophobicContact SD-CB 4.14Å; L1117-F1121 HydrophobicContact CD1-CD2 4.17Å; L1117-F1121 HydrophobicContact CD1-CE2 3.92Å; L1117-F1121 HydrophobicContact CD1-CZ 4.32Å; L1117-F1121 HydrophobicContact CD2-CD2 3.93Å; L1117-F1121 HydrophobicContact CD2-CE2 3.73Å; L1117-F1121 VanDerWaalsContact CD2-CE2 3.46Å; L1117-F1121 HydrophobicContact CG-CD2 3.85Å; L1117-F1121 HydrophobicContact CG-CE2 3.6Å; L1117-F1121 VanDerWaalsContact O-CD2 3.27Å; L1117-F1121 WeakPolarHBondContact O-CD2 3.37Å; L1117-F1121 PolarHBondContact O-N 3.05Å; H1118-F1121 WeakPolarHBondContact O-CB 3.37Å; H1118-F1121 PolarHBondContact O-N 2.97Å; R1119-F1121 VanDerWaalsContact C-N 3.28Å; R1119-F1121 PolarHBondContact O-N 3.16Å; F1121-D1123 VanDerWaalsContact C-N 3.32Å; F1121-D1123 PolarHBondContact O-N 3.02Å; F1121-L1124 PolarHBondContact O-N 3.34Å; F1121-I1125 VanDerWaalsContact O-CG1 3.29Å; F1121-I1125 WeakPolarHBondContact O-CG1 3.4Å; F1121-I1125 PolarHBondContact O-N 3.18Å |
| 1122 | V | 87 | Confident | 83.1 | Confident | 4.8 Ų | 4.8 | 30.6 Ų | 30.6 | 3% | 0.029 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 111 | L953 F957 M1108 H1118 R1119 I1125 T1126 P1155 | L953-V1122 HydrophobicContact CD2-CB 3.97Å; L953-V1122 HydrophobicContact CD2-CG1 3.78Å; L953-V1122 HydrophobicContact CD2-CG2 3.76Å; F957-V1122 HydrophobicContact CD1-CG1 4.07Å; F957-V1122 HydrophobicContact CE1-CG1 3.89Å; F957-V1122 HydrophobicContact CE1-CG2 4.5Å; F957-V1122 HydrophobicContact CE2-CG2 4.4Å; F957-V1122 HydrophobicContact CZ-CG1 4.43Å; F957-V1122 HydrophobicContact CZ-CG2 4.39Å; M1108-V1122 HydrophobicContact SD-CG2 4.16Å; H1118-V1122 VanDerWaalsContact CE1-CG2 3.42Å; H1118-V1122 WeakPolarHBondContact CE1-CG2 3.48Å; H1118-V1122 WeakPolarHBondContact NE2-CG2 3.43Å; H1118-V1122 WeakPolarHBondContact O-CG2 3.36Å; H1118-V1122 PolarHBondContact O-N 3.21Å; R1119-V1122 PolarHBondContact O-N 3.25Å; R1119-V1122 VanDerWaalsContact O-N 3.15Å; V1122-I1125 PolarHBondContact O-N 3.07Å; V1122-T1126 WeakPolarHBondContact O-CB 3.21Å; V1122-T1126 PolarHBondContact O-N 3.11Å; V1122-T1126 PolarHBondContact O-OG1 3.16Å; V1122-P1155 HydrophobicContact CG1-CB 3.72Å; V1122-P1155 HydrophobicContact CG1-CG 3.86Å |
| 1123 | D | 87 | Confident | 84 | Confident | 2.4 Ų | 2.4 | 27.5 Ų | 27.5 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 173.7 | -73.5 | -15.8 | 0 | 0 | 0 | 110.6 | L964 R968 C1081 R1119 F1121 I1125 T1126 L1127 P1155 F1156 | L964-D1123 HydrophobicContact CD1-CB 4.28Å; R968-D1123 IonicContact CZ-OD2 2.81Å; R968-D1123 IonicContact NH1-OD2 2.95Å; R968-D1123 IonicContact NH2-OD2 3.93Å; R968-D1123 PolarHBondContact NH2-OD2 3.49Å; C1081-D1123 VanDerWaalsContact SG-CB 3.56Å; R1119-D1123 WeakPolarHBondContact O-CB 3.33Å; R1119-D1123 VanDerWaalsContact O-CG 3.28Å; R1119-D1123 PolarHBondContact O-N 3.19Å; F1121-D1123 VanDerWaalsContact C-N 3.32Å; F1121-D1123 PolarHBondContact O-N 3.02Å; D1123-I1125 PolarHBondContact O-N 3.14Å; D1123-T1126 WeakPolarHBondContact O-CB 3.35Å; D1123-T1126 PolarHBondContact O-N 3.2Å; D1123-L1127 VanDerWaalsContact O-CG 3.25Å; D1123-L1127 WeakPolarHBondContact O-CG 3.28Å; D1123-L1127 PolarHBondContact O-N 3.16Å; D1123-P1155 VanDerWaalsContact OD1-CB 3.31Å; D1123-P1155 WeakPolarHBondContact OD1-CB 3.32Å; D1123-P1155 VanDerWaalsContact OD1-CG 3.22Å; D1123-P1155 WeakPolarHBondContact OD1-CG 3.3Å; D1123-F1156 HydrophobicContact CB-CD1 4.47Å; D1123-F1156 WeakPolarHBondContact OD1-CD1 3.26Å |
| 1124 | L | 90 | Very high | 85 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | -179.7 | -177.1 | 60 | 0 | 0 | 0 | 112.2 | A1080 A1084 F1094 F1100 I1104 D1120 F1121 T1126 L1127 I1128 | A1080-L1124 HydrophobicContact CB-CD1 4.31Å; A1080-L1124 HydrophobicContact CB-CD2 3.77Å; A1084-L1124 HydrophobicContact CB-CD1 3.91Å; F1094-L1124 HydrophobicContact CD2-CD1 4.15Å; F1094-L1124 HydrophobicContact CE2-CD1 4.25Å; F1100-L1124 HydrophobicContact CE1-CD2 4.43Å; F1100-L1124 HydrophobicContact CZ-CD2 4.36Å; I1104-L1124 HydrophobicContact CD1-CD2 3.57Å; I1104-L1124 HydrophobicContact CD1-CG 4.01Å; I1104-L1124 HydrophobicContact CG1-CD2 4.22Å; I1104-L1124 HydrophobicContact CG2-CD2 4.47Å; D1120-L1124 VanDerWaalsContact O-CB 3.27Å; D1120-L1124 WeakPolarHBondContact O-CB 3.39Å; D1120-L1124 PolarHBondContact O-N 2.99Å; F1121-L1124 PolarHBondContact O-N 3.34Å; L1124-T1126 VanDerWaalsContact C-N 3.31Å; L1124-T1126 PolarHBondContact O-N 3.13Å; L1124-L1127 PolarHBondContact O-N 3.27Å; L1124-I1128 HydrophobicContact CD1-CD1 4.12Å; L1124-I1128 HydrophobicContact CD1-CG1 4.45Å; L1124-I1128 HydrophobicContact CG-CD1 4Å; L1124-I1128 WeakPolarHBondContact O-CD1 3.48Å; L1124-I1128 VanDerWaalsContact O-CG1 3.27Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.36Å; L1124-I1128 PolarHBondContact O-N 3.13Å |
| 1125 | I | 90.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 175.8 | -67.9 | 166.3 | 0 | 0 | 0 | 110.2 | C858 L953 F957 L1101 I1104 I1105 M1108 F1121 V1122 D1123 L1127 I1128 A1129 | C858-I1125 HydrophobicContact CB-CG2 4.02Å; L953-I1125 HydrophobicContact CD1-CG2 4.23Å; L953-I1125 HydrophobicContact CD2-CB 4.44Å; L953-I1125 HydrophobicContact CD2-CD1 4.07Å; L953-I1125 HydrophobicContact CD2-CG2 4.37Å; F957-I1125 HydrophobicContact CZ-CD1 4.17Å; F957-I1125 HydrophobicContact CZ-CG2 4.2Å; L1101-I1125 HydrophobicContact CD1-CG1 4.43Å; L1101-I1125 HydrophobicContact CD1-CG2 4.42Å; I1104-I1125 HydrophobicContact CG2-CD1 3.92Å; I1104-I1125 HydrophobicContact CG2-CG1 3.55Å; I1105-I1125 HydrophobicContact CG1-CD1 4.14Å; I1105-I1125 HydrophobicContact CG1-CG1 4.47Å; M1108-I1125 HydrophobicContact CE-CD1 4.1Å; M1108-I1125 HydrophobicContact SD-CD1 3.72Å; F1121-I1125 VanDerWaalsContact O-CG1 3.29Å; F1121-I1125 WeakPolarHBondContact O-CG1 3.4Å; F1121-I1125 PolarHBondContact O-N 3.18Å; V1122-I1125 PolarHBondContact O-N 3.07Å; D1123-I1125 PolarHBondContact O-N 3.14Å; I1125-L1127 PolarHBondContact O-N 3.19Å; I1125-I1128 PolarHBondContact O-N 3.11Å; I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.31Å; I1125-A1129 PolarHBondContact O-N 3.27Å |
| 1126 | T | 89.6 | Confident | 85.8 | Confident | 0.8 Ų | 0.8 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | L862 V1122 D1123 L1124 I1128 A1129 F1130 L1154 P1155 F1156 | L862-T1126 HydrophobicContact CD1-CG2 3.83Å; V1122-T1126 WeakPolarHBondContact O-CB 3.21Å; V1122-T1126 PolarHBondContact O-N 3.11Å; V1122-T1126 PolarHBondContact O-OG1 3.16Å; D1123-T1126 WeakPolarHBondContact O-CB 3.35Å; D1123-T1126 PolarHBondContact O-N 3.2Å; L1124-T1126 VanDerWaalsContact C-N 3.31Å; L1124-T1126 PolarHBondContact O-N 3.13Å; T1126-I1128 VanDerWaalsContact C-N 3.34Å; T1126-I1128 PolarHBondContact O-N 3.43Å; T1126-A1129 PolarHBondContact O-N 3.06Å; T1126-F1130 HydrophobicContact CG2-CD2 3.94Å; T1126-F1130 HydrophobicContact CG2-CE2 4.3Å; T1126-F1130 WeakPolarHBondContact O-CD2 3.3Å; T1126-F1130 PolarHBondContact O-N 3.09Å; T1126-F1130 VanDerWaalsContact O-N 3.09Å; T1126-L1154 HydrophobicContact CG2-CD2 3.9Å; T1126-P1155 HydrophobicContact CG2-CG 4.25Å; T1126-P1155 WeakPolarHBondContact OG1-CD 3.35Å; T1126-P1155 VanDerWaalsContact OG1-CG 3.25Å; T1126-P1155 WeakPolarHBondContact OG1-CG 3.27Å; T1126-F1156 HydrophobicContact CG2-CE1 3.81Å; T1126-F1156 HydrophobicContact CG2-CZ 3.92Å |
| 1127 | L | 89.8 | Confident | 85.7 | Confident | 0.8 Ų | 0.8 | 21.1 Ų | 21.1 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.2 | -68.2 | 172.5 | 0 | 0 | 0 | 111.7 | L964 A1084 I1085 D1123 L1124 I1125 T1131 I1134 I1142 F1156 | L964-L1127 HydrophobicContact CD2-CD2 4.34Å; A1084-L1127 HydrophobicContact CB-CB 4.47Å; A1084-L1127 HydrophobicContact CB-CD1 3.98Å; I1085-L1127 HydrophobicContact CD1-CD1 4.5Å; I1085-L1127 HydrophobicContact CG1-CD1 3.68Å; D1123-L1127 VanDerWaalsContact O-CG 3.25Å; D1123-L1127 WeakPolarHBondContact O-CG 3.28Å; D1123-L1127 PolarHBondContact O-N 3.16Å; L1124-L1127 PolarHBondContact O-N 3.27Å; I1125-L1127 PolarHBondContact O-N 3.19Å; L1127-T1131 PolarHBondContact O-N 3.11Å; L1127-T1131 VanDerWaalsContact O-N 3.09Å; L1127-T1131 PolarHBondContact O-OG1 3.15Å; L1127-I1134 HydrophobicContact CD2-CD1 4.07Å; L1127-I1134 WeakPolarHBondContact O-CD1 3.33Å; L1127-I1142 HydrophobicContact CD1-CD1 4.35Å; L1127-I1142 HydrophobicContact CD2-CD1 3.34Å; L1127-I1142 HydrophobicContact CD2-CG1 4.08Å; L1127-I1142 HydrophobicContact CD2-CG2 4.41Å; L1127-I1142 HydrophobicContact CG-CD1 4.49Å; L1127-F1156 HydrophobicContact CD2-CE1 4.21Å; L1127-F1156 HydrophobicContact CD2-CZ 3.89Å; L1127-F1156 HydrophobicContact CG-CE1 4.28Å; L1127-F1156 HydrophobicContact CG-CZ 4.4Å |
| 1128 | I | 89.8 | Confident | 85 | Confident | 2.4 Ų | 2.4 | 28.2 Ų | 28.2 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 176.4 | -67.6 | 166.7 | 0 | 0 | 0 | 110.1 | F1094 F1100 L1101 I1104 L1124 I1125 T1126 F1130 T1131 | F1094-I1128 HydrophobicContact CB-CD1 4.13Å; F1094-I1128 HydrophobicContact CB-CG1 4Å; F1100-I1128 HydrophobicContact CD1-CD1 4.03Å; F1100-I1128 HydrophobicContact CE1-CD1 3.83Å; L1101-I1128 HydrophobicContact CD1-CD1 4.46Å; L1101-I1128 HydrophobicContact CD1-CG2 4.18Å; L1101-I1128 HydrophobicContact CD2-CG2 4.39Å; I1104-I1128 HydrophobicContact CD1-CD1 3.85Å; L1124-I1128 HydrophobicContact CD1-CD1 4.12Å; L1124-I1128 HydrophobicContact CD1-CG1 4.45Å; L1124-I1128 HydrophobicContact CG-CD1 4Å; L1124-I1128 WeakPolarHBondContact O-CD1 3.48Å; L1124-I1128 VanDerWaalsContact O-CG1 3.27Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.36Å; L1124-I1128 PolarHBondContact O-N 3.13Å; I1125-I1128 PolarHBondContact O-N 3.11Å; T1126-I1128 VanDerWaalsContact C-N 3.34Å; T1126-I1128 PolarHBondContact O-N 3.43Å; I1128-F1130 VanDerWaalsContact C-N 3.31Å; I1128-F1130 PolarHBondContact O-N 3.14Å; I1128-T1131 WeakPolarHBondContact CA-OG1 3.27Å; I1128-T1131 WeakPolarHBondContact O-CB 3.32Å; I1128-T1131 PolarHBondContact O-N 3.27Å; I1128-T1131 VanDerWaalsContact O-N 3.15Å; I1128-T1131 PolarHBondContact O-OG1 3.1Å; I1128-T1131 VanDerWaalsContact O-OG1 3.06Å |
| 1129 | A | 89.3 | Confident | 84.4 | Confident | 1.6 Ų | 1.6 | 35.7 Ų | 35.7 | 1% | 0.013 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -32.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | T855 C858 R859 I1125 T1126 | T855-A1129 HydrophobicContact CG2-CB 4.41Å; C858-A1129 HydrophobicContact CB-CB 4.11Å; R859-A1129 WeakPolarHBondContact CD-O 3.19Å; R859-A1129 HydrophobicContact CG-CB 3.89Å; I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.31Å; I1125-A1129 PolarHBondContact O-N 3.27Å; T1126-A1129 PolarHBondContact O-N 3.06Å |
| 1130 | F | 90.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 8.1 | 177.8 | -70.5 | -73.4 | 0 | 0 | 0 | 114.5 | I800 R859 L862 T1126 I1128 P1132 V1133 I1134 L1144 V1148 Y1152 L1154 | I800-F1130 HydrophobicContact CG2-CD1 4.05Å; I800-F1130 HydrophobicContact CG2-CE1 4.07Å; R859-F1130 HydrophobicContact CB-CE1 4.4Å; R859-F1130 HydrophobicContact CB-CZ 4.01Å; R859-F1130 HydrophobicContact CG-CD1 4.29Å; R859-F1130 HydrophobicContact CG-CD2 4.48Å; R859-F1130 HydrophobicContact CG-CE1 3.81Å; R859-F1130 HydrophobicContact CG-CE2 4.07Å; R859-F1130 HydrophobicContact CG-CZ 3.69Å; L862-F1130 HydrophobicContact CD1-CE2 3.81Å; T1126-F1130 HydrophobicContact CG2-CD2 3.94Å; T1126-F1130 HydrophobicContact CG2-CE2 4.3Å; T1126-F1130 WeakPolarHBondContact O-CD2 3.3Å; T1126-F1130 PolarHBondContact O-N 3.09Å; T1126-F1130 VanDerWaalsContact O-N 3.09Å; I1128-F1130 VanDerWaalsContact C-N 3.31Å; I1128-F1130 PolarHBondContact O-N 3.14Å; F1130-P1132 VanDerWaalsContact C-N 3.27Å; F1130-P1132 WeakPolarHBondContact O-CD 3.39Å; F1130-P1132 VanDerWaalsContact O-N 3.09Å; F1130-V1133 HydrophobicContact CB-CG2 4.12Å; F1130-V1133 HydrophobicContact CD1-CG2 4.11Å; F1130-V1133 VanDerWaalsContact O-CG2 3.27Å; F1130-V1133 WeakPolarHBondContact O-CG2 3.29Å; F1130-V1133 PolarHBondContact O-N 3.16Å; F1130-I1134 HydrophobicContact CB-CD1 4.43Å; F1130-I1134 HydrophobicContact CB-CG1 4.41Å; F1130-I1134 WeakPolarHBondContact O-CG1 3.42Å; F1130-I1134 PolarHBondContact O-N 3.14Å; F1130-I1134 VanDerWaalsContact O-N 3.12Å; F1130-L1144 HydrophobicContact CB-CD2 3.87Å; F1130-L1144 HydrophobicContact CG-CD2 4.46Å; F1130-V1148 HydrophobicContact CD1-CG1 3.64Å; F1130-V1148 HydrophobicContact CD1-CG2 4.33Å; F1130-V1148 HydrophobicContact CD2-CG1 4.47Å; F1130-V1148 HydrophobicContact CE1-CB 4.41Å; F1130-V1148 HydrophobicContact CE1-CG1 3.34Å; F1130-V1148 HydrophobicContact CE1-CG2 4.24Å; F1130-V1148 HydrophobicContact CE2-CG1 4.33Å; F1130-V1148 HydrophobicContact CG-CG1 4.26Å; F1130-V1148 HydrophobicContact CZ-CG1 3.73Å; F1130-Y1152 AromaticContact CE1-CD2 3.99Å; F1130-Y1152 HydrophobicContact CE1-CD2 4.04Å; F1130-Y1152 AromaticContact CE1-CE2 3.83Å; F1130-Y1152 HydrophobicContact CE1-CE2 3.9Å; F1130-Y1152 HydrophobicContact CZ-CD1 4.23Å; F1130-Y1152 AromaticContact CZ-CD2 3.65Å; F1130-Y1152 HydrophobicContact CZ-CD2 3.65Å; F1130-Y1152 HydrophobicContact CZ-CE1 4.4Å; F1130-Y1152 AromaticContact CZ-CE2 3.76Å; F1130-Y1152 HydrophobicContact CZ-CE2 3.84Å; F1130-Y1152 AromaticContact CZ-CG 3.85Å; F1130-Y1152 HydrophobicContact CZ-CG 3.85Å; F1130-L1154 HydrophobicContact CD2-CD2 4.33Å; F1130-L1154 HydrophobicContact CE2-CD2 3.89Å |
| 1131 | T | 88.9 | Confident | 84 | Confident | 15.8 Ų | 15.8 | 33.1 Ų | 33.1 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -43.7 | -43.4 | 178.6 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | R1091 I1092 L1127 I1128 V1133 I1134 | R1091-T1131 HydrophobicContact CB-CG2 4.08Å; R1091-T1131 HydrophobicContact CG-CG2 3.9Å; R1091-T1131 WeakPolarHBondContact CG-OG1 3.15Å; I1092-T1131 HydrophobicContact CG1-CG2 4.25Å; L1127-T1131 PolarHBondContact O-N 3.11Å; L1127-T1131 VanDerWaalsContact O-N 3.09Å; L1127-T1131 PolarHBondContact O-OG1 3.15Å; I1128-T1131 WeakPolarHBondContact CA-OG1 3.27Å; I1128-T1131 WeakPolarHBondContact O-CB 3.32Å; I1128-T1131 PolarHBondContact O-N 3.27Å; I1128-T1131 VanDerWaalsContact O-N 3.15Å; I1128-T1131 PolarHBondContact O-OG1 3.1Å; I1128-T1131 VanDerWaalsContact O-OG1 3.06Å; T1131-V1133 PolarHBondContact O-N 3.22Å; T1131-V1133 VanDerWaalsContact O-N 3.1Å; T1131-I1134 PolarHBondContact O-N 3.23Å |
| 1132 | P | 83.7 | Confident | 83.8 | Confident | 57.2 Ų | 57.2 | 33.1 Ų | 33.1 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -63.5 | -17.1 | -178.6 | -23.4 | 34.8 | 0 | 0 | 0 | 115.5 | R796 P797 I800 F1130 | R796-P1132 HydrophobicContact CB-CB 4.38Å; P797-P1132 HydrophobicContact CG-CG 4.48Å; I800-P1132 HydrophobicContact CD1-CB 3.88Å; I800-P1132 HydrophobicContact CD1-CG 4.13Å; F1130-P1132 VanDerWaalsContact C-N 3.27Å; F1130-P1132 WeakPolarHBondContact O-CD 3.39Å; F1130-P1132 VanDerWaalsContact O-N 3.09Å |
| 1133 | V | 84.3 | Confident | 83.6 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -119.2 | 0.4 | -177.9 | -76 | 0 | 0 | 0 | 0 | 113.4 | R796 I800 F1130 T1131 Q1135 L1144 P1145 V1148 Y1161 F1163 | R796-V1133 HydrophobicContact CB-CG1 4.33Å; I800-V1133 HydrophobicContact CD1-CG1 3.78Å; I800-V1133 HydrophobicContact CD1-CG2 4.36Å; I800-V1133 HydrophobicContact CG2-CG1 4.09Å; I800-V1133 HydrophobicContact CG2-CG2 4.05Å; F1130-V1133 HydrophobicContact CB-CG2 4.12Å; F1130-V1133 HydrophobicContact CD1-CG2 4.11Å; F1130-V1133 VanDerWaalsContact O-CG2 3.27Å; F1130-V1133 WeakPolarHBondContact O-CG2 3.29Å; F1130-V1133 PolarHBondContact O-N 3.16Å; T1131-V1133 PolarHBondContact O-N 3.22Å; T1131-V1133 VanDerWaalsContact O-N 3.1Å; V1133-Q1135 PolarHBondContact O-N 3.12Å; V1133-L1144 HydrophobicContact CG2-CD2 4.01Å; V1133-P1145 HydrophobicContact CB-CG 3.92Å; V1133-P1145 HydrophobicContact CG1-CG 4.27Å; V1133-P1145 HydrophobicContact CG2-CG 4.14Å; V1133-V1148 HydrophobicContact CG2-CG2 4.45Å; V1133-Y1161 WeakPolarHBondContact O-CE1 3.29Å; V1133-Y1161 PolarHBondContact O-OH 3.05Å; V1133-F1163 HydrophobicContact CG1-CE2 4.26Å; V1133-F1163 HydrophobicContact CG1-CZ 4.31Å |
| 1134 | I | 85.9 | Confident | 83.6 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | trans | -75.2 | 120.7 | 175.8 | -69.3 | 167.8 | 0 | 0 | 0 | 109.3 | L1127 F1130 T1131 I1142 C1143 L1144 | L1127-I1134 HydrophobicContact CD2-CD1 4.07Å; L1127-I1134 WeakPolarHBondContact O-CD1 3.33Å; F1130-I1134 HydrophobicContact CB-CD1 4.43Å; F1130-I1134 HydrophobicContact CB-CG1 4.41Å; F1130-I1134 WeakPolarHBondContact O-CG1 3.42Å; F1130-I1134 PolarHBondContact O-N 3.14Å; F1130-I1134 VanDerWaalsContact O-N 3.12Å; T1131-I1134 PolarHBondContact O-N 3.23Å; I1134-I1142 HydrophobicContact CD1-CG2 4.45Å; I1134-I1142 HydrophobicContact CG1-CG2 4.42Å; I1134-I1142 HydrophobicContact CG2-CB 4.42Å; I1134-I1142 HydrophobicContact CG2-CG1 4.35Å; I1134-I1142 HydrophobicContact CG2-CG2 4.08Å; I1134-C1143 WeakPolarHBondContact CA-O 3.3Å; I1134-L1144 HydrophobicContact CB-CD2 4.46Å; I1134-L1144 HydrophobicContact CD1-CD2 4.43Å; I1134-L1144 HydrophobicContact CG1-CD2 3.49Å; I1134-L1144 VanDerWaalsContact CG1-CD2 3.45Å; I1134-L1144 HydrophobicContact CG1-CG 4.33Å | ||
| 1135 | Q | 83.7 | Confident | 83.4 | Confident | 97.8 Ų | 97.8 | 33.2 Ų | 33.2 | 46% | 0.457 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -103.1 | 155.9 | 169.9 | -66.3 | -175.2 | 0.2 | 0 | 0 | 110.7 | V1133 C1143 Y1161 | V1133-Q1135 PolarHBondContact O-N 3.12Å; Q1135-C1143 HydrophobicContact CB-CB 4.26Å; Q1135-C1143 PolarHBondContact N-O 3.19Å; Q1135-C1143 WeakPolarHBondContact O-CB 3.31Å; Q1135-C1143 PolarHBondContact O-N 3.08Å; Q1135-C1143 PolarHBondContact O-SG 2.78Å; Q1135-Y1161 HydrophobicContact CB-CD1 4.25Å; Q1135-Y1161 HydrophobicContact CB-CE1 3.91Å; Q1135-Y1161 VanDerWaalsContact CD-CE2 3.45Å; Q1135-Y1161 VanDerWaalsContact CD-CZ 3.41Å; Q1135-Y1161 HydrophobicContact CG-CD1 4.31Å; Q1135-Y1161 HydrophobicContact CG-CE1 3.65Å; Q1135-Y1161 HydrophobicContact CG-CE2 4.38Å; Q1135-Y1161 VanDerWaalsContact NE2-CE2 3.32Å; Q1135-Y1161 PolarHBondContact NE2-OH 2.89Å |
| 1136 | V | 78 | Confident | 83 | Confident | 84.4 Ų | 84.4 | 37.5 Ų | 37.5 | 51% | 0.512 | 20% | 0.201 | S | C | . | . | trans | -109.2 | 127.7 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | T1088 P1141 | T1088-V1136 WeakPolarHBondContact OG1-CG2 3.32Å; V1136-P1141 WeakPolarHBondContact CG2-O 3.42Å | ||
| 1137 | S | 74.4 | Confident | 82.6 | Confident | 44.2 Ų | 44.2 | 39 Ų | 39 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | trans | -110.9 | 170.5 | 172.7 | 77.4 | 0 | 0 | 0 | 0 | 111 | E1139 S1140 C1143 | S1137-E1139 PolarHBondContact O-N 3.21Å; S1137-E1139 PolarHBondContact OG-N 2.95Å; S1137-E1139 VanDerWaalsContact OG-N 3.12Å; S1137-S1140 PolarHBondContact N-O 3.31Å; S1137-S1140 CarbonylContact O-C 3.58Å; S1137-S1140 PolarHBondContact O-N 2.81Å; S1137-S1140 VanDerWaalsContact O-O 3.1Å; S1137-S1140 PolarHBondContact OG-N 2.92Å; S1137-S1140 VanDerWaalsContact OG-N 3.14Å; S1137-S1140 PolarHBondContact OG-O 3.21Å; S1137-S1140 PolarHBondContact OG-OG 3.13Å; S1137-C1143 VanDerWaalsContact CB-SG 3.56Å; S1137-C1143 PolarHBondContact OG-SG 3.16Å | ||
| 1138 | N | 67.7 | Low | 82.3 | Confident | 158.4 Ų | 158.4 | 39.2 Ų | 39.2 | 85% | 0.847 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -64.8 | -23.8 | 173.4 | -70.8 | -14.3 | 0 | 0 | 0 | 112.7 | R968 | R968-N1138 WeakPolarHBondContact CD-O 3.31Å; R968-N1138 PolarHBondContact NH1-O 3.11Å; R968-N1138 PolarHBondContact NH2-O 3Å |
| 1139 | E | 68.1 | Low | 82.1 | Confident | 171.8 Ų | 171.8 | 41.4 Ų | 41.4 | 80% | 0.803 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -97.1 | -26.5 | -175.5 | -63.8 | -178.8 | 179.5 | 0 | 0 | 112.5 | R968 S1137 | R968-E1139 WeakPolarHBondContact CB-O 3.42Å; R968-E1139 PolarHBondContact N-O 3.08Å; S1137-E1139 PolarHBondContact O-N 3.21Å; S1137-E1139 PolarHBondContact OG-N 2.95Å; S1137-E1139 VanDerWaalsContact OG-N 3.12Å |
| 1140 | S | 77.2 | Confident | 81.7 | Confident | 8.8 Ų | 8.8 | 46.1 Ų | 46.1 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | -147.1 | 134.2 | -174.3 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | S1137 I1142 C1143 S1159 | S1137-S1140 PolarHBondContact N-O 3.31Å; S1137-S1140 CarbonylContact O-C 3.58Å; S1137-S1140 PolarHBondContact O-N 2.81Å; S1137-S1140 VanDerWaalsContact O-O 3.1Å; S1137-S1140 PolarHBondContact OG-N 2.92Å; S1137-S1140 VanDerWaalsContact OG-N 3.14Å; S1137-S1140 PolarHBondContact OG-O 3.21Å; S1137-S1140 PolarHBondContact OG-OG 3.13Å; S1140-I1142 VanDerWaalsContact C-N 3.26Å; S1140-I1142 PolarHBondContact O-N 3.07Å; S1140-I1142 PolarHBondContact OG-O 3.33Å; S1140-C1143 PolarHBondContact OG-SG 3.08Å; S1140-S1159 VanDerWaalsContact CB-OG 3.28Å; S1140-S1159 WeakPolarHBondContact CB-OG 3.43Å; S1140-S1159 WeakPolarHBondContact OG-CB 3.39Å; S1140-S1159 PolarHBondContact OG-OG 3.11Å | ||
| 1141 | P | 79.4 | Confident | 81.4 | Confident | 11.8 Ų | 11.8 | 46.8 Ų | 46.8 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -71.4 | -19.5 | 180 | 31.1 | -37 | 0 | 0 | 0 | 113.2 | I965 L966 I1085 W1086 V1136 | I965-P1141 HydrophobicContact CD1-CG 4.09Å; L966-P1141 HydrophobicContact CD2-CG 3.83Å; L966-P1141 WeakPolarHBondContact O-CD 3.44Å; I1085-P1141 HydrophobicContact CG2-CB 4.28Å; I1085-P1141 HydrophobicContact CG2-CG 3.73Å; I1085-P1141 WeakPolarHBondContact O-CB 3.33Å; W1086-P1141 HydrophobicContact CD2-CB 4.25Å; W1086-P1141 HydrophobicContact CD2-CG 4.27Å; W1086-P1141 HydrophobicContact CE3-CB 3.72Å; W1086-P1141 HydrophobicContact CE3-CG 3.86Å; W1086-P1141 HydrophobicContact CH2-CB 4.4Å; W1086-P1141 HydrophobicContact CH2-CG 3.97Å; W1086-P1141 HydrophobicContact CZ2-CG 4.28Å; W1086-P1141 HydrophobicContact CZ3-CB 3.91Å; W1086-P1141 HydrophobicContact CZ3-CG 3.71Å; V1136-P1141 WeakPolarHBondContact CG2-O 3.42Å |
| 1142 | I | 84.3 | Confident | 81.4 | Confident | 1.8 Ų | 1.8 | 46.9 Ų | 46.9 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | trans | -128.9 | 115.9 | 179 | -63.6 | 158 | 0 | 0 | 0 | 108.3 | L964 L966 I1085 L1127 I1134 S1140 L1144 F1156 C1158 S1159 | L964-I1142 HydrophobicContact CD2-CD1 3.23Å; L966-I1142 HydrophobicContact CD1-CB 4.21Å; L966-I1142 HydrophobicContact CD1-CD1 3.56Å; L966-I1142 HydrophobicContact CD1-CG1 4.49Å; L966-I1142 HydrophobicContact CD2-CD1 4.16Å; L966-I1142 HydrophobicContact CG-CD1 4.43Å; I1085-I1142 HydrophobicContact CB-CD1 4.01Å; I1085-I1142 HydrophobicContact CG1-CD1 3.73Å; I1085-I1142 HydrophobicContact CG2-CD1 3.84Å; I1085-I1142 HydrophobicContact CG2-CG1 4.42Å; L1127-I1142 HydrophobicContact CD1-CD1 4.35Å; L1127-I1142 HydrophobicContact CD2-CD1 3.34Å; L1127-I1142 HydrophobicContact CD2-CG1 4.08Å; L1127-I1142 HydrophobicContact CD2-CG2 4.41Å; L1127-I1142 HydrophobicContact CG-CD1 4.49Å; I1134-I1142 HydrophobicContact CD1-CG2 4.45Å; I1134-I1142 HydrophobicContact CG1-CG2 4.42Å; I1134-I1142 HydrophobicContact CG2-CB 4.42Å; I1134-I1142 HydrophobicContact CG2-CG1 4.35Å; I1134-I1142 HydrophobicContact CG2-CG2 4.08Å; S1140-I1142 VanDerWaalsContact C-N 3.26Å; S1140-I1142 PolarHBondContact O-N 3.07Å; S1140-I1142 PolarHBondContact OG-O 3.33Å; I1142-L1144 HydrophobicContact CG2-CG 4.42Å; I1142-F1156 HydrophobicContact CG2-CE2 4.14Å; I1142-F1156 HydrophobicContact CG2-CZ 4.42Å; I1142-C1158 HydrophobicContact CG2-CB 4.19Å; I1142-C1158 WeakPolarHBondContact O-CB 3.23Å; I1142-S1159 PolarHBondContact O-OG 3.22Å | ||
| 1143 | C | 83.9 | Confident | 81.5 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.054 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.9 | 167.8 | -47.3 | 0 | 0 | 0 | 0 | 108.4 | I1134 Q1135 S1137 S1140 S1159 Y1161 | I1134-C1143 WeakPolarHBondContact CA-O 3.3Å; Q1135-C1143 HydrophobicContact CB-CB 4.26Å; Q1135-C1143 PolarHBondContact N-O 3.19Å; Q1135-C1143 WeakPolarHBondContact O-CB 3.31Å; Q1135-C1143 PolarHBondContact O-N 3.08Å; Q1135-C1143 PolarHBondContact O-SG 2.78Å; S1137-C1143 VanDerWaalsContact CB-SG 3.56Å; S1137-C1143 PolarHBondContact OG-SG 3.16Å; S1140-C1143 PolarHBondContact OG-SG 3.08Å; C1143-S1159 VanDerWaalsContact CA-O 3.27Å; C1143-S1159 WeakPolarHBondContact CA-O 3.36Å; C1143-S1159 WeakPolarHBondContact CA-OG 3.08Å; C1143-S1159 WeakPolarHBondContact CB-OG 3.12Å; C1143-S1159 PolarHBondContact SG-OG 3.1Å; C1143-Y1161 HydrophobicContact CB-CD1 3.88Å; C1143-Y1161 HydrophobicContact CB-CE1 4.44Å; C1143-Y1161 VanDerWaalsContact O-CE1 3.29Å; C1143-Y1161 WeakPolarHBondContact O-CE1 3.2Å |
| 1144 | L | 87.1 | Confident | 81.6 | Confident | 0.8 Ų | 0.8 | 48.9 Ų | 48.9 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 155.6 | 175 | -75.7 | 173.1 | 0 | 0 | 0 | 111.2 | F1130 V1133 I1134 I1142 Q1146 V1148 V1149 L1154 F1156 S1159 T1160 Y1161 | F1130-L1144 HydrophobicContact CB-CD2 3.87Å; F1130-L1144 HydrophobicContact CG-CD2 4.46Å; V1133-L1144 HydrophobicContact CG2-CD2 4.01Å; I1134-L1144 HydrophobicContact CB-CD2 4.46Å; I1134-L1144 HydrophobicContact CD1-CD2 4.43Å; I1134-L1144 HydrophobicContact CG1-CD2 3.49Å; I1134-L1144 VanDerWaalsContact CG1-CD2 3.45Å; I1134-L1144 HydrophobicContact CG1-CG 4.33Å; I1142-L1144 HydrophobicContact CG2-CG 4.42Å; L1144-Q1146 PolarHBondContact O-N 3.36Å; L1144-V1148 HydrophobicContact CD1-CG1 4.46Å; L1144-V1149 HydrophobicContact CB-CG2 3.83Å; L1144-L1154 HydrophobicContact CD1-CD1 3.65Å; L1144-L1154 HydrophobicContact CD1-CD2 4.39Å; L1144-F1156 HydrophobicContact CD1-CE2 4.24Å; L1144-F1156 HydrophobicContact CD1-CZ 4.43Å; L1144-S1159 PolarHBondContact N-O 3.28Å; L1144-S1159 VanDerWaalsContact N-O 3.16Å; L1144-T1160 CarbonylContact O-C 3.49Å; L1144-T1160 VanDerWaalsContact O-CA 3.24Å; L1144-T1160 WeakPolarHBondContact O-CA 3.23Å; L1144-Y1161 VanDerWaalsContact C-CD1 3.49Å; L1144-Y1161 WeakPolarHBondContact O-CD1 3.29Å; L1144-Y1161 PolarHBondContact O-N 3.05Å; L1144-Y1161 VanDerWaalsContact O-N 3.08Å |
| 1145 | P | 85.7 | Confident | 81.4 | Confident | 0.2 Ų | 0.2 | 48.4 Ų | 48.4 | 0% | 0.001 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 139.8 | 173 | -18.6 | 28.3 | 0 | 0 | 0 | 111.5 | V1133 E1147 V1148 V1149 Y1161 F1163 | V1133-P1145 HydrophobicContact CB-CG 3.92Å; V1133-P1145 HydrophobicContact CG1-CG 4.27Å; V1133-P1145 HydrophobicContact CG2-CG 4.14Å; P1145-E1147 WeakPolarHBondContact CB-OE2 3.36Å; P1145-E1147 PolarHBondContact O-N 3.02Å; P1145-E1147 VanDerWaalsContact O-N 3.15Å; P1145-V1148 HydrophobicContact CB-CB 4.3Å; P1145-V1148 HydrophobicContact CB-CG2 4.02Å; P1145-V1148 HydrophobicContact CG-CB 4.38Å; P1145-V1148 HydrophobicContact CG-CG2 3.86Å; P1145-V1148 WeakPolarHBondContact O-CB 3.25Å; P1145-V1148 PolarHBondContact O-N 3.34Å; P1145-V1149 WeakPolarHBondContact O-CG2 3.34Å; P1145-V1149 PolarHBondContact O-N 3.1Å; P1145-Y1161 CarbonylContact C-O 3.48Å; P1145-Y1161 WeakPolarHBondContact CA-O 3.28Å; P1145-Y1161 HydrophobicContact CG-CE1 4.05Å; P1145-Y1161 HydrophobicContact CG-CE2 4.29Å; P1145-Y1161 WeakPolarHBondContact CG-OH 3.43Å; P1145-F1163 HydrophobicContact CB-CD1 4.13Å; P1145-F1163 HydrophobicContact CB-CD2 4.2Å; P1145-F1163 HydrophobicContact CB-CE1 3.45Å; P1145-F1163 VanDerWaalsContact CB-CE1 3.44Å; P1145-F1163 HydrophobicContact CB-CE2 3.65Å; P1145-F1163 HydrophobicContact CB-CG 4.46Å; P1145-F1163 HydrophobicContact CB-CZ 3.21Å; P1145-F1163 HydrophobicContact CG-CD1 4.31Å; P1145-F1163 HydrophobicContact CG-CD2 4.29Å; P1145-F1163 HydrophobicContact CG-CE1 3.26Å; P1145-F1163 HydrophobicContact CG-CE2 3.95Å; P1145-F1163 VanDerWaalsContact CG-CE2 3.47Å; P1145-F1163 HydrophobicContact CG-CZ 3.32Å |
| 1146 | Q | 82.9 | Confident | 81.3 | Confident | 92.6 Ų | 92.6 | 44.2 Ų | 44.2 | 43% | 0.433 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.2 | -34.5 | 175.7 | -174.5 | 176.5 | 0.2 | 0 | 0 | 111.5 | L1144 V1148 V1149 T1150 T1160 Y1161 S1162 | L1144-Q1146 PolarHBondContact O-N 3.36Å; Q1146-V1148 VanDerWaalsContact C-N 3.32Å; Q1146-V1148 PolarHBondContact O-N 3.09Å; Q1146-V1149 PolarHBondContact O-N 3.09Å; Q1146-T1150 HydrophobicContact CG-CG2 4.29Å; Q1146-T1150 WeakPolarHBondContact O-CB 3.34Å; Q1146-T1150 VanDerWaalsContact O-CG2 3.26Å; Q1146-T1150 WeakPolarHBondContact O-CG2 3.4Å; Q1146-T1150 PolarHBondContact O-N 3.17Å; Q1146-T1150 PolarHBondContact O-OG1 3.15Å; Q1146-T1160 HydrophobicContact CB-CG2 4.44Å; Q1146-Y1161 PolarHBondContact N-O 3.05Å; Q1146-S1162 PolarHBondContact OE1-OG 2.78Å; Q1146-S1162 VanDerWaalsContact OE1-OG 3.05Å |
| 1147 | E | 79.8 | Confident | 81.4 | Confident | 31.2 Ų | 31.2 | 44.9 Ų | 44.9 | 15% | 0.146 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.4 | -32.3 | 178.4 | -58.4 | 79.4 | -173.4 | 0 | 0 | 112.5 | P1145 T1150 G1151 F1163 F1179 | P1145-E1147 WeakPolarHBondContact CB-OE2 3.36Å; P1145-E1147 PolarHBondContact O-N 3.02Å; P1145-E1147 VanDerWaalsContact O-N 3.15Å; E1147-T1150 WeakPolarHBondContact CA-OG1 3.35Å; E1147-T1150 PolarHBondContact O-OG1 3.23Å; E1147-G1151 WeakPolarHBondContact O-CA 3.37Å; E1147-G1151 PolarHBondContact O-N 3.16Å; E1147-G1151 VanDerWaalsContact O-N 3.13Å; E1147-F1163 HydrophobicContact CB-CD2 4.31Å; E1147-F1163 HydrophobicContact CB-CE2 4.16Å; E1147-F1163 VanDerWaalsContact CD-CD2 3.42Å; E1147-F1163 HydrophobicContact CG-CD2 3.96Å; E1147-F1163 HydrophobicContact CG-CE2 4.32Å; E1147-F1163 PolarHBondContact OE1-N 3.37Å; E1147-F1163 WeakPolarHBondContact OE2-CD2 3.37Å; E1147-F1179 HydrophobicContact CB-CD2 4.27Å; E1147-F1179 HydrophobicContact CB-CE2 4.1Å; E1147-F1179 HydrophobicContact CG-CD2 3.77Å; E1147-F1179 HydrophobicContact CG-CE2 3.74Å |
| 1148 | V | 84.4 | Confident | 81.7 | Confident | 4.4 Ų | 4.4 | 43.7 Ų | 43.7 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -74.7 | -46.6 | 174.3 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | I800 F1130 V1133 L1144 P1145 Q1146 T1150 G1151 Y1152 | I800-V1148 HydrophobicContact CG2-CG2 3.72Å; F1130-V1148 HydrophobicContact CD1-CG1 3.64Å; F1130-V1148 HydrophobicContact CD1-CG2 4.33Å; F1130-V1148 HydrophobicContact CD2-CG1 4.47Å; F1130-V1148 HydrophobicContact CE1-CB 4.41Å; F1130-V1148 HydrophobicContact CE1-CG1 3.34Å; F1130-V1148 HydrophobicContact CE1-CG2 4.24Å; F1130-V1148 HydrophobicContact CE2-CG1 4.33Å; F1130-V1148 HydrophobicContact CG-CG1 4.26Å; F1130-V1148 HydrophobicContact CZ-CG1 3.73Å; V1133-V1148 HydrophobicContact CG2-CG2 4.45Å; L1144-V1148 HydrophobicContact CD1-CG1 4.46Å; P1145-V1148 HydrophobicContact CB-CB 4.3Å; P1145-V1148 HydrophobicContact CB-CG2 4.02Å; P1145-V1148 HydrophobicContact CG-CB 4.38Å; P1145-V1148 HydrophobicContact CG-CG2 3.86Å; P1145-V1148 WeakPolarHBondContact O-CB 3.25Å; P1145-V1148 PolarHBondContact O-N 3.34Å; Q1146-V1148 VanDerWaalsContact C-N 3.32Å; Q1146-V1148 PolarHBondContact O-N 3.09Å; V1148-T1150 VanDerWaalsContact C-N 3.26Å; V1148-T1150 PolarHBondContact O-N 3.24Å; V1148-G1151 PolarHBondContact O-N 2.96Å; V1148-G1151 VanDerWaalsContact O-N 3.17Å; V1148-Y1152 HydrophobicContact CB-CD2 4.5Å; V1148-Y1152 HydrophobicContact CG1-CD2 3.98Å; V1148-Y1152 HydrophobicContact CG1-CE2 4.43Å; V1148-Y1152 VanDerWaalsContact O-CD2 3.32Å; V1148-Y1152 WeakPolarHBondContact O-CD2 3.43Å; V1148-Y1152 PolarHBondContact O-N 3.11Å |
| 1149 | V | 84.9 | Confident | 82.4 | Confident | 49.8 Ų | 49.8 | 38.2 Ų | 38.2 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.7 | -33.2 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | L1144 P1145 Q1146 L1154 T1160 | L1144-V1149 HydrophobicContact CB-CG2 3.83Å; P1145-V1149 WeakPolarHBondContact O-CG2 3.34Å; P1145-V1149 PolarHBondContact O-N 3.1Å; Q1146-V1149 PolarHBondContact O-N 3.09Å; V1149-L1154 HydrophobicContact CB-CD1 4.21Å; V1149-L1154 HydrophobicContact CG1-CD1 4.37Å; V1149-L1154 HydrophobicContact CG2-CD1 3.74Å; V1149-T1160 HydrophobicContact CB-CG2 3.97Å; V1149-T1160 HydrophobicContact CG1-CG2 4.14Å; V1149-T1160 HydrophobicContact CG2-CG2 3.62Å |
| 1150 | T | 82 | Confident | 83 | Confident | 100.6 Ų | 100.6 | 33.6 Ų | 33.6 | 62% | 0.617 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -82.5 | -28.4 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | Q1146 E1147 V1148 | Q1146-T1150 HydrophobicContact CG-CG2 4.29Å; Q1146-T1150 WeakPolarHBondContact O-CB 3.34Å; Q1146-T1150 VanDerWaalsContact O-CG2 3.26Å; Q1146-T1150 WeakPolarHBondContact O-CG2 3.4Å; Q1146-T1150 PolarHBondContact O-N 3.17Å; Q1146-T1150 PolarHBondContact O-OG1 3.15Å; E1147-T1150 WeakPolarHBondContact CA-OG1 3.35Å; E1147-T1150 PolarHBondContact O-OG1 3.23Å; V1148-T1150 VanDerWaalsContact C-N 3.26Å; V1148-T1150 PolarHBondContact O-N 3.24Å |
| 1151 | G | 83.9 | Confident | 83.2 | Confident | 14.2 Ų | 14.2 | 35.3 Ų | 35.3 | 15% | 0.146 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -85.8 | -21.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P864 E1147 V1148 | P864-G1151 VanDerWaalsContact CD-O 3.24Å; P864-G1151 WeakPolarHBondContact CD-O 3.32Å; E1147-G1151 WeakPolarHBondContact O-CA 3.37Å; E1147-G1151 PolarHBondContact O-N 3.16Å; E1147-G1151 VanDerWaalsContact O-N 3.13Å; V1148-G1151 PolarHBondContact O-N 2.96Å; V1148-G1151 VanDerWaalsContact O-N 3.17Å |
| 1152 | Y | 88.1 | Confident | 82.8 | Confident | 19.8 Ų | 19.8 | 37.2 Ų | 37.2 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -126.9 | 148 | -175.2 | -61.7 | -84.7 | 0 | 0 | 0 | 112 | I800 G803 P804 R859 L862 F1130 V1148 L1154 | I800-Y1152 PolarHBondContact O-OH 3.36Å; G803-Y1152 VanDerWaalsContact CA-OH 3.3Å; G803-Y1152 WeakPolarHBondContact CA-OH 3.24Å; P804-Y1152 WeakPolarHBondContact CD-OH 3.35Å; P804-Y1152 HydrophobicContact CG-CD2 4.32Å; P804-Y1152 HydrophobicContact CG-CE2 3.7Å; R859-Y1152 HydrophobicContact CB-CE1 4.08Å; R859-Y1152 WeakPolarHBondContact O-CD1 3.37Å; R859-Y1152 VanDerWaalsContact O-CE1 3.3Å; R859-Y1152 WeakPolarHBondContact O-CE1 3.41Å; L862-Y1152 HydrophobicContact CB-CD1 4.25Å; L862-Y1152 CarbonylContact O-C 3.51Å; L862-Y1152 WeakPolarHBondContact O-CA 3.34Å; F1130-Y1152 AromaticContact CE1-CD2 3.99Å; F1130-Y1152 HydrophobicContact CE1-CD2 4.04Å; F1130-Y1152 AromaticContact CE1-CE2 3.83Å; F1130-Y1152 HydrophobicContact CE1-CE2 3.9Å; F1130-Y1152 HydrophobicContact CZ-CD1 4.23Å; F1130-Y1152 AromaticContact CZ-CD2 3.65Å; F1130-Y1152 HydrophobicContact CZ-CD2 3.65Å; F1130-Y1152 HydrophobicContact CZ-CE1 4.4Å; F1130-Y1152 AromaticContact CZ-CE2 3.76Å; F1130-Y1152 HydrophobicContact CZ-CE2 3.84Å; F1130-Y1152 AromaticContact CZ-CG 3.85Å; F1130-Y1152 HydrophobicContact CZ-CG 3.85Å; V1148-Y1152 HydrophobicContact CB-CD2 4.5Å; V1148-Y1152 HydrophobicContact CG1-CD2 3.98Å; V1148-Y1152 HydrophobicContact CG1-CE2 4.43Å; V1148-Y1152 VanDerWaalsContact O-CD2 3.32Å; V1148-Y1152 WeakPolarHBondContact O-CD2 3.43Å; V1148-Y1152 PolarHBondContact O-N 3.11Å; Y1152-L1154 VanDerWaalsContact C-N 3.32Å; Y1152-L1154 PolarHBondContact O-N 2.93Å; Y1152-L1154 VanDerWaalsContact O-N 3.11Å |
| 1153 | Q | 86.2 | Confident | 81.9 | Confident | 83.4 Ų | 83.4 | 39 Ų | 39 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | trans | -81.4 | 79.3 | 172.5 | -65.4 | -176.4 | -16.6 | 0 | 0 | 109.9 | L862 P864 | L862-Q1153 WeakPolarHBondContact CD2-O 3.29Å; L862-Q1153 PolarHBondContact O-N 3.09Å; P864-Q1153 HydrophobicContact CB-CG 4.28Å | ||
| 1154 | L | 85.6 | Confident | 80.7 | Confident | 25.2 Ų | 25.2 | 47.2 Ų | 47.2 | 13% | 0.132 | 25% | 0.245 | C | C | . | . | trans | -68.5 | 144.2 | -179.8 | -60.6 | 177.3 | 0 | 0 | 0 | 111.9 | L862 T1126 F1130 L1144 V1149 Y1152 F1156 | L862-L1154 HydrophobicContact CD1-CD2 4.44Å; T1126-L1154 HydrophobicContact CG2-CD2 3.9Å; F1130-L1154 HydrophobicContact CD2-CD2 4.33Å; F1130-L1154 HydrophobicContact CE2-CD2 3.89Å; L1144-L1154 HydrophobicContact CD1-CD1 3.65Å; L1144-L1154 HydrophobicContact CD1-CD2 4.39Å; V1149-L1154 HydrophobicContact CB-CD1 4.21Å; V1149-L1154 HydrophobicContact CG1-CD1 4.37Å; V1149-L1154 HydrophobicContact CG2-CD1 3.74Å; Y1152-L1154 VanDerWaalsContact C-N 3.32Å; Y1152-L1154 PolarHBondContact O-N 2.93Å; Y1152-L1154 VanDerWaalsContact O-N 3.11Å; L1154-F1156 VanDerWaalsContact C-N 3.31Å; L1154-F1156 PolarHBondContact O-N 3.26Å; L1154-F1156 VanDerWaalsContact O-N 3.14Å | ||
| 1155 | P | 82.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 5% | 0.045 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -75.8 | -9.6 | 179.9 | 31.6 | -34.1 | 0 | 0 | 0 | 113.5 | P961 V1122 D1123 T1126 | P961-P1155 HydrophobicContact CB-CB 4.41Å; P961-P1155 WeakPolarHBondContact CB-O 3.2Å; P961-P1155 VanDerWaalsContact CG-CA 3.4Å; P961-P1155 HydrophobicContact CG-CB 4.2Å; P961-P1155 WeakPolarHBondContact CG-O 3.41Å; V1122-P1155 HydrophobicContact CG1-CB 3.72Å; V1122-P1155 HydrophobicContact CG1-CG 3.86Å; D1123-P1155 VanDerWaalsContact OD1-CB 3.31Å; D1123-P1155 WeakPolarHBondContact OD1-CB 3.32Å; D1123-P1155 VanDerWaalsContact OD1-CG 3.22Å; D1123-P1155 WeakPolarHBondContact OD1-CG 3.3Å; T1126-P1155 HydrophobicContact CG2-CG 4.25Å; T1126-P1155 WeakPolarHBondContact OG1-CD 3.35Å; T1126-P1155 VanDerWaalsContact OG1-CG 3.25Å; T1126-P1155 WeakPolarHBondContact OG1-CG 3.27Å |
| 1156 | F | 82 | Confident | 78.2 | Confident | 9.4 Ų | 9.4 | 54.7 Ų | 54.7 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.4 | -178.1 | 53.2 | -104.7 | 0 | 0 | 0 | 112.7 | L962 L964 L966 D1123 T1126 L1127 I1142 L1144 L1154 C1158 | L962-F1156 WeakPolarHBondContact O-CA 3.41Å; L964-F1156 HydrophobicContact CB-CB 3.92Å; L964-F1156 HydrophobicContact CB-CD2 4.02Å; L964-F1156 HydrophobicContact CB-CG 4.14Å; L964-F1156 HydrophobicContact CD1-CB 3.67Å; L964-F1156 HydrophobicContact CD1-CD1 3.36Å; L964-F1156 HydrophobicContact CD1-CD2 4.35Å; L964-F1156 HydrophobicContact CD1-CE1 4.03Å; L964-F1156 HydrophobicContact CD1-CG 3.55Å; L964-F1156 HydrophobicContact CD2-CD1 4.21Å; L964-F1156 HydrophobicContact CD2-CD2 3.99Å; L964-F1156 HydrophobicContact CD2-CE1 4.21Å; L964-F1156 HydrophobicContact CD2-CE2 3.99Å; L964-F1156 HydrophobicContact CD2-CG 4.12Å; L964-F1156 HydrophobicContact CD2-CZ 4.11Å; L964-F1156 HydrophobicContact CG-CB 4.2Å; L964-F1156 HydrophobicContact CG-CD1 4.32Å; L964-F1156 HydrophobicContact CG-CD2 4.39Å; L964-F1156 HydrophobicContact CG-CG 4.29Å; L966-F1156 HydrophobicContact CD1-CB 4.08Å; L966-F1156 HydrophobicContact CD1-CD1 4.44Å; L966-F1156 HydrophobicContact CD1-CD2 3.47Å; L966-F1156 VanDerWaalsContact CD1-CD2 3.47Å; L966-F1156 HydrophobicContact CD1-CE2 4Å; L966-F1156 HydrophobicContact CD1-CG 3.76Å; D1123-F1156 HydrophobicContact CB-CD1 4.47Å; D1123-F1156 WeakPolarHBondContact OD1-CD1 3.26Å; T1126-F1156 HydrophobicContact CG2-CE1 3.81Å; T1126-F1156 HydrophobicContact CG2-CZ 3.92Å; L1127-F1156 HydrophobicContact CD2-CE1 4.21Å; L1127-F1156 HydrophobicContact CD2-CZ 3.89Å; L1127-F1156 HydrophobicContact CG-CE1 4.28Å; L1127-F1156 HydrophobicContact CG-CZ 4.4Å; I1142-F1156 HydrophobicContact CG2-CE2 4.14Å; I1142-F1156 HydrophobicContact CG2-CZ 4.42Å; L1144-F1156 HydrophobicContact CD1-CE2 4.24Å; L1144-F1156 HydrophobicContact CD1-CZ 4.43Å; L1154-F1156 VanDerWaalsContact C-N 3.31Å; L1154-F1156 PolarHBondContact O-N 3.26Å; L1154-F1156 VanDerWaalsContact O-N 3.14Å; F1156-C1158 HydrophobicContact CD2-CB 4.06Å; F1156-C1158 HydrophobicContact CE2-CB 4.07Å |
| 1157 | I | 79.4 | Confident | 77.1 | Confident | 99.4 Ų | 99.4 | 51.7 Ų | 51.7 | 51% | 0.51 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.5 | 169.9 | -58.9 | 168.3 | 0 | 0 | 0 | 108.1 | P961 L962 P963 L964 L966 | P961-I1157 HydrophobicContact CB-CG1 4.13Å; P961-I1157 HydrophobicContact CG-CD1 4.35Å; P961-I1157 HydrophobicContact CG-CG1 3.78Å; P961-I1157 WeakPolarHBondContact O-CD1 3.28Å; P961-I1157 WeakPolarHBondContact O-CG1 3.34Å; L962-I1157 PolarHBondContact O-N 3.23Å; L962-I1157 VanDerWaalsContact O-N 3.1Å; P963-I1157 HydrophobicContact CB-CB 4.49Å; P963-I1157 HydrophobicContact CB-CD1 3.63Å; P963-I1157 HydrophobicContact CB-CG1 3.67Å; P963-I1157 HydrophobicContact CG-CD1 3.6Å; P963-I1157 HydrophobicContact CG-CG1 4.19Å; L964-I1157 PolarHBondContact N-O 3.45Å; L964-I1157 PolarHBondContact O-N 3.01Å; L966-I1157 WeakPolarHBondContact CD1-O 3.44Å; L966-I1157 PolarHBondContact N-O 3.17Å |
| 1158 | C | 81 | Confident | 75.9 | Confident | 18.8 Ų | 18.8 | 54.4 Ų | 54.4 | 13% | 0.127 | 28% | 0.275 | C | S | . | . | trans | -127.4 | 163 | 172.9 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | L966 I1142 F1156 | L966-C1158 HydrophobicContact CD1-CB 4.29Å; I1142-C1158 HydrophobicContact CG2-CB 4.19Å; I1142-C1158 WeakPolarHBondContact O-CB 3.23Å; F1156-C1158 HydrophobicContact CD2-CB 4.06Å; F1156-C1158 HydrophobicContact CE2-CB 4.07Å | ||
| 1159 | S | 82 | Confident | 74.3 | Confident | 43.4 Ų | 43.4 | 56.6 Ų | 56.6 | 30% | 0.303 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 147.6 | 170.5 | 42.6 | 0 | 0 | 0 | 0 | 110 | S1140 I1142 C1143 L1144 | S1140-S1159 VanDerWaalsContact CB-OG 3.28Å; S1140-S1159 WeakPolarHBondContact CB-OG 3.43Å; S1140-S1159 WeakPolarHBondContact OG-CB 3.39Å; S1140-S1159 PolarHBondContact OG-OG 3.11Å; I1142-S1159 PolarHBondContact O-OG 3.22Å; C1143-S1159 VanDerWaalsContact CA-O 3.27Å; C1143-S1159 WeakPolarHBondContact CA-O 3.36Å; C1143-S1159 WeakPolarHBondContact CA-OG 3.08Å; C1143-S1159 WeakPolarHBondContact CB-OG 3.12Å; C1143-S1159 PolarHBondContact SG-OG 3.1Å; L1144-S1159 PolarHBondContact N-O 3.28Å; L1144-S1159 VanDerWaalsContact N-O 3.16Å |
| 1160 | T | 81.4 | Confident | 72.5 | Confident | 75.8 Ų | 75.8 | 59.6 Ų | 59.6 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142 | 179 | 54.9 | 0 | 0 | 0 | 0 | 111 | L1144 Q1146 V1149 | L1144-T1160 CarbonylContact O-C 3.49Å; L1144-T1160 VanDerWaalsContact O-CA 3.24Å; L1144-T1160 WeakPolarHBondContact O-CA 3.23Å; Q1146-T1160 HydrophobicContact CB-CG2 4.44Å; V1149-T1160 HydrophobicContact CB-CG2 3.97Å; V1149-T1160 HydrophobicContact CG1-CG2 4.14Å; V1149-T1160 HydrophobicContact CG2-CG2 3.62Å |
| 1161 | Y | 80.6 | Confident | 71 | Confident | 42.8 Ų | 42.8 | 61.5 Ų | 61.5 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.4 | 160.3 | 71.8 | -86 | 0 | 0 | 0 | 108.2 | V1133 Q1135 C1143 L1144 P1145 Q1146 F1163 | V1133-Y1161 WeakPolarHBondContact O-CE1 3.29Å; V1133-Y1161 PolarHBondContact O-OH 3.05Å; Q1135-Y1161 HydrophobicContact CB-CD1 4.25Å; Q1135-Y1161 HydrophobicContact CB-CE1 3.91Å; Q1135-Y1161 VanDerWaalsContact CD-CE2 3.45Å; Q1135-Y1161 VanDerWaalsContact CD-CZ 3.41Å; Q1135-Y1161 HydrophobicContact CG-CD1 4.31Å; Q1135-Y1161 HydrophobicContact CG-CE1 3.65Å; Q1135-Y1161 HydrophobicContact CG-CE2 4.38Å; Q1135-Y1161 VanDerWaalsContact NE2-CE2 3.32Å; Q1135-Y1161 PolarHBondContact NE2-OH 2.89Å; C1143-Y1161 HydrophobicContact CB-CD1 3.88Å; C1143-Y1161 HydrophobicContact CB-CE1 4.44Å; C1143-Y1161 VanDerWaalsContact O-CE1 3.29Å; C1143-Y1161 WeakPolarHBondContact O-CE1 3.2Å; L1144-Y1161 VanDerWaalsContact C-CD1 3.49Å; L1144-Y1161 WeakPolarHBondContact O-CD1 3.29Å; L1144-Y1161 PolarHBondContact O-N 3.05Å; L1144-Y1161 VanDerWaalsContact O-N 3.08Å; P1145-Y1161 CarbonylContact C-O 3.48Å; P1145-Y1161 WeakPolarHBondContact CA-O 3.28Å; P1145-Y1161 HydrophobicContact CG-CE1 4.05Å; P1145-Y1161 HydrophobicContact CG-CE2 4.29Å; P1145-Y1161 WeakPolarHBondContact CG-OH 3.43Å; Q1146-Y1161 PolarHBondContact N-O 3.05Å; Y1161-F1163 HydrophobicContact CE2-CD1 4.1Å; Y1161-F1163 AromaticContact CE2-CE1 3.99Å; Y1161-F1163 HydrophobicContact CE2-CE1 4.08Å; Y1161-F1163 HydrophobicContact CE2-CE2 4.31Å; Y1161-F1163 HydrophobicContact CE2-CZ 4.08Å |
| 1162 | S | 70.9 | Confident | 69.4 | Low | 53 Ų | 53 | 62.7 Ų | 62.7 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 145.9 | 173.4 | 38 | 0 | 0 | 0 | 0 | 109.4 | Q1146 R1164 | Q1146-S1162 PolarHBondContact OE1-OG 2.78Å; Q1146-S1162 VanDerWaalsContact OE1-OG 3.05Å; S1162-R1164 VanDerWaalsContact CB-CG 3.5Å; S1162-R1164 PolarHBondContact O-N 3.13Å; S1162-R1164 WeakPolarHBondContact OG-CB 3.1Å; S1162-R1164 WeakPolarHBondContact OG-CD 3.41Å; S1162-R1164 WeakPolarHBondContact OG-CG 3.39Å; S1162-R1164 PolarHBondContact OG-NE 3.4Å |
| 1163 | F | 65.8 | Low | 67.5 | Low | 38.4 Ų | 38.4 | 65.5 Ų | 65.5 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 112.5 | 163.4 | -67.1 | -49 | 0 | 0 | 0 | 109.1 | N742 F743 R796 V1133 P1145 E1147 Y1161 S1165 | N742-F1163 HydrophobicContact CB-CD2 4.34Å; N742-F1163 WeakPolarHBondContact OD1-CD2 3.38Å; F743-F1163 HydrophobicContact CZ-CB 4.32Å; F743-F1163 WeakPolarHBondContact CZ-O 3.31Å; R796-F1163 VanDerWaalsContact NH1-CE2 3.31Å; V1133-F1163 HydrophobicContact CG1-CE2 4.26Å; V1133-F1163 HydrophobicContact CG1-CZ 4.31Å; P1145-F1163 HydrophobicContact CB-CD1 4.13Å; P1145-F1163 HydrophobicContact CB-CD2 4.2Å; P1145-F1163 HydrophobicContact CB-CE1 3.45Å; P1145-F1163 VanDerWaalsContact CB-CE1 3.44Å; P1145-F1163 HydrophobicContact CB-CE2 3.65Å; P1145-F1163 HydrophobicContact CB-CG 4.46Å; P1145-F1163 HydrophobicContact CB-CZ 3.21Å; P1145-F1163 HydrophobicContact CG-CD1 4.31Å; P1145-F1163 HydrophobicContact CG-CD2 4.29Å; P1145-F1163 HydrophobicContact CG-CE1 3.26Å; P1145-F1163 HydrophobicContact CG-CE2 3.95Å; P1145-F1163 VanDerWaalsContact CG-CE2 3.47Å; P1145-F1163 HydrophobicContact CG-CZ 3.32Å; E1147-F1163 HydrophobicContact CB-CD2 4.31Å; E1147-F1163 HydrophobicContact CB-CE2 4.16Å; E1147-F1163 VanDerWaalsContact CD-CD2 3.42Å; E1147-F1163 HydrophobicContact CG-CD2 3.96Å; E1147-F1163 HydrophobicContact CG-CE2 4.32Å; E1147-F1163 PolarHBondContact OE1-N 3.37Å; E1147-F1163 WeakPolarHBondContact OE2-CD2 3.37Å; Y1161-F1163 HydrophobicContact CE2-CD1 4.1Å; Y1161-F1163 AromaticContact CE2-CE1 3.99Å; Y1161-F1163 HydrophobicContact CE2-CE1 4.08Å; Y1161-F1163 HydrophobicContact CE2-CE2 4.31Å; Y1161-F1163 HydrophobicContact CE2-CZ 4.08Å; F1163-S1165 VanDerWaalsContact C-N 3.35Å; F1163-S1165 PolarHBondContact O-N 3.21Å |
| 1164 | R | 59 | Low | 65.9 | Low | 180.4 Ų | 180.4 | 63 Ų | 63 | 68% | 0.681 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 118.3 | 174.4 | -65.1 | -176.8 | -173.5 | -174.6 | -0.3 | 107.5 | S1162 K1166 E1174 | S1162-R1164 VanDerWaalsContact CB-CG 3.5Å; S1162-R1164 PolarHBondContact O-N 3.13Å; S1162-R1164 WeakPolarHBondContact OG-CB 3.1Å; S1162-R1164 WeakPolarHBondContact OG-CD 3.41Å; S1162-R1164 WeakPolarHBondContact OG-CG 3.39Å; S1162-R1164 PolarHBondContact OG-NE 3.4Å; R1164-K1166 PolarHBondContact O-N 3.14Å; R1164-E1174 WeakPolarHBondContact CD-OE1 3.33Å; R1164-E1174 IonicContact CZ-OE1 3.39Å; R1164-E1174 IonicContact CZ-OE2 3.48Å; R1164-E1174 IonicContact NE-OE1 3.76Å; R1164-E1174 IonicContact NE-OE2 3.92Å; R1164-E1174 VanDerWaalsContact NH1-CD 3.29Å; R1164-E1174 IonicContact NH1-OE1 2.58Å; R1164-E1174 PolarHBondContact NH1-OE1 2.94Å; R1164-E1174 IonicContact NH1-OE2 3.25Å; R1164-E1174 PolarHBondContact NH1-OE2 3.27Å; R1164-E1174 IonicContact NH2-OE2 3.95Å |
| 1165 | S | 60.3 | Low | 64.3 | Low | 13.6 Ų | 13.6 | 66.1 Ų | 66.1 | 10% | 0.095 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 130.9 | 162.7 | 165.6 | 0 | 0 | 0 | 0 | 106.6 | E739 F743 F1163 L1167 R1168 | E739-S1165 PolarHBondContact OE1-OG 3.08Å; E739-S1165 WeakPolarHBondContact OE2-CB 3.28Å; E739-S1165 PolarHBondContact OE2-OG 3.14Å; F743-S1165 VanDerWaalsContact CZ-N 3.26Å; F1163-S1165 VanDerWaalsContact C-N 3.35Å; F1163-S1165 PolarHBondContact O-N 3.21Å; S1165-L1167 PolarHBondContact O-N 3.19Å; S1165-L1167 WeakPolarHBondContact OG-CB 3.38Å; S1165-L1167 PolarHBondContact OG-N 3.2Å; S1165-R1168 PolarHBondContact O-N 3.29Å; S1165-R1168 VanDerWaalsContact O-N 3.1Å |
| 1166 | K | 59.4 | Low | 62.8 | Low | 146.4 Ų | 146.4 | 69.8 Ų | 69.8 | 64% | 0.637 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -8.3 | 177.6 | -67.8 | -176.9 | -173.7 | 171.8 | 0 | 112.8 | E735 R1164 R1168 L1175 | E735-K1166 IonicContact OE1-NZ 3.16Å; E735-K1166 PolarHBondContact OE1-NZ 3.22Å; E735-K1166 IonicContact OE2-NZ 3.08Å; E735-K1166 PolarHBondContact OE2-NZ 3.26Å; E735-K1166 VanDerWaalsContact OE2-NZ 3.09Å; R1164-K1166 PolarHBondContact O-N 3.14Å; K1166-R1168 PolarHBondContact O-N 2.93Å; K1166-L1175 WeakPolarHBondContact O-CD1 3.23Å |
| 1167 | L | 59.3 | Low | 61.8 | Low | 29.4 Ų | 29.4 | 70.1 Ų | 70.1 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 11 | 179.7 | -68.6 | 156.8 | 0 | 0 | 0 | 112.8 | L684 L687 R688 S691 S1165 E1174 L1175 N1194 | L684-L1167 HydrophobicContact CD1-CD2 4.23Å; L687-L1167 VanDerWaalsContact C-CD1 3.42Å; L687-L1167 HydrophobicContact CB-CD1 3.45Å; L687-L1167 VanDerWaalsContact CB-CD1 3.45Å; R688-L1167 HydrophobicContact CG-CD1 3.95Å; R688-L1167 HydrophobicContact CG-CD2 4.1Å; S691-L1167 WeakPolarHBondContact OG-CD1 3.26Å; S1165-L1167 PolarHBondContact O-N 3.19Å; S1165-L1167 WeakPolarHBondContact OG-CB 3.38Å; S1165-L1167 PolarHBondContact OG-N 3.2Å; L1167-E1174 CarbonylContact O-C 3.54Å; L1167-E1174 VanDerWaalsContact O-CA 3.24Å; L1167-E1174 WeakPolarHBondContact O-CA 3.43Å; L1167-E1174 WeakPolarHBondContact O-CG 3.39Å; L1167-L1175 HydrophobicContact CB-CD1 4.36Å; L1167-L1175 HydrophobicContact CD2-CD1 4.46Å; L1167-L1175 PolarHBondContact O-N 3.13Å; L1167-N1194 HydrophobicContact CB-CB 4.36Å; L1167-N1194 HydrophobicContact CD1-CB 3.96Å; L1167-N1194 VanDerWaalsContact CD2-C 3.5Å; L1167-N1194 HydrophobicContact CD2-CB 3.09Å; L1167-N1194 HydrophobicContact CG-CB 3.21Å |
| 1168 | R | 54.9 | Low | 61.3 | Low | 86.2 Ų | 86.2 | 72.6 Ų | 72.6 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -112.8 | 138 | 173.4 | -67.2 | -177.9 | 176.8 | -178.9 | 0.7 | 111.3 | S691 S1165 K1166 G1172 N1173 | S691-R1168 VanDerWaalsContact O-CZ 3.26Å; S691-R1168 PolarHBondContact O-NE 3.12Å; S691-R1168 PolarHBondContact O-NH2 3.15Å; S1165-R1168 PolarHBondContact O-N 3.29Å; S1165-R1168 VanDerWaalsContact O-N 3.1Å; K1166-R1168 PolarHBondContact O-N 2.93Å; R1168-G1172 WeakPolarHBondContact CD-O 3.29Å; R1168-N1173 CarbonylContact C-O 3.55Å; R1168-N1173 VanDerWaalsContact CA-O 3.25Å; R1168-N1173 WeakPolarHBondContact CA-O 3.44Å; R1168-N1173 WeakPolarHBondContact CB-O 3.29Å |
| 1169 | D | 51.5 | Low | 61 | Low | 52.6 Ų | 52.6 | 73.1 Ų | 73.1 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | trans | -65.6 | 162 | 167.3 | -89.2 | -23.7 | 0 | 0 | 0 | 110.9 | N1171 G1172 N1173 L1175 V1176 | D1169-N1171 PolarHBondContact O-N 3.15Å; D1169-G1172 PolarHBondContact O-N 2.97Å; D1169-N1173 PolarHBondContact N-O 3.07Å; D1169-L1175 VanDerWaalsContact OD1-CD2 3.29Å; D1169-L1175 WeakPolarHBondContact OD1-CD2 3.35Å; D1169-V1176 WeakPolarHBondContact OD2-CG2 3.47Å; D1169-V1176 PolarHBondContact OD2-N 3.11Å | ||
| 1170 | P | 47.1 | Very low | 60.5 | Low | 111.8 Ų | 111.8 | 74.2 Ų | 74.2 | 73% | 0.726 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.2 | -178.5 | 11.6 | -20.3 | 0 | 0 | 0 | 114.7 | G1172 | P1170-G1172 VanDerWaalsContact C-N 3.32Å; P1170-G1172 PolarHBondContact O-N 3.5Å |
| 1171 | N | 49.9 | Very low | 60.1 | Low | 140.4 Ų | 140.4 | 73.6 Ų | 73.6 | 75% | 0.751 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 4.5 | 176 | -66.6 | -8 | 0 | 0 | 0 | 113.5 | D1169 N1173 | D1169-N1171 PolarHBondContact O-N 3.15Å; N1171-N1173 VanDerWaalsContact C-N 3.29Å; N1171-N1173 PolarHBondContact O-N 3.28Å |
| 1172 | G | 49.6 | Very low | 59.9 | Low | 39.2 Ų | 39.2 | 72.6 Ų | 72.6 | 40% | 0.404 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 82.4 | -3.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R1168 D1169 P1170 | R1168-G1172 WeakPolarHBondContact CD-O 3.29Å; D1169-G1172 PolarHBondContact O-N 2.97Å; P1170-G1172 VanDerWaalsContact C-N 3.32Å; P1170-G1172 PolarHBondContact O-N 3.5Å |
| 1173 | N | 50 | Low | 60.1 | Low | 79.2 Ų | 79.2 | 71.4 Ų | 71.4 | 42% | 0.424 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -74.7 | 145 | 175.5 | -62.1 | -8 | 0 | 0 | 0 | 110 | E693 R1168 D1169 N1171 L1175 | E693-N1173 WeakPolarHBondContact OE1-CA 3.43Å; E693-N1173 WeakPolarHBondContact OE1-CB 3.42Å; R1168-N1173 CarbonylContact C-O 3.55Å; R1168-N1173 VanDerWaalsContact CA-O 3.25Å; R1168-N1173 WeakPolarHBondContact CA-O 3.44Å; R1168-N1173 WeakPolarHBondContact CB-O 3.29Å; D1169-N1173 PolarHBondContact N-O 3.07Å; N1171-N1173 VanDerWaalsContact C-N 3.29Å; N1171-N1173 PolarHBondContact O-N 3.28Å; N1173-L1175 PolarHBondContact O-N 3.11Å |
| 1174 | E | 50.8 | Low | 60.6 | Low | 31.6 Ų | 31.6 | 76.4 Ų | 76.4 | 15% | 0.148 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -59 | 141.3 | 170.5 | -94.3 | -170.6 | 151.4 | 0 | 0 | 109.6 | R688 H692 E693 R1164 L1167 V1176 | R688-E1174 WeakPolarHBondContact CB-OE1 3.39Å; R688-E1174 IonicContact CZ-OE1 3.77Å; R688-E1174 IonicContact NE-OE1 3.38Å; R688-E1174 PolarHBondContact NE-OE1 3.15Å; R688-E1174 VanDerWaalsContact NE-OE1 3.17Å; R688-E1174 IonicContact NE-OE2 3.05Å; R688-E1174 IonicContact NH2-OE1 2.87Å; R688-E1174 IonicContact NH2-OE2 2.8Å; H692-E1174 WeakPolarHBondContact CA-OE1 3.19Å; H692-E1174 IonicContact CD2-OE1 3.97Å; H692-E1174 IonicContact CD2-OE2 3.54Å; E693-E1174 HydrophobicContact CG-CB 4.24Å; E693-E1174 PolarHBondContact OE1-N 3.36Å; R1164-E1174 WeakPolarHBondContact CD-OE1 3.33Å; R1164-E1174 IonicContact CZ-OE1 3.39Å; R1164-E1174 IonicContact CZ-OE2 3.48Å; R1164-E1174 IonicContact NE-OE1 3.76Å; R1164-E1174 IonicContact NE-OE2 3.92Å; R1164-E1174 VanDerWaalsContact NH1-CD 3.29Å; R1164-E1174 IonicContact NH1-OE1 2.58Å; R1164-E1174 PolarHBondContact NH1-OE1 2.94Å; R1164-E1174 IonicContact NH1-OE2 3.25Å; R1164-E1174 PolarHBondContact NH1-OE2 3.27Å; R1164-E1174 IonicContact NH2-OE2 3.95Å; L1167-E1174 CarbonylContact O-C 3.54Å; L1167-E1174 VanDerWaalsContact O-CA 3.24Å; L1167-E1174 WeakPolarHBondContact O-CA 3.43Å; L1167-E1174 WeakPolarHBondContact O-CG 3.39Å; E1174-V1176 WeakPolarHBondContact O-CA 3.37Å; E1174-V1176 PolarHBondContact O-N 3.18Å |
| 1175 | L | 52.6 | Low | 61.4 | Low | 88.8 Ų | 88.8 | 69.3 Ų | 69.3 | 47% | 0.465 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -50.4 | 92.7 | 173.3 | -85 | 162.5 | 0 | 0 | 0 | 109.1 | K1166 L1167 D1169 N1173 G1177 D1192 | K1166-L1175 WeakPolarHBondContact O-CD1 3.23Å; L1167-L1175 HydrophobicContact CB-CD1 4.36Å; L1167-L1175 HydrophobicContact CD2-CD1 4.46Å; L1167-L1175 PolarHBondContact O-N 3.13Å; D1169-L1175 VanDerWaalsContact OD1-CD2 3.29Å; D1169-L1175 WeakPolarHBondContact OD1-CD2 3.35Å; N1173-L1175 PolarHBondContact O-N 3.11Å; L1175-G1177 PolarHBondContact O-N 3.07Å; L1175-G1177 VanDerWaalsContact O-N 3.15Å; L1175-D1192 WeakPolarHBondContact CD1-OD2 3.36Å; L1175-D1192 HydrophobicContact CD2-CB 3.8Å; L1175-D1192 WeakPolarHBondContact CD2-OD2 3.35Å |
| 1176 | V | 52 | Low | 62.1 | Low | 86 Ų | 86 | 69 Ų | 69 | 52% | 0.521 | 36% | 0.361 | S | S | . | . | trans | -30.7 | 96.5 | -164.1 | -175 | 0 | 0 | 0 | 0 | 112 | D1169 E1174 R1178 H1180 | D1169-V1176 WeakPolarHBondContact OD2-CG2 3.47Å; D1169-V1176 PolarHBondContact OD2-N 3.11Å; E1174-V1176 WeakPolarHBondContact O-CA 3.37Å; E1174-V1176 PolarHBondContact O-N 3.18Å; V1176-R1178 PolarHBondContact O-N 3.13Å; V1176-H1180 HydrophobicContact CG1-CB 4.07Å | ||
| 1177 | G | 59.5 | Low | 62.8 | Low | 15.2 Ų | 15.2 | 67.6 Ų | 67.6 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | trans | -50.8 | 129.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | E649 L1175 F1179 H1180 | E649-G1177 WeakPolarHBondContact OE1-CA 3.2Å; E649-G1177 VanDerWaalsContact OE2-CA 3.29Å; E649-G1177 WeakPolarHBondContact OE2-CA 3.32Å; L1175-G1177 PolarHBondContact O-N 3.07Å; L1175-G1177 VanDerWaalsContact O-N 3.15Å; G1177-F1179 PolarHBondContact O-N 2.9Å; G1177-H1180 WeakPolarHBondContact O-CB 3.35Å; G1177-H1180 PolarHBondContact O-N 3.17Å | ||
| 1178 | R | 68.9 | Low | 63.5 | Low | 151.6 Ų | 151.6 | 68.7 Ų | 68.7 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.1 | -32.3 | -173.4 | -161.1 | 179.3 | -178.3 | 164.5 | 3.7 | 112.6 | Q606 V1176 H1180 | Q606-R1178 VanDerWaalsContact OE1-CZ 3.3Å; Q606-R1178 VanDerWaalsContact OE1-NE 3.1Å; V1176-R1178 PolarHBondContact O-N 3.13Å; R1178-H1180 PolarHBondContact O-N 3.47Å |
| 1179 | F | 75.1 | Confident | 64.2 | Low | 29.4 Ų | 29.4 | 71 Ų | 71 | 13% | 0.129 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 21.5 | 177.1 | -60.2 | -61.9 | 0 | 0 | 0 | 112.7 | L603 Q606 L607 S646 I650 E1147 G1177 P1181 L1182 S1183 | L603-F1179 WeakPolarHBondContact O-CE1 3.43Å; Q606-F1179 HydrophobicContact CB-CE1 3.91Å; Q606-F1179 HydrophobicContact CB-CZ 4.25Å; L607-F1179 HydrophobicContact CB-CD1 4.05Å; L607-F1179 HydrophobicContact CB-CE1 3.89Å; L607-F1179 HydrophobicContact CB-CE2 4.44Å; L607-F1179 HydrophobicContact CB-CG 4.42Å; L607-F1179 HydrophobicContact CB-CZ 4.1Å; L607-F1179 HydrophobicContact CD1-CD1 4.48Å; L607-F1179 HydrophobicContact CD1-CD2 3.68Å; L607-F1179 HydrophobicContact CD1-CE2 3.83Å; L607-F1179 HydrophobicContact CD1-CG 4.03Å; L607-F1179 HydrophobicContact CD1-CZ 4.33Å; S646-F1179 WeakPolarHBondContact O-CD2 3.28Å; S646-F1179 VanDerWaalsContact OG-CE2 3.24Å; S646-F1179 WeakPolarHBondContact OG-CE2 3.26Å; I650-F1179 HydrophobicContact CD1-CB 3.73Å; I650-F1179 HydrophobicContact CD1-CG 4.47Å; E1147-F1179 HydrophobicContact CB-CD2 4.27Å; E1147-F1179 HydrophobicContact CB-CE2 4.1Å; E1147-F1179 HydrophobicContact CG-CD2 3.77Å; E1147-F1179 HydrophobicContact CG-CE2 3.74Å; G1177-F1179 PolarHBondContact O-N 2.9Å; F1179-P1181 VanDerWaalsContact C-CD 3.42Å; F1179-P1181 VanDerWaalsContact C-N 3.32Å; F1179-L1182 HydrophobicContact CB-CD1 4.41Å; F1179-L1182 HydrophobicContact CD1-CD1 4.18Å; F1179-L1182 WeakPolarHBondContact O-CA 3.45Å; F1179-L1182 VanDerWaalsContact O-CB 3.25Å; F1179-L1182 WeakPolarHBondContact O-CB 3.43Å; F1179-L1182 PolarHBondContact O-N 3.19Å; F1179-S1183 PolarHBondContact O-N 3.1Å; F1179-S1183 VanDerWaalsContact O-N 3.11Å |
| 1180 | H | 71.2 | Confident | 65.1 | Low | 65.4 Ų | 65.4 | 70.4 Ų | 70.4 | 30% | 0.303 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -54 | -36.3 | 173 | -156.1 | 60.6 | 0 | 0 | 0 | 112.7 | E649 V1176 G1177 R1178 L1182 S1183 K1184 L1185 | E649-H1180 WeakPolarHBondContact OE1-CA 3.21Å; E649-H1180 WeakPolarHBondContact OE1-CB 3.41Å; E649-H1180 IonicContact OE1-CG 3.79Å; E649-H1180 IonicContact OE1-ND1 3.22Å; E649-H1180 PolarHBondContact OE1-ND1 3.46Å; E649-H1180 PolarHBondContact OE2-N 3.42Å; V1176-H1180 HydrophobicContact CG1-CB 4.07Å; G1177-H1180 WeakPolarHBondContact O-CB 3.35Å; G1177-H1180 PolarHBondContact O-N 3.17Å; R1178-H1180 PolarHBondContact O-N 3.47Å; H1180-L1182 VanDerWaalsContact C-N 3.26Å; H1180-L1182 PolarHBondContact O-N 3.07Å; H1180-L1182 VanDerWaalsContact O-N 3.14Å; H1180-S1183 WeakPolarHBondContact CA-OG 3.39Å; H1180-S1183 PolarHBondContact O-N 3.12Å; H1180-S1183 PolarHBondContact O-OG 3.14Å; H1180-K1184 HydrophobicContact CB-CB 4.03Å; H1180-K1184 VanDerWaalsContact O-CB 3.3Å; H1180-K1184 WeakPolarHBondContact O-CB 3.38Å; H1180-K1184 PolarHBondContact O-N 3.17Å; H1180-L1185 HydrophobicContact CB-CD1 4.44Å |
| 1181 | P | 73.6 | Confident | 66 | Low | 64 Ų | 64 | 73.3 Ų | 73.3 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.5 | -30.2 | 173 | -25.9 | 35.1 | 0 | 0 | 0 | 112.1 | L603 F1179 S1183 K1184 L1185 | L603-P1181 HydrophobicContact CD1-CB 4.29Å; L603-P1181 HydrophobicContact CD1-CG 4.37Å; F1179-P1181 VanDerWaalsContact C-CD 3.42Å; F1179-P1181 VanDerWaalsContact C-N 3.32Å; P1181-S1183 WeakPolarHBondContact CB-OG 3.5Å; P1181-S1183 CarbonylContact O-C 3.52Å; P1181-S1183 PolarHBondContact O-N 3.35Å; P1181-K1184 WeakPolarHBondContact O-CA 3.43Å; P1181-K1184 WeakPolarHBondContact O-CB 3.48Å; P1181-K1184 PolarHBondContact O-N 3.13Å; P1181-L1185 VanDerWaalsContact O-CB 3.3Å; P1181-L1185 WeakPolarHBondContact O-CB 3.26Å; P1181-L1185 PolarHBondContact O-N 3.17Å; P1181-L1185 VanDerWaalsContact O-N 3.11Å |
| 1182 | L | 77.1 | Confident | 67.3 | Low | 21.4 Ų | 21.4 | 70.1 Ų | 70.1 | 11% | 0.112 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.5 | -39.8 | 179.7 | -62 | 176.3 | 0 | 0 | 0 | 111.7 | N600 L603 L604 L607 F1179 H1180 L1185 A1186 M1202 F1206 | N600-L1182 HydrophobicContact CB-CD2 4.02Å; L603-L1182 HydrophobicContact CB-CD1 3.86Å; L603-L1182 HydrophobicContact CB-CD2 4.06Å; L603-L1182 HydrophobicContact CB-CG 4.05Å; L604-L1182 HydrophobicContact CD1-CD1 4.46Å; L607-L1182 HydrophobicContact CB-CD1 4.39Å; L607-L1182 HydrophobicContact CD2-CD1 4.16Å; F1179-L1182 HydrophobicContact CB-CD1 4.41Å; F1179-L1182 HydrophobicContact CD1-CD1 4.18Å; F1179-L1182 WeakPolarHBondContact O-CA 3.45Å; F1179-L1182 VanDerWaalsContact O-CB 3.25Å; F1179-L1182 WeakPolarHBondContact O-CB 3.43Å; F1179-L1182 PolarHBondContact O-N 3.19Å; H1180-L1182 VanDerWaalsContact C-N 3.26Å; H1180-L1182 PolarHBondContact O-N 3.07Å; H1180-L1182 VanDerWaalsContact O-N 3.14Å; L1182-L1185 PolarHBondContact O-N 3.03Å; L1182-A1186 VanDerWaalsContact O-CB 3.28Å; L1182-A1186 WeakPolarHBondContact O-CB 3.27Å; L1182-A1186 PolarHBondContact O-N 3.11Å; L1182-M1202 HydrophobicContact CB-CE 3.85Å; L1182-M1202 HydrophobicContact CB-SD 4.47Å; L1182-M1202 HydrophobicContact CD1-CE 4.29Å; L1182-M1202 HydrophobicContact CD2-CE 3.63Å; L1182-M1202 HydrophobicContact CD2-SD 4.07Å; L1182-M1202 HydrophobicContact CG-CE 3.93Å; L1182-F1206 HydrophobicContact CB-CE1 4.3Å; L1182-F1206 HydrophobicContact CB-CZ 3.9Å; L1182-F1206 HydrophobicContact CD1-CE1 4.47Å; L1182-F1206 HydrophobicContact CD1-CZ 3.9Å; L1182-F1206 HydrophobicContact CD2-CE2 3.55Å; L1182-F1206 HydrophobicContact CD2-CZ 3.74Å; L1182-F1206 HydrophobicContact CG-CZ 4.4Å |
| 1183 | S | 75 | Confident | 68.4 | Low | 28.8 Ų | 28.8 | 74.4 Ų | 74.4 | 20% | 0.201 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | E649 F1179 H1180 P1181 L1185 A1186 N1187 | E649-S1183 PolarHBondContact OE1-OG 3.17Å; E649-S1183 VanDerWaalsContact OE1-OG 3.11Å; F1179-S1183 PolarHBondContact O-N 3.1Å; F1179-S1183 VanDerWaalsContact O-N 3.11Å; H1180-S1183 WeakPolarHBondContact CA-OG 3.39Å; H1180-S1183 PolarHBondContact O-N 3.12Å; H1180-S1183 PolarHBondContact O-OG 3.14Å; P1181-S1183 WeakPolarHBondContact CB-OG 3.5Å; P1181-S1183 CarbonylContact O-C 3.52Å; P1181-S1183 PolarHBondContact O-N 3.35Å; S1183-L1185 VanDerWaalsContact C-N 3.33Å; S1183-L1185 PolarHBondContact O-N 3.04Å; S1183-A1186 PolarHBondContact O-N 3.16Å; S1183-N1187 WeakPolarHBondContact O-CB 3.44Å; S1183-N1187 VanDerWaalsContact O-CG 3.29Å; S1183-N1187 PolarHBondContact O-N 2.95Å; S1183-N1187 VanDerWaalsContact O-N 3.12Å; S1183-N1187 PolarHBondContact O-ND2 3.19Å |
| 1184 | K | 75.9 | Confident | 69.6 | Low | 142.8 Ų | 142.8 | 74.5 Ų | 74.5 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 174.3 | -160 | 178.2 | -178.7 | 177.5 | 0 | 112.4 | H1180 P1181 N1187 C1188 | H1180-K1184 HydrophobicContact CB-CB 4.03Å; H1180-K1184 VanDerWaalsContact O-CB 3.3Å; H1180-K1184 WeakPolarHBondContact O-CB 3.38Å; H1180-K1184 PolarHBondContact O-N 3.17Å; P1181-K1184 WeakPolarHBondContact O-CA 3.43Å; P1181-K1184 WeakPolarHBondContact O-CB 3.48Å; P1181-K1184 PolarHBondContact O-N 3.13Å; K1184-N1187 CarbonylContact O-C 3.16Å; K1184-N1187 PolarHBondContact O-N 3.18Å; K1184-C1188 WeakPolarHBondContact O-CA 3.2Å; K1184-C1188 WeakPolarHBondContact O-CB 3.26Å; K1184-C1188 PolarHBondContact O-N 3.26Å; K1184-C1188 VanDerWaalsContact O-N 3.15Å |
| 1185 | L | 75.7 | Confident | 70.8 | Confident | 32.4 Ų | 32.4 | 74.3 Ų | 74.3 | 17% | 0.17 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.6 | -161.2 | 75.8 | 0 | 0 | 0 | 111.7 | N600 H1180 P1181 L1182 S1183 N1187 C1188 L1198 C1199 M1202 | N600-L1185 WeakPolarHBondContact ND2-CD2 3.23Å; H1180-L1185 HydrophobicContact CB-CD1 4.44Å; P1181-L1185 VanDerWaalsContact O-CB 3.3Å; P1181-L1185 WeakPolarHBondContact O-CB 3.26Å; P1181-L1185 PolarHBondContact O-N 3.17Å; P1181-L1185 VanDerWaalsContact O-N 3.11Å; L1182-L1185 PolarHBondContact O-N 3.03Å; S1183-L1185 VanDerWaalsContact C-N 3.33Å; S1183-L1185 PolarHBondContact O-N 3.04Å; L1185-N1187 VanDerWaalsContact C-N 3.26Å; L1185-N1187 PolarHBondContact O-N 2.95Å; L1185-C1188 WeakPolarHBondContact O-CB 3.32Å; L1185-C1188 PolarHBondContact O-N 3.18Å; L1185-L1198 HydrophobicContact CD1-CD2 3.59Å; L1185-L1198 VanDerWaalsContact CD1-CD2 3.41Å; L1185-L1198 HydrophobicContact CD1-CG 4.04Å; L1185-L1198 HydrophobicContact CD2-CD1 4.28Å; L1185-L1198 HydrophobicContact CD2-CD2 3.71Å; L1185-L1198 HydrophobicContact CD2-CG 4.02Å; L1185-L1198 HydrophobicContact CG-CD2 3.89Å; L1185-L1198 HydrophobicContact CG-CG 4.18Å; L1185-C1199 PolarHBondContact O-SG 3.14Å; L1185-M1202 HydrophobicContact CD2-CE 3.89Å |
| 1186 | A | 75.3 | Confident | 72 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.4 | -31.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1182 S1183 M1202 R1203 F1206 | L1182-A1186 VanDerWaalsContact O-CB 3.28Å; L1182-A1186 WeakPolarHBondContact O-CB 3.27Å; L1182-A1186 PolarHBondContact O-N 3.11Å; S1183-A1186 PolarHBondContact O-N 3.16Å; A1186-M1202 HydrophobicContact CB-CB 4.35Å; A1186-M1202 HydrophobicContact CB-CG 4.22Å; A1186-R1203 HydrophobicContact CB-CG 4.19Å; A1186-R1203 VanDerWaalsContact O-CZ 3.31Å; A1186-R1203 PolarHBondContact O-NE 3.21Å; A1186-R1203 PolarHBondContact O-NH2 2.98Å; A1186-F1206 HydrophobicContact CB-CD2 4.37Å; A1186-F1206 HydrophobicContact CB-CE2 3.66Å; A1186-F1206 HydrophobicContact CB-CZ 4.33Å |
| 1187 | N | 74.5 | Confident | 73.2 | Confident | 116.2 Ų | 116.2 | 72.4 Ų | 72.4 | 62% | 0.621 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 5.1 | -179.5 | -67.2 | -23.6 | 0 | 0 | 0 | 114.1 | S1183 K1184 L1185 T1189 Q1259 | S1183-N1187 WeakPolarHBondContact O-CB 3.44Å; S1183-N1187 VanDerWaalsContact O-CG 3.29Å; S1183-N1187 PolarHBondContact O-N 2.95Å; S1183-N1187 VanDerWaalsContact O-N 3.12Å; S1183-N1187 PolarHBondContact O-ND2 3.19Å; K1184-N1187 CarbonylContact O-C 3.16Å; K1184-N1187 PolarHBondContact O-N 3.18Å; L1185-N1187 VanDerWaalsContact C-N 3.26Å; L1185-N1187 PolarHBondContact O-N 2.95Å; N1187-T1189 PolarHBondContact O-N 3.27Å; N1187-Q1259 PolarHBondContact OD1-NE2 2.93Å |
| 1188 | C | 73.7 | Confident | 74.1 | Confident | 52.2 Ų | 52.2 | 73.6 Ų | 73.6 | 35% | 0.353 | 38% | 0.378 | S | S | . | . | trans | -69.3 | 130.8 | -178.7 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | K1184 L1185 T1195 C1199 R1203 | K1184-C1188 WeakPolarHBondContact O-CA 3.2Å; K1184-C1188 WeakPolarHBondContact O-CB 3.26Å; K1184-C1188 PolarHBondContact O-N 3.26Å; K1184-C1188 VanDerWaalsContact O-N 3.15Å; L1185-C1188 WeakPolarHBondContact O-CB 3.32Å; L1185-C1188 PolarHBondContact O-N 3.18Å; C1188-T1195 HydrophobicContact CB-CG2 4.45Å; C1188-C1199 PolarHBondContact O-SG 3.37Å; C1188-R1203 PolarHBondContact O-NH2 3.3Å | ||
| 1189 | T | 70.2 | Confident | 74.7 | Confident | 135.4 Ų | 135.4 | 66.6 Ų | 66.6 | 83% | 0.831 | 35% | 0.352 | S | S | * | . | trans | -111.4 | 34.3 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | N1187 E1191 | N1187-T1189 PolarHBondContact O-N 3.27Å; T1189-E1191 PolarHBondContact O-N 2.94Å | ||
| 1190 | S | 69.5 | Low | 74.9 | Confident | 38.8 Ų | 38.8 | 66.6 Ų | 66.6 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | trans | -68.9 | 149.3 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | D1192 T1195 K1196 | S1190-D1192 VanDerWaalsContact C-N 3.31Å; S1190-D1192 PolarHBondContact O-N 3.45Å; S1190-T1195 WeakPolarHBondContact OG-CB 3.37Å; S1190-T1195 VanDerWaalsContact OG-CG2 3.32Å; S1190-T1195 WeakPolarHBondContact OG-CG2 3.29Å; S1190-T1195 PolarHBondContact OG-OG1 3.36Å; S1190-K1196 WeakPolarHBondContact O-CE 3.2Å | ||
| 1191 | E | 66.2 | Low | 75.2 | Confident | 172.6 Ų | 172.6 | 65.8 Ų | 65.8 | 81% | 0.807 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -75 | -19 | 179.8 | -69.7 | -145.9 | 159.4 | 0 | 0 | 113.6 | T1189 Q1193 K1196 | T1189-E1191 PolarHBondContact O-N 2.94Å; E1191-Q1193 PolarHBondContact O-N 3.02Å; E1191-K1196 WeakPolarHBondContact O-CE 3.27Å; E1191-K1196 PolarHBondContact O-NZ 3.13Å; E1191-K1196 IonicContact OE2-NZ 3.16Å |
| 1192 | D | 76.1 | Confident | 75.3 | Confident | 73.6 Ų | 73.6 | 64.2 Ų | 64.2 | 39% | 0.394 | 34% | 0.341 | S | S | . | . | trans | -63.3 | 127.4 | -176.8 | 178.2 | 35.7 | 0 | 0 | 0 | 112.1 | L1175 S1190 N1194 T1195 K1196 | L1175-D1192 WeakPolarHBondContact CD1-OD2 3.36Å; L1175-D1192 HydrophobicContact CD2-CB 3.8Å; L1175-D1192 WeakPolarHBondContact CD2-OD2 3.35Å; S1190-D1192 VanDerWaalsContact C-N 3.31Å; S1190-D1192 PolarHBondContact O-N 3.45Å; D1192-N1194 VanDerWaalsContact C-N 3.31Å; D1192-N1194 PolarHBondContact O-N 3.06Å; D1192-N1194 PolarHBondContact OD1-N 3.02Å; D1192-T1195 PolarHBondContact O-N 3.06Å; D1192-T1195 VanDerWaalsContact O-N 3.11Å; D1192-T1195 PolarHBondContact OD2-N 3.38Å; D1192-T1195 PolarHBondContact OD2-OG1 3.17Å; D1192-K1196 WeakPolarHBondContact O-CG 3.31Å; D1192-K1196 PolarHBondContact O-N 3.18Å | ||
| 1193 | Q | 73.5 | Confident | 75.3 | Confident | 130.8 Ų | 130.8 | 68.5 Ų | 68.5 | 61% | 0.611 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.7 | -40.4 | -174.7 | -85 | -137.1 | -8.4 | 0 | 0 | 112 | E1191 T1195 K1196 V1197 | E1191-Q1193 PolarHBondContact O-N 3.02Å; Q1193-T1195 VanDerWaalsContact C-N 3.33Å; Q1193-T1195 PolarHBondContact O-N 3.31Å; Q1193-K1196 WeakPolarHBondContact O-CB 3.25Å; Q1193-K1196 PolarHBondContact O-N 2.92Å; Q1193-V1197 VanDerWaalsContact O-CG2 3.28Å; Q1193-V1197 WeakPolarHBondContact O-CG2 3.33Å; Q1193-V1197 PolarHBondContact O-N 3.24Å; Q1193-V1197 VanDerWaalsContact O-N 3.11Å |
| 1194 | N | 75.2 | Confident | 75.5 | Confident | 79.6 Ų | 79.6 | 69.3 Ų | 69.3 | 43% | 0.426 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 179.5 | -73.7 | -28.2 | 0 | 0 | 0 | 111.5 | F564 L1167 D1192 K1196 V1197 L1198 | F564-N1194 HydrophobicContact CE2-CB 4.48Å; F564-N1194 HydrophobicContact CZ-CB 3.91Å; L1167-N1194 HydrophobicContact CB-CB 4.36Å; L1167-N1194 HydrophobicContact CD1-CB 3.96Å; L1167-N1194 VanDerWaalsContact CD2-C 3.5Å; L1167-N1194 HydrophobicContact CD2-CB 3.09Å; L1167-N1194 HydrophobicContact CG-CB 3.21Å; D1192-N1194 VanDerWaalsContact C-N 3.31Å; D1192-N1194 PolarHBondContact O-N 3.06Å; D1192-N1194 PolarHBondContact OD1-N 3.02Å; N1194-K1196 VanDerWaalsContact C-N 3.3Å; N1194-K1196 PolarHBondContact O-N 3.45Å; N1194-V1197 PolarHBondContact O-N 3.23Å; N1194-V1197 VanDerWaalsContact O-N 3.17Å; N1194-L1198 WeakPolarHBondContact O-CB 3.43Å; N1194-L1198 PolarHBondContact O-N 3.2Å |
| 1195 | T | 75.8 | Confident | 75.7 | Confident | 28.6 Ų | 28.6 | 64.7 Ų | 64.7 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.7 | -40 | 175.2 | -51.2 | 0 | 0 | 0 | 0 | 111.2 | C1188 S1190 D1192 Q1193 V1197 L1198 C1199 | C1188-T1195 HydrophobicContact CB-CG2 4.45Å; S1190-T1195 WeakPolarHBondContact OG-CB 3.37Å; S1190-T1195 VanDerWaalsContact OG-CG2 3.32Å; S1190-T1195 WeakPolarHBondContact OG-CG2 3.29Å; S1190-T1195 PolarHBondContact OG-OG1 3.36Å; D1192-T1195 PolarHBondContact O-N 3.06Å; D1192-T1195 VanDerWaalsContact O-N 3.11Å; D1192-T1195 PolarHBondContact OD2-N 3.38Å; D1192-T1195 PolarHBondContact OD2-OG1 3.17Å; Q1193-T1195 VanDerWaalsContact C-N 3.33Å; Q1193-T1195 PolarHBondContact O-N 3.31Å; T1195-V1197 VanDerWaalsContact C-N 3.34Å; T1195-V1197 PolarHBondContact O-N 3.21Å; T1195-L1198 WeakPolarHBondContact O-CB 3.31Å; T1195-L1198 PolarHBondContact O-N 2.95Å; T1195-L1198 VanDerWaalsContact O-N 3.14Å; T1195-C1199 VanDerWaalsContact O-CB 3.24Å; T1195-C1199 WeakPolarHBondContact O-CB 3.44Å; T1195-C1199 PolarHBondContact O-N 3.11Å; T1195-C1199 PolarHBondContact O-SG 3.23Å |
| 1196 | K | 77.3 | Confident | 75.9 | Confident | 98.8 Ų | 98.8 | 64.8 Ų | 64.8 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 173.9 | -73.9 | 173.8 | 177.6 | 164.7 | 0 | 112.5 | S1190 E1191 D1192 Q1193 N1194 L1198 C1199 S1200 | S1190-K1196 WeakPolarHBondContact O-CE 3.2Å; E1191-K1196 WeakPolarHBondContact O-CE 3.27Å; E1191-K1196 PolarHBondContact O-NZ 3.13Å; E1191-K1196 IonicContact OE2-NZ 3.16Å; D1192-K1196 WeakPolarHBondContact O-CG 3.31Å; D1192-K1196 PolarHBondContact O-N 3.18Å; Q1193-K1196 WeakPolarHBondContact O-CB 3.25Å; Q1193-K1196 PolarHBondContact O-N 2.92Å; N1194-K1196 VanDerWaalsContact C-N 3.3Å; N1194-K1196 PolarHBondContact O-N 3.45Å; K1196-L1198 VanDerWaalsContact C-N 3.31Å; K1196-L1198 PolarHBondContact O-N 2.95Å; K1196-C1199 PolarHBondContact O-N 3.03Å; K1196-S1200 VanDerWaalsContact O-CB 3.27Å; K1196-S1200 WeakPolarHBondContact O-CB 3.34Å; K1196-S1200 PolarHBondContact O-N 3.04Å; K1196-S1200 PolarHBondContact O-OG 3.01Å |
| 1197 | V | 78.4 | Confident | 76.3 | Confident | 36.4 Ų | 36.4 | 66.3 Ų | 66.3 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | N492 Q493 F564 Q1193 N1194 T1195 C1199 S1200 L1201 | N492-V1197 HydrophobicContact CB-CG1 3.9Å; Q493-V1197 HydrophobicContact CG-CG2 3.83Å; F564-V1197 HydrophobicContact CD2-CG1 4.26Å; F564-V1197 HydrophobicContact CG-CG1 4.35Å; Q1193-V1197 VanDerWaalsContact O-CG2 3.28Å; Q1193-V1197 WeakPolarHBondContact O-CG2 3.33Å; Q1193-V1197 PolarHBondContact O-N 3.24Å; Q1193-V1197 VanDerWaalsContact O-N 3.11Å; N1194-V1197 PolarHBondContact O-N 3.23Å; N1194-V1197 VanDerWaalsContact O-N 3.17Å; T1195-V1197 VanDerWaalsContact C-N 3.34Å; T1195-V1197 PolarHBondContact O-N 3.21Å; V1197-C1199 PolarHBondContact O-N 3.2Å; V1197-S1200 PolarHBondContact O-N 3.22Å; V1197-S1200 VanDerWaalsContact O-N 3.16Å; V1197-S1200 PolarHBondContact O-OG 3.19Å; V1197-L1201 HydrophobicContact CG1-CD1 4Å; V1197-L1201 HydrophobicContact CG1-CG 4.42Å; V1197-L1201 WeakPolarHBondContact O-CG 3.36Å; V1197-L1201 PolarHBondContact O-N 3.15Å |
| 1198 | L | 78.6 | Confident | 76.7 | Confident | 40.2 Ų | 40.2 | 61.5 Ų | 61.5 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 179.4 | -170.6 | 77.1 | 0 | 0 | 0 | 112.4 | F564 L567 I597 L1185 N1194 T1195 K1196 S1200 L1201 M1202 | F564-L1198 HydrophobicContact CD1-CD1 4.16Å; F564-L1198 HydrophobicContact CE1-CD1 4.13Å; L567-L1198 HydrophobicContact CD1-CD1 3.3Å; L567-L1198 VanDerWaalsContact CD1-CD1 3.41Å; I597-L1198 HydrophobicContact CD1-CD1 4.47Å; I597-L1198 HydrophobicContact CG1-CD1 4.32Å; L1185-L1198 HydrophobicContact CD1-CD2 3.59Å; L1185-L1198 VanDerWaalsContact CD1-CD2 3.41Å; L1185-L1198 HydrophobicContact CD1-CG 4.04Å; L1185-L1198 HydrophobicContact CD2-CD1 4.28Å; L1185-L1198 HydrophobicContact CD2-CD2 3.71Å; L1185-L1198 HydrophobicContact CD2-CG 4.02Å; L1185-L1198 HydrophobicContact CG-CD2 3.89Å; L1185-L1198 HydrophobicContact CG-CG 4.18Å; N1194-L1198 WeakPolarHBondContact O-CB 3.43Å; N1194-L1198 PolarHBondContact O-N 3.2Å; T1195-L1198 WeakPolarHBondContact O-CB 3.31Å; T1195-L1198 PolarHBondContact O-N 2.95Å; T1195-L1198 VanDerWaalsContact O-N 3.14Å; K1196-L1198 VanDerWaalsContact C-N 3.31Å; K1196-L1198 PolarHBondContact O-N 2.95Å; L1198-S1200 VanDerWaalsContact C-N 3.32Å; L1198-S1200 PolarHBondContact O-N 3.11Å; L1198-L1201 PolarHBondContact O-N 3.11Å; L1198-M1202 WeakPolarHBondContact O-CB 3.42Å; L1198-M1202 WeakPolarHBondContact O-CG 3.44Å; L1198-M1202 PolarHBondContact O-N 3.28Å |
| 1199 | C | 80.6 | Confident | 77.1 | Confident | 3.8 Ų | 3.8 | 60.4 Ų | 60.4 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.6 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | L1185 C1188 T1195 K1196 V1197 M1202 R1203 | L1185-C1199 PolarHBondContact O-SG 3.14Å; C1188-C1199 PolarHBondContact O-SG 3.37Å; T1195-C1199 VanDerWaalsContact O-CB 3.24Å; T1195-C1199 WeakPolarHBondContact O-CB 3.44Å; T1195-C1199 PolarHBondContact O-N 3.11Å; T1195-C1199 PolarHBondContact O-SG 3.23Å; K1196-C1199 PolarHBondContact O-N 3.03Å; V1197-C1199 PolarHBondContact O-N 3.2Å; C1199-M1202 PolarHBondContact O-N 3.28Å; C1199-R1203 VanDerWaalsContact O-CB 3.31Å; C1199-R1203 WeakPolarHBondContact O-CB 3.45Å; C1199-R1203 WeakPolarHBondContact O-CG 3.41Å; C1199-R1203 PolarHBondContact O-N 3.02Å; C1199-R1203 VanDerWaalsContact O-N 3.09Å; C1199-R1203 PolarHBondContact O-NE 3.45Å |
| 1200 | S | 79.8 | Confident | 77.7 | Confident | 29.4 Ų | 29.4 | 55.5 Ų | 55.5 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 178 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | N492 K1196 V1197 L1198 M1202 R1203 R1204 | N492-S1200 PolarHBondContact O-OG 3.24Å; N492-S1200 VanDerWaalsContact O-OG 3.07Å; K1196-S1200 VanDerWaalsContact O-CB 3.27Å; K1196-S1200 WeakPolarHBondContact O-CB 3.34Å; K1196-S1200 PolarHBondContact O-N 3.04Å; K1196-S1200 PolarHBondContact O-OG 3.01Å; V1197-S1200 PolarHBondContact O-N 3.22Å; V1197-S1200 VanDerWaalsContact O-N 3.16Å; V1197-S1200 PolarHBondContact O-OG 3.19Å; L1198-S1200 VanDerWaalsContact C-N 3.32Å; L1198-S1200 PolarHBondContact O-N 3.11Å; S1200-M1202 VanDerWaalsContact C-N 3.33Å; S1200-R1203 PolarHBondContact O-N 3.08Å; S1200-R1204 VanDerWaalsContact O-CB 3.28Å; S1200-R1204 WeakPolarHBondContact O-CB 3.33Å; S1200-R1204 PolarHBondContact O-N 3.05Å |
| 1201 | L | 76.6 | Confident | 78.3 | Confident | 49.6 Ų | 49.6 | 54 Ų | 54 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.3 | -73.9 | 171.3 | 0 | 0 | 0 | 110.9 | N492 F564 D568 V1197 L1198 R1203 R1204 N1205 | N492-L1201 VanDerWaalsContact OD1-CD2 3.25Å; N492-L1201 WeakPolarHBondContact OD1-CD2 3.49Å; F564-L1201 HydrophobicContact CB-CD1 4.09Å; D568-L1201 HydrophobicContact CB-CD2 3.67Å; V1197-L1201 HydrophobicContact CG1-CD1 4Å; V1197-L1201 HydrophobicContact CG1-CG 4.42Å; V1197-L1201 WeakPolarHBondContact O-CG 3.36Å; V1197-L1201 PolarHBondContact O-N 3.15Å; L1198-L1201 PolarHBondContact O-N 3.11Å; L1201-R1203 PolarHBondContact O-N 3.04Å; L1201-R1204 PolarHBondContact O-N 3.36Å; L1201-N1205 WeakPolarHBondContact O-CB 3.29Å; L1201-N1205 VanDerWaalsContact O-CG 3.25Å; L1201-N1205 PolarHBondContact O-N 3.14Å; L1201-N1205 PolarHBondContact O-ND2 3.18Å; L1201-N1205 PolarHBondContact O-OD1 3.41Å |
| 1202 | M | 76.5 | Confident | 79.2 | Confident | 30.8 Ų | 30.8 | 47 Ų | 47 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.9 | -129.4 | 16.1 | 126.5 | 0 | 0 | 111.5 | L567 N600 L604 L1182 L1185 A1186 L1198 C1199 S1200 R1204 N1205 F1206 | L567-M1202 HydrophobicContact CD1-CE 4.45Å; L567-M1202 HydrophobicContact CD2-CE 4.45Å; N600-M1202 HydrophobicContact CB-CE 4.39Å; L604-M1202 HydrophobicContact CD1-SD 3.89Å; L1182-M1202 HydrophobicContact CB-CE 3.85Å; L1182-M1202 HydrophobicContact CB-SD 4.47Å; L1182-M1202 HydrophobicContact CD1-CE 4.29Å; L1182-M1202 HydrophobicContact CD2-CE 3.63Å; L1182-M1202 HydrophobicContact CD2-SD 4.07Å; L1182-M1202 HydrophobicContact CG-CE 3.93Å; L1185-M1202 HydrophobicContact CD2-CE 3.89Å; A1186-M1202 HydrophobicContact CB-CB 4.35Å; A1186-M1202 HydrophobicContact CB-CG 4.22Å; L1198-M1202 WeakPolarHBondContact O-CB 3.42Å; L1198-M1202 WeakPolarHBondContact O-CG 3.44Å; L1198-M1202 PolarHBondContact O-N 3.28Å; C1199-M1202 PolarHBondContact O-N 3.28Å; S1200-M1202 VanDerWaalsContact C-N 3.33Å; M1202-R1204 VanDerWaalsContact C-N 3.32Å; M1202-R1204 PolarHBondContact O-N 2.97Å; M1202-N1205 PolarHBondContact O-N 3.09Å; M1202-F1206 HydrophobicContact CG-CE1 4.09Å; M1202-F1206 HydrophobicContact CG-CE2 4.36Å; M1202-F1206 HydrophobicContact CG-CZ 3.97Å; M1202-F1206 VanDerWaalsContact O-CD2 3.31Å; M1202-F1206 WeakPolarHBondContact O-CD2 3.42Å; M1202-F1206 WeakPolarHBondContact O-CG 3.43Å; M1202-F1206 PolarHBondContact O-N 3.2Å; M1202-F1206 VanDerWaalsContact O-N 3.11Å; M1202-F1206 HydrophobicContact SD-CE1 4.07Å; M1202-F1206 HydrophobicContact SD-CE2 4.29Å; M1202-F1206 HydrophobicContact SD-CZ 4.36Å |
| 1203 | R | 77.7 | Confident | 79.5 | Confident | 109.8 Ų | 109.8 | 44.1 Ų | 44.1 | 41% | 0.414 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 175 | -73.1 | 179.3 | -131.3 | -175.5 | 6 | 111.6 | A1186 C1188 C1199 S1200 L1201 N1205 F1206 K1207 | A1186-R1203 HydrophobicContact CB-CG 4.19Å; A1186-R1203 VanDerWaalsContact O-CZ 3.31Å; A1186-R1203 PolarHBondContact O-NE 3.21Å; A1186-R1203 PolarHBondContact O-NH2 2.98Å; C1188-R1203 PolarHBondContact O-NH2 3.3Å; C1199-R1203 VanDerWaalsContact O-CB 3.31Å; C1199-R1203 WeakPolarHBondContact O-CB 3.45Å; C1199-R1203 WeakPolarHBondContact O-CG 3.41Å; C1199-R1203 PolarHBondContact O-N 3.02Å; C1199-R1203 VanDerWaalsContact O-N 3.09Å; C1199-R1203 PolarHBondContact O-NE 3.45Å; S1200-R1203 PolarHBondContact O-N 3.08Å; L1201-R1203 PolarHBondContact O-N 3.04Å; R1203-N1205 VanDerWaalsContact C-N 3.35Å; R1203-F1206 PolarHBondContact O-N 3.18Å; R1203-K1207 VanDerWaalsContact O-CG 3.25Å; R1203-K1207 WeakPolarHBondContact O-CG 3.27Å; R1203-K1207 PolarHBondContact O-N 3.23Å; R1203-K1207 VanDerWaalsContact O-N 3.11Å |
| 1204 | R | 79 | Confident | 79.9 | Confident | 46.4 Ų | 46.4 | 38 Ų | 38 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.9 | -175.7 | 180 | -68.3 | 152.4 | -0.1 | 111.9 | N492 D568 S1200 L1201 M1202 F1206 K1207 F1208 D1266 L1269 | N492-R1204 PolarHBondContact OD1-NH1 3.35Å; N492-R1204 PolarHBondContact OD1-NH2 3.31Å; D568-R1204 IonicContact OD1-NH1 2.81Å; D568-R1204 PolarHBondContact OD1-NH1 3.01Å; D568-R1204 VanDerWaalsContact OD1-NH1 3.15Å; S1200-R1204 VanDerWaalsContact O-CB 3.28Å; S1200-R1204 WeakPolarHBondContact O-CB 3.33Å; S1200-R1204 PolarHBondContact O-N 3.05Å; L1201-R1204 PolarHBondContact O-N 3.36Å; M1202-R1204 VanDerWaalsContact C-N 3.32Å; M1202-R1204 PolarHBondContact O-N 2.97Å; R1204-F1206 VanDerWaalsContact C-N 3.34Å; R1204-F1206 PolarHBondContact O-N 3.22Å; R1204-K1207 WeakPolarHBondContact O-CB 3.39Å; R1204-K1207 PolarHBondContact O-N 3.19Å; R1204-K1207 VanDerWaalsContact O-N 3.16Å; R1204-F1208 HydrophobicContact CG-CD2 3.97Å; R1204-F1208 HydrophobicContact CG-CE1 4.39Å; R1204-F1208 HydrophobicContact CG-CE2 3.48Å; R1204-F1208 VanDerWaalsContact CG-CE2 3.46Å; R1204-F1208 HydrophobicContact CG-CZ 3.85Å; R1204-F1208 VanDerWaalsContact O-CD2 3.29Å; R1204-F1208 WeakPolarHBondContact O-CD2 3.33Å; R1204-F1208 WeakPolarHBondContact O-CG 3.49Å; R1204-F1208 PolarHBondContact O-N 3.06Å; R1204-D1266 IonicContact CZ-OD1 3.55Å; R1204-D1266 VanDerWaalsContact CZ-OD1 3.23Å; R1204-D1266 IonicContact NE-OD1 3.21Å; R1204-D1266 PolarHBondContact NE-OD1 2.98Å; R1204-D1266 IonicContact NH2-OD1 3.07Å; R1204-D1266 PolarHBondContact NH2-OD1 3.14Å; R1204-D1266 VanDerWaalsContact NH2-OD1 3.08Å; R1204-L1269 VanDerWaalsContact CZ-CD1 3.49Å |
| 1205 | N | 80.4 | Confident | 80.2 | Confident | 45.8 Ų | 45.8 | 34.8 Ų | 34.8 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 176.4 | -76.9 | -30.7 | 0 | 0 | 0 | 112 | L567 L571 L604 L1201 M1202 R1203 K1207 F1208 I1209 | L567-N1205 PolarHBondContact O-ND2 2.92Å; L571-N1205 HydrophobicContact CD1-CB 3.67Å; L571-N1205 VanDerWaalsContact CD1-OD1 3.28Å; L571-N1205 WeakPolarHBondContact CD1-OD1 3.44Å; L604-N1205 HydrophobicContact CD1-CB 4.05Å; L604-N1205 HydrophobicContact CD2-CB 3.98Å; L604-N1205 WeakPolarHBondContact CD2-ND2 3.41Å; L1201-N1205 WeakPolarHBondContact O-CB 3.29Å; L1201-N1205 VanDerWaalsContact O-CG 3.25Å; L1201-N1205 PolarHBondContact O-N 3.14Å; L1201-N1205 PolarHBondContact O-ND2 3.18Å; L1201-N1205 PolarHBondContact O-OD1 3.41Å; M1202-N1205 PolarHBondContact O-N 3.09Å; R1203-N1205 VanDerWaalsContact C-N 3.35Å; N1205-K1207 VanDerWaalsContact C-N 3.32Å; N1205-K1207 PolarHBondContact O-N 3.2Å; N1205-F1208 PolarHBondContact O-N 3.15Å; N1205-I1209 HydrophobicContact CB-CD1 4.47Å; N1205-I1209 WeakPolarHBondContact O-CB 3.22Å; N1205-I1209 WeakPolarHBondContact O-CD1 3.35Å; N1205-I1209 VanDerWaalsContact O-CG1 3.25Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.3Å; N1205-I1209 PolarHBondContact O-N 3.05Å |
| 1206 | F | 79.8 | Confident | 80.4 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.4 | -75.3 | -32 | 0 | 0 | 0 | 112.2 | L604 L607 I650 L1182 A1186 M1202 R1203 R1204 F1208 I1209 W1210 F1260 | L604-F1206 HydrophobicContact CD1-CD1 4.37Å; L604-F1206 HydrophobicContact CD1-CE1 4.24Å; L607-F1206 HydrophobicContact CD2-CD1 3.81Å; L607-F1206 HydrophobicContact CD2-CE1 3.52Å; L607-F1206 VanDerWaalsContact CD2-CE1 3.49Å; L607-F1206 HydrophobicContact CD2-CZ 4.39Å; I650-F1206 HydrophobicContact CD1-CE1 4.15Å; I650-F1206 HydrophobicContact CD1-CE2 4.41Å; I650-F1206 HydrophobicContact CD1-CZ 3.86Å; I650-F1206 HydrophobicContact CG2-CD2 4.12Å; I650-F1206 HydrophobicContact CG2-CE2 4.22Å; I650-F1206 HydrophobicContact CG2-CG 4.35Å; I650-F1206 HydrophobicContact CG2-CZ 4.5Å; L1182-F1206 HydrophobicContact CB-CE1 4.3Å; L1182-F1206 HydrophobicContact CB-CZ 3.9Å; L1182-F1206 HydrophobicContact CD1-CE1 4.47Å; L1182-F1206 HydrophobicContact CD1-CZ 3.9Å; L1182-F1206 HydrophobicContact CD2-CE2 3.55Å; L1182-F1206 HydrophobicContact CD2-CZ 3.74Å; L1182-F1206 HydrophobicContact CG-CZ 4.4Å; A1186-F1206 HydrophobicContact CB-CD2 4.37Å; A1186-F1206 HydrophobicContact CB-CE2 3.66Å; A1186-F1206 HydrophobicContact CB-CZ 4.33Å; M1202-F1206 HydrophobicContact CG-CE1 4.09Å; M1202-F1206 HydrophobicContact CG-CE2 4.36Å; M1202-F1206 HydrophobicContact CG-CZ 3.97Å; M1202-F1206 VanDerWaalsContact O-CD2 3.31Å; M1202-F1206 WeakPolarHBondContact O-CD2 3.42Å; M1202-F1206 WeakPolarHBondContact O-CG 3.43Å; M1202-F1206 PolarHBondContact O-N 3.2Å; M1202-F1206 VanDerWaalsContact O-N 3.11Å; M1202-F1206 HydrophobicContact SD-CE1 4.07Å; M1202-F1206 HydrophobicContact SD-CE2 4.29Å; M1202-F1206 HydrophobicContact SD-CZ 4.36Å; R1203-F1206 PolarHBondContact O-N 3.18Å; R1204-F1206 VanDerWaalsContact C-N 3.34Å; R1204-F1206 PolarHBondContact O-N 3.22Å; F1206-F1208 VanDerWaalsContact C-N 3.31Å; F1206-F1208 PolarHBondContact O-N 2.93Å; F1206-I1209 PolarHBondContact O-N 3.25Å; F1206-W1210 VanDerWaalsContact O-CB 3.29Å; F1206-W1210 WeakPolarHBondContact O-CB 3.43Å; F1206-W1210 PolarHBondContact O-N 3.21Å; F1206-F1260 HydrophobicContact CB-CD1 4.38Å; F1206-F1260 HydrophobicContact CB-CE1 4.06Å; F1206-F1260 HydrophobicContact CG-CE1 4.44Å |
| 1207 | K | 82.6 | Confident | 80.5 | Confident | 37.8 Ų | 37.8 | 34.2 Ų | 34.2 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.6 | -64.7 | 172.9 | 174.4 | -154.5 | 0 | 112.1 | R1203 R1204 N1205 W1210 A1211 Q1259 S1261 L1262 D1266 | R1203-K1207 VanDerWaalsContact O-CG 3.25Å; R1203-K1207 WeakPolarHBondContact O-CG 3.27Å; R1203-K1207 PolarHBondContact O-N 3.23Å; R1203-K1207 VanDerWaalsContact O-N 3.11Å; R1204-K1207 WeakPolarHBondContact O-CB 3.39Å; R1204-K1207 PolarHBondContact O-N 3.19Å; R1204-K1207 VanDerWaalsContact O-N 3.16Å; N1205-K1207 VanDerWaalsContact C-N 3.32Å; N1205-K1207 PolarHBondContact O-N 3.2Å; K1207-W1210 PolarHBondContact O-N 3.41Å; K1207-A1211 VanDerWaalsContact O-CB 3.3Å; K1207-A1211 WeakPolarHBondContact O-CB 3.36Å; K1207-A1211 PolarHBondContact O-N 3.2Å; K1207-Q1259 WeakPolarHBondContact CE-O 3.29Å; K1207-Q1259 WeakPolarHBondContact CG-O 3.43Å; K1207-S1261 WeakPolarHBondContact CD-O 3.29Å; K1207-S1261 VanDerWaalsContact CE-O 3.3Å; K1207-S1261 WeakPolarHBondContact CE-O 3.4Å; K1207-S1261 PolarHBondContact NZ-O 3.09Å; K1207-L1262 HydrophobicContact CB-CD2 3.56Å; K1207-L1262 VanDerWaalsContact CB-CD2 3.49Å; K1207-L1262 HydrophobicContact CB-CG 4.27Å; K1207-L1262 HydrophobicContact CD-CD2 4.4Å; K1207-D1266 IonicContact NZ-OD2 3.95Å; K1207-D1266 PolarHBondContact NZ-OD2 2.93Å; K1207-D1266 VanDerWaalsContact NZ-OD2 3.11Å |
| 1208 | F | 83.4 | Confident | 80.7 | Confident | 16.6 Ų | 16.6 | 34.8 Ų | 34.8 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -49 | 177.7 | -72.7 | -34.2 | 0 | 0 | 0 | 112.2 | L571 R1204 N1205 F1206 W1210 A1211 F1212 L1262 D1266 L1270 | L571-F1208 HydrophobicContact CD1-CB 3.6Å; L571-F1208 HydrophobicContact CD1-CD2 4.11Å; L571-F1208 HydrophobicContact CD1-CG 4.4Å; R1204-F1208 HydrophobicContact CG-CD2 3.97Å; R1204-F1208 HydrophobicContact CG-CE1 4.39Å; R1204-F1208 HydrophobicContact CG-CE2 3.48Å; R1204-F1208 VanDerWaalsContact CG-CE2 3.46Å; R1204-F1208 HydrophobicContact CG-CZ 3.85Å; R1204-F1208 VanDerWaalsContact O-CD2 3.29Å; R1204-F1208 WeakPolarHBondContact O-CD2 3.33Å; R1204-F1208 WeakPolarHBondContact O-CG 3.49Å; R1204-F1208 PolarHBondContact O-N 3.06Å; N1205-F1208 PolarHBondContact O-N 3.15Å; F1206-F1208 VanDerWaalsContact C-N 3.31Å; F1206-F1208 PolarHBondContact O-N 2.93Å; F1208-W1210 VanDerWaalsContact C-N 3.29Å; F1208-W1210 PolarHBondContact O-N 3.23Å; F1208-A1211 PolarHBondContact O-N 3.07Å; F1208-A1211 VanDerWaalsContact O-N 3.16Å; F1208-F1212 HydrophobicContact CB-CE1 4.33Å; F1208-F1212 HydrophobicContact CB-CE2 3.92Å; F1208-F1212 HydrophobicContact CB-CZ 3.73Å; F1208-F1212 HydrophobicContact CD1-CE1 4.41Å; F1208-F1212 AromaticContact CD1-CZ 3.99Å; F1208-F1212 HydrophobicContact CD1-CZ 4.27Å; F1208-F1212 HydrophobicContact CG-CZ 4.15Å; F1208-F1212 WeakPolarHBondContact O-CB 3.41Å; F1208-F1212 VanDerWaalsContact O-CD1 3.29Å; F1208-F1212 WeakPolarHBondContact O-CD1 3.34Å; F1208-F1212 VanDerWaalsContact O-CD2 3.31Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.44Å; F1208-F1212 WeakPolarHBondContact O-CG 3.41Å; F1208-F1212 PolarHBondContact O-N 3.14Å; F1208-L1262 HydrophobicContact CD1-CD1 4.19Å; F1208-L1262 HydrophobicContact CD1-CD2 3.52Å; F1208-L1262 VanDerWaalsContact CD1-CD2 3.44Å; F1208-L1262 HydrophobicContact CD1-CG 4.44Å; F1208-L1262 HydrophobicContact CE1-CD1 4.38Å; F1208-L1262 HydrophobicContact CE1-CD2 3.67Å; F1208-L1262 HydrophobicContact CG-CD2 4.34Å; F1208-L1262 HydrophobicContact CZ-CD2 4.34Å; F1208-D1266 HydrophobicContact CE1-CB 4.09Å; F1208-D1266 VanDerWaalsContact CE1-O 3.32Å; F1208-D1266 WeakPolarHBondContact CE1-O 3.29Å; F1208-D1266 HydrophobicContact CZ-CB 4.19Å; F1208-D1266 VanDerWaalsContact CZ-O 3.26Å; F1208-D1266 WeakPolarHBondContact CZ-O 3.42Å; F1208-L1270 HydrophobicContact CD1-CD1 4.33Å; F1208-L1270 HydrophobicContact CD1-CD2 4.18Å; F1208-L1270 HydrophobicContact CE1-CB 3.91Å; F1208-L1270 HydrophobicContact CE1-CD1 4.25Å; F1208-L1270 HydrophobicContact CE1-CD2 4.22Å; F1208-L1270 HydrophobicContact CE1-CG 4.34Å; F1208-L1270 HydrophobicContact CE2-CB 4.48Å; F1208-L1270 HydrophobicContact CE2-CD1 4.42Å; F1208-L1270 HydrophobicContact CZ-CB 4.09Å; F1208-L1270 HydrophobicContact CZ-CD1 4.46Å |
| 1209 | I | 81.7 | Confident | 80.8 | Confident | 28.6 Ų | 28.6 | 36 Ų | 36 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 178.7 | -67.6 | 165.9 | 0 | 0 | 0 | 110.4 | L571 L604 L607 Q608 I611 N1205 F1206 A1211 F1212 A1213 | L571-I1209 HydrophobicContact CD1-CD1 4.4Å; L571-I1209 HydrophobicContact CD1-CG1 3.84Å; L571-I1209 HydrophobicContact CD2-CD1 3.94Å; L571-I1209 HydrophobicContact CD2-CG1 3.59Å; L571-I1209 HydrophobicContact CG-CG1 4.4Å; L604-I1209 HydrophobicContact CD1-CD1 3.49Å; L604-I1209 VanDerWaalsContact CD1-CD1 3.47Å; L604-I1209 HydrophobicContact CD2-CD1 4.4Å; L604-I1209 HydrophobicContact CG-CD1 3.8Å; L607-I1209 HydrophobicContact CD2-CD1 4.49Å; Q608-I1209 HydrophobicContact CB-CD1 4.28Å; Q608-I1209 HydrophobicContact CB-CG1 4.27Å; Q608-I1209 HydrophobicContact CB-CG2 3.97Å; Q608-I1209 HydrophobicContact CG-CG1 4.46Å; Q608-I1209 HydrophobicContact CG-CG2 4.13Å; I611-I1209 HydrophobicContact CB-CG2 4.15Å; I611-I1209 HydrophobicContact CD1-CG2 3.67Å; I611-I1209 HydrophobicContact CG1-CG2 4.32Å; I611-I1209 HydrophobicContact CG2-CG2 4.35Å; N1205-I1209 HydrophobicContact CB-CD1 4.47Å; N1205-I1209 WeakPolarHBondContact O-CB 3.22Å; N1205-I1209 WeakPolarHBondContact O-CD1 3.35Å; N1205-I1209 VanDerWaalsContact O-CG1 3.25Å; N1205-I1209 WeakPolarHBondContact O-CG1 3.3Å; N1205-I1209 PolarHBondContact O-N 3.05Å; F1206-I1209 PolarHBondContact O-N 3.25Å; I1209-A1211 PolarHBondContact O-N 3.26Å; I1209-F1212 PolarHBondContact O-N 3.12Å; I1209-A1213 VanDerWaalsContact O-CB 3.31Å; I1209-A1213 WeakPolarHBondContact O-CB 3.42Å; I1209-A1213 PolarHBondContact O-N 3.16Å |
| 1210 | W | 82.4 | Confident | 80.9 | Confident | 31.8 Ų | 31.8 | 39.1 Ų | 39.1 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 176.3 | -178.5 | -109.1 | 0 | 0 | 0 | 112 | I611 L614 I615 I651 F1206 K1207 F1208 F1212 A1213 C1214 F1260 | I611-W1210 HydrophobicContact CG2-CE3 4.1Å; I611-W1210 HydrophobicContact CG2-CZ3 4.38Å; L614-W1210 HydrophobicContact CD2-CZ3 4.48Å; I615-W1210 HydrophobicContact CD1-CZ3 4.44Å; I651-W1210 HydrophobicContact CD1-CE3 4.01Å; I651-W1210 HydrophobicContact CD1-CZ3 3.79Å; I651-W1210 HydrophobicContact CG1-CE3 4.21Å; I651-W1210 HydrophobicContact CG1-CZ3 4.15Å; I651-W1210 HydrophobicContact CG2-CE3 4.33Å; I651-W1210 HydrophobicContact CG2-CH2 3.97Å; I651-W1210 HydrophobicContact CG2-CZ3 3.62Å; F1206-W1210 VanDerWaalsContact O-CB 3.29Å; F1206-W1210 WeakPolarHBondContact O-CB 3.43Å; F1206-W1210 PolarHBondContact O-N 3.21Å; K1207-W1210 PolarHBondContact O-N 3.41Å; F1208-W1210 VanDerWaalsContact C-N 3.29Å; F1208-W1210 PolarHBondContact O-N 3.23Å; W1210-F1212 VanDerWaalsContact C-N 3.35Å; W1210-F1212 PolarHBondContact O-N 2.93Å; W1210-A1213 WeakPolarHBondContact O-CB 3.38Å; W1210-A1213 PolarHBondContact O-N 3.23Å; W1210-A1213 VanDerWaalsContact O-N 3.16Å; W1210-C1214 VanDerWaalsContact CE2-SG 3.59Å; W1210-C1214 WeakPolarHBondContact O-CB 3.38Å; W1210-C1214 PolarHBondContact O-N 3.1Å; W1210-C1214 PolarHBondContact O-SG 3.09Å; W1210-C1214 VanDerWaalsContact O-SG 3.34Å; W1210-F1260 HydrophobicContact CB-CB 4.3Å; W1210-F1260 HydrophobicContact CB-CD1 3.76Å; W1210-F1260 HydrophobicContact CB-CE1 4.38Å; W1210-F1260 HydrophobicContact CB-CG 4.25Å; W1210-F1260 VanDerWaalsContact CD1-CB 3.46Å; W1210-F1260 HydrophobicContact CD2-CG 4.44Å; W1210-F1260 HydrophobicContact CG-CB 3.89Å; W1210-F1260 AromaticContact CG-CD1 3.91Å; W1210-F1260 HydrophobicContact CG-CD1 4.02Å; W1210-F1260 AromaticContact CG-CG 3.93Å; W1210-F1260 HydrophobicContact CG-CG 4.01Å |
| 1211 | A | 83.1 | Confident | 81.2 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | K1207 F1208 I1209 A1213 C1214 H1215 F1221 L1262 | K1207-A1211 VanDerWaalsContact O-CB 3.3Å; K1207-A1211 WeakPolarHBondContact O-CB 3.36Å; K1207-A1211 PolarHBondContact O-N 3.2Å; F1208-A1211 PolarHBondContact O-N 3.07Å; F1208-A1211 VanDerWaalsContact O-N 3.16Å; I1209-A1211 PolarHBondContact O-N 3.26Å; A1211-A1213 VanDerWaalsContact C-N 3.33Å; A1211-A1213 PolarHBondContact O-N 3.09Å; A1211-C1214 PolarHBondContact O-N 3.25Å; A1211-H1215 PolarHBondContact O-CD2 3.38Å; A1211-H1215 PolarHBondContact O-N 3.25Å; A1211-H1215 VanDerWaalsContact O-N 3.1Å; A1211-H1215 PolarHBondContact O-ND1 3.17Å; A1211-F1221 HydrophobicContact CB-CD2 4.13Å; A1211-F1221 HydrophobicContact CB-CE2 3.89Å; A1211-F1221 HydrophobicContact CB-CZ 4.36Å; A1211-L1262 HydrophobicContact CB-CD1 3.56Å; A1211-L1262 VanDerWaalsContact CB-CD1 3.44Å; A1211-L1262 HydrophobicContact CB-CG 4.32Å |
| 1212 | F | 85.2 | Confident | 81.6 | Confident | 25.2 Ų | 25.2 | 36.1 Ų | 36.1 | 11% | 0.111 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 178.9 | -57.9 | -15.8 | 0 | 0 | 0 | 111.4 | L571 F612 F1208 I1209 W1210 C1214 H1215 K1216 G1217 L1218 F1221 L1270 | L571-F1212 HydrophobicContact CB-CE2 3.98Å; F612-F1212 HydrophobicContact CE2-CB 4.36Å; F612-F1212 HydrophobicContact CZ-CB 4.19Å; F1208-F1212 HydrophobicContact CB-CE1 4.33Å; F1208-F1212 HydrophobicContact CB-CE2 3.92Å; F1208-F1212 HydrophobicContact CB-CZ 3.73Å; F1208-F1212 HydrophobicContact CD1-CE1 4.41Å; F1208-F1212 AromaticContact CD1-CZ 3.99Å; F1208-F1212 HydrophobicContact CD1-CZ 4.27Å; F1208-F1212 HydrophobicContact CG-CZ 4.15Å; F1208-F1212 WeakPolarHBondContact O-CB 3.41Å; F1208-F1212 VanDerWaalsContact O-CD1 3.29Å; F1208-F1212 WeakPolarHBondContact O-CD1 3.34Å; F1208-F1212 VanDerWaalsContact O-CD2 3.31Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.44Å; F1208-F1212 WeakPolarHBondContact O-CG 3.41Å; F1208-F1212 PolarHBondContact O-N 3.14Å; I1209-F1212 PolarHBondContact O-N 3.12Å; W1210-F1212 VanDerWaalsContact C-N 3.35Å; W1210-F1212 PolarHBondContact O-N 2.93Å; F1212-C1214 VanDerWaalsContact C-N 3.34Å; F1212-C1214 PolarHBondContact O-N 3.32Å; F1212-H1215 CarbonylContact O-C 3.49Å; F1212-H1215 PolarHBondContact O-N 3.35Å; F1212-H1215 VanDerWaalsContact O-N 3.17Å; F1212-K1216 PolarHBondContact O-N 3.32Å; F1212-G1217 PolarHBondContact O-N 3.03Å; F1212-L1218 HydrophobicContact CD1-CD1 4.08Å; F1212-L1218 HydrophobicContact CD2-CB 4.45Å; F1212-L1218 HydrophobicContact CD2-CD1 4.45Å; F1212-L1218 HydrophobicContact CE1-CD1 3.49Å; F1212-L1218 VanDerWaalsContact CE1-CD1 3.46Å; F1212-L1218 HydrophobicContact CE2-CD1 4.04Å; F1212-L1218 HydrophobicContact CZ-CD1 3.48Å; F1212-L1218 VanDerWaalsContact CZ-CD1 3.44Å; F1212-F1221 HydrophobicContact CD1-CB 4.08Å; F1212-F1221 AromaticContact CD1-CD1 3.97Å; F1212-F1221 HydrophobicContact CD1-CD1 4.17Å; F1212-F1221 AromaticContact CD1-CG 3.89Å; F1212-F1221 HydrophobicContact CD1-CG 4.1Å; F1212-F1221 HydrophobicContact CE1-CB 4.43Å; F1212-F1221 AromaticContact CE1-CD1 3.86Å; F1212-F1221 HydrophobicContact CE1-CD1 3.9Å; F1212-F1221 HydrophobicContact CE1-CE1 4.3Å; F1212-F1221 HydrophobicContact CE1-CG 4.23Å; F1212-L1270 HydrophobicContact CE1-CD1 4.25Å; F1212-L1270 HydrophobicContact CE1-CD2 3.62Å; F1212-L1270 VanDerWaalsContact CE1-CD2 3.49Å; F1212-L1270 HydrophobicContact CZ-CD1 3.75Å; F1212-L1270 HydrophobicContact CZ-CD2 3.92Å; F1212-L1270 HydrophobicContact CZ-CG 4.42Å |
| 1213 | A | 81.2 | Confident | 81.9 | Confident | 12.8 Ų | 12.8 | 35.4 Ų | 35.4 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | I611 F612 I615 I1209 W1210 A1211 H1215 K1216 | I611-A1213 HydrophobicContact CG2-CB 3.54Å; F612-A1213 HydrophobicContact CD2-CB 3.61Å; F612-A1213 HydrophobicContact CE2-CB 3.7Å; F612-A1213 HydrophobicContact CG-CB 4.16Å; F612-A1213 HydrophobicContact CZ-CB 4.28Å; I615-A1213 HydrophobicContact CD1-CB 3.38Å; I615-A1213 WeakPolarHBondContact CD1-O 3.21Å; I615-A1213 HydrophobicContact CG1-CB 4.38Å; I1209-A1213 VanDerWaalsContact O-CB 3.31Å; I1209-A1213 WeakPolarHBondContact O-CB 3.42Å; I1209-A1213 PolarHBondContact O-N 3.16Å; W1210-A1213 WeakPolarHBondContact O-CB 3.38Å; W1210-A1213 PolarHBondContact O-N 3.23Å; W1210-A1213 VanDerWaalsContact O-N 3.16Å; A1211-A1213 VanDerWaalsContact C-N 3.33Å; A1211-A1213 PolarHBondContact O-N 3.09Å; A1213-H1215 VanDerWaalsContact C-N 3.25Å; A1213-H1215 PolarHBondContact O-N 2.97Å; A1213-H1215 VanDerWaalsContact O-N 3.14Å; A1213-K1216 PolarHBondContact O-N 3.2Å; A1213-K1216 VanDerWaalsContact O-N 3.08Å |
| 1214 | C | 82.2 | Confident | 82.3 | Confident | 2.2 Ų | 2.2 | 30.9 Ų | 30.9 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -33 | 176.7 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | I615 W1210 A1211 F1212 C1246 R1249 A1250 | I615-C1214 HydrophobicContact CD1-CB 4.47Å; I615-C1214 VanDerWaalsContact CD1-N 3.33Å; W1210-C1214 VanDerWaalsContact CE2-SG 3.59Å; W1210-C1214 WeakPolarHBondContact O-CB 3.38Å; W1210-C1214 PolarHBondContact O-N 3.1Å; W1210-C1214 PolarHBondContact O-SG 3.09Å; W1210-C1214 VanDerWaalsContact O-SG 3.34Å; A1211-C1214 PolarHBondContact O-N 3.25Å; F1212-C1214 VanDerWaalsContact C-N 3.34Å; F1212-C1214 PolarHBondContact O-N 3.32Å; C1214-C1246 PolarHBondContact O-SG 3.13Å; C1214-R1249 HydrophobicContact CB-CB 4.32Å; C1214-R1249 WeakPolarHBondContact O-CD 3.31Å; C1214-R1249 PolarHBondContact O-NH1 3.07Å; C1214-R1249 VanDerWaalsContact O-NH1 3.13Å; C1214-A1250 HydrophobicContact CB-CB 4.39Å |
| 1215 | H | 82 | Confident | 82.7 | Confident | 11.6 Ų | 11.6 | 29.1 Ų | 29.1 | 5% | 0.054 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.7 | -179.9 | -68.5 | 65.9 | 0 | 0 | 0 | 114.1 | A1211 F1212 A1213 G1217 N1220 F1221 H1224 C1246 | A1211-H1215 PolarHBondContact O-CD2 3.38Å; A1211-H1215 PolarHBondContact O-N 3.25Å; A1211-H1215 VanDerWaalsContact O-N 3.1Å; A1211-H1215 PolarHBondContact O-ND1 3.17Å; F1212-H1215 CarbonylContact O-C 3.49Å; F1212-H1215 PolarHBondContact O-N 3.35Å; F1212-H1215 VanDerWaalsContact O-N 3.17Å; A1213-H1215 VanDerWaalsContact C-N 3.25Å; A1213-H1215 PolarHBondContact O-N 2.97Å; A1213-H1215 VanDerWaalsContact O-N 3.14Å; H1215-G1217 VanDerWaalsContact C-N 3.31Å; H1215-G1217 PolarHBondContact O-N 3.16Å; H1215-N1220 HydrophobicContact CB-CB 4.25Å; H1215-N1220 WeakPolarHBondContact O-CB 3.35Å; H1215-N1220 PolarHBondContact O-ND2 3.26Å; H1215-N1220 VanDerWaalsContact O-ND2 3.1Å; H1215-F1221 HydrophobicContact CB-CB 3.9Å; H1215-F1221 HydrophobicContact CB-CD2 4.38Å; H1215-F1221 AromaticContact CD2-CD2 3.73Å; H1215-F1221 VanDerWaalsContact CD2-CD2 3.42Å; H1215-F1221 WeakPolarHBondContact CD2-CD2 3.32Å; H1215-F1221 AromaticContact CE1-CD2 3.78Å; H1215-F1221 AromaticContact CE1-CE2 3.92Å; H1215-F1221 AromaticContact CG-CD2 3.75Å; H1215-F1221 AromaticContact ND1-CD2 3.66Å; H1215-F1221 WeakPolarHBondContact ND1-CD2 3.45Å; H1215-F1221 AromaticContact NE2-CD2 3.81Å; H1215-F1221 AromaticContact NE2-CE2 3.93Å; H1215-H1224 AromaticContact CD2-CG 3.92Å; H1215-H1224 AromaticContact CD2-ND1 3.32Å; H1215-H1224 PolarHBondContact CD2-ND1 2.85Å; H1215-H1224 VanDerWaalsContact CD2-ND1 3.31Å; H1215-H1224 AromaticContact CE1-CD2 3.91Å; H1215-H1224 AromaticContact CE1-CE1 3.91Å; H1215-H1224 AromaticContact CE1-CG 3.65Å; H1215-H1224 AromaticContact CE1-ND1 3.61Å; H1215-H1224 AromaticContact CG-ND1 3.91Å; H1215-H1224 WeakPolarHBondContact ND1-CB 3.32Å; H1215-H1224 AromaticContact ND1-CE1 3.97Å; H1215-H1224 AromaticContact ND1-CG 3.75Å; H1215-H1224 AromaticContact ND1-ND1 2.91Å; H1215-H1224 PolarHBondContact ND1-ND1 2.89Å; H1215-H1224 AromaticContact NE2-CE1 3.54Å; H1215-H1224 AromaticContact NE2-CG 3.81Å; H1215-H1224 AromaticContact NE2-ND1 3.35Å; H1215-H1224 PolarHBondContact NE2-ND1 3.49Å; H1215-C1246 WeakPolarHBondContact ND1-CB 3.33Å |
| 1216 | K | 79.2 | Confident | 83 | Confident | 98.8 Ų | 98.8 | 27 Ų | 27 | 43% | 0.43 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 36.3 | -175.9 | -56.1 | -137.7 | 177.7 | -178.1 | 0 | 113.8 | I615 D616 D619 F1212 A1213 N1220 R1249 | I615-K1216 VanDerWaalsContact CG2-NZ 3.34Å; D616-K1216 IonicContact OD1-NZ 3.23Å; D616-K1216 PolarHBondContact OD1-NZ 3.17Å; D619-K1216 WeakPolarHBondContact OD2-CE 3.45Å; D619-K1216 IonicContact OD2-NZ 3.26Å; D619-K1216 PolarHBondContact OD2-NZ 3.39Å; F1212-K1216 PolarHBondContact O-N 3.32Å; A1213-K1216 PolarHBondContact O-N 3.2Å; A1213-K1216 VanDerWaalsContact O-N 3.08Å; K1216-N1220 PolarHBondContact O-ND2 3.29Å; K1216-R1249 VanDerWaalsContact CE-NH1 3.26Å; K1216-R1249 VanDerWaalsContact CE-NH2 3.31Å |
| 1217 | G | 79.5 | Confident | 83.3 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 17% | 0.165 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 133.7 | 163.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F1212 H1215 F1221 | F1212-G1217 PolarHBondContact O-N 3.03Å; H1215-G1217 VanDerWaalsContact C-N 3.31Å; H1215-G1217 PolarHBondContact O-N 3.16Å; G1217-F1221 WeakPolarHBondContact O-CB 3.3Å; G1217-F1221 PolarHBondContact O-N 3.15Å; G1217-F1221 VanDerWaalsContact O-N 3.11Å |
| 1218 | L | 82.7 | Confident | 83.4 | Confident | 49.2 Ų | 49.2 | 30.2 Ų | 30.2 | 26% | 0.258 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.9 | 175.9 | 64.3 | 0 | 0 | 0 | 112.1 | F1212 N1220 F1221 I1222 L1270 | F1212-L1218 HydrophobicContact CD1-CD1 4.08Å; F1212-L1218 HydrophobicContact CD2-CB 4.45Å; F1212-L1218 HydrophobicContact CD2-CD1 4.45Å; F1212-L1218 HydrophobicContact CE1-CD1 3.49Å; F1212-L1218 VanDerWaalsContact CE1-CD1 3.46Å; F1212-L1218 HydrophobicContact CE2-CD1 4.04Å; F1212-L1218 HydrophobicContact CZ-CD1 3.48Å; F1212-L1218 VanDerWaalsContact CZ-CD1 3.44Å; L1218-N1220 VanDerWaalsContact C-N 3.35Å; L1218-N1220 PolarHBondContact O-N 3.12Å; L1218-F1221 WeakPolarHBondContact O-CB 3.46Å; L1218-F1221 PolarHBondContact O-N 3.2Å; L1218-I1222 HydrophobicContact CD1-CD1 3.73Å; L1218-I1222 HydrophobicContact CD1-CG1 3.98Å; L1218-I1222 HydrophobicContact CD2-CD1 4.35Å; L1218-I1222 HydrophobicContact CG-CD1 3.78Å; L1218-I1222 HydrophobicContact CG-CG1 4.34Å; L1218-I1222 WeakPolarHBondContact O-CB 3.34Å; L1218-I1222 VanDerWaalsContact O-CG1 3.29Å; L1218-I1222 WeakPolarHBondContact O-CG1 3.36Å; L1218-I1222 PolarHBondContact O-N 3.22Å; L1218-L1270 HydrophobicContact CD1-CD1 4.09Å; L1218-L1270 HydrophobicContact CD1-CD2 3.96Å; L1218-L1270 HydrophobicContact CD1-CG 4.34Å |
| 1219 | S | 80.7 | Confident | 83.4 | Confident | 66.8 Ų | 66.8 | 31.3 Ų | 31.3 | 47% | 0.467 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.7 | -46.7 | -178.4 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | F1221 I1222 S1223 | S1219-F1221 VanDerWaalsContact C-N 3.35Å; S1219-F1221 PolarHBondContact O-N 3.48Å; S1219-I1222 PolarHBondContact O-N 3.15Å; S1219-S1223 WeakPolarHBondContact O-CB 3.37Å; S1219-S1223 PolarHBondContact O-N 3.27Å; S1219-S1223 PolarHBondContact O-OG 3.18Å; S1219-S1223 VanDerWaalsContact O-OG 3.12Å |
| 1220 | N | 82.6 | Confident | 83.4 | Confident | 68.8 Ų | 68.8 | 35.2 Ų | 35.2 | 37% | 0.368 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.4 | -69.1 | -10.9 | 0 | 0 | 0 | 112 | H1215 K1216 L1218 I1222 S1223 H1224 | H1215-N1220 HydrophobicContact CB-CB 4.25Å; H1215-N1220 WeakPolarHBondContact O-CB 3.35Å; H1215-N1220 PolarHBondContact O-ND2 3.26Å; H1215-N1220 VanDerWaalsContact O-ND2 3.1Å; K1216-N1220 PolarHBondContact O-ND2 3.29Å; L1218-N1220 VanDerWaalsContact C-N 3.35Å; L1218-N1220 PolarHBondContact O-N 3.12Å; N1220-I1222 VanDerWaalsContact C-N 3.33Å; N1220-I1222 PolarHBondContact O-N 2.92Å; N1220-S1223 VanDerWaalsContact CA-OG 3.28Å; N1220-S1223 WeakPolarHBondContact CA-OG 3.37Å; N1220-S1223 PolarHBondContact O-N 3.17Å; N1220-S1223 PolarHBondContact O-OG 3.34Å; N1220-S1223 VanDerWaalsContact O-OG 3.05Å; N1220-H1224 VanDerWaalsContact O-CB 3.27Å; N1220-H1224 WeakPolarHBondContact O-CB 3.32Å; N1220-H1224 PolarHBondContact O-CD2 3.03Å; N1220-H1224 PolarHBondContact O-N 3.01Å; N1220-H1224 PolarHBondContact O-ND1 3.02Å |
| 1221 | F | 86.1 | Confident | 83.6 | Confident | 10.6 Ų | 10.6 | 33.7 Ų | 33.7 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 174.2 | 179.6 | -101.5 | 0 | 0 | 0 | 111.4 | A1211 F1212 H1215 G1217 L1218 S1219 H1224 T1225 L1262 V1267 L1270 | A1211-F1221 HydrophobicContact CB-CD2 4.13Å; A1211-F1221 HydrophobicContact CB-CE2 3.89Å; A1211-F1221 HydrophobicContact CB-CZ 4.36Å; F1212-F1221 HydrophobicContact CD1-CB 4.08Å; F1212-F1221 AromaticContact CD1-CD1 3.97Å; F1212-F1221 HydrophobicContact CD1-CD1 4.17Å; F1212-F1221 AromaticContact CD1-CG 3.89Å; F1212-F1221 HydrophobicContact CD1-CG 4.1Å; F1212-F1221 HydrophobicContact CE1-CB 4.43Å; F1212-F1221 AromaticContact CE1-CD1 3.86Å; F1212-F1221 HydrophobicContact CE1-CD1 3.9Å; F1212-F1221 HydrophobicContact CE1-CE1 4.3Å; F1212-F1221 HydrophobicContact CE1-CG 4.23Å; H1215-F1221 HydrophobicContact CB-CB 3.9Å; H1215-F1221 HydrophobicContact CB-CD2 4.38Å; H1215-F1221 AromaticContact CD2-CD2 3.73Å; H1215-F1221 VanDerWaalsContact CD2-CD2 3.42Å; H1215-F1221 WeakPolarHBondContact CD2-CD2 3.32Å; H1215-F1221 AromaticContact CE1-CD2 3.78Å; H1215-F1221 AromaticContact CE1-CE2 3.92Å; H1215-F1221 AromaticContact CG-CD2 3.75Å; H1215-F1221 AromaticContact ND1-CD2 3.66Å; H1215-F1221 WeakPolarHBondContact ND1-CD2 3.45Å; H1215-F1221 AromaticContact NE2-CD2 3.81Å; H1215-F1221 AromaticContact NE2-CE2 3.93Å; G1217-F1221 WeakPolarHBondContact O-CB 3.3Å; G1217-F1221 PolarHBondContact O-N 3.15Å; G1217-F1221 VanDerWaalsContact O-N 3.11Å; L1218-F1221 WeakPolarHBondContact O-CB 3.46Å; L1218-F1221 PolarHBondContact O-N 3.2Å; S1219-F1221 VanDerWaalsContact C-N 3.35Å; S1219-F1221 PolarHBondContact O-N 3.48Å; F1221-H1224 PolarHBondContact O-N 3.03Å; F1221-T1225 HydrophobicContact CD1-CG2 4.43Å; F1221-T1225 HydrophobicContact CD2-CG2 4.36Å; F1221-T1225 HydrophobicContact CE1-CG2 3.94Å; F1221-T1225 WeakPolarHBondContact CE1-OG1 3.38Å; F1221-T1225 HydrophobicContact CE2-CG2 3.89Å; F1221-T1225 HydrophobicContact CZ-CG2 3.66Å; F1221-T1225 WeakPolarHBondContact CZ-OG1 3.39Å; F1221-T1225 VanDerWaalsContact O-CB 3.3Å; F1221-T1225 WeakPolarHBondContact O-CB 3.4Å; F1221-T1225 WeakPolarHBondContact O-CG2 3.14Å; F1221-T1225 PolarHBondContact O-N 3.24Å; F1221-T1225 PolarHBondContact O-OG1 3.05Å; F1221-L1262 HydrophobicContact CE1-CD1 4.21Å; F1221-L1262 HydrophobicContact CE2-CD1 4.05Å; F1221-L1262 HydrophobicContact CZ-CD1 3.51Å; F1221-L1262 VanDerWaalsContact CZ-CD1 3.45Å; F1221-V1267 HydrophobicContact CZ-CG2 4.46Å; F1221-L1270 HydrophobicContact CD1-CD2 3.52Å; F1221-L1270 VanDerWaalsContact CD1-CD2 3.46Å; F1221-L1270 HydrophobicContact CE1-CD2 3.39Å; F1221-L1270 HydrophobicContact CZ-CD2 4.34Å |
| 1222 | I | 85.9 | Confident | 83.5 | Confident | 3.8 Ų | 3.8 | 33.9 Ų | 33.9 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 178.7 | -70.7 | 177.2 | 0 | 0 | 0 | 110.9 | L1218 S1219 N1220 H1224 T1225 L1226 L1271 H1274 | L1218-I1222 HydrophobicContact CD1-CD1 3.73Å; L1218-I1222 HydrophobicContact CD1-CG1 3.98Å; L1218-I1222 HydrophobicContact CD2-CD1 4.35Å; L1218-I1222 HydrophobicContact CG-CD1 3.78Å; L1218-I1222 HydrophobicContact CG-CG1 4.34Å; L1218-I1222 WeakPolarHBondContact O-CB 3.34Å; L1218-I1222 VanDerWaalsContact O-CG1 3.29Å; L1218-I1222 WeakPolarHBondContact O-CG1 3.36Å; L1218-I1222 PolarHBondContact O-N 3.22Å; S1219-I1222 PolarHBondContact O-N 3.15Å; N1220-I1222 VanDerWaalsContact C-N 3.33Å; N1220-I1222 PolarHBondContact O-N 2.92Å; I1222-H1224 VanDerWaalsContact C-N 3.35Å; I1222-H1224 PolarHBondContact O-N 2.95Å; I1222-T1225 WeakPolarHBondContact CA-OG1 3.38Å; I1222-T1225 PolarHBondContact O-N 3.16Å; I1222-T1225 PolarHBondContact O-OG1 3.04Å; I1222-L1226 HydrophobicContact CG2-CD1 3.81Å; I1222-L1226 HydrophobicContact CG2-CG 4.27Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 VanDerWaalsContact O-CG 3.28Å; I1222-L1226 WeakPolarHBondContact O-CG 3.33Å; I1222-L1226 PolarHBondContact O-N 3.34Å; I1222-L1271 HydrophobicContact CB-CD2 4.44Å; I1222-L1271 HydrophobicContact CG1-CD2 4.29Å; I1222-L1271 HydrophobicContact CG2-CD2 4.14Å; I1222-H1274 HydrophobicContact CD1-CB 3.75Å; I1222-H1274 VanDerWaalsContact CD1-CD2 3.45Å; I1222-H1274 WeakPolarHBondContact CD1-CD2 3.46Å; I1222-H1274 VanDerWaalsContact CD1-CG 3.42Å; I1222-H1274 VanDerWaalsContact CD1-ND1 3.31Å; I1222-H1274 WeakPolarHBondContact CD1-ND1 3.37Å |
| 1223 | S | 83.5 | Confident | 82.8 | Confident | 17.6 Ų | 17.6 | 34.5 Ų | 34.5 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.1 | 47.5 | 0 | 0 | 0 | 0 | 111 | S1219 N1220 T1225 L1226 F1227 I1232 Y1385 | S1219-S1223 WeakPolarHBondContact O-CB 3.37Å; S1219-S1223 PolarHBondContact O-N 3.27Å; S1219-S1223 PolarHBondContact O-OG 3.18Å; S1219-S1223 VanDerWaalsContact O-OG 3.12Å; N1220-S1223 VanDerWaalsContact CA-OG 3.28Å; N1220-S1223 WeakPolarHBondContact CA-OG 3.37Å; N1220-S1223 PolarHBondContact O-N 3.17Å; N1220-S1223 PolarHBondContact O-OG 3.34Å; N1220-S1223 VanDerWaalsContact O-OG 3.05Å; S1223-T1225 VanDerWaalsContact C-N 3.31Å; S1223-T1225 PolarHBondContact O-N 3.21Å; S1223-T1225 VanDerWaalsContact O-N 3.15Å; S1223-L1226 CarbonylContact O-C 3.57Å; S1223-L1226 PolarHBondContact O-N 3.11Å; S1223-F1227 VanDerWaalsContact O-CB 3.24Å; S1223-F1227 WeakPolarHBondContact O-CB 3.39Å; S1223-F1227 PolarHBondContact O-N 3.02Å; S1223-I1232 VanDerWaalsContact O-CD1 3.32Å; S1223-I1232 WeakPolarHBondContact O-CD1 3.43Å; S1223-Y1385 PolarHBondContact OG-OH 3.42Å |
| 1224 | H | 85.7 | Confident | 82.5 | Confident | 13.6 Ų | 13.6 | 37.8 Ų | 37.8 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 176.7 | -107.4 | -154.7 | 0 | 0 | 0 | 111.9 | H1215 N1220 F1221 I1222 L1226 F1227 M1228 S1242 V1243 | H1215-H1224 AromaticContact CD2-CG 3.92Å; H1215-H1224 AromaticContact CD2-ND1 3.32Å; H1215-H1224 PolarHBondContact CD2-ND1 2.85Å; H1215-H1224 VanDerWaalsContact CD2-ND1 3.31Å; H1215-H1224 AromaticContact CE1-CD2 3.91Å; H1215-H1224 AromaticContact CE1-CE1 3.91Å; H1215-H1224 AromaticContact CE1-CG 3.65Å; H1215-H1224 AromaticContact CE1-ND1 3.61Å; H1215-H1224 AromaticContact CG-ND1 3.91Å; H1215-H1224 WeakPolarHBondContact ND1-CB 3.32Å; H1215-H1224 AromaticContact ND1-CE1 3.97Å; H1215-H1224 AromaticContact ND1-CG 3.75Å; H1215-H1224 AromaticContact ND1-ND1 2.91Å; H1215-H1224 PolarHBondContact ND1-ND1 2.89Å; H1215-H1224 AromaticContact NE2-CE1 3.54Å; H1215-H1224 AromaticContact NE2-CG 3.81Å; H1215-H1224 AromaticContact NE2-ND1 3.35Å; H1215-H1224 PolarHBondContact NE2-ND1 3.49Å; N1220-H1224 VanDerWaalsContact O-CB 3.27Å; N1220-H1224 WeakPolarHBondContact O-CB 3.32Å; N1220-H1224 PolarHBondContact O-CD2 3.03Å; N1220-H1224 PolarHBondContact O-N 3.01Å; N1220-H1224 PolarHBondContact O-ND1 3.02Å; F1221-H1224 PolarHBondContact O-N 3.03Å; I1222-H1224 VanDerWaalsContact C-N 3.35Å; I1222-H1224 PolarHBondContact O-N 2.95Å; H1224-L1226 PolarHBondContact O-N 3.14Å; H1224-F1227 WeakPolarHBondContact O-CB 3.42Å; H1224-F1227 PolarHBondContact O-N 3.06Å; H1224-F1227 VanDerWaalsContact O-N 3.16Å; H1224-M1228 VanDerWaalsContact CD2-CG 3.46Å; H1224-M1228 WeakPolarHBondContact CD2-CG 3.3Å; H1224-M1228 WeakPolarHBondContact NE2-CG 3Å; H1224-M1228 WeakPolarHBondContact O-CB 3.4Å; H1224-M1228 VanDerWaalsContact O-CG 3.3Å; H1224-M1228 WeakPolarHBondContact O-CG 3.38Å; H1224-M1228 PolarHBondContact O-N 3.12Å; H1224-S1242 PolarHBondContact NE2-OG 3.15Å; H1224-V1243 HydrophobicContact CB-CG1 4.35Å; H1224-V1243 HydrophobicContact CB-CG2 4.22Å; H1224-V1243 WeakPolarHBondContact NE2-CG1 3.47Å |
| 1225 | T | 86.6 | Confident | 81.9 | Confident | 10.2 Ų | 10.2 | 41.6 Ų | 41.6 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | 178.7 | -38.6 | 0 | 0 | 0 | 0 | 112 | W507 F1221 I1222 S1223 F1227 M1228 I1229 V1267 L1271 | W507-T1225 HydrophobicContact CH2-CG2 3.76Å; W507-T1225 HydrophobicContact CZ2-CG2 4.02Å; F1221-T1225 HydrophobicContact CD1-CG2 4.43Å; F1221-T1225 HydrophobicContact CD2-CG2 4.36Å; F1221-T1225 HydrophobicContact CE1-CG2 3.94Å; F1221-T1225 WeakPolarHBondContact CE1-OG1 3.38Å; F1221-T1225 HydrophobicContact CE2-CG2 3.89Å; F1221-T1225 HydrophobicContact CZ-CG2 3.66Å; F1221-T1225 WeakPolarHBondContact CZ-OG1 3.39Å; F1221-T1225 VanDerWaalsContact O-CB 3.3Å; F1221-T1225 WeakPolarHBondContact O-CB 3.4Å; F1221-T1225 WeakPolarHBondContact O-CG2 3.14Å; F1221-T1225 PolarHBondContact O-N 3.24Å; F1221-T1225 PolarHBondContact O-OG1 3.05Å; I1222-T1225 WeakPolarHBondContact CA-OG1 3.38Å; I1222-T1225 PolarHBondContact O-N 3.16Å; I1222-T1225 PolarHBondContact O-OG1 3.04Å; S1223-T1225 VanDerWaalsContact C-N 3.31Å; S1223-T1225 PolarHBondContact O-N 3.21Å; S1223-T1225 VanDerWaalsContact O-N 3.15Å; T1225-F1227 VanDerWaalsContact C-N 3.32Å; T1225-F1227 PolarHBondContact O-N 3.38Å; T1225-M1228 PolarHBondContact O-N 3.16Å; T1225-I1229 HydrophobicContact CG2-CD1 4.11Å; T1225-I1229 WeakPolarHBondContact O-CD1 3.12Å; T1225-I1229 VanDerWaalsContact O-CG1 3.32Å; T1225-I1229 WeakPolarHBondContact O-CG1 3.37Å; T1225-I1229 PolarHBondContact O-N 3.12Å; T1225-V1267 HydrophobicContact CG2-CG1 3.65Å; T1225-V1267 VanDerWaalsContact CG2-CG1 3.43Å; T1225-L1271 HydrophobicContact CG2-CD1 3.81Å; T1225-L1271 HydrophobicContact CG2-CD2 4.31Å; T1225-L1271 HydrophobicContact CG2-CG 4.39Å; T1225-L1271 WeakPolarHBondContact OG1-CD2 3.43Å |
| 1226 | L | 86.6 | Confident | 81.4 | Confident | 0.4 Ų | 0.4 | 46.6 Ų | 46.6 | 0% | 0.002 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 174.7 | -69.6 | 173.4 | 0 | 0 | 0 | 111.8 | I1222 S1223 H1224 I1229 D1230 S1231 I1232 L1271 V1280 L1281 | I1222-L1226 HydrophobicContact CG2-CD1 3.81Å; I1222-L1226 HydrophobicContact CG2-CG 4.27Å; I1222-L1226 WeakPolarHBondContact O-CB 3.33Å; I1222-L1226 VanDerWaalsContact O-CG 3.28Å; I1222-L1226 WeakPolarHBondContact O-CG 3.33Å; I1222-L1226 PolarHBondContact O-N 3.34Å; S1223-L1226 CarbonylContact O-C 3.57Å; S1223-L1226 PolarHBondContact O-N 3.11Å; H1224-L1226 PolarHBondContact O-N 3.14Å; L1226-I1229 HydrophobicContact CD2-CD1 4.18Å; L1226-I1229 WeakPolarHBondContact O-CG1 3.35Å; L1226-I1229 PolarHBondContact O-N 3.46Å; L1226-D1230 PolarHBondContact O-N 3.1Å; L1226-S1231 WeakPolarHBondContact CA-OG 3.41Å; L1226-S1231 WeakPolarHBondContact CB-OG 3.27Å; L1226-S1231 WeakPolarHBondContact CD2-OG 3.28Å; L1226-S1231 PolarHBondContact O-N 3.04Å; L1226-S1231 PolarHBondContact O-OG 3.03Å; L1226-I1232 HydrophobicContact CB-CD1 4.19Å; L1226-I1232 HydrophobicContact CB-CG1 3.61Å; L1226-I1232 PolarHBondContact O-N 3.39Å; L1226-L1271 HydrophobicContact CD2-CD2 4.38Å; L1226-L1271 HydrophobicContact CG-CD2 4.29Å; L1226-V1280 HydrophobicContact CD1-CB 4.42Å; L1226-V1280 HydrophobicContact CD1-CG1 4.25Å; L1226-V1280 HydrophobicContact CD2-CG1 4.34Å; L1226-L1281 HydrophobicContact CD2-CD2 3.79Å; L1226-L1281 HydrophobicContact CD2-CG 3.87Å |
| 1227 | F | 86.5 | Confident | 81.1 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 174.5 | 178.8 | -101.4 | 0 | 0 | 0 | 110.9 | S1223 H1224 T1225 I1229 D1230 I1232 P1235 V1238 P1240 V1243 | S1223-F1227 VanDerWaalsContact O-CB 3.24Å; S1223-F1227 WeakPolarHBondContact O-CB 3.39Å; S1223-F1227 PolarHBondContact O-N 3.02Å; H1224-F1227 WeakPolarHBondContact O-CB 3.42Å; H1224-F1227 PolarHBondContact O-N 3.06Å; H1224-F1227 VanDerWaalsContact O-N 3.16Å; T1225-F1227 VanDerWaalsContact C-N 3.32Å; T1225-F1227 PolarHBondContact O-N 3.38Å; F1227-I1229 PolarHBondContact O-N 3.17Å; F1227-I1229 VanDerWaalsContact O-N 3.15Å; F1227-D1230 WeakPolarHBondContact O-CA 3.42Å; F1227-D1230 PolarHBondContact O-N 3.07Å; F1227-I1232 HydrophobicContact CB-CD1 3.8Å; F1227-I1232 HydrophobicContact CB-CG1 4.39Å; F1227-I1232 HydrophobicContact CD2-CD1 4.44Å; F1227-P1235 HydrophobicContact CE2-CB 4.42Å; F1227-V1238 HydrophobicContact CB-CB 4.28Å; F1227-V1238 HydrophobicContact CB-CG1 4.23Å; F1227-V1238 HydrophobicContact CB-CG2 4.28Å; F1227-V1238 HydrophobicContact CD1-CG1 4.31Å; F1227-V1238 HydrophobicContact CD2-CB 4.05Å; F1227-V1238 HydrophobicContact CD2-CG1 4.42Å; F1227-V1238 HydrophobicContact CE2-CB 4.49Å; F1227-V1238 HydrophobicContact CG-CB 4.12Å; F1227-V1238 HydrophobicContact CG-CG1 4.09Å; F1227-P1240 HydrophobicContact CE1-CB 4.4Å; F1227-P1240 HydrophobicContact CE1-CG 4.49Å; F1227-P1240 HydrophobicContact CZ-CB 4.44Å; F1227-P1240 HydrophobicContact CZ-CG 4.09Å; F1227-V1243 HydrophobicContact CD1-CG2 4.24Å; F1227-V1243 HydrophobicContact CE1-CG2 4.44Å |
| 1228 | M | 84.3 | Confident | 80.9 | Confident | 92.2 Ų | 92.2 | 44.8 Ų | 44.8 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62 | -24.8 | 179.6 | -72.6 | -79.4 | -62.5 | 0 | 0 | 114.1 | W507 T509 H1224 T1225 D1230 V1243 L1247 | W507-M1228 HydrophobicContact CH2-CB 4.45Å; T509-M1228 HydrophobicContact CG2-CB 3.98Å; T509-M1228 HydrophobicContact CG2-CE 3.96Å; H1224-M1228 VanDerWaalsContact CD2-CG 3.46Å; H1224-M1228 WeakPolarHBondContact CD2-CG 3.3Å; H1224-M1228 WeakPolarHBondContact NE2-CG 3Å; H1224-M1228 WeakPolarHBondContact O-CB 3.4Å; H1224-M1228 VanDerWaalsContact O-CG 3.3Å; H1224-M1228 WeakPolarHBondContact O-CG 3.38Å; H1224-M1228 PolarHBondContact O-N 3.12Å; T1225-M1228 PolarHBondContact O-N 3.16Å; M1228-D1230 VanDerWaalsContact C-N 3.3Å; M1228-V1243 HydrophobicContact CG-CG1 4.24Å; M1228-V1243 HydrophobicContact SD-CG1 4.04Å; M1228-L1247 HydrophobicContact CE-CD1 4.41Å; M1228-L1247 HydrophobicContact SD-CD1 4.12Å |
| 1229 | I | 84.3 | Confident | 80.7 | Confident | 39.6 Ų | 39.6 | 46.6 Ų | 46.6 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 10.3 | 176.6 | -15.6 | 172.2 | 0 | 0 | 0 | 111.3 | W507 M512 I513 I516 T1225 L1226 F1227 S1231 L1271 L1281 R1288 | W507-I1229 HydrophobicContact CH2-CG2 4.01Å; W507-I1229 HydrophobicContact CZ3-CG2 3.73Å; M512-I1229 HydrophobicContact CB-CG2 4.25Å; M512-I1229 HydrophobicContact CG-CG2 4.2Å; M512-I1229 HydrophobicContact SD-CG2 4.22Å; I513-I1229 HydrophobicContact CG1-CB 4.24Å; I516-I1229 HydrophobicContact CD1-CB 4.29Å; I516-I1229 HydrophobicContact CD1-CD1 3.87Å; I516-I1229 HydrophobicContact CD1-CG1 4.34Å; T1225-I1229 HydrophobicContact CG2-CD1 4.11Å; T1225-I1229 WeakPolarHBondContact O-CD1 3.12Å; T1225-I1229 VanDerWaalsContact O-CG1 3.32Å; T1225-I1229 WeakPolarHBondContact O-CG1 3.37Å; T1225-I1229 PolarHBondContact O-N 3.12Å; L1226-I1229 HydrophobicContact CD2-CD1 4.18Å; L1226-I1229 WeakPolarHBondContact O-CG1 3.35Å; L1226-I1229 PolarHBondContact O-N 3.46Å; F1227-I1229 PolarHBondContact O-N 3.17Å; F1227-I1229 VanDerWaalsContact O-N 3.15Å; I1229-S1231 VanDerWaalsContact C-N 3.28Å; I1229-S1231 WeakPolarHBondContact CG1-OG 3.45Å; I1229-S1231 PolarHBondContact O-N 3.11Å; I1229-S1231 VanDerWaalsContact O-N 3.17Å; I1229-S1231 PolarHBondContact O-OG 2.94Å; I1229-L1271 HydrophobicContact CD1-CD1 4.2Å; I1229-L1281 HydrophobicContact CD1-CD2 3.62Å; I1229-R1288 VanDerWaalsContact O-CZ 3.27Å; I1229-R1288 PolarHBondContact O-NH1 3.21Å; I1229-R1288 VanDerWaalsContact O-NH1 3.1Å; I1229-R1288 PolarHBondContact O-NH2 3.28Å |
| 1230 | D | 82 | Confident | 80.6 | Confident | 110.8 Ų | 110.8 | 46.9 Ų | 46.9 | 59% | 0.593 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.1 | -176.6 | -61.4 | -38.6 | 0 | 0 | 0 | 113.7 | L1226 F1227 M1228 R1287 R1288 | L1226-D1230 PolarHBondContact O-N 3.1Å; F1227-D1230 WeakPolarHBondContact O-CA 3.42Å; F1227-D1230 PolarHBondContact O-N 3.07Å; M1228-D1230 VanDerWaalsContact C-N 3.3Å; D1230-R1287 PolarHBondContact O-NH2 3.04Å; D1230-R1288 VanDerWaalsContact C-NH2 3.34Å; D1230-R1288 PolarHBondContact O-NH2 3.02Å |
| 1231 | S | 84.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -102.8 | -3.6 | -177.5 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | L1226 I1229 V1280 S1284 Y1344 | L1226-S1231 WeakPolarHBondContact CA-OG 3.41Å; L1226-S1231 WeakPolarHBondContact CB-OG 3.27Å; L1226-S1231 WeakPolarHBondContact CD2-OG 3.28Å; L1226-S1231 PolarHBondContact O-N 3.04Å; L1226-S1231 PolarHBondContact O-OG 3.03Å; I1229-S1231 VanDerWaalsContact C-N 3.28Å; I1229-S1231 WeakPolarHBondContact CG1-OG 3.45Å; I1229-S1231 PolarHBondContact O-N 3.11Å; I1229-S1231 VanDerWaalsContact O-N 3.17Å; I1229-S1231 PolarHBondContact O-OG 2.94Å; S1231-V1280 WeakPolarHBondContact O-CG1 3.33Å; S1231-S1284 WeakPolarHBondContact CB-OG 3.35Å; S1231-S1284 WeakPolarHBondContact OG-CB 3.25Å; S1231-S1284 PolarHBondContact OG-OG 3.24Å; S1231-Y1344 VanDerWaalsContact C-OH 3.29Å; S1231-Y1344 WeakPolarHBondContact CA-OH 3.34Å; S1231-Y1344 PolarHBondContact O-OH 3.03Å | ||
| 1232 | I | 81.1 | Confident | 80.1 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | trans | -78.3 | 136 | 175.3 | -68.9 | -173.4 | 0 | 0 | 0 | 110.7 | S1223 L1226 F1227 D1234 S1237 V1238 Y1385 | S1223-I1232 VanDerWaalsContact O-CD1 3.32Å; S1223-I1232 WeakPolarHBondContact O-CD1 3.43Å; L1226-I1232 HydrophobicContact CB-CD1 4.19Å; L1226-I1232 HydrophobicContact CB-CG1 3.61Å; L1226-I1232 PolarHBondContact O-N 3.39Å; F1227-I1232 HydrophobicContact CB-CD1 3.8Å; F1227-I1232 HydrophobicContact CB-CG1 4.39Å; F1227-I1232 HydrophobicContact CD2-CD1 4.44Å; I1232-D1234 VanDerWaalsContact CG2-O 3.28Å; I1232-D1234 WeakPolarHBondContact CG2-O 3.35Å; I1232-S1237 VanDerWaalsContact CG2-OG 3.31Å; I1232-S1237 WeakPolarHBondContact CG2-OG 3.41Å; I1232-V1238 HydrophobicContact CD1-CB 4.5Å; I1232-V1238 HydrophobicContact CD1-CG2 3.51Å; I1232-V1238 VanDerWaalsContact CD1-CG2 3.41Å; I1232-Y1385 HydrophobicContact CG1-CE1 4.45Å; I1232-Y1385 HydrophobicContact CG2-CD1 4.49Å; I1232-Y1385 HydrophobicContact CG2-CE1 4.14Å | ||
| 1233 | P | 72.1 | Confident | 79.7 | Confident | 37.4 Ų | 37.4 | 49.1 Ų | 49.1 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -64.3 | -44.6 | 176.4 | -17.5 | 26.4 | 0 | 0 | 0 | 114.2 | P1235 Y1344 Y1385 F1386 | P1233-P1235 WeakPolarHBondContact O-CD 3.28Å; P1233-Y1344 HydrophobicContact CB-CD2 3.94Å; P1233-Y1344 HydrophobicContact CB-CE2 4.01Å; P1233-Y1344 HydrophobicContact CG-CD2 4.1Å; P1233-Y1344 HydrophobicContact CG-CE1 4.41Å; P1233-Y1344 HydrophobicContact CG-CE2 4.01Å; P1233-Y1344 HydrophobicContact CG-CG 4.41Å; P1233-Y1385 HydrophobicContact CG-CD1 4.21Å; P1233-Y1385 HydrophobicContact CG-CG 4.36Å; P1233-F1386 HydrophobicContact CB-CE1 4.22Å; P1233-F1386 HydrophobicContact CB-CZ 4.43Å; P1233-F1386 HydrophobicContact CG-CE1 3.92Å; P1233-F1386 HydrophobicContact CG-CE2 4.41Å; P1233-F1386 HydrophobicContact CG-CZ 3.75Å |
| 1234 | D | 73.3 | Confident | 79.6 | Confident | 81.6 Ų | 81.6 | 53.4 Ų | 53.4 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | trans | -109.2 | 102.9 | 175.2 | -160.1 | -6.9 | 0 | 0 | 0 | 111.2 | I1232 T1236 S1237 | I1232-D1234 VanDerWaalsContact CG2-O 3.28Å; I1232-D1234 WeakPolarHBondContact CG2-O 3.35Å; D1234-T1236 VanDerWaalsContact CG-OG1 3.25Å; D1234-T1236 PolarHBondContact O-N 2.91Å; D1234-T1236 VanDerWaalsContact O-N 3.13Å; D1234-T1236 WeakPolarHBondContact OD1-CB 3.37Å; D1234-T1236 PolarHBondContact OD1-N 3.03Å; D1234-T1236 PolarHBondContact OD1-OG1 3.06Å; D1234-T1236 PolarHBondContact OD2-OG1 3.08Å; D1234-T1236 VanDerWaalsContact OD2-OG1 3.11Å; D1234-S1237 WeakPolarHBondContact O-CB 3.38Å; D1234-S1237 PolarHBondContact O-N 3.3Å; D1234-S1237 VanDerWaalsContact O-N 3.1Å; D1234-S1237 PolarHBondContact O-OG 3.09Å | ||
| 1235 | P | 69.4 | Low | 79.3 | Confident | 81.6 Ų | 81.6 | 57 Ų | 57 | 53% | 0.53 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -64.3 | -18.1 | 179.8 | 27.7 | -34.6 | 0 | 0 | 0 | 112.7 | F1227 P1233 S1237 | F1227-P1235 HydrophobicContact CE2-CB 4.42Å; P1233-P1235 WeakPolarHBondContact O-CD 3.28Å; P1235-S1237 VanDerWaalsContact C-N 3.26Å; P1235-S1237 PolarHBondContact O-N 3.25Å |
| 1236 | T | 72.6 | Confident | 78.9 | Confident | 118.4 Ų | 118.4 | 56.9 Ų | 56.9 | 73% | 0.726 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -76.7 | -11.7 | 177.3 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | D1234 V1238 | D1234-T1236 VanDerWaalsContact CG-OG1 3.25Å; D1234-T1236 PolarHBondContact O-N 2.91Å; D1234-T1236 VanDerWaalsContact O-N 3.13Å; D1234-T1236 WeakPolarHBondContact OD1-CB 3.37Å; D1234-T1236 PolarHBondContact OD1-N 3.03Å; D1234-T1236 PolarHBondContact OD1-OG1 3.06Å; D1234-T1236 PolarHBondContact OD2-OG1 3.08Å; D1234-T1236 VanDerWaalsContact OD2-OG1 3.11Å; T1236-V1238 VanDerWaalsContact C-N 3.27Å; T1236-V1238 PolarHBondContact O-N 3.08Å |
| 1237 | S | 72.4 | Confident | 78.5 | Confident | 66.6 Ų | 66.6 | 59.6 Ų | 59.6 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -71.3 | -18.5 | 179.3 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | I1232 D1234 P1235 | I1232-S1237 VanDerWaalsContact CG2-OG 3.31Å; I1232-S1237 WeakPolarHBondContact CG2-OG 3.41Å; D1234-S1237 WeakPolarHBondContact O-CB 3.38Å; D1234-S1237 PolarHBondContact O-N 3.3Å; D1234-S1237 VanDerWaalsContact O-N 3.1Å; D1234-S1237 PolarHBondContact O-OG 3.09Å; P1235-S1237 VanDerWaalsContact C-N 3.26Å; P1235-S1237 PolarHBondContact O-N 3.25Å |
| 1238 | V | 75.3 | Confident | 78.1 | Confident | 9.4 Ų | 9.4 | 61.3 Ų | 61.3 | 6% | 0.057 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -118.3 | 118.7 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | F1227 I1232 T1236 P1240 V1243 | F1227-V1238 HydrophobicContact CB-CB 4.28Å; F1227-V1238 HydrophobicContact CB-CG1 4.23Å; F1227-V1238 HydrophobicContact CB-CG2 4.28Å; F1227-V1238 HydrophobicContact CD1-CG1 4.31Å; F1227-V1238 HydrophobicContact CD2-CB 4.05Å; F1227-V1238 HydrophobicContact CD2-CG1 4.42Å; F1227-V1238 HydrophobicContact CE2-CB 4.49Å; F1227-V1238 HydrophobicContact CG-CB 4.12Å; F1227-V1238 HydrophobicContact CG-CG1 4.09Å; I1232-V1238 HydrophobicContact CD1-CB 4.5Å; I1232-V1238 HydrophobicContact CD1-CG2 3.51Å; I1232-V1238 VanDerWaalsContact CD1-CG2 3.41Å; T1236-V1238 VanDerWaalsContact C-N 3.27Å; T1236-V1238 PolarHBondContact O-N 3.08Å; V1238-P1240 VanDerWaalsContact O-CD 3.29Å; V1238-P1240 WeakPolarHBondContact O-CD 3.33Å; V1238-V1243 HydrophobicContact CG1-CG2 3.48Å; V1238-V1243 VanDerWaalsContact CG1-CG2 3.47Å |
| 1239 | D | 78.4 | Confident | 77.8 | Confident | 87.8 Ų | 87.8 | 58.7 Ų | 58.7 | 47% | 0.47 | 33% | 0.334 | S | S | . | . | trans | -69.5 | 117.8 | 174.9 | 173.4 | 16.2 | 0 | 0 | 0 | 109.8 | C1241 S1242 V1243 | D1239-C1241 PolarHBondContact O-N 3.14Å; D1239-C1241 VanDerWaalsContact O-N 3.15Å; D1239-C1241 VanDerWaalsContact OD1-CB 3.3Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.24Å; D1239-C1241 PolarHBondContact OD1-N 3.3Å; D1239-C1241 PolarHBondContact OD1-SG 3.36Å; D1239-S1242 WeakPolarHBondContact O-CA 3.08Å; D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.34Å; D1239-S1242 PolarHBondContact O-OG 3.07Å; D1239-S1242 PolarHBondContact OD2-N 3.25Å; D1239-V1243 PolarHBondContact O-N 2.99Å | ||
| 1240 | P | 78.8 | Confident | 77.3 | Confident | 73.4 Ų | 73.4 | 58.1 Ų | 58.1 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.3 | -31.5 | 178.3 | 5.3 | -7.7 | 0 | 0 | 0 | 112.6 | F1227 V1238 S1242 V1243 D1244 | F1227-P1240 HydrophobicContact CE1-CB 4.4Å; F1227-P1240 HydrophobicContact CE1-CG 4.49Å; F1227-P1240 HydrophobicContact CZ-CB 4.44Å; F1227-P1240 HydrophobicContact CZ-CG 4.09Å; V1238-P1240 VanDerWaalsContact O-CD 3.29Å; V1238-P1240 WeakPolarHBondContact O-CD 3.33Å; P1240-S1242 VanDerWaalsContact C-N 3.29Å; P1240-S1242 PolarHBondContact O-N 3.15Å; P1240-V1243 WeakPolarHBondContact O-CB 3.33Å; P1240-V1243 PolarHBondContact O-N 3.11Å; P1240-D1244 PolarHBondContact O-N 3.1Å |
| 1241 | C | 80.6 | Confident | 76.9 | Confident | 81.2 Ų | 81.2 | 61.2 Ų | 61.2 | 55% | 0.549 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | D1239 V1243 D1244 M1245 | D1239-C1241 PolarHBondContact O-N 3.14Å; D1239-C1241 VanDerWaalsContact O-N 3.15Å; D1239-C1241 VanDerWaalsContact OD1-CB 3.3Å; D1239-C1241 WeakPolarHBondContact OD1-CB 3.24Å; D1239-C1241 PolarHBondContact OD1-N 3.3Å; D1239-C1241 PolarHBondContact OD1-SG 3.36Å; C1241-V1243 VanDerWaalsContact C-N 3.33Å; C1241-V1243 PolarHBondContact O-N 3.47Å; C1241-D1244 PolarHBondContact O-N 3.1Å; C1241-M1245 VanDerWaalsContact O-CB 3.28Å; C1241-M1245 WeakPolarHBondContact O-CB 3.28Å; C1241-M1245 VanDerWaalsContact O-CG 3.23Å; C1241-M1245 WeakPolarHBondContact O-CG 3.42Å; C1241-M1245 PolarHBondContact O-N 3.2Å |
| 1242 | S | 78.2 | Confident | 76.4 | Confident | 41.4 Ų | 41.4 | 65.9 Ų | 65.9 | 29% | 0.29 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -38 | 175.9 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | H1224 D1239 P1240 M1245 C1246 | H1224-S1242 PolarHBondContact NE2-OG 3.15Å; D1239-S1242 WeakPolarHBondContact O-CA 3.08Å; D1239-S1242 WeakPolarHBondContact O-CB 3.32Å; D1239-S1242 PolarHBondContact O-N 3.34Å; D1239-S1242 PolarHBondContact O-OG 3.07Å; D1239-S1242 PolarHBondContact OD2-N 3.25Å; P1240-S1242 VanDerWaalsContact C-N 3.29Å; P1240-S1242 PolarHBondContact O-N 3.15Å; S1242-M1245 PolarHBondContact O-N 3Å; S1242-C1246 WeakPolarHBondContact O-CB 3.25Å; S1242-C1246 PolarHBondContact O-N 3.23Å; S1242-C1246 PolarHBondContact O-SG 3.17Å |
| 1243 | V | 78 | Confident | 76 | Confident | 6.4 Ų | 6.4 | 67.4 Ų | 67.4 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.3 | -50 | 176.2 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | H1224 F1227 M1228 V1238 D1239 P1240 C1241 M1245 C1246 L1247 | H1224-V1243 HydrophobicContact CB-CG1 4.35Å; H1224-V1243 HydrophobicContact CB-CG2 4.22Å; H1224-V1243 WeakPolarHBondContact NE2-CG1 3.47Å; F1227-V1243 HydrophobicContact CD1-CG2 4.24Å; F1227-V1243 HydrophobicContact CE1-CG2 4.44Å; M1228-V1243 HydrophobicContact CG-CG1 4.24Å; M1228-V1243 HydrophobicContact SD-CG1 4.04Å; V1238-V1243 HydrophobicContact CG1-CG2 3.48Å; V1238-V1243 VanDerWaalsContact CG1-CG2 3.47Å; D1239-V1243 PolarHBondContact O-N 2.99Å; P1240-V1243 WeakPolarHBondContact O-CB 3.33Å; P1240-V1243 PolarHBondContact O-N 3.11Å; C1241-V1243 VanDerWaalsContact C-N 3.33Å; C1241-V1243 PolarHBondContact O-N 3.47Å; V1243-M1245 VanDerWaalsContact C-N 3.31Å; V1243-M1245 PolarHBondContact O-N 3.4Å; V1243-C1246 PolarHBondContact O-N 3.41Å; V1243-C1246 VanDerWaalsContact O-N 3.11Å; V1243-L1247 HydrophobicContact CG1-CD1 4.09Å; V1243-L1247 HydrophobicContact CG1-CG 4.39Å; V1243-L1247 WeakPolarHBondContact O-CB 3.26Å; V1243-L1247 WeakPolarHBondContact O-CG 3.36Å; V1243-L1247 PolarHBondContact O-N 3.04Å |
| 1244 | D | 79.8 | Confident | 75.9 | Confident | 106.8 Ų | 106.8 | 66.4 Ų | 66.4 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 178.2 | -83.2 | -16.3 | 0 | 0 | 0 | 111.8 | P1240 C1241 C1246 L1247 K1248 | P1240-D1244 PolarHBondContact O-N 3.1Å; C1241-D1244 PolarHBondContact O-N 3.1Å; D1244-C1246 PolarHBondContact O-N 3.22Å; D1244-L1247 PolarHBondContact O-N 3.09Å; D1244-K1248 VanDerWaalsContact O-CB 3.28Å; D1244-K1248 WeakPolarHBondContact O-CB 3.31Å; D1244-K1248 PolarHBondContact O-N 3.21Å |
| 1245 | M | 79.1 | Confident | 75.3 | Confident | 89.6 Ų | 89.6 | 66.1 Ų | 66.1 | 44% | 0.441 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.9 | -78.1 | -90 | -69.6 | 0 | 0 | 112.2 | C1241 S1242 V1243 L1247 K1248 R1249 | C1241-M1245 VanDerWaalsContact O-CB 3.28Å; C1241-M1245 WeakPolarHBondContact O-CB 3.28Å; C1241-M1245 VanDerWaalsContact O-CG 3.23Å; C1241-M1245 WeakPolarHBondContact O-CG 3.42Å; C1241-M1245 PolarHBondContact O-N 3.2Å; S1242-M1245 PolarHBondContact O-N 3Å; V1243-M1245 VanDerWaalsContact C-N 3.31Å; V1243-M1245 PolarHBondContact O-N 3.4Å; M1245-L1247 PolarHBondContact O-N 3.43Å; M1245-K1248 WeakPolarHBondContact O-CB 3.38Å; M1245-K1248 PolarHBondContact O-N 3.24Å; M1245-K1248 HydrophobicContact SD-CD 4.29Å; M1245-R1249 VanDerWaalsContact O-CB 3.3Å; M1245-R1249 WeakPolarHBondContact O-CB 3.36Å; M1245-R1249 WeakPolarHBondContact O-CD 3.43Å; M1245-R1249 WeakPolarHBondContact O-CG 3.3Å; M1245-R1249 PolarHBondContact O-N 3.13Å |
| 1246 | C | 80 | Confident | 74.8 | Confident | 7.6 Ų | 7.6 | 67.7 Ų | 67.7 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 177.9 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | C1214 H1215 S1242 V1243 D1244 K1248 R1249 A1250 | C1214-C1246 PolarHBondContact O-SG 3.13Å; H1215-C1246 WeakPolarHBondContact ND1-CB 3.33Å; S1242-C1246 WeakPolarHBondContact O-CB 3.25Å; S1242-C1246 PolarHBondContact O-N 3.23Å; S1242-C1246 PolarHBondContact O-SG 3.17Å; V1243-C1246 PolarHBondContact O-N 3.41Å; V1243-C1246 VanDerWaalsContact O-N 3.11Å; D1244-C1246 PolarHBondContact O-N 3.22Å; C1246-K1248 VanDerWaalsContact C-N 3.33Å; C1246-R1249 WeakPolarHBondContact O-CB 3.39Å; C1246-R1249 PolarHBondContact O-N 3.19Å; C1246-A1250 WeakPolarHBondContact O-CB 3.48Å; C1246-A1250 PolarHBondContact O-N 3.18Å; C1246-A1250 VanDerWaalsContact O-N 3.09Å |
| 1247 | L | 77.9 | Confident | 74.2 | Confident | 56.8 Ų | 56.8 | 65.6 Ų | 65.6 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 174.9 | -70.1 | 174.7 | 0 | 0 | 0 | 112.1 | M1228 V1243 D1244 M1245 R1249 A1250 R1251 | M1228-L1247 HydrophobicContact CE-CD1 4.41Å; M1228-L1247 HydrophobicContact SD-CD1 4.12Å; V1243-L1247 HydrophobicContact CG1-CD1 4.09Å; V1243-L1247 HydrophobicContact CG1-CG 4.39Å; V1243-L1247 WeakPolarHBondContact O-CB 3.26Å; V1243-L1247 WeakPolarHBondContact O-CG 3.36Å; V1243-L1247 PolarHBondContact O-N 3.04Å; D1244-L1247 PolarHBondContact O-N 3.09Å; M1245-L1247 PolarHBondContact O-N 3.43Å; L1247-R1249 VanDerWaalsContact C-N 3.25Å; L1247-R1249 PolarHBondContact O-N 3.07Å; L1247-A1250 PolarHBondContact O-N 3.09Å; L1247-R1251 WeakPolarHBondContact O-CB 3.39Å; L1247-R1251 WeakPolarHBondContact O-CG 3.35Å; L1247-R1251 PolarHBondContact O-N 3.07Å; L1247-R1251 PolarHBondContact O-NE 3Å; L1247-R1251 VanDerWaalsContact O-NE 3.12Å |
| 1248 | K | 77.5 | Confident | 73.7 | Confident | 86.2 Ų | 86.2 | 67.1 Ų | 67.1 | 38% | 0.375 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 173.2 | -173.3 | -175.3 | 175 | -168.7 | 0 | 110.5 | E622 D1244 M1245 C1246 A1250 R1251 E1252 | E622-K1248 IonicContact OE1-NZ 3.67Å; E622-K1248 IonicContact OE2-NZ 3.2Å; E622-K1248 PolarHBondContact OE2-NZ 2.99Å; D1244-K1248 VanDerWaalsContact O-CB 3.28Å; D1244-K1248 WeakPolarHBondContact O-CB 3.31Å; D1244-K1248 PolarHBondContact O-N 3.21Å; M1245-K1248 WeakPolarHBondContact O-CB 3.38Å; M1245-K1248 PolarHBondContact O-N 3.24Å; M1245-K1248 HydrophobicContact SD-CD 4.29Å; C1246-K1248 VanDerWaalsContact C-N 3.33Å; K1248-A1250 VanDerWaalsContact C-N 3.32Å; K1248-A1250 PolarHBondContact O-N 3.06Å; K1248-R1251 PolarHBondContact O-N 3.19Å; K1248-R1251 VanDerWaalsContact O-N 3.11Å; K1248-E1252 VanDerWaalsContact CE-CD 3.45Å; K1248-E1252 VanDerWaalsContact CE-OE1 3.29Å; K1248-E1252 WeakPolarHBondContact CE-OE1 3.32Å; K1248-E1252 WeakPolarHBondContact CE-OE2 3.32Å; K1248-E1252 VanDerWaalsContact CG-CD 3.45Å; K1248-E1252 HydrophobicContact CG-CG 4.17Å; K1248-E1252 VanDerWaalsContact CG-OE1 3.29Å; K1248-E1252 WeakPolarHBondContact CG-OE1 3.33Å; K1248-E1252 WeakPolarHBondContact CG-OE2 3.43Å; K1248-E1252 IonicContact NZ-OE1 3.88Å; K1248-E1252 IonicContact NZ-OE2 2.84Å; K1248-E1252 WeakPolarHBondContact O-CB 3.34Å; K1248-E1252 WeakPolarHBondContact O-CG 3.46Å; K1248-E1252 PolarHBondContact O-N 3.13Å |
| 1249 | R | 77.6 | Confident | 73.4 | Confident | 36.8 Ų | 36.8 | 71.4 Ų | 71.4 | 14% | 0.139 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.1 | -47.8 | 175 | -70.8 | 175.5 | -177.5 | 141.5 | 5.5 | 111.9 | D619 C1214 K1216 M1245 C1246 L1247 R1251 E1252 Y1253 | D619-R1249 IonicContact OD1-CZ 3.08Å; D619-R1249 IonicContact OD1-NE 3.16Å; D619-R1249 PolarHBondContact OD1-NE 3.13Å; D619-R1249 IonicContact OD1-NH2 3.43Å; D619-R1249 IonicContact OD2-CZ 3.32Å; D619-R1249 IonicContact OD2-NE 3.66Å; D619-R1249 PolarHBondContact OD2-NE 3.08Å; D619-R1249 VanDerWaalsContact OD2-NE 3.1Å; D619-R1249 IonicContact OD2-NH2 3.53Å; D619-R1249 PolarHBondContact OD2-NH2 2.81Å; C1214-R1249 HydrophobicContact CB-CB 4.32Å; C1214-R1249 WeakPolarHBondContact O-CD 3.31Å; C1214-R1249 PolarHBondContact O-NH1 3.07Å; C1214-R1249 VanDerWaalsContact O-NH1 3.13Å; K1216-R1249 VanDerWaalsContact CE-NH1 3.26Å; K1216-R1249 VanDerWaalsContact CE-NH2 3.31Å; M1245-R1249 VanDerWaalsContact O-CB 3.3Å; M1245-R1249 WeakPolarHBondContact O-CB 3.36Å; M1245-R1249 WeakPolarHBondContact O-CD 3.43Å; M1245-R1249 WeakPolarHBondContact O-CG 3.3Å; M1245-R1249 PolarHBondContact O-N 3.13Å; C1246-R1249 WeakPolarHBondContact O-CB 3.39Å; C1246-R1249 PolarHBondContact O-N 3.19Å; L1247-R1249 VanDerWaalsContact C-N 3.25Å; L1247-R1249 PolarHBondContact O-N 3.07Å; R1249-R1251 VanDerWaalsContact C-N 3.26Å; R1249-R1251 PolarHBondContact O-N 3.14Å; R1249-E1252 PolarHBondContact O-N 2.95Å; R1249-Y1253 VanDerWaalsContact CA-CD2 3.46Å; R1249-Y1253 HydrophobicContact CB-CD2 3.87Å; R1249-Y1253 HydrophobicContact CB-CE2 4.01Å; R1249-Y1253 HydrophobicContact CB-CG 4.4Å; R1249-Y1253 HydrophobicContact CG-CD2 4.01Å; R1249-Y1253 HydrophobicContact CG-CE2 3.62Å; R1249-Y1253 VanDerWaalsContact O-CB 3.24Å; R1249-Y1253 WeakPolarHBondContact O-CB 3.34Å; R1249-Y1253 WeakPolarHBondContact O-CD2 3.42Å; R1249-Y1253 PolarHBondContact O-N 3.12Å; R1249-Y1253 VanDerWaalsContact O-N 3.1Å |
| 1250 | A | 75.4 | Confident | 73.1 | Confident | 27.4 Ų | 27.4 | 68.6 Ų | 68.6 | 23% | 0.226 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -34.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1214 C1246 L1247 K1248 S1254 L1257 | C1214-A1250 HydrophobicContact CB-CB 4.39Å; C1246-A1250 WeakPolarHBondContact O-CB 3.48Å; C1246-A1250 PolarHBondContact O-N 3.18Å; C1246-A1250 VanDerWaalsContact O-N 3.09Å; L1247-A1250 PolarHBondContact O-N 3.09Å; K1248-A1250 VanDerWaalsContact C-N 3.32Å; K1248-A1250 PolarHBondContact O-N 3.06Å; A1250-S1254 VanDerWaalsContact O-CB 3.28Å; A1250-S1254 WeakPolarHBondContact O-CB 3.4Å; A1250-S1254 PolarHBondContact O-N 3.45Å; A1250-S1254 PolarHBondContact O-OG 3.09Å; A1250-L1257 VanDerWaalsContact O-CD2 3.24Å; A1250-L1257 WeakPolarHBondContact O-CD2 3.49Å |
| 1251 | R | 73.5 | Confident | 73 | Confident | 176 Ų | 176 | 67.5 Ų | 67.5 | 66% | 0.664 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -81.6 | -44.3 | 178.5 | -72.5 | -180 | -136.6 | 175.2 | 1.3 | 113.6 | L1247 K1248 R1249 S1254 | L1247-R1251 WeakPolarHBondContact O-CB 3.39Å; L1247-R1251 WeakPolarHBondContact O-CG 3.35Å; L1247-R1251 PolarHBondContact O-N 3.07Å; L1247-R1251 PolarHBondContact O-NE 3Å; L1247-R1251 VanDerWaalsContact O-NE 3.12Å; K1248-R1251 PolarHBondContact O-N 3.19Å; K1248-R1251 VanDerWaalsContact O-N 3.11Å; R1249-R1251 VanDerWaalsContact C-N 3.26Å; R1249-R1251 PolarHBondContact O-N 3.14Å; R1251-S1254 PolarHBondContact O-OG 2.85Å |
| 1252 | E | 72.9 | Confident | 72.9 | Confident | 98.8 Ų | 98.8 | 65 Ų | 65 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -88.2 | -29.5 | -170.4 | -68.2 | -176.8 | -173.4 | 0 | 0 | 113.5 | R655 K1248 R1249 S1254 | R655-E1252 IonicContact CZ-OE2 3.13Å; R655-E1252 IonicContact NH1-OE2 3.27Å; R655-E1252 PolarHBondContact NH1-OE2 3.14Å; R655-E1252 IonicContact NH2-OE2 3.76Å; K1248-E1252 VanDerWaalsContact CE-CD 3.45Å; K1248-E1252 VanDerWaalsContact CE-OE1 3.29Å; K1248-E1252 WeakPolarHBondContact CE-OE1 3.32Å; K1248-E1252 WeakPolarHBondContact CE-OE2 3.32Å; K1248-E1252 VanDerWaalsContact CG-CD 3.45Å; K1248-E1252 HydrophobicContact CG-CG 4.17Å; K1248-E1252 VanDerWaalsContact CG-OE1 3.29Å; K1248-E1252 WeakPolarHBondContact CG-OE1 3.33Å; K1248-E1252 WeakPolarHBondContact CG-OE2 3.43Å; K1248-E1252 IonicContact NZ-OE1 3.88Å; K1248-E1252 IonicContact NZ-OE2 2.84Å; K1248-E1252 WeakPolarHBondContact O-CB 3.34Å; K1248-E1252 WeakPolarHBondContact O-CG 3.46Å; K1248-E1252 PolarHBondContact O-N 3.13Å; R1249-E1252 PolarHBondContact O-N 2.95Å; E1252-S1254 VanDerWaalsContact C-N 3.3Å |
| 1253 | Y | 72.8 | Confident | 73 | Confident | 43.8 Ų | 43.8 | 64.4 Ų | 64.4 | 17% | 0.172 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -89 | -9.2 | -175 | -64.5 | -22.8 | 0 | 0 | 0 | 113.6 | I615 L618 D619 E622 S653 R1249 P1255 | I615-Y1253 HydrophobicContact CG1-CD2 4.28Å; I615-Y1253 HydrophobicContact CG2-CD2 4.23Å; I615-Y1253 HydrophobicContact CG2-CE2 3.97Å; L618-Y1253 HydrophobicContact CB-CD2 4.02Å; L618-Y1253 HydrophobicContact CB-CE1 4.32Å; L618-Y1253 HydrophobicContact CB-CE2 3.56Å; L618-Y1253 HydrophobicContact CD1-CD1 4Å; L618-Y1253 HydrophobicContact CD1-CD2 3.5Å; L618-Y1253 VanDerWaalsContact CD1-CD2 3.49Å; L618-Y1253 HydrophobicContact CD1-CE1 4.42Å; L618-Y1253 HydrophobicContact CD1-CE2 3.96Å; L618-Y1253 HydrophobicContact CD1-CG 3.51Å; L618-Y1253 HydrophobicContact CG-CD2 4.42Å; L618-Y1253 HydrophobicContact CG-CE2 4.42Å; D619-Y1253 PolarHBondContact OD1-OH 3.03Å; E622-Y1253 WeakPolarHBondContact OE1-CE1 3.36Å; E622-Y1253 PolarHBondContact OE1-OH 2.73Å; S653-Y1253 WeakPolarHBondContact CB-O 3.43Å; S653-Y1253 PolarHBondContact OG-O 3.22Å; R1249-Y1253 VanDerWaalsContact CA-CD2 3.46Å; R1249-Y1253 HydrophobicContact CB-CD2 3.87Å; R1249-Y1253 HydrophobicContact CB-CE2 4.01Å; R1249-Y1253 HydrophobicContact CB-CG 4.4Å; R1249-Y1253 HydrophobicContact CG-CD2 4.01Å; R1249-Y1253 HydrophobicContact CG-CE2 3.62Å; R1249-Y1253 VanDerWaalsContact O-CB 3.24Å; R1249-Y1253 WeakPolarHBondContact O-CB 3.34Å; R1249-Y1253 WeakPolarHBondContact O-CD2 3.42Å; R1249-Y1253 PolarHBondContact O-N 3.12Å; R1249-Y1253 VanDerWaalsContact O-N 3.1Å; Y1253-P1255 WeakPolarHBondContact O-CD 3.16Å |
| 1254 | S | 70 | Confident | 73.2 | Confident | 16.6 Ų | 16.6 | 67.4 Ų | 67.4 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | trans | -118.6 | 111.9 | 172.2 | 140.6 | 0 | 0 | 0 | 0 | 111.5 | I651 A1250 R1251 E1252 F1256 L1257 | I651-S1254 PolarHBondContact O-OG 3.18Å; A1250-S1254 VanDerWaalsContact O-CB 3.28Å; A1250-S1254 WeakPolarHBondContact O-CB 3.4Å; A1250-S1254 PolarHBondContact O-N 3.45Å; A1250-S1254 PolarHBondContact O-OG 3.09Å; R1251-S1254 PolarHBondContact O-OG 2.85Å; E1252-S1254 VanDerWaalsContact C-N 3.3Å; S1254-F1256 VanDerWaalsContact C-N 3.3Å; S1254-F1256 PolarHBondContact O-N 3.39Å; S1254-F1256 VanDerWaalsContact O-N 3.09Å; S1254-F1256 PolarHBondContact OG-N 3.33Å; S1254-F1256 VanDerWaalsContact OG-N 3.17Å; S1254-L1257 VanDerWaalsContact O-CD2 3.24Å; S1254-L1257 WeakPolarHBondContact O-CD2 3.28Å; S1254-L1257 WeakPolarHBondContact O-CG 3.43Å | ||
| 1255 | P | 60.8 | Low | 73.2 | Confident | 76.4 Ų | 76.4 | 65.8 Ų | 65.8 | 50% | 0.496 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -71.4 | -6.5 | 176.3 | 23.2 | -23.4 | 0 | 0 | 0 | 111.8 | G652 T654 Y1253 L1257 | G652-P1255 WeakPolarHBondContact O-CD 3.23Å; G652-P1255 WeakPolarHBondContact O-CG 3.29Å; T654-P1255 HydrophobicContact CG2-CG 4.49Å; Y1253-P1255 WeakPolarHBondContact O-CD 3.16Å; P1255-L1257 VanDerWaalsContact C-N 3.27Å; P1255-L1257 PolarHBondContact O-N 3.24Å; P1255-L1257 VanDerWaalsContact O-N 3.09Å |
| 1256 | F | 60.2 | Low | 73.5 | Confident | 113.8 Ų | 113.8 | 61.7 Ų | 61.7 | 50% | 0.499 | 32% | 0.321 | S | S | . | . | trans | -86 | 52.9 | 178.2 | -62.2 | -60.8 | 0 | 0 | 0 | 113.3 | I651 L694 S1254 S1258 Q1259 F1260 | I651-F1256 WeakPolarHBondContact O-CD2 3.41Å; L694-F1256 HydrophobicContact CD1-CE2 4.12Å; L694-F1256 HydrophobicContact CD1-CZ 4.29Å; L694-F1256 HydrophobicContact CD2-CZ 4.43Å; S1254-F1256 VanDerWaalsContact C-N 3.3Å; S1254-F1256 PolarHBondContact O-N 3.39Å; S1254-F1256 VanDerWaalsContact O-N 3.09Å; S1254-F1256 PolarHBondContact OG-N 3.33Å; S1254-F1256 VanDerWaalsContact OG-N 3.17Å; F1256-S1258 PolarHBondContact O-N 3.27Å; F1256-S1258 VanDerWaalsContact O-N 3.12Å; F1256-Q1259 HydrophobicContact CB-CB 4.3Å; F1256-Q1259 HydrophobicContact CB-CG 4.33Å; F1256-Q1259 PolarHBondContact O-N 3.23Å; F1256-F1260 HydrophobicContact CB-CD2 4.2Å; F1256-F1260 HydrophobicContact CB-CE2 4.07Å; F1256-F1260 WeakPolarHBondContact O-CD2 3.41Å; F1256-F1260 PolarHBondContact O-N 3.25Å | ||
| 1257 | L | 58.2 | Low | 73.8 | Confident | 75.2 Ų | 75.2 | 62.2 Ų | 62.2 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | 2.8 | -177 | -62.8 | 166.1 | 0 | 0 | 0 | 113.8 | A1250 S1254 P1255 Q1259 F1260 S1261 | A1250-L1257 VanDerWaalsContact O-CD2 3.24Å; A1250-L1257 WeakPolarHBondContact O-CD2 3.49Å; S1254-L1257 VanDerWaalsContact O-CD2 3.24Å; S1254-L1257 WeakPolarHBondContact O-CD2 3.28Å; S1254-L1257 WeakPolarHBondContact O-CG 3.43Å; P1255-L1257 VanDerWaalsContact C-N 3.27Å; P1255-L1257 PolarHBondContact O-N 3.24Å; P1255-L1257 VanDerWaalsContact O-N 3.09Å; L1257-Q1259 VanDerWaalsContact C-N 3.31Å; L1257-Q1259 HydrophobicContact CB-CB 4.17Å; L1257-Q1259 HydrophobicContact CB-CG 4.39Å; L1257-Q1259 HydrophobicContact CD2-CB 4.05Å; L1257-Q1259 HydrophobicContact CD2-CG 3.97Å; L1257-Q1259 VanDerWaalsContact CD2-OE1 3.28Å; L1257-Q1259 PolarHBondContact O-N 3.22Å; L1257-F1260 HydrophobicContact CB-CB 4.39Å; L1257-F1260 HydrophobicContact CB-CD2 3.63Å; L1257-F1260 HydrophobicContact CB-CE2 4.09Å; L1257-F1260 HydrophobicContact CB-CG 4.37Å; L1257-F1260 HydrophobicContact CD1-CD2 3.89Å; L1257-F1260 HydrophobicContact CD1-CE2 3.54Å; L1257-F1260 HydrophobicContact CD1-CZ 4.34Å; L1257-F1260 HydrophobicContact CD2-CD2 3.6Å; L1257-F1260 HydrophobicContact CD2-CE2 3.45Å; L1257-F1260 VanDerWaalsContact CD2-CE2 3.45Å; L1257-F1260 HydrophobicContact CD2-CZ 4.49Å; L1257-F1260 HydrophobicContact CG-CD2 3.67Å; L1257-F1260 HydrophobicContact CG-CE2 4.14Å; L1257-F1260 PolarHBondContact O-N 3.13Å; L1257-F1260 VanDerWaalsContact O-N 3.13Å; L1257-S1261 VanDerWaalsContact O-CB 3.26Å; L1257-S1261 WeakPolarHBondContact O-CB 3.25Å; L1257-S1261 PolarHBondContact O-N 3.1Å; L1257-S1261 PolarHBondContact O-OG 3.16Å |
| 1258 | S | 63.3 | Low | 74.1 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 69% | 0.685 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.2 | -23.1 | 168.9 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | F1256 F1260 S1261 | F1256-S1258 PolarHBondContact O-N 3.27Å; F1256-S1258 VanDerWaalsContact O-N 3.12Å; S1258-F1260 VanDerWaalsContact C-N 3.26Å; S1258-F1260 PolarHBondContact O-N 2.84Å; S1258-S1261 PolarHBondContact O-N 3.46Å; S1258-S1261 PolarHBondContact O-OG 3.31Å; S1258-S1261 VanDerWaalsContact O-OG 3.09Å |
| 1259 | Q | 68.3 | Low | 74.5 | Confident | 99.4 Ų | 99.4 | 59.7 Ų | 59.7 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.8 | -30.1 | 178.2 | -60.8 | -176.4 | -1.6 | 0 | 0 | 112.8 | N1187 K1207 F1256 L1257 | N1187-Q1259 PolarHBondContact OD1-NE2 2.93Å; K1207-Q1259 WeakPolarHBondContact CE-O 3.29Å; K1207-Q1259 WeakPolarHBondContact CG-O 3.43Å; F1256-Q1259 HydrophobicContact CB-CB 4.3Å; F1256-Q1259 HydrophobicContact CB-CG 4.33Å; F1256-Q1259 PolarHBondContact O-N 3.23Å; L1257-Q1259 VanDerWaalsContact C-N 3.31Å; L1257-Q1259 HydrophobicContact CB-CB 4.17Å; L1257-Q1259 HydrophobicContact CB-CG 4.39Å; L1257-Q1259 HydrophobicContact CD2-CB 4.05Å; L1257-Q1259 HydrophobicContact CD2-CG 3.97Å; L1257-Q1259 VanDerWaalsContact CD2-OE1 3.28Å; L1257-Q1259 PolarHBondContact O-N 3.22Å |
| 1260 | F | 72.7 | Confident | 74.9 | Confident | 29.2 Ų | 29.2 | 58.5 Ų | 58.5 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -97.3 | -2.5 | -179 | -66.3 | -69.2 | 0 | 0 | 0 | 114.3 | I650 I651 F1206 W1210 F1256 L1257 S1258 L1262 | I650-F1260 HydrophobicContact CG2-CE1 4.24Å; I650-F1260 HydrophobicContact CG2-CZ 3.95Å; I650-F1260 WeakPolarHBondContact O-CZ 3.12Å; I651-F1260 HydrophobicContact CG1-CZ 4.41Å; F1206-F1260 HydrophobicContact CB-CD1 4.38Å; F1206-F1260 HydrophobicContact CB-CE1 4.06Å; F1206-F1260 HydrophobicContact CG-CE1 4.44Å; W1210-F1260 HydrophobicContact CB-CB 4.3Å; W1210-F1260 HydrophobicContact CB-CD1 3.76Å; W1210-F1260 HydrophobicContact CB-CE1 4.38Å; W1210-F1260 HydrophobicContact CB-CG 4.25Å; W1210-F1260 VanDerWaalsContact CD1-CB 3.46Å; W1210-F1260 HydrophobicContact CD2-CG 4.44Å; W1210-F1260 HydrophobicContact CG-CB 3.89Å; W1210-F1260 AromaticContact CG-CD1 3.91Å; W1210-F1260 HydrophobicContact CG-CD1 4.02Å; W1210-F1260 AromaticContact CG-CG 3.93Å; W1210-F1260 HydrophobicContact CG-CG 4.01Å; F1256-F1260 HydrophobicContact CB-CD2 4.2Å; F1256-F1260 HydrophobicContact CB-CE2 4.07Å; F1256-F1260 WeakPolarHBondContact O-CD2 3.41Å; F1256-F1260 PolarHBondContact O-N 3.25Å; L1257-F1260 HydrophobicContact CB-CB 4.39Å; L1257-F1260 HydrophobicContact CB-CD2 3.63Å; L1257-F1260 HydrophobicContact CB-CE2 4.09Å; L1257-F1260 HydrophobicContact CB-CG 4.37Å; L1257-F1260 HydrophobicContact CD1-CD2 3.89Å; L1257-F1260 HydrophobicContact CD1-CE2 3.54Å; L1257-F1260 HydrophobicContact CD1-CZ 4.34Å; L1257-F1260 HydrophobicContact CD2-CD2 3.6Å; L1257-F1260 HydrophobicContact CD2-CE2 3.45Å; L1257-F1260 VanDerWaalsContact CD2-CE2 3.45Å; L1257-F1260 HydrophobicContact CD2-CZ 4.49Å; L1257-F1260 HydrophobicContact CG-CD2 3.67Å; L1257-F1260 HydrophobicContact CG-CE2 4.14Å; L1257-F1260 PolarHBondContact O-N 3.13Å; L1257-F1260 VanDerWaalsContact O-N 3.13Å; S1258-F1260 VanDerWaalsContact C-N 3.26Å; S1258-F1260 PolarHBondContact O-N 2.84Å; F1260-L1262 PolarHBondContact O-N 3.1Å |
| 1261 | S | 76 | Confident | 75.5 | Confident | 50.4 Ų | 50.4 | 57.3 Ų | 57.3 | 35% | 0.352 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 130.3 | 174.1 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | I505 K1207 L1257 S1258 | I505-S1261 WeakPolarHBondContact O-CB 3.37Å; I505-S1261 PolarHBondContact O-OG 3.25Å; K1207-S1261 WeakPolarHBondContact CD-O 3.29Å; K1207-S1261 VanDerWaalsContact CE-O 3.3Å; K1207-S1261 WeakPolarHBondContact CE-O 3.4Å; K1207-S1261 PolarHBondContact NZ-O 3.09Å; L1257-S1261 VanDerWaalsContact O-CB 3.26Å; L1257-S1261 WeakPolarHBondContact O-CB 3.25Å; L1257-S1261 PolarHBondContact O-N 3.1Å; L1257-S1261 PolarHBondContact O-OG 3.16Å; S1258-S1261 PolarHBondContact O-N 3.46Å; S1258-S1261 PolarHBondContact O-OG 3.31Å; S1258-S1261 VanDerWaalsContact O-OG 3.09Å |
| 1262 | L | 79.6 | Confident | 76.2 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 131 | 172.6 | -70.9 | 169 | 0 | 0 | 0 | 109.5 | S506 W507 K1207 F1208 A1211 F1221 F1260 D1266 V1267 | S506-L1262 CarbonylContact C-O 3.44Å; S506-L1262 WeakPolarHBondContact CA-O 3.17Å; W507-L1262 PolarHBondContact N-O 3.35Å; K1207-L1262 HydrophobicContact CB-CD2 3.56Å; K1207-L1262 VanDerWaalsContact CB-CD2 3.49Å; K1207-L1262 HydrophobicContact CB-CG 4.27Å; K1207-L1262 HydrophobicContact CD-CD2 4.4Å; F1208-L1262 HydrophobicContact CD1-CD1 4.19Å; F1208-L1262 HydrophobicContact CD1-CD2 3.52Å; F1208-L1262 VanDerWaalsContact CD1-CD2 3.44Å; F1208-L1262 HydrophobicContact CD1-CG 4.44Å; F1208-L1262 HydrophobicContact CE1-CD1 4.38Å; F1208-L1262 HydrophobicContact CE1-CD2 3.67Å; F1208-L1262 HydrophobicContact CG-CD2 4.34Å; F1208-L1262 HydrophobicContact CZ-CD2 4.34Å; A1211-L1262 HydrophobicContact CB-CD1 3.56Å; A1211-L1262 VanDerWaalsContact CB-CD1 3.44Å; A1211-L1262 HydrophobicContact CB-CG 4.32Å; F1221-L1262 HydrophobicContact CE1-CD1 4.21Å; F1221-L1262 HydrophobicContact CE2-CD1 4.05Å; F1221-L1262 HydrophobicContact CZ-CD1 3.51Å; F1221-L1262 VanDerWaalsContact CZ-CD1 3.45Å; F1260-L1262 PolarHBondContact O-N 3.1Å; L1262-D1266 HydrophobicContact CB-CB 4.3Å; L1262-D1266 HydrophobicContact CD2-CB 3.76Å; L1262-V1267 HydrophobicContact CB-CG2 3.89Å; L1262-V1267 HydrophobicContact CD1-CG2 4.33Å |
| 1263 | S | 80.2 | Confident | 76.7 | Confident | 30.2 Ų | 30.2 | 48 Ų | 48 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 162 | 169.2 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | L1265 D1266 V1267 | S1263-L1265 PolarHBondContact O-N 3.08Å; S1263-L1265 VanDerWaalsContact O-N 3.15Å; S1263-D1266 WeakPolarHBondContact CB-OD2 3.4Å; S1263-D1266 PolarHBondContact N-OD2 3.27Å; S1263-D1266 VanDerWaalsContact N-OD2 3.07Å; S1263-D1266 WeakPolarHBondContact O-CB 3.41Å; S1263-D1266 PolarHBondContact O-N 3.09Å; S1263-D1266 VanDerWaalsContact O-N 3.08Å; S1263-D1266 PolarHBondContact OG-N 3.2Å; S1263-D1266 VanDerWaalsContact OG-N 3.12Å; S1263-D1266 PolarHBondContact OG-OD1 3.38Å; S1263-D1266 PolarHBondContact OG-OD2 3.08Å; S1263-V1267 PolarHBondContact O-N 3.18Å; S1263-V1267 VanDerWaalsContact O-N 3.1Å |
| 1264 | C | 80.7 | Confident | 77.2 | Confident | 68.6 Ų | 68.6 | 47.1 Ų | 47.1 | 46% | 0.464 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -34.6 | 173.7 | -134.4 | 0 | 0 | 0 | 0 | 111.9 | W507 V1267 T1268 | W507-C1264 HydrophobicContact CB-CB 4.05Å; C1264-V1267 PolarHBondContact O-N 3.35Å; C1264-T1268 VanDerWaalsContact O-CB 3.31Å; C1264-T1268 WeakPolarHBondContact O-CB 3.32Å; C1264-T1268 PolarHBondContact O-N 3.15Å; C1264-T1268 PolarHBondContact O-OG1 3.32Å |
| 1265 | L | 81.6 | Confident | 77.6 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 174.2 | -179.1 | 67.6 | 0 | 0 | 0 | 111.5 | V494 P522 S1263 V1267 T1268 L1269 | V494-L1265 HydrophobicContact CB-CD2 4.37Å; V494-L1265 HydrophobicContact CG1-CD2 4.09Å; P522-L1265 HydrophobicContact CB-CD1 4.14Å; S1263-L1265 PolarHBondContact O-N 3.08Å; S1263-L1265 VanDerWaalsContact O-N 3.15Å; L1265-V1267 VanDerWaalsContact C-N 3.33Å; L1265-V1267 PolarHBondContact O-N 3.16Å; L1265-T1268 VanDerWaalsContact CA-OG1 3.27Å; L1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; L1265-T1268 PolarHBondContact O-N 3.07Å; L1265-T1268 VanDerWaalsContact O-N 3.15Å; L1265-T1268 PolarHBondContact O-OG1 2.77Å; L1265-L1269 HydrophobicContact CD1-CD1 4.23Å; L1265-L1269 HydrophobicContact CD1-CD2 4.17Å; L1265-L1269 HydrophobicContact CD1-CG 4.13Å; L1265-L1269 HydrophobicContact CD2-CD1 4.45Å; L1265-L1269 HydrophobicContact CG-CD1 4.02Å; L1265-L1269 HydrophobicContact CG-CG 4.26Å; L1265-L1269 WeakPolarHBondContact O-CB 3.37Å; L1265-L1269 VanDerWaalsContact O-CG 3.28Å; L1265-L1269 WeakPolarHBondContact O-CG 3.43Å; L1265-L1269 PolarHBondContact O-N 3.24Å |
| 1266 | D | 84.1 | Confident | 78.6 | Confident | 5.4 Ų | 5.4 | 44.5 Ų | 44.5 | 3% | 0.029 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | -179.7 | -59.2 | -41.6 | 0 | 0 | 0 | 111.1 | H495 R1204 K1207 F1208 L1262 S1263 L1269 L1270 | H495-D1266 IonicContact CE1-OD1 3.31Å; R1204-D1266 IonicContact CZ-OD1 3.55Å; R1204-D1266 VanDerWaalsContact CZ-OD1 3.23Å; R1204-D1266 IonicContact NE-OD1 3.21Å; R1204-D1266 PolarHBondContact NE-OD1 2.98Å; R1204-D1266 IonicContact NH2-OD1 3.07Å; R1204-D1266 PolarHBondContact NH2-OD1 3.14Å; R1204-D1266 VanDerWaalsContact NH2-OD1 3.08Å; K1207-D1266 IonicContact NZ-OD2 3.95Å; K1207-D1266 PolarHBondContact NZ-OD2 2.93Å; K1207-D1266 VanDerWaalsContact NZ-OD2 3.11Å; F1208-D1266 HydrophobicContact CE1-CB 4.09Å; F1208-D1266 VanDerWaalsContact CE1-O 3.32Å; F1208-D1266 WeakPolarHBondContact CE1-O 3.29Å; F1208-D1266 HydrophobicContact CZ-CB 4.19Å; F1208-D1266 VanDerWaalsContact CZ-O 3.26Å; F1208-D1266 WeakPolarHBondContact CZ-O 3.42Å; L1262-D1266 HydrophobicContact CB-CB 4.3Å; L1262-D1266 HydrophobicContact CD2-CB 3.76Å; S1263-D1266 WeakPolarHBondContact CB-OD2 3.4Å; S1263-D1266 PolarHBondContact N-OD2 3.27Å; S1263-D1266 VanDerWaalsContact N-OD2 3.07Å; S1263-D1266 WeakPolarHBondContact O-CB 3.41Å; S1263-D1266 PolarHBondContact O-N 3.09Å; S1263-D1266 VanDerWaalsContact O-N 3.08Å; S1263-D1266 PolarHBondContact OG-N 3.2Å; S1263-D1266 VanDerWaalsContact OG-N 3.12Å; S1263-D1266 PolarHBondContact OG-OD1 3.38Å; S1263-D1266 PolarHBondContact OG-OD2 3.08Å; D1266-L1269 PolarHBondContact O-N 3.14Å; D1266-L1270 WeakPolarHBondContact O-CB 3.42Å; D1266-L1270 PolarHBondContact O-N 2.95Å; D1266-L1270 VanDerWaalsContact O-N 3.09Å |
| 1267 | V | 86.1 | Confident | 79.8 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.2 | 178.5 | 0 | 0 | 0 | 0 | 111 | W507 M512 F1221 T1225 L1262 S1263 C1264 L1265 L1269 L1270 L1271 | W507-V1267 HydrophobicContact CB-CG2 4.23Å; W507-V1267 HydrophobicContact CD2-CG2 3.97Å; W507-V1267 HydrophobicContact CG-CG2 3.72Å; M512-V1267 HydrophobicContact CE-CG1 3.99Å; M512-V1267 HydrophobicContact SD-CG1 3.94Å; F1221-V1267 HydrophobicContact CZ-CG2 4.46Å; T1225-V1267 HydrophobicContact CG2-CG1 3.65Å; T1225-V1267 VanDerWaalsContact CG2-CG1 3.43Å; L1262-V1267 HydrophobicContact CB-CG2 3.89Å; L1262-V1267 HydrophobicContact CD1-CG2 4.33Å; S1263-V1267 PolarHBondContact O-N 3.18Å; S1263-V1267 VanDerWaalsContact O-N 3.1Å; C1264-V1267 PolarHBondContact O-N 3.35Å; L1265-V1267 VanDerWaalsContact C-N 3.33Å; L1265-V1267 PolarHBondContact O-N 3.16Å; V1267-L1269 PolarHBondContact O-N 3.19Å; V1267-L1270 PolarHBondContact O-N 3.11Å; V1267-L1271 HydrophobicContact CG1-CD1 3.9Å; V1267-L1271 HydrophobicContact CG1-CG 4.31Å; V1267-L1271 WeakPolarHBondContact O-CG 3.27Å; V1267-L1271 PolarHBondContact O-N 3.2Å |
| 1268 | T | 84.9 | Confident | 81.2 | Confident | 41 Ų | 41 | 35.6 Ų | 35.6 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 179.1 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | L521 P522 C1264 L1265 L1270 L1271 V1272 | L521-T1268 HydrophobicContact CB-CG2 3.78Å; L521-T1268 HydrophobicContact CD2-CG2 4.28Å; L521-T1268 HydrophobicContact CG-CG2 4.46Å; P522-T1268 HydrophobicContact CG-CG2 4.14Å; P522-T1268 WeakPolarHBondContact CG-OG1 3.2Å; P522-T1268 WeakPolarHBondContact O-CG2 3.38Å; C1264-T1268 VanDerWaalsContact O-CB 3.31Å; C1264-T1268 WeakPolarHBondContact O-CB 3.32Å; C1264-T1268 PolarHBondContact O-N 3.15Å; C1264-T1268 PolarHBondContact O-OG1 3.32Å; L1265-T1268 VanDerWaalsContact CA-OG1 3.27Å; L1265-T1268 WeakPolarHBondContact CA-OG1 3.45Å; L1265-T1268 PolarHBondContact O-N 3.07Å; L1265-T1268 VanDerWaalsContact O-N 3.15Å; L1265-T1268 PolarHBondContact O-OG1 2.77Å; T1268-L1270 VanDerWaalsContact C-N 3.28Å; T1268-L1270 PolarHBondContact O-N 3.18Å; T1268-L1271 PolarHBondContact O-N 3.19Å; T1268-V1272 HydrophobicContact CG2-CG2 4.15Å; T1268-V1272 VanDerWaalsContact O-CB 3.27Å; T1268-V1272 WeakPolarHBondContact O-CB 3.3Å; T1268-V1272 VanDerWaalsContact O-CG2 3.27Å; T1268-V1272 WeakPolarHBondContact O-CG2 3.29Å; T1268-V1272 PolarHBondContact O-N 3.05Å |
| 1269 | L | 85.5 | Confident | 82.3 | Confident | 49.6 Ų | 49.6 | 31.2 Ų | 31.2 | 26% | 0.26 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.6 | -41.3 | 177.5 | -73.2 | 173.5 | 0 | 0 | 0 | 111.6 | T491 R527 R1204 L1265 D1266 V1267 S1273 | T491-L1269 HydrophobicContact CG2-CD2 3.93Å; R527-L1269 HydrophobicContact CB-CD2 3.85Å; R527-L1269 HydrophobicContact CG-CD2 3.83Å; R1204-L1269 VanDerWaalsContact CZ-CD1 3.49Å; L1265-L1269 HydrophobicContact CD1-CD1 4.23Å; L1265-L1269 HydrophobicContact CD1-CD2 4.17Å; L1265-L1269 HydrophobicContact CD1-CG 4.13Å; L1265-L1269 HydrophobicContact CD2-CD1 4.45Å; L1265-L1269 HydrophobicContact CG-CD1 4.02Å; L1265-L1269 HydrophobicContact CG-CG 4.26Å; L1265-L1269 WeakPolarHBondContact O-CB 3.37Å; L1265-L1269 VanDerWaalsContact O-CG 3.28Å; L1265-L1269 WeakPolarHBondContact O-CG 3.43Å; L1265-L1269 PolarHBondContact O-N 3.24Å; D1266-L1269 PolarHBondContact O-N 3.14Å; V1267-L1269 PolarHBondContact O-N 3.19Å; L1269-S1273 VanDerWaalsContact O-CB 3.27Å; L1269-S1273 WeakPolarHBondContact O-CB 3.37Å; L1269-S1273 PolarHBondContact O-N 2.97Å; L1269-S1273 PolarHBondContact O-OG 3.12Å; L1269-S1273 VanDerWaalsContact O-OG 3.06Å |
| 1270 | L | 86.9 | Confident | 83.2 | Confident | 11.6 Ų | 11.6 | 26.5 Ų | 26.5 | 6% | 0.061 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -50.4 | 176.8 | -174.8 | 74 | 0 | 0 | 0 | 111.8 | L572 F1208 F1212 L1218 F1221 D1266 V1267 T1268 V1272 S1273 H1274 | L572-L1270 HydrophobicContact CD2-CD1 3.8Å; F1208-L1270 HydrophobicContact CD1-CD1 4.33Å; F1208-L1270 HydrophobicContact CD1-CD2 4.18Å; F1208-L1270 HydrophobicContact CE1-CB 3.91Å; F1208-L1270 HydrophobicContact CE1-CD1 4.25Å; F1208-L1270 HydrophobicContact CE1-CD2 4.22Å; F1208-L1270 HydrophobicContact CE1-CG 4.34Å; F1208-L1270 HydrophobicContact CE2-CB 4.48Å; F1208-L1270 HydrophobicContact CE2-CD1 4.42Å; F1208-L1270 HydrophobicContact CZ-CB 4.09Å; F1208-L1270 HydrophobicContact CZ-CD1 4.46Å; F1212-L1270 HydrophobicContact CE1-CD1 4.25Å; F1212-L1270 HydrophobicContact CE1-CD2 3.62Å; F1212-L1270 VanDerWaalsContact CE1-CD2 3.49Å; F1212-L1270 HydrophobicContact CZ-CD1 3.75Å; F1212-L1270 HydrophobicContact CZ-CD2 3.92Å; F1212-L1270 HydrophobicContact CZ-CG 4.42Å; L1218-L1270 HydrophobicContact CD1-CD1 4.09Å; L1218-L1270 HydrophobicContact CD1-CD2 3.96Å; L1218-L1270 HydrophobicContact CD1-CG 4.34Å; F1221-L1270 HydrophobicContact CD1-CD2 3.52Å; F1221-L1270 VanDerWaalsContact CD1-CD2 3.46Å; F1221-L1270 HydrophobicContact CE1-CD2 3.39Å; F1221-L1270 HydrophobicContact CZ-CD2 4.34Å; D1266-L1270 WeakPolarHBondContact O-CB 3.42Å; D1266-L1270 PolarHBondContact O-N 2.95Å; D1266-L1270 VanDerWaalsContact O-N 3.09Å; V1267-L1270 PolarHBondContact O-N 3.11Å; T1268-L1270 VanDerWaalsContact C-N 3.28Å; T1268-L1270 PolarHBondContact O-N 3.18Å; L1270-V1272 VanDerWaalsContact C-N 3.32Å; L1270-V1272 PolarHBondContact O-N 3.07Å; L1270-S1273 WeakPolarHBondContact CA-OG 3.38Å; L1270-S1273 PolarHBondContact O-N 3.12Å; L1270-S1273 VanDerWaalsContact O-N 3.16Å; L1270-S1273 PolarHBondContact O-OG 3.13Å; L1270-H1274 PolarHBondContact O-N 3.26Å; L1270-H1274 VanDerWaalsContact O-N 3.12Å |
| 1271 | L | 88 | Confident | 84 | Confident | 1.8 Ų | 1.8 | 25.7 Ų | 25.7 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | -176.7 | -65.9 | 174.4 | 0 | 0 | 0 | 112.3 | M512 I1222 T1225 L1226 I1229 V1267 T1268 S1273 H1274 S1277 S1278 L1281 | M512-L1271 HydrophobicContact CE-CD1 3.66Å; I1222-L1271 HydrophobicContact CB-CD2 4.44Å; I1222-L1271 HydrophobicContact CG1-CD2 4.29Å; I1222-L1271 HydrophobicContact CG2-CD2 4.14Å; T1225-L1271 HydrophobicContact CG2-CD1 3.81Å; T1225-L1271 HydrophobicContact CG2-CD2 4.31Å; T1225-L1271 HydrophobicContact CG2-CG 4.39Å; T1225-L1271 WeakPolarHBondContact OG1-CD2 3.43Å; L1226-L1271 HydrophobicContact CD2-CD2 4.38Å; L1226-L1271 HydrophobicContact CG-CD2 4.29Å; I1229-L1271 HydrophobicContact CD1-CD1 4.2Å; V1267-L1271 HydrophobicContact CG1-CD1 3.9Å; V1267-L1271 HydrophobicContact CG1-CG 4.31Å; V1267-L1271 WeakPolarHBondContact O-CG 3.27Å; V1267-L1271 PolarHBondContact O-N 3.2Å; T1268-L1271 PolarHBondContact O-N 3.19Å; L1271-S1273 VanDerWaalsContact C-N 3.34Å; L1271-H1274 PolarHBondContact O-N 3.39Å; L1271-H1274 VanDerWaalsContact O-O 3.13Å; L1271-S1277 CarbonylContact O-C 3.46Å; L1271-S1277 WeakPolarHBondContact O-CB 3.43Å; L1271-S1277 PolarHBondContact O-OG 3.28Å; L1271-S1278 WeakPolarHBondContact O-CA 3.34Å; L1271-S1278 PolarHBondContact O-N 3.12Å; L1271-S1278 VanDerWaalsContact O-N 3.1Å; L1271-L1281 HydrophobicContact CB-CD1 3.46Å; L1271-L1281 VanDerWaalsContact CB-CD1 3.44Å; L1271-L1281 HydrophobicContact CB-CG 4.49Å; L1271-L1281 HydrophobicContact CD1-CD1 3.85Å; L1271-L1281 HydrophobicContact CD1-CD2 4.44Å; L1271-L1281 HydrophobicContact CG-CD1 4.26Å |
| 1272 | V | 86.6 | Confident | 84.6 | Confident | 35.2 Ų | 35.2 | 23.3 Ų | 23.3 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.5 | -32.8 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | E524 R527 Q528 T1268 L1270 H1274 S1278 F1301 H1309 | E524-V1272 HydrophobicContact CB-CG2 4.22Å; E524-V1272 HydrophobicContact CG-CG1 4.32Å; E524-V1272 HydrophobicContact CG-CG2 4.03Å; R527-V1272 HydrophobicContact CB-CG1 4.21Å; R527-V1272 HydrophobicContact CG-CG1 4.19Å; Q528-V1272 HydrophobicContact CB-CG1 4.48Å; Q528-V1272 HydrophobicContact CG-CG1 3.21Å; T1268-V1272 HydrophobicContact CG2-CG2 4.15Å; T1268-V1272 VanDerWaalsContact O-CB 3.27Å; T1268-V1272 WeakPolarHBondContact O-CB 3.3Å; T1268-V1272 VanDerWaalsContact O-CG2 3.27Å; T1268-V1272 WeakPolarHBondContact O-CG2 3.29Å; T1268-V1272 PolarHBondContact O-N 3.05Å; L1270-V1272 VanDerWaalsContact C-N 3.32Å; L1270-V1272 PolarHBondContact O-N 3.07Å; V1272-H1274 VanDerWaalsContact C-N 3.31Å; V1272-H1274 PolarHBondContact O-N 2.84Å; V1272-S1278 VanDerWaalsContact O-CB 3.3Å; V1272-S1278 WeakPolarHBondContact O-CB 3.31Å; V1272-S1278 PolarHBondContact O-OG 3.23Å; V1272-S1278 VanDerWaalsContact O-OG 3.08Å; V1272-F1301 HydrophobicContact CG1-CE2 4.24Å; V1272-F1301 HydrophobicContact CG2-CE2 4.2Å; V1272-F1301 HydrophobicContact CG2-CZ 4.06Å; V1272-H1309 PolarHBondContact O-NE2 3.07Å |
| 1273 | S | 83.4 | Confident | 85.1 | Confident | 44.4 Ų | 44.4 | 21.9 Ų | 21.9 | 31% | 0.31 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -75.2 | -17.4 | 177.3 | 24.9 | 0 | 0 | 0 | 0 | 114.3 | R527 F531 L1269 L1270 L1271 H1309 | R527-S1273 PolarHBondContact NE-OG 3.14Å; R527-S1273 PolarHBondContact NH2-OG 2.74Å; R527-S1273 VanDerWaalsContact NH2-OG 3.15Å; F531-S1273 WeakPolarHBondContact CE2-OG 3.41Å; F531-S1273 WeakPolarHBondContact CZ-OG 3.48Å; L1269-S1273 VanDerWaalsContact O-CB 3.27Å; L1269-S1273 WeakPolarHBondContact O-CB 3.37Å; L1269-S1273 PolarHBondContact O-N 2.97Å; L1269-S1273 PolarHBondContact O-OG 3.12Å; L1269-S1273 VanDerWaalsContact O-OG 3.06Å; L1270-S1273 WeakPolarHBondContact CA-OG 3.38Å; L1270-S1273 PolarHBondContact O-N 3.12Å; L1270-S1273 VanDerWaalsContact O-N 3.16Å; L1270-S1273 PolarHBondContact O-OG 3.13Å; L1271-S1273 VanDerWaalsContact C-N 3.34Å; S1273-H1309 PolarHBondContact O-CE1 3.15Å; S1273-H1309 VanDerWaalsContact O-CE1 3.24Å |
| 1274 | H | 83.6 | Confident | 85.5 | Confident | 26.2 Ų | 26.2 | 20.6 Ų | 20.6 | 12% | 0.121 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -99.5 | 129.5 | 178.2 | 175.7 | -82.2 | 0 | 0 | 0 | 110.8 | L572 I1222 L1270 L1271 V1272 V1276 S1277 S1278 | L572-H1274 HydrophobicContact CD2-CB 4.07Å; I1222-H1274 HydrophobicContact CD1-CB 3.75Å; I1222-H1274 VanDerWaalsContact CD1-CD2 3.45Å; I1222-H1274 WeakPolarHBondContact CD1-CD2 3.46Å; I1222-H1274 VanDerWaalsContact CD1-CG 3.42Å; I1222-H1274 VanDerWaalsContact CD1-ND1 3.31Å; I1222-H1274 WeakPolarHBondContact CD1-ND1 3.37Å; L1270-H1274 PolarHBondContact O-N 3.26Å; L1270-H1274 VanDerWaalsContact O-N 3.12Å; L1271-H1274 PolarHBondContact O-N 3.39Å; L1271-H1274 VanDerWaalsContact O-O 3.13Å; V1272-H1274 VanDerWaalsContact C-N 3.31Å; V1272-H1274 PolarHBondContact O-N 2.84Å; H1274-V1276 PolarHBondContact ND1-N 3.17Å; H1274-V1276 PolarHBondContact O-N 2.8Å; H1274-S1277 VanDerWaalsContact CB-OG 3.26Å; H1274-S1277 WeakPolarHBondContact CB-OG 3.39Å; H1274-S1277 PolarHBondContact ND1-N 3.31Å; H1274-S1277 PolarHBondContact ND1-OG 3.22Å; H1274-S1277 VanDerWaalsContact ND1-OG 3.11Å; H1274-S1277 PolarHBondContact O-N 3.14Å; H1274-S1277 PolarHBondContact O-OG 3.17Å; H1274-S1277 VanDerWaalsContact O-OG 3.06Å; H1274-S1278 VanDerWaalsContact O-CB 3.24Å; H1274-S1278 WeakPolarHBondContact O-CB 3.29Å; H1274-S1278 PolarHBondContact O-N 3.2Å |
| 1275 | P | 79.6 | Confident | 85.9 | Confident | 12.4 Ų | 12.4 | 18.7 Ų | 18.7 | 8% | 0.081 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | -166.2 | 21.3 | -33.6 | 0 | 0 | 0 | 113.3 | F451 S1278 F1279 H1309 F1381 | F451-P1275 HydrophobicContact CB-CB 4.49Å; F451-P1275 HydrophobicContact CB-CG 4.2Å; P1275-S1278 PolarHBondContact O-N 2.93Å; P1275-F1279 WeakPolarHBondContact O-CB 3.42Å; P1275-F1279 PolarHBondContact O-N 3.17Å; P1275-H1309 HydrophobicContact CB-CB 3.93Å; P1275-F1381 HydrophobicContact CB-CE2 4.26Å; P1275-F1381 HydrophobicContact CB-CZ 3.91Å |
| 1276 | V | 80.3 | Confident | 86.3 | Confident | 25.8 Ų | 25.8 | 15.2 Ų | 15.2 | 16% | 0.156 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68 | -43.6 | -176.7 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | H1274 F1279 V1280 W1316 T1383 Y1385 | H1274-V1276 PolarHBondContact ND1-N 3.17Å; H1274-V1276 PolarHBondContact O-N 2.8Å; V1276-F1279 PolarHBondContact O-N 3.14Å; V1276-V1280 HydrophobicContact CG1-CG2 4.39Å; V1276-V1280 WeakPolarHBondContact O-CB 3.37Å; V1276-V1280 VanDerWaalsContact O-CG2 3.26Å; V1276-V1280 WeakPolarHBondContact O-CG2 3.34Å; V1276-V1280 PolarHBondContact O-N 3.05Å; V1276-W1316 HydrophobicContact CG2-CH2 4.47Å; V1276-W1316 HydrophobicContact CG2-CZ3 4.18Å; V1276-T1383 HydrophobicContact CG1-CG2 4.09Å; V1276-T1383 HydrophobicContact CG2-CG2 4.1Å; V1276-Y1385 HydrophobicContact CG1-CD2 3.9Å; V1276-Y1385 HydrophobicContact CG1-CE2 3.75Å; V1276-Y1385 VanDerWaalsContact CG1-CE2 3.44Å |
| 1277 | S | 85.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.3 | -39.5 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 111.9 | L1271 H1274 F1279 V1280 L1281 | L1271-S1277 CarbonylContact O-C 3.46Å; L1271-S1277 WeakPolarHBondContact O-CB 3.43Å; L1271-S1277 PolarHBondContact O-OG 3.28Å; H1274-S1277 VanDerWaalsContact CB-OG 3.26Å; H1274-S1277 WeakPolarHBondContact CB-OG 3.39Å; H1274-S1277 PolarHBondContact ND1-N 3.31Å; H1274-S1277 PolarHBondContact ND1-OG 3.22Å; H1274-S1277 VanDerWaalsContact ND1-OG 3.11Å; H1274-S1277 PolarHBondContact O-N 3.14Å; H1274-S1277 PolarHBondContact O-OG 3.17Å; H1274-S1277 VanDerWaalsContact O-OG 3.06Å; S1277-F1279 VanDerWaalsContact C-N 3.3Å; S1277-F1279 PolarHBondContact O-N 3.12Å; S1277-V1280 PolarHBondContact O-N 3.11Å; S1277-L1281 WeakPolarHBondContact O-CB 3.44Å; S1277-L1281 VanDerWaalsContact O-CG 3.23Å; S1277-L1281 WeakPolarHBondContact O-CG 3.35Å; S1277-L1281 PolarHBondContact O-N 3.15Å |
| 1278 | S | 87.8 | Confident | 86.7 | Confident | 0.6 Ų | 0.6 | 21.6 Ų | 21.6 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | Q528 L1271 V1272 H1274 P1275 S1282 S1305 | Q528-S1278 PolarHBondContact NE2-OG 3.28Å; L1271-S1278 WeakPolarHBondContact O-CA 3.34Å; L1271-S1278 PolarHBondContact O-N 3.12Å; L1271-S1278 VanDerWaalsContact O-N 3.1Å; V1272-S1278 VanDerWaalsContact O-CB 3.3Å; V1272-S1278 WeakPolarHBondContact O-CB 3.31Å; V1272-S1278 PolarHBondContact O-OG 3.23Å; V1272-S1278 VanDerWaalsContact O-OG 3.08Å; H1274-S1278 VanDerWaalsContact O-CB 3.24Å; H1274-S1278 WeakPolarHBondContact O-CB 3.29Å; H1274-S1278 PolarHBondContact O-N 3.2Å; P1275-S1278 PolarHBondContact O-N 2.93Å; S1278-S1282 WeakPolarHBondContact O-CB 3.29Å; S1278-S1282 PolarHBondContact O-N 3.04Å; S1278-S1282 PolarHBondContact O-OG 3.1Å; S1278-S1305 VanDerWaalsContact CB-OG 3.29Å; S1278-S1305 WeakPolarHBondContact CB-OG 3.33Å; S1278-S1305 VanDerWaalsContact OG-CB 3.28Å; S1278-S1305 WeakPolarHBondContact OG-CB 3.38Å; S1278-S1305 PolarHBondContact OG-OG 3.26Å |
| 1279 | F | 86.4 | Confident | 86.9 | Confident | 6.8 Ų | 6.8 | 20.4 Ų | 20.4 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.4 | -55.9 | 173.9 | -178.6 | -114 | 0 | 0 | 0 | 111.8 | P1275 V1276 S1277 L1281 S1282 L1283 L1302 S1305 L1306 W1341 I1379 P1380 F1386 | P1275-F1279 WeakPolarHBondContact O-CB 3.42Å; P1275-F1279 PolarHBondContact O-N 3.17Å; V1276-F1279 PolarHBondContact O-N 3.14Å; S1277-F1279 VanDerWaalsContact C-N 3.3Å; S1277-F1279 PolarHBondContact O-N 3.12Å; F1279-L1281 VanDerWaalsContact C-N 3.32Å; F1279-L1281 PolarHBondContact O-N 3.14Å; F1279-S1282 PolarHBondContact O-N 3.2Å; F1279-S1282 VanDerWaalsContact O-N 3.08Å; F1279-S1282 PolarHBondContact O-OG 3.22Å; F1279-L1283 HydrophobicContact CD1-CD1 4.16Å; F1279-L1283 HydrophobicContact CE1-CD1 3.67Å; F1279-L1283 HydrophobicContact CE1-CG 4.43Å; F1279-L1283 HydrophobicContact CE2-CD1 4.37Å; F1279-L1283 HydrophobicContact CE2-CD2 4.27Å; F1279-L1283 HydrophobicContact CE2-CG 4.42Å; F1279-L1283 HydrophobicContact CZ-CD1 3.78Å; F1279-L1283 HydrophobicContact CZ-CD2 4.31Å; F1279-L1283 HydrophobicContact CZ-CG 4.3Å; F1279-L1283 WeakPolarHBondContact O-CG 3.38Å; F1279-L1283 PolarHBondContact O-N 3.25Å; F1279-L1283 VanDerWaalsContact O-N 3.09Å; F1279-L1302 HydrophobicContact CD2-CD1 3.71Å; F1279-L1302 HydrophobicContact CE2-CD1 3.67Å; F1279-S1305 PolarHBondContact N-OG 2.96Å; F1279-L1306 HydrophobicContact CD2-CD1 4.35Å; F1279-L1306 HydrophobicContact CD2-CD2 4.02Å; F1279-L1306 HydrophobicContact CD2-CG 4.22Å; F1279-L1306 HydrophobicContact CE2-CD1 4.28Å; F1279-L1306 HydrophobicContact CE2-CD2 4.28Å; F1279-L1306 HydrophobicContact CE2-CG 4.49Å; F1279-W1341 HydrophobicContact CE1-CB 4.23Å; F1279-W1341 HydrophobicContact CE1-CG 4.45Å; F1279-W1341 HydrophobicContact CZ-CB 3.92Å; F1279-W1341 HydrophobicContact CZ-CD2 4.27Å; F1279-W1341 AromaticContact CZ-CG 3.85Å; F1279-W1341 HydrophobicContact CZ-CG 3.98Å; F1279-I1379 HydrophobicContact CE2-CD1 4.07Å; F1279-I1379 HydrophobicContact CZ-CD1 3.99Å; F1279-P1380 HydrophobicContact CD2-CB 4.32Å; F1279-P1380 HydrophobicContact CD2-CG 4.33Å; F1279-P1380 HydrophobicContact CE1-CB 3.95Å; F1279-P1380 HydrophobicContact CE1-CG 4.14Å; F1279-P1380 HydrophobicContact CE2-CB 3.62Å; F1279-P1380 VanDerWaalsContact CE2-CB 3.48Å; F1279-P1380 HydrophobicContact CE2-CG 3.81Å; F1279-P1380 HydrophobicContact CZ-CB 3.41Å; F1279-P1380 VanDerWaalsContact CZ-CB 3.41Å; F1279-P1380 HydrophobicContact CZ-CG 3.49Å; F1279-P1380 VanDerWaalsContact CZ-CG 3.47Å; F1279-F1386 HydrophobicContact CD1-CD2 4.45Å; F1279-F1386 HydrophobicContact CD1-CE2 4.38Å; F1279-F1386 AromaticContact CE1-CD2 3.94Å; F1279-F1386 HydrophobicContact CE1-CD2 3.94Å; F1279-F1386 AromaticContact CE1-CE2 3.85Å; F1279-F1386 HydrophobicContact CE1-CE2 3.85Å |
| 1280 | V | 87 | Confident | 86.9 | Confident | 0.4 Ų | 0.4 | 22.7 Ų | 22.7 | 0% | 0.002 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 112.3 | L1226 S1231 V1276 S1277 S1282 L1283 S1284 Y1385 F1386 | L1226-V1280 HydrophobicContact CD1-CB 4.42Å; L1226-V1280 HydrophobicContact CD1-CG1 4.25Å; L1226-V1280 HydrophobicContact CD2-CG1 4.34Å; S1231-V1280 WeakPolarHBondContact O-CG1 3.33Å; V1276-V1280 HydrophobicContact CG1-CG2 4.39Å; V1276-V1280 WeakPolarHBondContact O-CB 3.37Å; V1276-V1280 VanDerWaalsContact O-CG2 3.26Å; V1276-V1280 WeakPolarHBondContact O-CG2 3.34Å; V1276-V1280 PolarHBondContact O-N 3.05Å; S1277-V1280 PolarHBondContact O-N 3.11Å; V1280-S1282 PolarHBondContact O-N 2.96Å; V1280-L1283 PolarHBondContact O-N 3.16Å; V1280-S1284 WeakPolarHBondContact O-CB 3.48Å; V1280-S1284 PolarHBondContact O-N 3.23Å; V1280-S1284 PolarHBondContact O-OG 3.13Å; V1280-Y1385 HydrophobicContact CG2-CD2 4.16Å; V1280-Y1385 HydrophobicContact CG2-CE2 4.45Å; V1280-F1386 HydrophobicContact CG2-CE2 4.38Å |
| 1281 | L | 89 | Confident | 86.8 | Confident | 11.6 Ų | 11.6 | 25.5 Ų | 25.5 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 174.6 | -78.8 | 179.8 | 0 | 0 | 0 | 111.4 | I516 L1226 I1229 L1271 S1277 F1279 L1283 S1284 C1285 F1301 | I516-L1281 HydrophobicContact CD1-CD2 4.12Å; L1226-L1281 HydrophobicContact CD2-CD2 3.79Å; L1226-L1281 HydrophobicContact CD2-CG 3.87Å; I1229-L1281 HydrophobicContact CD1-CD2 3.62Å; L1271-L1281 HydrophobicContact CB-CD1 3.46Å; L1271-L1281 VanDerWaalsContact CB-CD1 3.44Å; L1271-L1281 HydrophobicContact CB-CG 4.49Å; L1271-L1281 HydrophobicContact CD1-CD1 3.85Å; L1271-L1281 HydrophobicContact CD1-CD2 4.44Å; L1271-L1281 HydrophobicContact CG-CD1 4.26Å; S1277-L1281 WeakPolarHBondContact O-CB 3.44Å; S1277-L1281 VanDerWaalsContact O-CG 3.23Å; S1277-L1281 WeakPolarHBondContact O-CG 3.35Å; S1277-L1281 PolarHBondContact O-N 3.15Å; F1279-L1281 VanDerWaalsContact C-N 3.32Å; F1279-L1281 PolarHBondContact O-N 3.14Å; L1281-L1283 VanDerWaalsContact C-N 3.29Å; L1281-L1283 PolarHBondContact O-N 3.08Å; L1281-S1284 WeakPolarHBondContact CA-OG 3.31Å; L1281-S1284 CarbonylContact O-C 3.53Å; L1281-S1284 WeakPolarHBondContact O-CA 3.37Å; L1281-S1284 WeakPolarHBondContact O-CB 3.36Å; L1281-S1284 PolarHBondContact O-N 3.1Å; L1281-S1284 VanDerWaalsContact O-N 3.08Å; L1281-S1284 PolarHBondContact O-OG 3.07Å; L1281-C1285 PolarHBondContact O-N 3.06Å; L1281-C1285 PolarHBondContact O-SG 3.12Å; L1281-C1285 VanDerWaalsContact O-SG 3.34Å; L1281-F1301 HydrophobicContact CB-CE1 4.13Å; L1281-F1301 HydrophobicContact CB-CZ 3.94Å |
| 1282 | S | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 179.2 | 71.5 | 0 | 0 | 0 | 0 | 112.3 | S1278 F1279 V1280 S1284 C1285 I1286 F1301 L1302 | S1278-S1282 WeakPolarHBondContact O-CB 3.29Å; S1278-S1282 PolarHBondContact O-N 3.04Å; S1278-S1282 PolarHBondContact O-OG 3.1Å; F1279-S1282 PolarHBondContact O-N 3.2Å; F1279-S1282 VanDerWaalsContact O-N 3.08Å; F1279-S1282 PolarHBondContact O-OG 3.22Å; V1280-S1282 PolarHBondContact O-N 2.96Å; S1282-S1284 VanDerWaalsContact C-N 3.33Å; S1282-S1284 PolarHBondContact O-N 3.32Å; S1282-C1285 PolarHBondContact O-N 3.06Å; S1282-I1286 VanDerWaalsContact O-CG1 3.31Å; S1282-I1286 WeakPolarHBondContact O-CG1 3.43Å; S1282-I1286 PolarHBondContact O-N 3.11Å; S1282-I1286 VanDerWaalsContact O-N 3.08Å; S1282-F1301 VanDerWaalsContact CA-CD1 3.47Å; S1282-F1301 VanDerWaalsContact CA-CE1 3.46Å; S1282-L1302 WeakPolarHBondContact OG-CA 3.5Å; S1282-L1302 VanDerWaalsContact OG-CD1 3.29Å; S1282-L1302 WeakPolarHBondContact OG-CD1 3.39Å |
| 1283 | L | 89.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 173.1 | -59 | -179.3 | 0 | 0 | 0 | 112.2 | F1279 V1280 L1281 C1285 I1286 R1287 L1302 W1341 Y1344 A1345 F1386 | F1279-L1283 HydrophobicContact CD1-CD1 4.16Å; F1279-L1283 HydrophobicContact CE1-CD1 3.67Å; F1279-L1283 HydrophobicContact CE1-CG 4.43Å; F1279-L1283 HydrophobicContact CE2-CD1 4.37Å; F1279-L1283 HydrophobicContact CE2-CD2 4.27Å; F1279-L1283 HydrophobicContact CE2-CG 4.42Å; F1279-L1283 HydrophobicContact CZ-CD1 3.78Å; F1279-L1283 HydrophobicContact CZ-CD2 4.31Å; F1279-L1283 HydrophobicContact CZ-CG 4.3Å; F1279-L1283 WeakPolarHBondContact O-CG 3.38Å; F1279-L1283 PolarHBondContact O-N 3.25Å; F1279-L1283 VanDerWaalsContact O-N 3.09Å; V1280-L1283 PolarHBondContact O-N 3.16Å; L1281-L1283 VanDerWaalsContact C-N 3.29Å; L1281-L1283 PolarHBondContact O-N 3.08Å; L1283-C1285 VanDerWaalsContact C-N 3.31Å; L1283-C1285 PolarHBondContact O-N 3.14Å; L1283-I1286 HydrophobicContact CD2-CD1 4.42Å; L1283-I1286 WeakPolarHBondContact O-CB 3.33Å; L1283-I1286 PolarHBondContact O-N 3.11Å; L1283-R1287 WeakPolarHBondContact O-CB 3.41Å; L1283-R1287 PolarHBondContact O-N 3.29Å; L1283-L1302 HydrophobicContact CD2-CD1 4.06Å; L1283-L1302 HydrophobicContact CD2-CD2 4.35Å; L1283-W1341 HydrophobicContact CD1-CB 3.81Å; L1283-W1341 HydrophobicContact CD2-CD2 4.48Å; L1283-W1341 HydrophobicContact CD2-CE3 3.59Å; L1283-W1341 HydrophobicContact CD2-CZ3 4.17Å; L1283-Y1344 HydrophobicContact CB-CD1 3.85Å; L1283-Y1344 HydrophobicContact CB-CE1 3.93Å; L1283-Y1344 HydrophobicContact CD1-CD1 4.1Å; L1283-A1345 HydrophobicContact CB-CB 4.38Å; L1283-A1345 HydrophobicContact CD2-CB 4.14Å; L1283-F1386 HydrophobicContact CD1-CE2 3.71Å; L1283-F1386 HydrophobicContact CD1-CZ 3.79Å |
| 1284 | S | 89.1 | Confident | 87 | Confident | 1.2 Ų | 1.2 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -36.1 | 177.8 | 37.1 | 0 | 0 | 0 | 0 | 112.1 | S1231 V1280 L1281 S1282 R1287 R1288 Y1344 | S1231-S1284 WeakPolarHBondContact CB-OG 3.35Å; S1231-S1284 WeakPolarHBondContact OG-CB 3.25Å; S1231-S1284 PolarHBondContact OG-OG 3.24Å; V1280-S1284 WeakPolarHBondContact O-CB 3.48Å; V1280-S1284 PolarHBondContact O-N 3.23Å; V1280-S1284 PolarHBondContact O-OG 3.13Å; L1281-S1284 WeakPolarHBondContact CA-OG 3.31Å; L1281-S1284 CarbonylContact O-C 3.53Å; L1281-S1284 WeakPolarHBondContact O-CA 3.37Å; L1281-S1284 WeakPolarHBondContact O-CB 3.36Å; L1281-S1284 PolarHBondContact O-N 3.1Å; L1281-S1284 VanDerWaalsContact O-N 3.08Å; L1281-S1284 PolarHBondContact O-OG 3.07Å; S1282-S1284 VanDerWaalsContact C-N 3.33Å; S1282-S1284 PolarHBondContact O-N 3.32Å; S1284-R1287 PolarHBondContact O-N 3.15Å; S1284-R1288 WeakPolarHBondContact O-CB 3.27Å; S1284-R1288 WeakPolarHBondContact O-CG 3.35Å; S1284-R1288 PolarHBondContact O-N 3.16Å; S1284-Y1344 PolarHBondContact OG-OH 3.24Å |
| 1285 | C | 90.3 | Very high | 87.3 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 172.2 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | A519 L1281 S1282 L1283 R1287 R1288 A1289 S1298 F1301 | A519-C1285 HydrophobicContact CB-CB 4.46Å; L1281-C1285 PolarHBondContact O-N 3.06Å; L1281-C1285 PolarHBondContact O-SG 3.12Å; L1281-C1285 VanDerWaalsContact O-SG 3.34Å; S1282-C1285 PolarHBondContact O-N 3.06Å; L1283-C1285 VanDerWaalsContact C-N 3.31Å; L1283-C1285 PolarHBondContact O-N 3.14Å; C1285-R1287 VanDerWaalsContact C-N 3.34Å; C1285-R1287 PolarHBondContact O-N 3.19Å; C1285-R1288 PolarHBondContact O-N 3.1Å; C1285-A1289 WeakPolarHBondContact O-CB 3.38Å; C1285-A1289 PolarHBondContact O-N 2.99Å; C1285-S1298 VanDerWaalsContact C-OG 3.31Å; C1285-S1298 VanDerWaalsContact CB-OG 3.3Å; C1285-S1298 WeakPolarHBondContact CB-OG 3.37Å; C1285-S1298 PolarHBondContact O-OG 3.33Å; C1285-F1301 HydrophobicContact CB-CD1 4.44Å |
| 1286 | I | 90.1 | Very high | 87.7 | Confident | 0.2 Ų | 0.2 | 34.9 Ų | 34.9 | 0% | 0.001 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 174.6 | -68 | 165.5 | 0 | 0 | 0 | 110.6 | S1282 L1283 R1288 A1289 L1295 L1299 L1302 A1345 L1347 R1349 | S1282-I1286 VanDerWaalsContact O-CG1 3.31Å; S1282-I1286 WeakPolarHBondContact O-CG1 3.43Å; S1282-I1286 PolarHBondContact O-N 3.11Å; S1282-I1286 VanDerWaalsContact O-N 3.08Å; L1283-I1286 HydrophobicContact CD2-CD1 4.42Å; L1283-I1286 WeakPolarHBondContact O-CB 3.33Å; L1283-I1286 PolarHBondContact O-N 3.11Å; I1286-R1288 VanDerWaalsContact C-N 3.32Å; I1286-R1288 PolarHBondContact O-N 3.12Å; I1286-A1289 WeakPolarHBondContact O-CB 3.33Å; I1286-A1289 PolarHBondContact O-N 3.16Å; I1286-L1295 HydrophobicContact CB-CD1 4.44Å; I1286-L1295 HydrophobicContact CG2-CD1 3.86Å; I1286-L1299 HydrophobicContact CD1-CD2 3.82Å; I1286-L1299 HydrophobicContact CG1-CD2 4.18Å; I1286-L1302 HydrophobicContact CD1-CB 4.13Å; I1286-L1302 HydrophobicContact CD1-CD2 3.68Å; I1286-L1302 HydrophobicContact CD1-CG 4.45Å; I1286-A1345 HydrophobicContact CB-CB 4.46Å; I1286-A1345 HydrophobicContact CG2-CB 4.06Å; I1286-L1347 HydrophobicContact CG2-CD2 3.76Å; I1286-R1349 PolarHBondContact O-NH2 3.15Å |
| 1287 | R | 89.3 | Confident | 88.1 | Confident | 64.4 Ų | 64.4 | 37.4 Ų | 37.4 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | 178.7 | -174.9 | 177 | 65.3 | 160.1 | -0.4 | 111.8 | D1230 L1283 S1284 C1285 Y1344 Q1346 R1349 | D1230-R1287 PolarHBondContact O-NH2 3.04Å; L1283-R1287 WeakPolarHBondContact O-CB 3.41Å; L1283-R1287 PolarHBondContact O-N 3.29Å; S1284-R1287 PolarHBondContact O-N 3.15Å; C1285-R1287 VanDerWaalsContact C-N 3.34Å; C1285-R1287 PolarHBondContact O-N 3.19Å; R1287-Y1344 WeakPolarHBondContact CD-O 3.25Å; R1287-Y1344 VanDerWaalsContact NH1-CE2 3.34Å; R1287-Y1344 PolarHBondContact NH2-OH 2.97Å; R1287-Q1346 HydrophobicContact CG-CG 4.2Å; R1287-R1349 PolarHBondContact O-NH1 3.05Å; R1287-R1349 PolarHBondContact O-NH2 3.31Å; R1287-R1349 VanDerWaalsContact O-NH2 3.13Å |
| 1288 | R | 88.6 | Confident | 88.4 | Confident | 92.2 Ų | 92.2 | 37.8 Ų | 37.8 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -85 | -8 | -176.4 | -71.2 | 178.9 | 173.5 | 160.7 | 2.9 | 115.1 | N517 I1229 D1230 S1284 C1285 I1286 A1290 | N517-R1288 WeakPolarHBondContact OD1-CD 3.34Å; I1229-R1288 VanDerWaalsContact O-CZ 3.27Å; I1229-R1288 PolarHBondContact O-NH1 3.21Å; I1229-R1288 VanDerWaalsContact O-NH1 3.1Å; I1229-R1288 PolarHBondContact O-NH2 3.28Å; D1230-R1288 VanDerWaalsContact C-NH2 3.34Å; D1230-R1288 PolarHBondContact O-NH2 3.02Å; S1284-R1288 WeakPolarHBondContact O-CB 3.27Å; S1284-R1288 WeakPolarHBondContact O-CG 3.35Å; S1284-R1288 PolarHBondContact O-N 3.16Å; C1285-R1288 PolarHBondContact O-N 3.1Å; I1286-R1288 VanDerWaalsContact C-N 3.32Å; I1286-R1288 PolarHBondContact O-N 3.12Å; R1288-A1290 PolarHBondContact O-N 2.97Å; R1288-A1290 VanDerWaalsContact O-N 3.09Å |
| 1289 | A | 88.3 | Confident | 88.4 | Confident | 15.8 Ų | 15.8 | 38.3 Ų | 38.3 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | trans | -59.3 | 115.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1285 I1286 L1295 | C1285-A1289 WeakPolarHBondContact O-CB 3.38Å; C1285-A1289 PolarHBondContact O-N 2.99Å; I1286-A1289 WeakPolarHBondContact O-CB 3.33Å; I1286-A1289 PolarHBondContact O-N 3.16Å; A1289-L1295 HydrophobicContact CB-CB 3.8Å; A1289-L1295 HydrophobicContact CB-CD1 4.06Å; A1289-L1295 HydrophobicContact CB-CG 4.44Å | ||
| 1290 | A | 85.7 | Confident | 88.5 | Confident | 97.4 Ų | 97.4 | 38.7 Ų | 38.7 | 81% | 0.805 | 21% | 0.209 | S | C | * | . | trans | -90.5 | -13.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1288 | R1288-A1290 PolarHBondContact O-N 2.97Å; R1288-A1290 VanDerWaalsContact O-N 3.09Å | ||
| 1291 | N | 85.8 | Confident | 88.6 | Confident | 69.8 Ų | 69.8 | 40.2 Ų | 40.2 | 37% | 0.373 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -143.6 | 168.6 | 179.6 | 69.4 | 33.2 | 0 | 0 | 0 | 111.2 | C1293 Y1294 L1295 | N1291-C1293 VanDerWaalsContact C-N 3.32Å; N1291-C1293 PolarHBondContact O-N 3.42Å; N1291-C1293 WeakPolarHBondContact OD1-CB 3.46Å; N1291-C1293 PolarHBondContact OD1-N 3.01Å; N1291-C1293 VanDerWaalsContact OD1-N 3.15Å; N1291-Y1294 VanDerWaalsContact CG-CD2 3.47Å; N1291-Y1294 VanDerWaalsContact ND2-CD2 3.26Å; N1291-Y1294 WeakPolarHBondContact ND2-CD2 3.41Å; N1291-Y1294 WeakPolarHBondContact ND2-CE2 3.37Å; N1291-Y1294 PolarHBondContact O-N 3.08Å; N1291-Y1294 VanDerWaalsContact OD1-CB 3.26Å; N1291-Y1294 WeakPolarHBondContact OD1-CB 3.44Å; N1291-Y1294 WeakPolarHBondContact OD1-CD2 3.36Å; N1291-Y1294 VanDerWaalsContact OD1-CG 3.28Å; N1291-Y1294 PolarHBondContact OD1-N 3.04Å; N1291-L1295 WeakPolarHBondContact O-CB 3.31Å; N1291-L1295 PolarHBondContact O-N 3.07Å; N1291-L1295 VanDerWaalsContact O-N 3.12Å |
| 1292 | H | 86.2 | Confident | 88.6 | Confident | 76.6 Ų | 76.6 | 39.7 Ų | 39.7 | 36% | 0.355 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -36.6 | -177.2 | -61.9 | 171.4 | 0 | 0 | 0 | 113 | L1295 L1296 S1359 D1360 L1363 | H1292-L1295 PolarHBondContact O-N 3.24Å; H1292-L1296 VanDerWaalsContact O-CG 3.29Å; H1292-L1296 WeakPolarHBondContact O-CG 3.36Å; H1292-L1296 PolarHBondContact O-N 3.08Å; H1292-L1296 VanDerWaalsContact O-N 3.07Å; H1292-S1359 PolarHBondContact CE1-OG 3.19Å; H1292-S1359 WeakPolarHBondContact ND1-CB 3.4Å; H1292-S1359 PolarHBondContact ND1-OG 3.45Å; H1292-D1360 IonicContact CE1-OD1 3.42Å; H1292-D1360 PolarHBondContact CE1-OD1 3.25Å; H1292-D1360 VanDerWaalsContact CE1-OD1 3.3Å; H1292-D1360 IonicContact NE2-OD1 2.91Å; H1292-L1363 HydrophobicContact CB-CD1 4.24Å; H1292-L1363 VanDerWaalsContact CD2-CD2 3.5Å; H1292-L1363 WeakPolarHBondContact CD2-CD2 2.9Å |
| 1293 | C | 86.2 | Confident | 88.4 | Confident | 69.6 Ų | 69.6 | 43.3 Ų | 43.3 | 47% | 0.47 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -50.9 | -178.4 | -166.7 | 0 | 0 | 0 | 0 | 111.2 | N1291 L1295 L1296 E1297 | N1291-C1293 VanDerWaalsContact C-N 3.32Å; N1291-C1293 PolarHBondContact O-N 3.42Å; N1291-C1293 WeakPolarHBondContact OD1-CB 3.46Å; N1291-C1293 PolarHBondContact OD1-N 3.01Å; N1291-C1293 VanDerWaalsContact OD1-N 3.15Å; C1293-L1295 VanDerWaalsContact C-N 3.27Å; C1293-L1295 PolarHBondContact O-N 3.17Å; C1293-L1296 PolarHBondContact O-N 3.2Å; C1293-E1297 WeakPolarHBondContact O-CG 3.31Å; C1293-E1297 PolarHBondContact O-N 3.1Å; C1293-E1297 PolarHBondContact SG-OE1 3.41Å |
| 1294 | Y | 88.9 | Confident | 88.2 | Confident | 110 Ų | 110 | 48.5 Ų | 48.5 | 43% | 0.431 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -34.3 | 178.1 | -69.3 | -43.5 | 0 | 0 | 0 | 112.1 | N517 K518 N1291 E1297 S1298 | N517-Y1294 WeakPolarHBondContact O-CD2 3.37Å; K518-Y1294 HydrophobicContact CB-CE1 4.39Å; K518-Y1294 HydrophobicContact CG-CE2 4.32Å; K518-Y1294 WeakPolarHBondContact O-CD1 3.32Å; N1291-Y1294 VanDerWaalsContact CG-CD2 3.47Å; N1291-Y1294 VanDerWaalsContact ND2-CD2 3.26Å; N1291-Y1294 WeakPolarHBondContact ND2-CD2 3.41Å; N1291-Y1294 WeakPolarHBondContact ND2-CE2 3.37Å; N1291-Y1294 PolarHBondContact O-N 3.08Å; N1291-Y1294 VanDerWaalsContact OD1-CB 3.26Å; N1291-Y1294 WeakPolarHBondContact OD1-CB 3.44Å; N1291-Y1294 WeakPolarHBondContact OD1-CD2 3.36Å; N1291-Y1294 VanDerWaalsContact OD1-CG 3.28Å; N1291-Y1294 PolarHBondContact OD1-N 3.04Å; Y1294-E1297 PolarHBondContact O-N 3.34Å; Y1294-S1298 VanDerWaalsContact O-CB 3.27Å; Y1294-S1298 WeakPolarHBondContact O-CB 3.27Å; Y1294-S1298 PolarHBondContact O-N 3.01Å; Y1294-S1298 PolarHBondContact O-OG 3.01Å |
| 1295 | L | 90.2 | Very high | 88 | Confident | 3.6 Ų | 3.6 | 48.6 Ų | 48.6 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 175.6 | -177.6 | 58.5 | 0 | 0 | 0 | 111.5 | I1286 A1289 N1291 H1292 C1293 E1297 S1298 L1299 F1350 L1363 V1367 | I1286-L1295 HydrophobicContact CB-CD1 4.44Å; I1286-L1295 HydrophobicContact CG2-CD1 3.86Å; A1289-L1295 HydrophobicContact CB-CB 3.8Å; A1289-L1295 HydrophobicContact CB-CD1 4.06Å; A1289-L1295 HydrophobicContact CB-CG 4.44Å; N1291-L1295 WeakPolarHBondContact O-CB 3.31Å; N1291-L1295 PolarHBondContact O-N 3.07Å; N1291-L1295 VanDerWaalsContact O-N 3.12Å; H1292-L1295 PolarHBondContact O-N 3.24Å; C1293-L1295 VanDerWaalsContact C-N 3.27Å; C1293-L1295 PolarHBondContact O-N 3.17Å; L1295-E1297 VanDerWaalsContact C-N 3.33Å; L1295-E1297 PolarHBondContact O-N 3.11Å; L1295-S1298 WeakPolarHBondContact O-CB 3.27Å; L1295-S1298 PolarHBondContact O-N 3.1Å; L1295-S1298 VanDerWaalsContact O-N 3.15Å; L1295-L1299 HydrophobicContact CD1-CD1 4.47Å; L1295-L1299 HydrophobicContact CD1-CG 4.37Å; L1295-L1299 HydrophobicContact CG-CD1 4.35Å; L1295-L1299 HydrophobicContact CG-CG 4.46Å; L1295-L1299 WeakPolarHBondContact O-CG 3.35Å; L1295-L1299 PolarHBondContact O-N 3.07Å; L1295-F1350 HydrophobicContact CD1-CE2 4.28Å; L1295-F1350 HydrophobicContact CD1-CZ 4.06Å; L1295-F1350 HydrophobicContact CD2-CD1 4.24Å; L1295-F1350 HydrophobicContact CD2-CE1 3.42Å; L1295-F1350 VanDerWaalsContact CD2-CE1 3.42Å; L1295-F1350 HydrophobicContact CD2-CE2 3.96Å; L1295-F1350 HydrophobicContact CD2-CZ 3.24Å; L1295-F1350 HydrophobicContact CG-CZ 4.31Å; L1295-L1363 HydrophobicContact CB-CD1 4.26Å; L1295-L1363 HydrophobicContact CD2-CD1 3.43Å; L1295-L1363 VanDerWaalsContact CD2-CD1 3.49Å; L1295-L1363 HydrophobicContact CD2-CD2 3.81Å; L1295-L1363 HydrophobicContact CD2-CG 3.92Å; L1295-L1363 HydrophobicContact CG-CD1 3.95Å; L1295-V1367 HydrophobicContact CD2-CG2 4.3Å |
| 1296 | L | 87.8 | Confident | 87.6 | Confident | 57.4 Ų | 57.4 | 47.8 Ų | 47.8 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.8 | -69.7 | 173.6 | 0 | 0 | 0 | 111.9 | Y406 H1292 C1293 S1298 L1299 G1300 L1363 S1366 | Y406-L1296 WeakPolarHBondContact CB-O 3.45Å; Y406-L1296 HydrophobicContact CD1-CB 4.01Å; Y406-L1296 HydrophobicContact CD1-CD2 4.18Å; Y406-L1296 WeakPolarHBondContact CD2-O 3.04Å; Y406-L1296 HydrophobicContact CE1-CB 4.38Å; Y406-L1296 HydrophobicContact CE1-CD2 3.68Å; Y406-L1296 HydrophobicContact CE1-CG 4.47Å; Y406-L1296 HydrophobicContact CG-CB 4.43Å; H1292-L1296 VanDerWaalsContact O-CG 3.29Å; H1292-L1296 WeakPolarHBondContact O-CG 3.36Å; H1292-L1296 PolarHBondContact O-N 3.08Å; H1292-L1296 VanDerWaalsContact O-N 3.07Å; C1293-L1296 PolarHBondContact O-N 3.2Å; L1296-S1298 VanDerWaalsContact C-N 3.32Å; L1296-S1298 PolarHBondContact O-N 3.11Å; L1296-L1299 HydrophobicContact CD2-CD1 4.4Å; L1296-L1299 PolarHBondContact O-N 3.33Å; L1296-G1300 PolarHBondContact O-N 3.06Å; L1296-L1363 HydrophobicContact CD2-CD1 4.19Å; L1296-L1363 HydrophobicContact CG-CD1 4.28Å; L1296-S1366 VanDerWaalsContact CD2-CB 3.44Å; L1296-S1366 VanDerWaalsContact CD2-OG 3.29Å; L1296-S1366 WeakPolarHBondContact CD2-OG 3.33Å |
| 1297 | E | 88.7 | Confident | 87 | Confident | 79.2 Ų | 79.2 | 49.4 Ų | 49.4 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.1 | -72.6 | -174.4 | 176.4 | 0 | 0 | 111.9 | K401 A519 C1293 Y1294 L1295 L1299 G1300 F1301 | K401-E1297 VanDerWaalsContact CD-OE1 3.22Å; K401-E1297 WeakPolarHBondContact CD-OE1 3.34Å; K401-E1297 WeakPolarHBondContact CE-OE1 3.25Å; K401-E1297 IonicContact NZ-OE1 2.74Å; K401-E1297 PolarHBondContact NZ-OE1 2.69Å; K401-E1297 IonicContact NZ-OE2 2.64Å; A519-E1297 HydrophobicContact CB-CB 3.83Å; C1293-E1297 WeakPolarHBondContact O-CG 3.31Å; C1293-E1297 PolarHBondContact O-N 3.1Å; C1293-E1297 PolarHBondContact SG-OE1 3.41Å; Y1294-E1297 PolarHBondContact O-N 3.34Å; L1295-E1297 VanDerWaalsContact C-N 3.33Å; L1295-E1297 PolarHBondContact O-N 3.11Å; E1297-L1299 VanDerWaalsContact C-N 3.33Å; E1297-L1299 PolarHBondContact O-N 3.09Å; E1297-G1300 CarbonylContact O-C 3.59Å; E1297-G1300 WeakPolarHBondContact O-CA 3.31Å; E1297-G1300 PolarHBondContact O-N 3.16Å; E1297-G1300 VanDerWaalsContact O-N 3.13Å; E1297-F1301 WeakPolarHBondContact O-CB 3.3Å; E1297-F1301 PolarHBondContact O-N 3.1Å |
| 1298 | S | 91.4 | Very high | 86.5 | Confident | 8.4 Ų | 8.4 | 48.4 Ų | 48.4 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 178.7 | -57 | 0 | 0 | 0 | 0 | 112.5 | A519 C1285 Y1294 L1295 L1296 G1300 F1301 L1302 | A519-S1298 WeakPolarHBondContact CB-OG 3.49Å; C1285-S1298 VanDerWaalsContact C-OG 3.31Å; C1285-S1298 VanDerWaalsContact CB-OG 3.3Å; C1285-S1298 WeakPolarHBondContact CB-OG 3.37Å; C1285-S1298 PolarHBondContact O-OG 3.33Å; Y1294-S1298 VanDerWaalsContact O-CB 3.27Å; Y1294-S1298 WeakPolarHBondContact O-CB 3.27Å; Y1294-S1298 PolarHBondContact O-N 3.01Å; Y1294-S1298 PolarHBondContact O-OG 3.01Å; L1295-S1298 WeakPolarHBondContact O-CB 3.27Å; L1295-S1298 PolarHBondContact O-N 3.1Å; L1295-S1298 VanDerWaalsContact O-N 3.15Å; L1296-S1298 VanDerWaalsContact C-N 3.32Å; L1296-S1298 PolarHBondContact O-N 3.11Å; S1298-G1300 VanDerWaalsContact C-N 3.34Å; S1298-F1301 WeakPolarHBondContact O-CB 3.45Å; S1298-F1301 PolarHBondContact O-N 3.16Å; S1298-L1302 PolarHBondContact O-N 3.21Å |
| 1299 | L | 89.7 | Confident | 85.9 | Confident | 10.2 Ų | 10.2 | 44.6 Ų | 44.6 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 172.2 | -68.5 | 174.2 | 0 | 0 | 0 | 111 | Y406 I1286 L1295 L1296 E1297 F1301 L1302 Y1303 V1367 A1370 | Y406-L1299 HydrophobicContact CD2-CB 4.16Å; Y406-L1299 HydrophobicContact CE2-CB 3.86Å; I1286-L1299 HydrophobicContact CD1-CD2 3.82Å; I1286-L1299 HydrophobicContact CG1-CD2 4.18Å; L1295-L1299 HydrophobicContact CD1-CD1 4.47Å; L1295-L1299 HydrophobicContact CD1-CG 4.37Å; L1295-L1299 HydrophobicContact CG-CD1 4.35Å; L1295-L1299 HydrophobicContact CG-CG 4.46Å; L1295-L1299 WeakPolarHBondContact O-CG 3.35Å; L1295-L1299 PolarHBondContact O-N 3.07Å; L1296-L1299 HydrophobicContact CD2-CD1 4.4Å; L1296-L1299 PolarHBondContact O-N 3.33Å; E1297-L1299 VanDerWaalsContact C-N 3.33Å; E1297-L1299 PolarHBondContact O-N 3.09Å; L1299-F1301 VanDerWaalsContact C-N 3.29Å; L1299-F1301 PolarHBondContact O-N 2.87Å; L1299-L1302 WeakPolarHBondContact O-CB 3.34Å; L1299-L1302 PolarHBondContact O-N 3.09Å; L1299-L1302 VanDerWaalsContact O-N 3.14Å; L1299-Y1303 HydrophobicContact CB-CE2 4.34Å; L1299-Y1303 WeakPolarHBondContact O-CD2 3.39Å; L1299-Y1303 PolarHBondContact O-N 3.06Å; L1299-Y1303 VanDerWaalsContact O-N 3.08Å; L1299-V1367 HydrophobicContact CD1-CG2 4.03Å; L1299-A1370 HydrophobicContact CD1-CB 4.41Å; L1299-A1370 HydrophobicContact CD2-CB 3.76Å |
| 1300 | G | 87.9 | Confident | 84.9 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y406 L1296 E1297 S1298 L1302 Y1303 R1304 | Y406-G1300 WeakPolarHBondContact O-CA 3.31Å; L1296-G1300 PolarHBondContact O-N 3.06Å; E1297-G1300 CarbonylContact O-C 3.59Å; E1297-G1300 WeakPolarHBondContact O-CA 3.31Å; E1297-G1300 PolarHBondContact O-N 3.16Å; E1297-G1300 VanDerWaalsContact O-N 3.13Å; S1298-G1300 VanDerWaalsContact C-N 3.34Å; G1300-L1302 VanDerWaalsContact C-N 3.34Å; G1300-L1302 PolarHBondContact O-N 3.14Å; G1300-Y1303 PolarHBondContact O-N 3.14Å; G1300-R1304 VanDerWaalsContact C-CZ 3.45Å; G1300-R1304 WeakPolarHBondContact O-CB 3.37Å; G1300-R1304 VanDerWaalsContact O-CG 3.28Å; G1300-R1304 WeakPolarHBondContact O-CG 3.38Å; G1300-R1304 PolarHBondContact O-N 3.17Å; G1300-R1304 PolarHBondContact O-NE 3.45Å; G1300-R1304 PolarHBondContact O-NH1 2.84Å |
| 1301 | F | 88.7 | Confident | 83.4 | Confident | 31.8 Ų | 31.8 | 46.7 Ų | 46.7 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 174.4 | 178.5 | -140 | 0 | 0 | 0 | 111.8 | L521 E524 V1272 L1281 S1282 C1285 E1297 S1298 L1299 Y1303 R1304 S1305 | L521-F1301 HydrophobicContact CD1-CE1 3.75Å; L521-F1301 HydrophobicContact CD1-CZ 3.92Å; E524-F1301 HydrophobicContact CG-CD2 3.48Å; E524-F1301 VanDerWaalsContact CG-CD2 3.48Å; E524-F1301 HydrophobicContact CG-CE2 3.36Å; E524-F1301 HydrophobicContact CG-CG 4.18Å; E524-F1301 HydrophobicContact CG-CZ 3.97Å; E524-F1301 WeakPolarHBondContact OE1-CD2 3.38Å; V1272-F1301 HydrophobicContact CG1-CE2 4.24Å; V1272-F1301 HydrophobicContact CG2-CE2 4.2Å; V1272-F1301 HydrophobicContact CG2-CZ 4.06Å; L1281-F1301 HydrophobicContact CB-CE1 4.13Å; L1281-F1301 HydrophobicContact CB-CZ 3.94Å; S1282-F1301 VanDerWaalsContact CA-CD1 3.47Å; S1282-F1301 VanDerWaalsContact CA-CE1 3.46Å; C1285-F1301 HydrophobicContact CB-CD1 4.44Å; E1297-F1301 WeakPolarHBondContact O-CB 3.3Å; E1297-F1301 PolarHBondContact O-N 3.1Å; S1298-F1301 WeakPolarHBondContact O-CB 3.45Å; S1298-F1301 PolarHBondContact O-N 3.16Å; L1299-F1301 VanDerWaalsContact C-N 3.29Å; L1299-F1301 PolarHBondContact O-N 2.87Å; F1301-Y1303 VanDerWaalsContact C-N 3.34Å; F1301-Y1303 PolarHBondContact O-N 3.42Å; F1301-R1304 PolarHBondContact O-N 3.2Å; F1301-S1305 VanDerWaalsContact O-CB 3.32Å; F1301-S1305 WeakPolarHBondContact O-CB 3.41Å; F1301-S1305 PolarHBondContact O-N 3Å; F1301-S1305 PolarHBondContact O-OG 3.01Å |
| 1302 | L | 88.8 | Confident | 81.8 | Confident | 1.2 Ų | 1.2 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.1 | -49.3 | 173.6 | 174.1 | 64.7 | 0 | 0 | 0 | 111.4 | F1279 S1282 L1283 I1286 S1298 L1299 G1300 R1304 S1305 L1306 W1341 V1374 | F1279-L1302 HydrophobicContact CD2-CD1 3.71Å; F1279-L1302 HydrophobicContact CE2-CD1 3.67Å; S1282-L1302 WeakPolarHBondContact OG-CA 3.5Å; S1282-L1302 VanDerWaalsContact OG-CD1 3.29Å; S1282-L1302 WeakPolarHBondContact OG-CD1 3.39Å; L1283-L1302 HydrophobicContact CD2-CD1 4.06Å; L1283-L1302 HydrophobicContact CD2-CD2 4.35Å; I1286-L1302 HydrophobicContact CD1-CB 4.13Å; I1286-L1302 HydrophobicContact CD1-CD2 3.68Å; I1286-L1302 HydrophobicContact CD1-CG 4.45Å; S1298-L1302 PolarHBondContact O-N 3.21Å; L1299-L1302 WeakPolarHBondContact O-CB 3.34Å; L1299-L1302 PolarHBondContact O-N 3.09Å; L1299-L1302 VanDerWaalsContact O-N 3.14Å; G1300-L1302 VanDerWaalsContact C-N 3.34Å; G1300-L1302 PolarHBondContact O-N 3.14Å; L1302-R1304 PolarHBondContact O-N 3.34Å; L1302-S1305 WeakPolarHBondContact O-CB 3.4Å; L1302-S1305 PolarHBondContact O-N 3.13Å; L1302-S1305 PolarHBondContact O-OG 3.37Å; L1302-L1306 HydrophobicContact CD1-CD1 3.82Å; L1302-L1306 HydrophobicContact CD1-CG 4.39Å; L1302-L1306 HydrophobicContact CG-CD1 4.15Å; L1302-L1306 WeakPolarHBondContact O-CG 3.38Å; L1302-L1306 PolarHBondContact O-N 3.1Å; L1302-L1306 VanDerWaalsContact O-N 3.15Å; L1302-W1341 HydrophobicContact CD2-CZ3 4.25Å; L1302-V1374 HydrophobicContact CD2-CG1 4.38Å; L1302-V1374 HydrophobicContact CD2-CG2 3.94Å; L1302-V1374 HydrophobicContact CG-CG2 4.06Å |
| 1303 | Y | 85.4 | Confident | 79.8 | Confident | 76.2 Ų | 76.2 | 45.4 Ų | 45.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 179.8 | -163.6 | -97 | 0 | 0 | 0 | 112.6 | Y406 K407 S410 L1299 G1300 F1301 S1305 L1306 S1307 C1369 A1370 E1373 V1374 L1378 | Y406-Y1303 HydrophobicContact CD2-CD2 4.24Å; Y406-Y1303 HydrophobicContact CD2-CE2 4.47Å; Y406-Y1303 AromaticContact CE2-CD2 3.91Å; Y406-Y1303 HydrophobicContact CE2-CD2 3.91Å; Y406-Y1303 AromaticContact CE2-CE2 3.7Å; Y406-Y1303 HydrophobicContact CE2-CE2 3.7Å; K407-Y1303 HydrophobicContact CD-CE2 4.37Å; K407-Y1303 WeakPolarHBondContact CE-OH 3.33Å; K407-Y1303 HydrophobicContact CG-CD2 4.19Å; K407-Y1303 HydrophobicContact CG-CE2 4.29Å; K407-Y1303 PolarHBondContact NZ-OH 3.04Å; S410-Y1303 WeakPolarHBondContact OG-CB 3.43Å; L1299-Y1303 HydrophobicContact CB-CE2 4.34Å; L1299-Y1303 WeakPolarHBondContact O-CD2 3.39Å; L1299-Y1303 PolarHBondContact O-N 3.06Å; L1299-Y1303 VanDerWaalsContact O-N 3.08Å; G1300-Y1303 PolarHBondContact O-N 3.14Å; F1301-Y1303 VanDerWaalsContact C-N 3.34Å; F1301-Y1303 PolarHBondContact O-N 3.42Å; Y1303-S1305 PolarHBondContact O-N 3.05Å; Y1303-L1306 PolarHBondContact O-N 3.01Å; Y1303-S1307 VanDerWaalsContact O-CB 3.28Å; Y1303-S1307 WeakPolarHBondContact O-CB 3.19Å; Y1303-S1307 PolarHBondContact O-N 3.27Å; Y1303-S1307 PolarHBondContact O-OG 2.89Å; Y1303-C1369 PolarHBondContact OH-O 3.23Å; Y1303-A1370 HydrophobicContact CE2-CB 4.26Å; Y1303-A1370 WeakPolarHBondContact OH-CA 3.16Å; Y1303-A1370 PolarHBondContact OH-N 3.41Å; Y1303-E1373 HydrophobicContact CD2-CB 4.26Å; Y1303-E1373 HydrophobicContact CE1-CB 3.84Å; Y1303-E1373 HydrophobicContact CE1-CG 4.5Å; Y1303-E1373 WeakPolarHBondContact CE1-OE2 3.16Å; Y1303-E1373 HydrophobicContact CE2-CB 4.07Å; Y1303-E1373 HydrophobicContact CE2-CG 4.32Å; Y1303-E1373 PolarHBondContact OH-OE2 2.87Å; Y1303-V1374 HydrophobicContact CE1-CG2 4.29Å; Y1303-L1378 HydrophobicContact CD2-CD1 4.02Å; Y1303-L1378 HydrophobicContact CE2-CD1 3.94Å |
| 1304 | R | 84.7 | Confident | 77.7 | Confident | 108.4 Ų | 108.4 | 47.9 Ų | 47.9 | 41% | 0.409 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -41 | 176.7 | -74.5 | -178.9 | -103.3 | -156.3 | 2.7 | 112 | Y406 E409 E524 C525 Q528 G1300 F1301 L1302 L1306 S1307 A1308 | Y406-R1304 PolarHBondContact O-NH1 2.78Å; E409-R1304 HydrophobicContact CB-CG 4.39Å; E524-R1304 IonicContact OE1-CZ 3.8Å; E524-R1304 IonicContact OE1-NE 2.92Å; E524-R1304 PolarHBondContact OE1-NE 2.85Å; E524-R1304 VanDerWaalsContact OE1-NE 3.11Å; E524-R1304 IonicContact OE1-NH2 2.8Å; E524-R1304 PolarHBondContact OE1-NH2 3.42Å; E524-R1304 IonicContact OE2-NH2 3.92Å; E524-R1304 PolarHBondContact OE2-NH2 3.39Å; C525-R1304 WeakPolarHBondContact SG-CD 3.38Å; C525-R1304 PolarHBondContact SG-NE 3.12Å; C525-R1304 VanDerWaalsContact SG-NE 3.45Å; Q528-R1304 HydrophobicContact CB-CB 4.1Å; G1300-R1304 VanDerWaalsContact C-CZ 3.45Å; G1300-R1304 WeakPolarHBondContact O-CB 3.37Å; G1300-R1304 VanDerWaalsContact O-CG 3.28Å; G1300-R1304 WeakPolarHBondContact O-CG 3.38Å; G1300-R1304 PolarHBondContact O-N 3.17Å; G1300-R1304 PolarHBondContact O-NE 3.45Å; G1300-R1304 PolarHBondContact O-NH1 2.84Å; F1301-R1304 PolarHBondContact O-N 3.2Å; L1302-R1304 PolarHBondContact O-N 3.34Å; R1304-L1306 VanDerWaalsContact C-N 3.33Å; R1304-L1306 PolarHBondContact O-N 3.05Å; R1304-S1307 WeakPolarHBondContact CA-OG 3.46Å; R1304-S1307 PolarHBondContact O-N 3.21Å; R1304-S1307 PolarHBondContact O-OG 3.01Å; R1304-A1308 VanDerWaalsContact O-CB 3.27Å; R1304-A1308 WeakPolarHBondContact O-CB 3.32Å; R1304-A1308 PolarHBondContact O-N 3.13Å |
| 1305 | S | 84.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -50.1 | 177.4 | 111.2 | 0 | 0 | 0 | 0 | 111.2 | S1278 F1279 F1301 L1302 Y1303 S1307 A1308 H1309 | S1278-S1305 VanDerWaalsContact CB-OG 3.29Å; S1278-S1305 WeakPolarHBondContact CB-OG 3.33Å; S1278-S1305 VanDerWaalsContact OG-CB 3.28Å; S1278-S1305 WeakPolarHBondContact OG-CB 3.38Å; S1278-S1305 PolarHBondContact OG-OG 3.26Å; F1279-S1305 PolarHBondContact N-OG 2.96Å; F1301-S1305 VanDerWaalsContact O-CB 3.32Å; F1301-S1305 WeakPolarHBondContact O-CB 3.41Å; F1301-S1305 PolarHBondContact O-N 3Å; F1301-S1305 PolarHBondContact O-OG 3.01Å; L1302-S1305 WeakPolarHBondContact O-CB 3.4Å; L1302-S1305 PolarHBondContact O-N 3.13Å; L1302-S1305 PolarHBondContact O-OG 3.37Å; Y1303-S1305 PolarHBondContact O-N 3.05Å; S1305-S1307 PolarHBondContact O-N 3.1Å; S1305-A1308 PolarHBondContact O-N 3.26Å; S1305-H1309 WeakPolarHBondContact O-CB 3.32Å; S1305-H1309 PolarHBondContact O-CD2 3.46Å; S1305-H1309 PolarHBondContact O-N 3.11Å; S1305-H1309 VanDerWaalsContact O-N 3.11Å |
| 1306 | L | 82.1 | Confident | 72.8 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | 179.4 | -72.2 | 161.4 | 0 | 0 | 0 | 111.8 | F1279 L1302 Y1303 R1304 A1308 H1309 K1310 V1374 L1378 I1379 P1380 | F1279-L1306 HydrophobicContact CD2-CD1 4.35Å; F1279-L1306 HydrophobicContact CD2-CD2 4.02Å; F1279-L1306 HydrophobicContact CD2-CG 4.22Å; F1279-L1306 HydrophobicContact CE2-CD1 4.28Å; F1279-L1306 HydrophobicContact CE2-CD2 4.28Å; F1279-L1306 HydrophobicContact CE2-CG 4.49Å; L1302-L1306 HydrophobicContact CD1-CD1 3.82Å; L1302-L1306 HydrophobicContact CD1-CG 4.39Å; L1302-L1306 HydrophobicContact CG-CD1 4.15Å; L1302-L1306 WeakPolarHBondContact O-CG 3.38Å; L1302-L1306 PolarHBondContact O-N 3.1Å; L1302-L1306 VanDerWaalsContact O-N 3.15Å; Y1303-L1306 PolarHBondContact O-N 3.01Å; R1304-L1306 VanDerWaalsContact C-N 3.33Å; R1304-L1306 PolarHBondContact O-N 3.05Å; L1306-A1308 VanDerWaalsContact C-N 3.33Å; L1306-A1308 PolarHBondContact O-N 3.11Å; L1306-H1309 PolarHBondContact O-N 3.06Å; L1306-K1310 WeakPolarHBondContact O-CA 3.34Å; L1306-K1310 WeakPolarHBondContact O-CB 3.42Å; L1306-K1310 PolarHBondContact O-N 2.96Å; L1306-K1310 VanDerWaalsContact O-N 3.11Å; L1306-V1374 HydrophobicContact CD1-CB 4.08Å; L1306-V1374 HydrophobicContact CD1-CG1 3.43Å; L1306-V1374 VanDerWaalsContact CD1-CG1 3.42Å; L1306-V1374 HydrophobicContact CD1-CG2 3.67Å; L1306-L1378 HydrophobicContact CB-CB 4.4Å; L1306-L1378 HydrophobicContact CB-CD1 4.2Å; L1306-L1378 HydrophobicContact CD1-CB 4.41Å; L1306-L1378 HydrophobicContact CD1-CD1 4.25Å; L1306-I1379 HydrophobicContact CD2-CG1 4.18Å; L1306-P1380 HydrophobicContact CD2-CB 4.13Å; L1306-P1380 HydrophobicContact CD2-CG 4.16Å |
| 1307 | S | 78.5 | Confident | 70.4 | Confident | 32.8 Ų | 32.8 | 56.5 Ų | 56.5 | 23% | 0.229 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 179 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | S410 L413 Y1303 R1304 S1305 H1309 K1310 | S410-S1307 PolarHBondContact O-OG 2.96Å; L413-S1307 WeakPolarHBondContact CB-OG 3.46Å; Y1303-S1307 VanDerWaalsContact O-CB 3.28Å; Y1303-S1307 WeakPolarHBondContact O-CB 3.19Å; Y1303-S1307 PolarHBondContact O-N 3.27Å; Y1303-S1307 PolarHBondContact O-OG 2.89Å; R1304-S1307 WeakPolarHBondContact CA-OG 3.46Å; R1304-S1307 PolarHBondContact O-N 3.21Å; R1304-S1307 PolarHBondContact O-OG 3.01Å; S1305-S1307 PolarHBondContact O-N 3.1Å; S1307-H1309 VanDerWaalsContact C-N 3.31Å; S1307-H1309 PolarHBondContact O-N 2.86Å; S1307-K1310 WeakPolarHBondContact O-CB 3.21Å |
| 1308 | A | 79.2 | Confident | 67.9 | Low | 43.8 Ų | 43.8 | 57.9 Ų | 57.9 | 36% | 0.362 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q528 F531 R1304 S1305 L1306 | Q528-A1308 HydrophobicContact CB-CB 4.21Å; Q528-A1308 WeakPolarHBondContact O-CB 3.15Å; F531-A1308 HydrophobicContact CB-CB 4.4Å; R1304-A1308 VanDerWaalsContact O-CB 3.27Å; R1304-A1308 WeakPolarHBondContact O-CB 3.32Å; R1304-A1308 PolarHBondContact O-N 3.13Å; S1305-A1308 PolarHBondContact O-N 3.26Å; L1306-A1308 VanDerWaalsContact C-N 3.33Å; L1306-A1308 PolarHBondContact O-N 3.11Å |
| 1309 | H | 75.5 | Confident | 65.1 | Low | 12.4 Ų | 12.4 | 61.3 Ų | 61.3 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -98 | 4.3 | -175.7 | -66 | -58.2 | 0 | 0 | 0 | 114.3 | F451 V1272 S1273 P1275 S1305 L1306 S1307 T1311 Q1312 C1313 | F451-H1309 HydrophobicContact CD2-CB 4.17Å; F451-H1309 AromaticContact CD2-ND1 3.54Å; F451-H1309 AromaticContact CE2-ND1 3.54Å; F451-H1309 AromaticContact CG-ND1 3.86Å; F451-H1309 AromaticContact CZ-ND1 3.92Å; V1272-H1309 PolarHBondContact O-NE2 3.07Å; S1273-H1309 PolarHBondContact O-CE1 3.15Å; S1273-H1309 VanDerWaalsContact O-CE1 3.24Å; P1275-H1309 HydrophobicContact CB-CB 3.93Å; S1305-H1309 WeakPolarHBondContact O-CB 3.32Å; S1305-H1309 PolarHBondContact O-CD2 3.46Å; S1305-H1309 PolarHBondContact O-N 3.11Å; S1305-H1309 VanDerWaalsContact O-N 3.11Å; L1306-H1309 PolarHBondContact O-N 3.06Å; S1307-H1309 VanDerWaalsContact C-N 3.31Å; S1307-H1309 PolarHBondContact O-N 2.86Å; H1309-T1311 VanDerWaalsContact C-N 3.26Å; H1309-T1311 PolarHBondContact O-N 3.2Å; H1309-T1311 VanDerWaalsContact O-N 3.1Å; H1309-Q1312 PolarHBondContact ND1-OE1 3.48Å; H1309-Q1312 PolarHBondContact O-N 3.1Å; H1309-Q1312 VanDerWaalsContact O-N 3.08Å; H1309-C1313 PolarHBondContact O-N 3.16Å; H1309-C1313 PolarHBondContact O-SG 3.4Å |
| 1310 | K | 67.7 | Low | 62.5 | Low | 84.4 Ų | 84.4 | 65.5 Ų | 65.5 | 37% | 0.367 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.5 | -32.2 | -175.3 | -171.9 | 173.9 | -175.6 | 178.4 | 0 | 112.9 | K536 L1306 S1307 Q1312 C1313 Y1314 L1378 | K536-K1310 PolarHBondContact NZ-O 3.42Å; K536-K1310 VanDerWaalsContact NZ-O 3.16Å; L1306-K1310 WeakPolarHBondContact O-CA 3.34Å; L1306-K1310 WeakPolarHBondContact O-CB 3.42Å; L1306-K1310 PolarHBondContact O-N 2.96Å; L1306-K1310 VanDerWaalsContact O-N 3.11Å; S1307-K1310 WeakPolarHBondContact O-CB 3.21Å; K1310-Q1312 PolarHBondContact O-N 3.38Å; K1310-C1313 PolarHBondContact O-N 3.41Å; K1310-Y1314 HydrophobicContact CD-CE2 4.36Å; K1310-Y1314 HydrophobicContact CG-CD2 4.32Å; K1310-Y1314 HydrophobicContact CG-CE2 3.79Å; K1310-Y1314 WeakPolarHBondContact O-CD2 3.22Å; K1310-Y1314 WeakPolarHBondContact O-CE2 3.34Å; K1310-L1378 HydrophobicContact CD-CD2 4.15Å |
| 1311 | T | 54.5 | Low | 59.9 | Low | 72.8 Ų | 72.8 | 68.6 Ų | 68.6 | 45% | 0.447 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -76.8 | -30.1 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | S450 F451 S454 H1309 C1313 Q1315 | S450-T1311 PolarHBondContact O-OG1 3.18Å; S450-T1311 PolarHBondContact OG-OG1 2.82Å; S450-T1311 VanDerWaalsContact OG-OG1 3.12Å; F451-T1311 PolarHBondContact N-OG1 3.15Å; S454-T1311 VanDerWaalsContact CB-CG2 3.41Å; S454-T1311 WeakPolarHBondContact OG-CG2 3.5Å; H1309-T1311 VanDerWaalsContact C-N 3.26Å; H1309-T1311 PolarHBondContact O-N 3.2Å; H1309-T1311 VanDerWaalsContact O-N 3.1Å; T1311-C1313 VanDerWaalsContact C-N 3.27Å; T1311-C1313 PolarHBondContact O-N 2.67Å; T1311-Q1315 PolarHBondContact O-N 3.35Å |
| 1312 | Q | 51.1 | Low | 57.3 | Low | 73.2 Ų | 73.2 | 74 Ų | 74 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -78.5 | -20.1 | -177.4 | -68.5 | 172.5 | -16.7 | 0 | 0 | 111.6 | N421 H1309 K1310 Y1314 Q1315 W1316 | N421-Q1312 PolarHBondContact ND2-NE2 2.9Å; N421-Q1312 PolarHBondContact OD1-NE2 3.39Å; H1309-Q1312 PolarHBondContact ND1-OE1 3.48Å; H1309-Q1312 PolarHBondContact O-N 3.1Å; H1309-Q1312 VanDerWaalsContact O-N 3.08Å; K1310-Q1312 PolarHBondContact O-N 3.38Å; Q1312-Y1314 VanDerWaalsContact C-N 3.25Å; Q1312-Y1314 PolarHBondContact O-N 3.1Å; Q1312-Q1315 PolarHBondContact O-N 3.22Å; Q1312-Q1315 VanDerWaalsContact O-N 3.12Å; Q1312-W1316 VanDerWaalsContact O-CD1 3.29Å; Q1312-W1316 PolarHBondContact O-N 3.4Å; Q1312-W1316 VanDerWaalsContact O-N 3.16Å |
| 1313 | C | 45.4 | Very low | 54.5 | Low | 45.2 Ų | 45.2 | 80.9 Ų | 80.9 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.7 | -20.1 | 174.7 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | H1309 K1310 T1311 Q1315 P1380 F1381 | H1309-C1313 PolarHBondContact O-N 3.16Å; H1309-C1313 PolarHBondContact O-SG 3.4Å; K1310-C1313 PolarHBondContact O-N 3.41Å; T1311-C1313 VanDerWaalsContact C-N 3.27Å; T1311-C1313 PolarHBondContact O-N 2.67Å; C1313-Q1315 HydrophobicContact CB-CG 4.39Å; C1313-Q1315 PolarHBondContact O-N 3.26Å; C1313-P1380 HydrophobicContact CB-CG 4.36Å; C1313-F1381 HydrophobicContact CB-CE1 4.34Å; C1313-F1381 HydrophobicContact CB-CZ 4.24Å; C1313-F1381 WeakPolarHBondContact SG-CZ 3.46Å |
| 1314 | Y | 42.1 | Very low | 51.9 | Low | 122.6 Ų | 122.6 | 81.8 Ų | 81.8 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73.2 | -18.6 | 171.7 | -71.5 | -68.9 | 0 | 0 | 0 | 112 | F436 C440 K1310 Q1312 W1316 P1380 F1381 | F436-Y1314 HydrophobicContact CD1-CD2 4.37Å; F436-Y1314 HydrophobicContact CD1-CE2 4.09Å; F436-Y1314 HydrophobicContact CE1-CD2 4.41Å; F436-Y1314 AromaticContact CE1-CE2 3.7Å; F436-Y1314 HydrophobicContact CE1-CE2 3.7Å; C440-Y1314 PolarHBondContact SG-O 3.06Å; C440-Y1314 VanDerWaalsContact SG-O 3.36Å; K1310-Y1314 HydrophobicContact CD-CE2 4.36Å; K1310-Y1314 HydrophobicContact CG-CD2 4.32Å; K1310-Y1314 HydrophobicContact CG-CE2 3.79Å; K1310-Y1314 WeakPolarHBondContact O-CD2 3.22Å; K1310-Y1314 WeakPolarHBondContact O-CE2 3.34Å; Q1312-Y1314 VanDerWaalsContact C-N 3.25Å; Q1312-Y1314 PolarHBondContact O-N 3.1Å; Y1314-W1316 VanDerWaalsContact C-N 3.3Å; Y1314-W1316 PolarHBondContact O-N 3.12Å; Y1314-P1380 HydrophobicContact CD1-CB 4.24Å; Y1314-P1380 HydrophobicContact CD1-CG 3.99Å; Y1314-P1380 HydrophobicContact CE1-CB 4.07Å; Y1314-P1380 HydrophobicContact CE1-CG 3.82Å; Y1314-F1381 AromaticContact CD1-CE2 3.99Å; Y1314-F1381 HydrophobicContact CD1-CE2 3.99Å; Y1314-F1381 HydrophobicContact CD1-CZ 4.19Å; Y1314-F1381 HydrophobicContact CE1-CE2 4.18Å; Y1314-F1381 HydrophobicContact CE1-CZ 4.26Å |
| 1315 | Q | 38.7 | Very low | 49.4 | Very low | 118.6 Ų | 118.6 | 81.5 Ų | 81.5 | 55% | 0.554 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.8 | -12.1 | 179.1 | -80.1 | -178.1 | -20.6 | 0 | 0 | 112.2 | T1311 Q1312 C1313 Q1317 D1318 | T1311-Q1315 PolarHBondContact O-N 3.35Å; Q1312-Q1315 PolarHBondContact O-N 3.22Å; Q1312-Q1315 VanDerWaalsContact O-N 3.12Å; C1313-Q1315 HydrophobicContact CB-CG 4.39Å; C1313-Q1315 PolarHBondContact O-N 3.26Å; Q1315-Q1317 PolarHBondContact O-N 3.17Å; Q1315-Q1317 VanDerWaalsContact O-N 3.13Å; Q1315-D1318 PolarHBondContact O-N 3.18Å; Q1315-D1318 VanDerWaalsContact O-N 3.13Å |
| 1316 | W | 37.4 | Very low | 46.9 | Very low | 138.4 Ų | 138.4 | 88.6 Ų | 88.6 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.4 | -7.6 | 175.9 | -101.6 | 61.8 | 0 | 0 | 0 | 112.7 | V1276 Q1312 Y1314 D1318 T1319 | V1276-W1316 HydrophobicContact CG2-CH2 4.47Å; V1276-W1316 HydrophobicContact CG2-CZ3 4.18Å; Q1312-W1316 VanDerWaalsContact O-CD1 3.29Å; Q1312-W1316 PolarHBondContact O-N 3.4Å; Q1312-W1316 VanDerWaalsContact O-N 3.16Å; Y1314-W1316 VanDerWaalsContact C-N 3.3Å; Y1314-W1316 PolarHBondContact O-N 3.12Å; W1316-D1318 VanDerWaalsContact C-N 3.35Å; W1316-D1318 PolarHBondContact O-N 2.89Å; W1316-T1319 PolarHBondContact O-OG1 3.42Å; W1316-T1319 VanDerWaalsContact O-OG1 3.06Å |
| 1317 | Q | 36.9 | Very low | 44.5 | Very low | 95.6 Ų | 95.6 | 93 Ų | 93 | 45% | 0.447 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -20.7 | 175 | -95.1 | 178.9 | -9.7 | 0 | 0 | 112.4 | Q1315 T1319 N1320 S1321 F1381 | Q1315-Q1317 PolarHBondContact O-N 3.17Å; Q1315-Q1317 VanDerWaalsContact O-N 3.13Å; Q1317-T1319 VanDerWaalsContact C-N 3.3Å; Q1317-T1319 PolarHBondContact O-N 3.02Å; Q1317-T1319 VanDerWaalsContact O-N 3.12Å; Q1317-N1320 PolarHBondContact O-N 3.5Å; Q1317-S1321 PolarHBondContact O-N 3.35Å; Q1317-S1321 PolarHBondContact O-OG 2.82Å; Q1317-F1381 PolarHBondContact NE2-O 3.34Å |
| 1318 | D | 35.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 58% | 0.578 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -9.7 | -179.2 | -81.5 | -17.6 | 0 | 0 | 0 | 111.5 | Q1315 W1316 N1320 | Q1315-D1318 PolarHBondContact O-N 3.18Å; Q1315-D1318 VanDerWaalsContact O-N 3.13Å; W1316-D1318 VanDerWaalsContact C-N 3.35Å; W1316-D1318 PolarHBondContact O-N 2.89Å; D1318-N1320 PolarHBondContact O-N 3.45Å |
| 1319 | T | 33.8 | Very low | 39.8 | Very low | 78.8 Ų | 78.8 | 102.1 Ų | 102.1 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -86.3 | -21.8 | -176.5 | 55 | 0 | 0 | 0 | 0 | 114.3 | W1316 Q1317 | W1316-T1319 PolarHBondContact O-OG1 3.42Å; W1316-T1319 VanDerWaalsContact O-OG1 3.06Å; Q1317-T1319 VanDerWaalsContact C-N 3.3Å; Q1317-T1319 PolarHBondContact O-N 3.02Å; Q1317-T1319 VanDerWaalsContact O-N 3.12Å |
| 1320 | N | 34 | Very low | 37.8 | Very low | 98.4 Ų | 98.4 | 106.5 Ų | 106.5 | 53% | 0.526 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -98 | -10.1 | -172.5 | -73.9 | -13 | 0 | 0 | 0 | 114.8 | Q1317 D1318 H1322 N1323 | Q1317-N1320 PolarHBondContact O-N 3.5Å; D1318-N1320 PolarHBondContact O-N 3.45Å; N1320-H1322 VanDerWaalsContact C-N 3.26Å; N1320-H1322 PolarHBondContact O-N 3.24Å; N1320-N1323 PolarHBondContact O-N 2.84Å |
| 1321 | S | 34.3 | Very low | 35.9 | Very low | 81.4 Ų | 81.4 | 108.6 Ų | 108.6 | 57% | 0.569 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -74.9 | -8.5 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 114 | Q1317 N1323 R2033 | Q1317-S1321 PolarHBondContact O-N 3.35Å; Q1317-S1321 PolarHBondContact O-OG 2.82Å; S1321-N1323 VanDerWaalsContact C-N 3.32Å; S1321-N1323 PolarHBondContact O-N 3.36Å; S1321-R2033 PolarHBondContact O-NH1 3.22Å; S1321-R2033 PolarHBondContact OG-NH1 2.89Å |
| 1322 | H | 32.8 | Very low | 34.7 | Very low | 146.6 Ų | 146.6 | 112 Ų | 112 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -93.9 | 8.2 | 179.1 | -77 | -59.9 | 0 | 0 | 0 | 114.3 | N1320 S1324 | N1320-H1322 VanDerWaalsContact C-N 3.26Å; N1320-H1322 PolarHBondContact O-N 3.24Å; H1322-S1324 PolarHBondContact O-N 3.38Å |
| 1323 | N | 31.9 | Very low | 33.8 | Very low | 146 Ų | 146 | 116 Ų | 116 | 78% | 0.781 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -128 | 42.7 | -176.2 | -70.9 | -20.9 | 0 | 0 | 0 | 115.8 | N1320 S1321 P1325 | N1320-N1323 PolarHBondContact O-N 2.84Å; S1321-N1323 VanDerWaalsContact C-N 3.32Å; S1321-N1323 PolarHBondContact O-N 3.36Å; N1323-P1325 VanDerWaalsContact C-CD 3.48Å; N1323-P1325 WeakPolarHBondContact O-CD 3.43Å |
| 1324 | S | 29.8 | Very low | 33.4 | Very low | 94.6 Ų | 94.6 | 118.7 Ų | 118.7 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | trans | -138.6 | 78.1 | 158.1 | 161.6 | 0 | 0 | 0 | 0 | 112.3 | H1322 N1326 | H1322-S1324 PolarHBondContact O-N 3.38Å; S1324-N1326 VanDerWaalsContact C-N 3.34Å; S1324-N1326 PolarHBondContact O-N 2.8Å | ||
| 1325 | P | 32.7 | Very low | 33.1 | Very low | 101.6 Ų | 101.6 | 117.5 Ų | 117.5 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | trans | -84.3 | 98.1 | 156.6 | 24.6 | -14.6 | 0 | 0 | 0 | 108.3 | N1323 | N1323-P1325 VanDerWaalsContact C-CD 3.48Å; N1323-P1325 WeakPolarHBondContact O-CD 3.43Å | ||
| 1326 | N | 30.9 | Very low | 33.3 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 82% | 0.824 | 65% | 0.647 | S | S | * | * | trans | 154.8 | 51.8 | 166.1 | -68.6 | -15 | 0 | 0 | 0 | 115.1 | S1324 V1328 | S1324-N1326 VanDerWaalsContact C-N 3.34Å; S1324-N1326 PolarHBondContact O-N 2.8Å; N1326-V1328 PolarHBondContact O-N 3.2Å; N1326-V1328 VanDerWaalsContact O-N 3.09Å | ||
| 1327 | S | 31.6 | Very low | 33.7 | Very low | 103.6 Ų | 103.6 | 114.3 Ų | 114.3 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | trans | -135.6 | 75.6 | 153.1 | 64.3 | 0 | 0 | 0 | 0 | 110.7 | N1329 | S1327-N1329 VanDerWaalsContact C-N 3.33Å; S1327-N1329 PolarHBondContact O-N 3.23Å; S1327-N1329 VanDerWaalsContact O-N 3.16Å | ||
| 1328 | V | 29.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 117 Ų | 117 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | trans | -88.8 | 87 | 167.8 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | N1326 P1330 K1469 | N1326-V1328 PolarHBondContact O-N 3.2Å; N1326-V1328 VanDerWaalsContact O-N 3.09Å; V1328-P1330 WeakPolarHBondContact O-CD 3.28Å; V1328-K1469 HydrophobicContact CG2-CG 4.48Å | ||
| 1329 | N | 29.7 | Very low | 35.9 | Very low | 148.2 Ų | 148.2 | 114.9 Ų | 114.9 | 79% | 0.793 | 65% | 0.648 | S | S | * | * | trans | -111.2 | 101.6 | 164.7 | -90.4 | -15.4 | 0 | 0 | 0 | 108.4 | S1327 V1331 | S1327-N1329 VanDerWaalsContact C-N 3.33Å; S1327-N1329 PolarHBondContact O-N 3.23Å; S1327-N1329 VanDerWaalsContact O-N 3.16Å; N1329-V1331 VanDerWaalsContact C-N 3.31Å; N1329-V1331 PolarHBondContact O-N 3.03Å; N1329-V1331 VanDerWaalsContact O-N 3.1Å | ||
| 1330 | P | 33.6 | Very low | 38.1 | Very low | 105 Ų | 105 | 111.5 Ų | 111.5 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -84 | 36.9 | -175.1 | 33.3 | -32.7 | 0 | 0 | 0 | 112.8 | V1328 M1332 | V1328-P1330 WeakPolarHBondContact O-CD 3.28Å; P1330-M1332 VanDerWaalsContact C-N 3.27Å; P1330-M1332 PolarHBondContact O-N 3Å | ||
| 1331 | V | 29.1 | Very low | 40.5 | Very low | 128.2 Ų | 128.2 | 106.9 Ų | 106.9 | 78% | 0.777 | 60% | 0.602 | S | S | * | * | trans | -122.7 | 39.3 | 176.9 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | N1329 E1333 | N1329-V1331 VanDerWaalsContact C-N 3.31Å; N1329-V1331 PolarHBondContact O-N 3.03Å; N1329-V1331 VanDerWaalsContact O-N 3.1Å; V1331-E1333 PolarHBondContact O-N 3.11Å | ||
| 1332 | M | 28.7 | Very low | 42.9 | Very low | 144 Ų | 144 | 103.2 Ų | 103.2 | 71% | 0.709 | 58% | 0.576 | S | S | * | * | trans | -114.8 | 53.9 | 171.1 | -112.4 | -109 | -164.1 | 0 | 0 | 110.9 | P1330 S1334 N1335 K1336 | P1330-M1332 VanDerWaalsContact C-N 3.27Å; P1330-M1332 PolarHBondContact O-N 3Å; M1332-S1334 PolarHBondContact O-N 3.47Å; M1332-N1335 HydrophobicContact CE-CB 4.43Å; M1332-K1336 WeakPolarHBondContact O-CE 3.36Å; M1332-K1336 WeakPolarHBondContact O-CG 3.22Å | ||
| 1333 | E | 31.5 | Very low | 45.4 | Very low | 158.6 Ų | 158.6 | 98.9 Ų | 98.9 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | trans | -80.9 | 22.6 | 176.3 | -76.9 | -176.8 | 154.9 | 0 | 0 | 112.9 | V1331 | V1331-E1333 PolarHBondContact O-N 3.11Š| ||
| 1334 | S | 36.9 | Very low | 47.9 | Very low | 101.8 Ų | 101.8 | 93 Ų | 93 | 71% | 0.712 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -115.3 | -16.1 | 176.5 | 65 | 0 | 0 | 0 | 0 | 119.2 | M1332 | M1332-S1334 PolarHBondContact O-N 3.47Š|
| 1335 | N | 36.2 | Very low | 50.6 | Low | 97.4 Ų | 97.4 | 88.5 Ų | 88.5 | 52% | 0.521 | 49% | 0.493 | S | S | . | . | trans | -101 | 8.3 | 179.8 | -77.7 | -15.9 | 0 | 0 | 0 | 114.8 | M1332 S1337 K1338 | M1332-N1335 HydrophobicContact CE-CB 4.43Å; N1335-S1337 PolarHBondContact O-N 3.36Å; N1335-S1337 VanDerWaalsContact O-N 3.1Å; N1335-K1338 PolarHBondContact O-N 3.08Å | ||
| 1336 | K | 43.8 | Very low | 53.1 | Low | 111 Ų | 111 | 87.7 Ų | 87.7 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -59.4 | -21.9 | -169.8 | -68.9 | -179.7 | 177 | 177.2 | 0 | 115.6 | M1332 N1388 | M1332-K1336 WeakPolarHBondContact O-CE 3.36Å; M1332-K1336 WeakPolarHBondContact O-CG 3.22Å; K1336-N1388 PolarHBondContact O-ND2 3.13Å; K1336-N1388 VanDerWaalsContact O-ND2 3.12Å |
| 1337 | S | 44.2 | Very low | 55.8 | Low | 77.8 Ų | 77.8 | 80.5 Ų | 80.5 | 54% | 0.544 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -87.1 | -9.4 | -175.4 | 61 | 0 | 0 | 0 | 0 | 114.9 | N1335 D1339 I1343 | N1335-S1337 PolarHBondContact O-N 3.36Å; N1335-S1337 VanDerWaalsContact O-N 3.1Å; S1337-D1339 VanDerWaalsContact C-N 3.32Å; S1337-D1339 PolarHBondContact O-N 3.28Å; S1337-I1343 WeakPolarHBondContact O-CD1 3.22Å |
| 1338 | K | 52.4 | Low | 58.3 | Low | 153 Ų | 153 | 79.2 Ų | 79.2 | 67% | 0.665 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -85.5 | -8.8 | -175.4 | -72.1 | -175.5 | 177.9 | 176.9 | 0 | 114.8 | N1335 C1340 | N1335-K1338 PolarHBondContact O-N 3.08Å; K1338-C1340 PolarHBondContact O-N 2.85Å |
| 1339 | D | 66.7 | Low | 60.9 | Low | 64.2 Ų | 64.2 | 77.2 Ų | 77.2 | 34% | 0.343 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -103.6 | 20.3 | -168.3 | -61.3 | -6.5 | 0 | 0 | 0 | 114.3 | S1337 F1386 S1387 N1388 | S1337-D1339 VanDerWaalsContact C-N 3.32Å; S1337-D1339 PolarHBondContact O-N 3.28Å; D1339-F1386 CarbonylContact O-C 3.59Å; D1339-F1386 VanDerWaalsContact O-CA 3.29Å; D1339-F1386 WeakPolarHBondContact O-CA 3.27Å; D1339-F1386 WeakPolarHBondContact O-CB 3.16Å; D1339-F1386 WeakPolarHBondContact O-CD1 3.41Å; D1339-S1387 VanDerWaalsContact CB-OG 3.23Å; D1339-S1387 WeakPolarHBondContact CB-OG 3.34Å; D1339-S1387 PolarHBondContact OD2-OG 3.19Å; D1339-S1387 VanDerWaalsContact OD2-OG 3.13Å; D1339-N1388 HydrophobicContact CB-CB 4.44Å |
| 1340 | C | 79.8 | Confident | 63.4 | Low | 7 Ų | 7 | 71.9 Ų | 71.9 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | trans | -101.2 | 138.6 | 178.1 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | K1338 W1342 I1343 Y1344 N1388 | K1338-C1340 PolarHBondContact O-N 2.85Å; C1340-W1342 VanDerWaalsContact C-N 3.31Å; C1340-W1342 HydrophobicContact CB-CD2 3.89Å; C1340-W1342 HydrophobicContact CB-CE3 4.27Å; C1340-W1342 HydrophobicContact CB-CG 4.46Å; C1340-W1342 HydrophobicContact CB-CH2 4.03Å; C1340-W1342 HydrophobicContact CB-CZ2 3.65Å; C1340-W1342 HydrophobicContact CB-CZ3 4.33Å; C1340-W1342 PolarHBondContact O-N 3.11Å; C1340-I1343 HydrophobicContact CB-CB 4.28Å; C1340-I1343 HydrophobicContact CB-CD1 3.96Å; C1340-I1343 HydrophobicContact CB-CG1 4.07Å; C1340-I1343 PolarHBondContact O-N 3.31Å; C1340-I1343 VanDerWaalsContact O-N 3.14Å; C1340-Y1344 PolarHBondContact O-N 3.22Å; C1340-N1388 PolarHBondContact SG-O 3.05Å; C1340-N1388 VanDerWaalsContact SG-O 3.35Å | ||
| 1341 | W | 84.5 | Confident | 65.7 | Low | 2.2 Ų | 2.2 | 67.2 Ų | 67.2 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -34.7 | -177.2 | 72 | -100.4 | 0 | 0 | 0 | 113.3 | F1279 L1283 L1302 I1343 Y1344 A1345 L1347 V1374 I1379 P1380 F1386 I1394 | F1279-W1341 HydrophobicContact CE1-CB 4.23Å; F1279-W1341 HydrophobicContact CE1-CG 4.45Å; F1279-W1341 HydrophobicContact CZ-CB 3.92Å; F1279-W1341 HydrophobicContact CZ-CD2 4.27Å; F1279-W1341 AromaticContact CZ-CG 3.85Å; F1279-W1341 HydrophobicContact CZ-CG 3.98Å; L1283-W1341 HydrophobicContact CD1-CB 3.81Å; L1283-W1341 HydrophobicContact CD2-CD2 4.48Å; L1283-W1341 HydrophobicContact CD2-CE3 3.59Å; L1283-W1341 HydrophobicContact CD2-CZ3 4.17Å; L1302-W1341 HydrophobicContact CD2-CZ3 4.25Å; W1341-I1343 VanDerWaalsContact C-N 3.34Å; W1341-Y1344 PolarHBondContact O-N 2.93Å; W1341-A1345 WeakPolarHBondContact O-CB 3.31Å; W1341-A1345 PolarHBondContact O-N 3.36Å; W1341-L1347 HydrophobicContact CH2-CD1 4.2Å; W1341-L1347 HydrophobicContact CZ3-CD1 3.82Å; W1341-V1374 HydrophobicContact CH2-CB 4.09Å; W1341-V1374 HydrophobicContact CH2-CG1 3.76Å; W1341-V1374 HydrophobicContact CZ2-CB 4.23Å; W1341-V1374 HydrophobicContact CZ2-CG1 3.68Å; W1341-V1374 HydrophobicContact CZ3-CG1 4.39Å; W1341-I1379 HydrophobicContact CD2-CD1 4.19Å; W1341-I1379 HydrophobicContact CG-CD1 4.33Å; W1341-I1379 HydrophobicContact CZ2-CD1 4.02Å; W1341-P1380 VanDerWaalsContact CD1-CG 3.49Å; W1341-P1380 HydrophobicContact CD2-CG 4.45Å; W1341-P1380 HydrophobicContact CG-CG 4.31Å; W1341-P1380 VanDerWaalsContact NE1-CG 3.3Å; W1341-F1386 HydrophobicContact CB-CD1 4.32Å; W1341-F1386 HydrophobicContact CB-CD2 4.04Å; W1341-F1386 HydrophobicContact CB-CE1 4.42Å; W1341-F1386 HydrophobicContact CB-CE2 4.14Å; W1341-F1386 HydrophobicContact CB-CG 4.14Å; W1341-F1386 HydrophobicContact CB-CZ 4.33Å; W1341-I1394 HydrophobicContact CZ2-CD1 4.23Å |
| 1342 | W | 85.7 | Confident | 68.2 | Low | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.011 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.6 | -29.8 | 178.8 | 55.7 | 90.9 | 0 | 0 | 0 | 112.7 | C1340 Q1346 L1347 N1388 I1394 W1397 | C1340-W1342 VanDerWaalsContact C-N 3.31Å; C1340-W1342 HydrophobicContact CB-CD2 3.89Å; C1340-W1342 HydrophobicContact CB-CE3 4.27Å; C1340-W1342 HydrophobicContact CB-CG 4.46Å; C1340-W1342 HydrophobicContact CB-CH2 4.03Å; C1340-W1342 HydrophobicContact CB-CZ2 3.65Å; C1340-W1342 HydrophobicContact CB-CZ3 4.33Å; C1340-W1342 PolarHBondContact O-N 3.11Å; W1342-Q1346 PolarHBondContact O-N 3.29Å; W1342-L1347 HydrophobicContact CB-CB 4.46Å; W1342-L1347 HydrophobicContact CB-CD1 3.94Å; W1342-L1347 HydrophobicContact CB-CG 4.43Å; W1342-L1347 WeakPolarHBondContact O-CB 3.12Å; W1342-L1347 PolarHBondContact O-N 3.24Å; W1342-N1388 WeakPolarHBondContact CH2-O 3.33Å; W1342-I1394 HydrophobicContact CD2-CD1 4.29Å; W1342-I1394 HydrophobicContact CD2-CG1 4.18Å; W1342-I1394 HydrophobicContact CE3-CB 4.33Å; W1342-I1394 HydrophobicContact CE3-CD1 3.77Å; W1342-I1394 HydrophobicContact CE3-CG1 3.89Å; W1342-I1394 HydrophobicContact CH2-CB 3.74Å; W1342-I1394 HydrophobicContact CH2-CD1 4.1Å; W1342-I1394 HydrophobicContact CH2-CG1 3.91Å; W1342-I1394 HydrophobicContact CZ2-CB 4Å; W1342-I1394 HydrophobicContact CZ2-CG1 4.06Å; W1342-I1394 HydrophobicContact CZ3-CB 3.92Å; W1342-I1394 HydrophobicContact CZ3-CD1 3.8Å; W1342-I1394 VanDerWaalsContact CZ3-CD1 3.5Å; W1342-I1394 HydrophobicContact CZ3-CG1 3.76Å; W1342-W1397 HydrophobicContact CB-CH2 4.38Å; W1342-W1397 HydrophobicContact CB-CZ3 4.33Å; W1342-W1397 AromaticContact CD1-CD2 3.49Å; W1342-W1397 VanDerWaalsContact CD1-CD2 3.46Å; W1342-W1397 AromaticContact CD1-CE2 3.61Å; W1342-W1397 AromaticContact CD1-CE3 3.58Å; W1342-W1397 AromaticContact CD1-CH2 3.87Å; W1342-W1397 AromaticContact CD1-CZ2 3.81Å; W1342-W1397 AromaticContact CD1-CZ3 3.78Å; W1342-W1397 HydrophobicContact CD2-CE3 4.49Å; W1342-W1397 HydrophobicContact CG-CD2 4.44Å; W1342-W1397 HydrophobicContact CG-CE3 4.17Å; W1342-W1397 HydrophobicContact CG-CH2 4.4Å; W1342-W1397 HydrophobicContact CG-CZ3 4.13Å; W1342-W1397 AromaticContact NE1-CD2 3.44Å; W1342-W1397 AromaticContact NE1-CE2 3.92Å; W1342-W1397 AromaticContact NE1-CE3 3.72Å; W1342-W1397 AromaticContact NE1-CG 3.56Å |
| 1343 | I | 83.6 | Confident | 70.7 | Confident | 56.2 Ų | 56.2 | 62.8 Ų | 62.8 | 29% | 0.288 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -75.2 | -43 | 173.7 | -63.4 | 176 | 0 | 0 | 0 | 109.7 | S1337 C1340 W1341 A1345 Q1346 | S1337-I1343 WeakPolarHBondContact O-CD1 3.22Å; C1340-I1343 HydrophobicContact CB-CB 4.28Å; C1340-I1343 HydrophobicContact CB-CD1 3.96Å; C1340-I1343 HydrophobicContact CB-CG1 4.07Å; C1340-I1343 PolarHBondContact O-N 3.31Å; C1340-I1343 VanDerWaalsContact O-N 3.14Å; W1341-I1343 VanDerWaalsContact C-N 3.34Å; I1343-A1345 VanDerWaalsContact C-N 3.29Å; I1343-A1345 PolarHBondContact O-N 3.17Å; I1343-Q1346 WeakPolarHBondContact O-CA 3.4Å; I1343-Q1346 PolarHBondContact O-N 3.16Å |
| 1344 | Y | 84.3 | Confident | 73 | Confident | 23.2 Ų | 23.2 | 59.6 Ų | 59.6 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 173.1 | 175.9 | -100.2 | 0 | 0 | 0 | 112 | S1231 P1233 L1283 S1284 R1287 C1340 W1341 Q1346 F1386 | S1231-Y1344 VanDerWaalsContact C-OH 3.29Å; S1231-Y1344 WeakPolarHBondContact CA-OH 3.34Å; S1231-Y1344 PolarHBondContact O-OH 3.03Å; P1233-Y1344 HydrophobicContact CB-CD2 3.94Å; P1233-Y1344 HydrophobicContact CB-CE2 4.01Å; P1233-Y1344 HydrophobicContact CG-CD2 4.1Å; P1233-Y1344 HydrophobicContact CG-CE1 4.41Å; P1233-Y1344 HydrophobicContact CG-CE2 4.01Å; P1233-Y1344 HydrophobicContact CG-CG 4.41Å; L1283-Y1344 HydrophobicContact CB-CD1 3.85Å; L1283-Y1344 HydrophobicContact CB-CE1 3.93Å; L1283-Y1344 HydrophobicContact CD1-CD1 4.1Å; S1284-Y1344 PolarHBondContact OG-OH 3.24Å; R1287-Y1344 WeakPolarHBondContact CD-O 3.25Å; R1287-Y1344 VanDerWaalsContact NH1-CE2 3.34Å; R1287-Y1344 PolarHBondContact NH2-OH 2.97Å; C1340-Y1344 PolarHBondContact O-N 3.22Å; W1341-Y1344 PolarHBondContact O-N 2.93Å; Y1344-Q1346 PolarHBondContact O-N 3.21Å; Y1344-F1386 HydrophobicContact CD1-CE1 4.34Å; Y1344-F1386 AromaticContact CD1-CZ 3.91Å; Y1344-F1386 HydrophobicContact CD1-CZ 3.91Å; Y1344-F1386 AromaticContact CG-CE1 3.95Å; Y1344-F1386 HydrophobicContact CG-CE1 3.98Å; Y1344-F1386 AromaticContact CG-CZ 3.98Å; Y1344-F1386 HydrophobicContact CG-CZ 4.01Å |
| 1345 | A | 86.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1283 I1286 W1341 I1343 L1347 | L1283-A1345 HydrophobicContact CB-CB 4.38Å; L1283-A1345 HydrophobicContact CD2-CB 4.14Å; I1286-A1345 HydrophobicContact CB-CB 4.46Å; I1286-A1345 HydrophobicContact CG2-CB 4.06Å; W1341-A1345 WeakPolarHBondContact O-CB 3.31Å; W1341-A1345 PolarHBondContact O-N 3.36Å; I1343-A1345 VanDerWaalsContact C-N 3.29Å; I1343-A1345 PolarHBondContact O-N 3.17Å; A1345-L1347 VanDerWaalsContact C-N 3.33Å; A1345-L1347 HydrophobicContact CB-CD2 4.39Å; A1345-L1347 HydrophobicContact CB-CG 4.06Å; A1345-L1347 PolarHBondContact O-N 3.06Å |
| 1346 | Q | 86.6 | Confident | 77.3 | Confident | 84.6 Ų | 84.6 | 55.5 Ų | 55.5 | 40% | 0.395 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 44.4 | -176.4 | -59.3 | -178.4 | -24.8 | 0 | 0 | 112.8 | R1287 W1342 I1343 Y1344 D1348 R1349 | R1287-Q1346 HydrophobicContact CG-CG 4.2Å; W1342-Q1346 PolarHBondContact O-N 3.29Å; I1343-Q1346 WeakPolarHBondContact O-CA 3.4Å; I1343-Q1346 PolarHBondContact O-N 3.16Å; Y1344-Q1346 PolarHBondContact O-N 3.21Å; Q1346-D1348 VanDerWaalsContact C-N 3.26Å; Q1346-D1348 VanDerWaalsContact CA-OD1 3.27Å; Q1346-D1348 WeakPolarHBondContact CA-OD1 3.39Å; Q1346-D1348 PolarHBondContact O-N 3.19Å; Q1346-R1349 WeakPolarHBondContact O-CD 3.34Å; Q1346-R1349 VanDerWaalsContact O-CG 3.23Å; Q1346-R1349 WeakPolarHBondContact O-CG 3.33Å; Q1346-R1349 PolarHBondContact O-N 3.05Å |
| 1347 | L | 86.5 | Confident | 79.2 | Confident | 2.6 Ų | 2.6 | 52.5 Ų | 52.5 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -71.4 | -23 | 179.3 | -66.3 | -174.5 | 0 | 0 | 0 | 112.9 | I1286 W1341 W1342 A1345 R1349 F1350 V1367 I1371 W1397 | I1286-L1347 HydrophobicContact CG2-CD2 3.76Å; W1341-L1347 HydrophobicContact CH2-CD1 4.2Å; W1341-L1347 HydrophobicContact CZ3-CD1 3.82Å; W1342-L1347 HydrophobicContact CB-CB 4.46Å; W1342-L1347 HydrophobicContact CB-CD1 3.94Å; W1342-L1347 HydrophobicContact CB-CG 4.43Å; W1342-L1347 WeakPolarHBondContact O-CB 3.12Å; W1342-L1347 PolarHBondContact O-N 3.24Å; A1345-L1347 VanDerWaalsContact C-N 3.33Å; A1345-L1347 HydrophobicContact CB-CD2 4.39Å; A1345-L1347 HydrophobicContact CB-CG 4.06Å; A1345-L1347 PolarHBondContact O-N 3.06Å; L1347-R1349 VanDerWaalsContact C-N 3.26Å; L1347-R1349 PolarHBondContact O-N 3.07Å; L1347-F1350 HydrophobicContact CD2-CD2 4.33Å; L1347-F1350 HydrophobicContact CD2-CE2 4.38Å; L1347-F1350 PolarHBondContact O-N 3.01Å; L1347-F1350 VanDerWaalsContact O-N 3.16Å; L1347-V1367 HydrophobicContact CD2-CG1 4.28Å; L1347-I1371 HydrophobicContact CD1-CD1 4.19Å; L1347-I1371 HydrophobicContact CD1-CG1 3.82Å; L1347-W1397 HydrophobicContact CB-CH2 4.19Å |
| 1348 | D | 83.5 | Confident | 81.1 | Confident | 76 Ų | 76 | 50.4 Ų | 50.4 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -55.9 | -35.5 | 174.8 | 62.4 | -42.9 | 0 | 0 | 0 | 112.9 | Q1346 F1350 M1351 S1352 W1397 | Q1346-D1348 VanDerWaalsContact C-N 3.26Å; Q1346-D1348 VanDerWaalsContact CA-OD1 3.27Å; Q1346-D1348 WeakPolarHBondContact CA-OD1 3.39Å; Q1346-D1348 PolarHBondContact O-N 3.19Å; D1348-F1350 PolarHBondContact O-N 3Å; D1348-F1350 VanDerWaalsContact O-N 3.16Å; D1348-M1351 CarbonylContact O-C 3.43Å; D1348-M1351 WeakPolarHBondContact O-CA 3.44Å; D1348-M1351 PolarHBondContact O-N 3.11Å; D1348-S1352 PolarHBondContact O-N 3.3Å; D1348-S1352 VanDerWaalsContact O-N 3.1Å; D1348-W1397 HydrophobicContact CB-CZ2 4.31Å |
| 1349 | R | 84.1 | Confident | 82.6 | Confident | 76.2 Ų | 76.2 | 45.4 Ų | 45.4 | 29% | 0.288 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -60.9 | -27.9 | 179 | 82.6 | -166.3 | 174.5 | -179 | -2.4 | 113.7 | I1286 R1287 Q1346 L1347 M1351 S1352 | I1286-R1349 PolarHBondContact O-NH2 3.15Å; R1287-R1349 PolarHBondContact O-NH1 3.05Å; R1287-R1349 PolarHBondContact O-NH2 3.31Å; R1287-R1349 VanDerWaalsContact O-NH2 3.13Å; Q1346-R1349 WeakPolarHBondContact O-CD 3.34Å; Q1346-R1349 VanDerWaalsContact O-CG 3.23Å; Q1346-R1349 WeakPolarHBondContact O-CG 3.33Å; Q1346-R1349 PolarHBondContact O-N 3.05Å; L1347-R1349 VanDerWaalsContact C-N 3.26Å; L1347-R1349 PolarHBondContact O-N 3.07Å; R1349-M1351 VanDerWaalsContact C-N 3.3Å; R1349-M1351 PolarHBondContact O-N 3.07Å; R1349-S1352 PolarHBondContact O-OG 3.21Å; R1349-S1352 VanDerWaalsContact O-OG 3.1Å |
| 1350 | F | 82.3 | Confident | 83.5 | Confident | 37.2 Ų | 37.2 | 43.9 Ų | 43.9 | 16% | 0.163 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -82.6 | -13.2 | 177.6 | -58.1 | -70 | 0 | 0 | 0 | 112.6 | L1295 L1347 D1348 L1363 V1367 | L1295-F1350 HydrophobicContact CD1-CE2 4.28Å; L1295-F1350 HydrophobicContact CD1-CZ 4.06Å; L1295-F1350 HydrophobicContact CD2-CD1 4.24Å; L1295-F1350 HydrophobicContact CD2-CE1 3.42Å; L1295-F1350 VanDerWaalsContact CD2-CE1 3.42Å; L1295-F1350 HydrophobicContact CD2-CE2 3.96Å; L1295-F1350 HydrophobicContact CD2-CZ 3.24Å; L1295-F1350 HydrophobicContact CG-CZ 4.31Å; L1347-F1350 HydrophobicContact CD2-CD2 4.33Å; L1347-F1350 HydrophobicContact CD2-CE2 4.38Å; L1347-F1350 PolarHBondContact O-N 3.01Å; L1347-F1350 VanDerWaalsContact O-N 3.16Å; D1348-F1350 PolarHBondContact O-N 3Å; D1348-F1350 VanDerWaalsContact O-N 3.16Å; F1350-L1363 HydrophobicContact CD1-CD2 4.16Å; F1350-L1363 HydrophobicContact CE1-CD2 4.17Å; F1350-V1367 HydrophobicContact CB-CG1 4.48Å; F1350-V1367 HydrophobicContact CB-CG2 4.5Å; F1350-V1367 HydrophobicContact CD2-CG1 4.43Å; F1350-V1367 HydrophobicContact CD2-CG2 4.38Å; F1350-V1367 HydrophobicContact CG-CG2 4.42Å |
| 1351 | M | 82.7 | Confident | 83.9 | Confident | 7.4 Ų | 7.4 | 44.2 Ų | 44.2 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -105.7 | 4 | 179.4 | -56.3 | -63.5 | 171.1 | 0 | 0 | 112.3 | D1348 R1349 L1364 V1367 L1368 I1371 L1401 P1408 L1409 | D1348-M1351 CarbonylContact O-C 3.43Å; D1348-M1351 WeakPolarHBondContact O-CA 3.44Å; D1348-M1351 PolarHBondContact O-N 3.11Å; R1349-M1351 VanDerWaalsContact C-N 3.3Å; R1349-M1351 PolarHBondContact O-N 3.07Å; M1351-L1364 HydrophobicContact CE-CD1 3.64Å; M1351-L1364 VanDerWaalsContact CE-CD1 3.49Å; M1351-L1364 HydrophobicContact SD-CD1 3.41Å; M1351-L1364 VanDerWaalsContact SD-CD1 3.5Å; M1351-L1364 WeakPolarHBondContact SD-CD1 3.36Å; M1351-V1367 HydrophobicContact CE-CB 4.39Å; M1351-V1367 HydrophobicContact CE-CG1 3.73Å; M1351-L1368 HydrophobicContact CE-CD2 3.36Å; M1351-L1368 VanDerWaalsContact CE-CD2 3.44Å; M1351-L1368 HydrophobicContact CE-CG 3.88Å; M1351-L1368 HydrophobicContact SD-CD2 4.13Å; M1351-I1371 HydrophobicContact CE-CD1 3.88Å; M1351-L1401 HydrophobicContact CB-CD1 4.12Å; M1351-L1401 HydrophobicContact CB-CD2 3.99Å; M1351-L1401 HydrophobicContact CG-CD1 3.98Å; M1351-P1408 VanDerWaalsContact C-CG 3.45Å; M1351-P1408 WeakPolarHBondContact O-CD 3.31Å; M1351-P1408 VanDerWaalsContact O-CG 3.29Å; M1351-P1408 WeakPolarHBondContact O-CG 3.28Å; M1351-L1409 HydrophobicContact SD-CD1 4.22Å; M1351-L1409 HydrophobicContact SD-CD2 4.08Å; M1351-L1409 HydrophobicContact SD-CG 4.22Å |
| 1352 | S | 81.2 | Confident | 84 | Confident | 86.4 Ų | 86.4 | 47.1 Ų | 47.1 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -101 | -16.7 | 178.8 | 64 | 0 | 0 | 0 | 0 | 113.6 | D1348 R1349 | D1348-S1352 PolarHBondContact O-N 3.3Å; D1348-S1352 VanDerWaalsContact O-N 3.1Å; R1349-S1352 PolarHBondContact O-OG 3.21Å; R1349-S1352 VanDerWaalsContact O-OG 3.1Å |
| 1353 | T | 81.2 | Confident | 84.1 | Confident | 92.2 Ų | 92.2 | 47.5 Ų | 47.5 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -118.7 | 138.6 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1354 | L | 80.9 | Confident | 84.3 | Confident | 92.8 Ų | 92.8 | 45.2 Ų | 45.2 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | trans | -70.3 | 131.9 | 177.6 | -75.7 | 161.5 | 0 | 0 | 0 | 110.7 | S1356 P1408 Y1411 | L1354-S1356 PolarHBondContact O-N 3.33Å; L1354-P1408 HydrophobicContact CD2-CB 4.31Å; L1354-Y1411 HydrophobicContact CD2-CD1 3.53Å; L1354-Y1411 VanDerWaalsContact CD2-CD1 3.48Å; L1354-Y1411 HydrophobicContact CD2-CD2 4.2Å; L1354-Y1411 HydrophobicContact CD2-CE1 4.21Å; L1354-Y1411 HydrophobicContact CD2-CG 3.52Å; L1354-Y1411 VanDerWaalsContact CD2-CG 3.45Å | ||
| 1355 | P | 82.7 | Confident | 84.5 | Confident | 14.4 Ų | 14.4 | 44.1 Ų | 44.1 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | trans | -66.7 | 129.4 | 178 | 26.7 | -33.9 | 0 | 0 | 0 | 111 | D1360 Y1361 L1364 | P1355-D1360 HydrophobicContact CB-CB 3.76Å; P1355-Y1361 HydrophobicContact CB-CD1 4.12Å; P1355-Y1361 HydrophobicContact CB-CD2 3.95Å; P1355-Y1361 HydrophobicContact CB-CE1 4.09Å; P1355-Y1361 HydrophobicContact CB-CE2 3.91Å; P1355-Y1361 HydrophobicContact CB-CG 4.04Å; P1355-Y1361 HydrophobicContact CG-CD1 3.87Å; P1355-Y1361 HydrophobicContact CG-CD2 4.34Å; P1355-Y1361 HydrophobicContact CG-CE1 3.47Å; P1355-Y1361 VanDerWaalsContact CG-CE1 3.44Å; P1355-Y1361 HydrophobicContact CG-CE2 4.05Å; P1355-Y1361 HydrophobicContact CG-CG 4.24Å; P1355-Y1361 VanDerWaalsContact O-CE2 3.25Å; P1355-Y1361 WeakPolarHBondContact O-CE2 3.32Å; P1355-Y1361 PolarHBondContact O-OH 3.44Å; P1355-Y1361 VanDerWaalsContact O-OH 3.12Å; P1355-L1364 HydrophobicContact CG-CD2 4.11Å | ||
| 1356 | S | 80.9 | Confident | 84.5 | Confident | 97.6 Ų | 97.6 | 45.5 Ų | 45.5 | 68% | 0.683 | 26% | 0.262 | S | S | * | . | trans | -103.6 | -33.4 | -172.2 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | L1354 D1360 | L1354-S1356 PolarHBondContact O-N 3.33Å; S1356-D1360 PolarHBondContact N-OD2 3.06Å; S1356-D1360 PolarHBondContact OG-OD2 3.11Å | ||
| 1357 | C | 82.3 | Confident | 84.7 | Confident | 48.2 Ų | 48.2 | 41.5 Ų | 41.5 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -132.3 | 172.1 | -175.7 | 74 | 0 | 0 | 0 | 0 | 112.5 | S1359 D1360 Y1361 | C1357-S1359 PolarHBondContact O-N 3.14Å; C1357-S1359 VanDerWaalsContact O-N 3.15Å; C1357-S1359 PolarHBondContact SG-OG 3.05Å; C1357-D1360 PolarHBondContact N-OD2 3.11Å; C1357-D1360 VanDerWaalsContact N-OD2 3.1Å; C1357-D1360 WeakPolarHBondContact O-CB 3.34Å; C1357-D1360 PolarHBondContact O-N 3.1Å; C1357-D1360 PolarHBondContact SG-OD1 3.08Å; C1357-D1360 PolarHBondContact SG-OD2 3.22Å; C1357-Y1361 VanDerWaalsContact O-CD2 3.32Å; C1357-Y1361 WeakPolarHBondContact O-CD2 3.26Å; C1357-Y1361 PolarHBondContact O-N 3.1Å; C1357-Y1361 VanDerWaalsContact O-N 3.16Å |
| 1358 | S | 84 | Confident | 84.8 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -32.1 | -172.4 | 63.4 | 0 | 0 | 0 | 0 | 113.2 | N1362 A1431 | S1358-N1362 WeakPolarHBondContact O-CB 3.44Å; S1358-N1362 PolarHBondContact O-N 3.22Å; S1358-N1362 VanDerWaalsContact O-N 3.12Å; S1358-N1362 PolarHBondContact O-ND2 3.1Å; S1358-N1362 VanDerWaalsContact O-ND2 3.09Å; S1358-A1431 WeakPolarHBondContact O-CB 3.39Å |
| 1359 | S | 84.2 | Confident | 84.9 | Confident | 47.4 Ų | 47.4 | 39.8 Ų | 39.8 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.4 | -35.7 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | H1292 C1357 N1362 L1363 | H1292-S1359 PolarHBondContact CE1-OG 3.19Å; H1292-S1359 WeakPolarHBondContact ND1-CB 3.4Å; H1292-S1359 PolarHBondContact ND1-OG 3.45Å; C1357-S1359 PolarHBondContact O-N 3.14Å; C1357-S1359 VanDerWaalsContact O-N 3.15Å; C1357-S1359 PolarHBondContact SG-OG 3.05Å; S1359-N1362 PolarHBondContact O-N 3.33Å; S1359-L1363 VanDerWaalsContact O-CB 3.26Å; S1359-L1363 WeakPolarHBondContact O-CB 3.4Å; S1359-L1363 PolarHBondContact O-N 3.11Å |
| 1360 | D | 86.4 | Confident | 85 | Confident | 33.8 Ų | 33.8 | 36.8 Ų | 36.8 | 18% | 0.181 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | -179.8 | -51.2 | -16.9 | 0 | 0 | 0 | 110.3 | H1292 P1355 S1356 C1357 N1362 L1363 L1364 | H1292-D1360 IonicContact CE1-OD1 3.42Å; H1292-D1360 PolarHBondContact CE1-OD1 3.25Å; H1292-D1360 VanDerWaalsContact CE1-OD1 3.3Å; H1292-D1360 IonicContact NE2-OD1 2.91Å; P1355-D1360 HydrophobicContact CB-CB 3.76Å; S1356-D1360 PolarHBondContact N-OD2 3.06Å; S1356-D1360 PolarHBondContact OG-OD2 3.11Å; C1357-D1360 PolarHBondContact N-OD2 3.11Å; C1357-D1360 VanDerWaalsContact N-OD2 3.1Å; C1357-D1360 WeakPolarHBondContact O-CB 3.34Å; C1357-D1360 PolarHBondContact O-N 3.1Å; C1357-D1360 PolarHBondContact SG-OD1 3.08Å; C1357-D1360 PolarHBondContact SG-OD2 3.22Å; D1360-N1362 VanDerWaalsContact C-N 3.35Å; D1360-N1362 PolarHBondContact O-N 3.28Å; D1360-L1363 WeakPolarHBondContact O-CB 3.33Å; D1360-L1363 PolarHBondContact O-N 3.01Å; D1360-L1364 VanDerWaalsContact O-CB 3.3Å; D1360-L1364 WeakPolarHBondContact O-CB 3.29Å; D1360-L1364 PolarHBondContact O-N 3Å |
| 1361 | Y | 86.6 | Confident | 85.1 | Confident | 12.2 Ų | 12.2 | 35 Ų | 35 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.3 | -81.1 | -79.8 | 0 | 0 | 0 | 112.3 | P1355 C1357 L1363 L1364 A1365 L1428 K1432 L1435 | P1355-Y1361 HydrophobicContact CB-CD1 4.12Å; P1355-Y1361 HydrophobicContact CB-CD2 3.95Å; P1355-Y1361 HydrophobicContact CB-CE1 4.09Å; P1355-Y1361 HydrophobicContact CB-CE2 3.91Å; P1355-Y1361 HydrophobicContact CB-CG 4.04Å; P1355-Y1361 HydrophobicContact CG-CD1 3.87Å; P1355-Y1361 HydrophobicContact CG-CD2 4.34Å; P1355-Y1361 HydrophobicContact CG-CE1 3.47Å; P1355-Y1361 VanDerWaalsContact CG-CE1 3.44Å; P1355-Y1361 HydrophobicContact CG-CE2 4.05Å; P1355-Y1361 HydrophobicContact CG-CG 4.24Å; P1355-Y1361 VanDerWaalsContact O-CE2 3.25Å; P1355-Y1361 WeakPolarHBondContact O-CE2 3.32Å; P1355-Y1361 PolarHBondContact O-OH 3.44Å; P1355-Y1361 VanDerWaalsContact O-OH 3.12Å; C1357-Y1361 VanDerWaalsContact O-CD2 3.32Å; C1357-Y1361 WeakPolarHBondContact O-CD2 3.26Å; C1357-Y1361 PolarHBondContact O-N 3.1Å; C1357-Y1361 VanDerWaalsContact O-N 3.16Å; Y1361-L1363 VanDerWaalsContact C-N 3.31Å; Y1361-L1363 PolarHBondContact O-N 3.1Å; Y1361-L1364 PolarHBondContact O-N 3.19Å; Y1361-A1365 WeakPolarHBondContact O-CB 3.4Å; Y1361-A1365 PolarHBondContact O-N 3.01Å; Y1361-L1428 HydrophobicContact CD2-CD1 3.75Å; Y1361-L1428 HydrophobicContact CE2-CD1 3.96Å; Y1361-K1432 HydrophobicContact CD1-CB 4.45Å; Y1361-K1432 HydrophobicContact CD1-CG 3.81Å; Y1361-K1432 HydrophobicContact CD2-CG 3.9Å; Y1361-K1432 HydrophobicContact CE1-CB 4.46Å; Y1361-K1432 HydrophobicContact CE1-CD 4.49Å; Y1361-K1432 HydrophobicContact CE1-CG 3.63Å; Y1361-K1432 HydrophobicContact CE2-CD 4.21Å; Y1361-K1432 VanDerWaalsContact CE2-CE 3.45Å; Y1361-K1432 HydrophobicContact CE2-CG 3.73Å; Y1361-K1432 HydrophobicContact CG-CG 3.96Å; Y1361-K1432 VanDerWaalsContact CZ-CE 3.47Å; Y1361-K1432 VanDerWaalsContact CZ-CG 3.48Å; Y1361-K1432 WeakPolarHBondContact OH-CE 3.31Å; Y1361-L1435 HydrophobicContact CD1-CB 4.47Å; Y1361-L1435 HydrophobicContact CD1-CD2 3.64Å; Y1361-L1435 HydrophobicContact CE1-CD2 4.13Å |
| 1362 | N | 86.5 | Confident | 85.3 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -36 | 177.1 | -74.9 | -28.6 | 0 | 0 | 0 | 112.1 | N403 S1358 S1359 D1360 A1365 S1366 A1431 | N403-N1362 PolarHBondContact ND2-O 2.96Å; S1358-N1362 WeakPolarHBondContact O-CB 3.44Å; S1358-N1362 PolarHBondContact O-N 3.22Å; S1358-N1362 VanDerWaalsContact O-N 3.12Å; S1358-N1362 PolarHBondContact O-ND2 3.1Å; S1358-N1362 VanDerWaalsContact O-ND2 3.09Å; S1359-N1362 PolarHBondContact O-N 3.33Å; D1360-N1362 VanDerWaalsContact C-N 3.35Å; D1360-N1362 PolarHBondContact O-N 3.28Å; N1362-A1365 PolarHBondContact O-N 2.89Å; N1362-S1366 WeakPolarHBondContact O-CB 3.32Å; N1362-S1366 PolarHBondContact O-N 3.04Å; N1362-S1366 PolarHBondContact O-OG 3.1Å; N1362-A1431 VanDerWaalsContact OD1-CB 3.31Å; N1362-A1431 WeakPolarHBondContact OD1-CB 3.36Å |
| 1363 | L | 87.9 | Confident | 85.3 | Confident | 11.8 Ų | 11.8 | 34.8 Ų | 34.8 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -49.8 | 176.2 | -174.8 | 71.4 | 0 | 0 | 0 | 110.7 | H1292 L1295 L1296 F1350 S1359 D1360 Y1361 A1365 S1366 V1367 | H1292-L1363 HydrophobicContact CB-CD1 4.24Å; H1292-L1363 VanDerWaalsContact CD2-CD2 3.5Å; H1292-L1363 WeakPolarHBondContact CD2-CD2 2.9Å; L1295-L1363 HydrophobicContact CB-CD1 4.26Å; L1295-L1363 HydrophobicContact CD2-CD1 3.43Å; L1295-L1363 VanDerWaalsContact CD2-CD1 3.49Å; L1295-L1363 HydrophobicContact CD2-CD2 3.81Å; L1295-L1363 HydrophobicContact CD2-CG 3.92Å; L1295-L1363 HydrophobicContact CG-CD1 3.95Å; L1296-L1363 HydrophobicContact CD2-CD1 4.19Å; L1296-L1363 HydrophobicContact CG-CD1 4.28Å; F1350-L1363 HydrophobicContact CD1-CD2 4.16Å; F1350-L1363 HydrophobicContact CE1-CD2 4.17Å; S1359-L1363 VanDerWaalsContact O-CB 3.26Å; S1359-L1363 WeakPolarHBondContact O-CB 3.4Å; S1359-L1363 PolarHBondContact O-N 3.11Å; D1360-L1363 WeakPolarHBondContact O-CB 3.33Å; D1360-L1363 PolarHBondContact O-N 3.01Å; Y1361-L1363 VanDerWaalsContact C-N 3.31Å; Y1361-L1363 PolarHBondContact O-N 3.1Å; L1363-A1365 VanDerWaalsContact C-N 3.3Å; L1363-A1365 PolarHBondContact O-N 3.33Å; L1363-S1366 CarbonylContact O-C 3.58Å; L1363-S1366 WeakPolarHBondContact O-CA 3.43Å; L1363-S1366 WeakPolarHBondContact O-CB 3.29Å; L1363-S1366 PolarHBondContact O-N 3.11Å; L1363-S1366 VanDerWaalsContact O-N 3.11Å; L1363-V1367 WeakPolarHBondContact O-CG2 3.36Å; L1363-V1367 PolarHBondContact O-N 2.96Å |
| 1364 | L | 88.6 | Confident | 85.2 | Confident | 7.2 Ų | 7.2 | 30.4 Ų | 30.4 | 4% | 0.038 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.9 | -178.7 | 58.9 | 0 | 0 | 0 | 111.1 | M1351 P1355 D1360 Y1361 S1366 V1367 L1368 P1408 L1435 | M1351-L1364 HydrophobicContact CE-CD1 3.64Å; M1351-L1364 VanDerWaalsContact CE-CD1 3.49Å; M1351-L1364 HydrophobicContact SD-CD1 3.41Å; M1351-L1364 VanDerWaalsContact SD-CD1 3.5Å; M1351-L1364 WeakPolarHBondContact SD-CD1 3.36Å; P1355-L1364 HydrophobicContact CG-CD2 4.11Å; D1360-L1364 VanDerWaalsContact O-CB 3.3Å; D1360-L1364 WeakPolarHBondContact O-CB 3.29Å; D1360-L1364 PolarHBondContact O-N 3Å; Y1361-L1364 PolarHBondContact O-N 3.19Å; L1364-S1366 VanDerWaalsContact C-N 3.34Å; L1364-S1366 PolarHBondContact O-N 3.29Å; L1364-V1367 PolarHBondContact O-N 3.13Å; L1364-L1368 HydrophobicContact CD1-CG 4.45Å; L1364-L1368 HydrophobicContact CG-CD1 4.42Å; L1364-L1368 WeakPolarHBondContact O-CG 3.32Å; L1364-L1368 PolarHBondContact O-N 3.06Å; L1364-P1408 HydrophobicContact CD2-CB 4.34Å; L1364-L1435 HydrophobicContact CB-CD1 4.41Å; L1364-L1435 HydrophobicContact CD2-CD1 4.33Å; L1364-L1435 HydrophobicContact CD2-CD2 3.71Å; L1364-L1435 HydrophobicContact CG-CD1 4.03Å; L1364-L1435 HydrophobicContact CG-CD2 4.27Å |
| 1365 | A | 87.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1361 N1362 L1363 V1367 L1368 C1369 L1435 A1439 | Y1361-A1365 WeakPolarHBondContact O-CB 3.4Å; Y1361-A1365 PolarHBondContact O-N 3.01Å; N1362-A1365 PolarHBondContact O-N 2.89Å; L1363-A1365 VanDerWaalsContact C-N 3.3Å; L1363-A1365 PolarHBondContact O-N 3.33Å; A1365-V1367 PolarHBondContact O-N 3.1Å; A1365-L1368 PolarHBondContact O-N 2.97Å; A1365-C1369 WeakPolarHBondContact O-CB 3.34Å; A1365-C1369 PolarHBondContact O-N 3.03Å; A1365-C1369 PolarHBondContact O-SG 3.35Å; A1365-L1435 HydrophobicContact CB-CB 4.36Å; A1365-L1435 HydrophobicContact CB-CD1 3.86Å; A1365-A1439 HydrophobicContact CB-CB 4.17Å |
| 1366 | S | 88.3 | Confident | 84.9 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 21% | 0.21 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | Y406 L1296 N1362 L1363 L1364 C1369 A1370 | Y406-S1366 WeakPolarHBondContact OH-CB 3.35Å; Y406-S1366 PolarHBondContact OH-OG 3.04Å; L1296-S1366 VanDerWaalsContact CD2-CB 3.44Å; L1296-S1366 VanDerWaalsContact CD2-OG 3.29Å; L1296-S1366 WeakPolarHBondContact CD2-OG 3.33Å; N1362-S1366 WeakPolarHBondContact O-CB 3.32Å; N1362-S1366 PolarHBondContact O-N 3.04Å; N1362-S1366 PolarHBondContact O-OG 3.1Å; L1363-S1366 CarbonylContact O-C 3.58Å; L1363-S1366 WeakPolarHBondContact O-CA 3.43Å; L1363-S1366 WeakPolarHBondContact O-CB 3.29Å; L1363-S1366 PolarHBondContact O-N 3.11Å; L1363-S1366 VanDerWaalsContact O-N 3.11Å; L1364-S1366 VanDerWaalsContact C-N 3.34Å; L1364-S1366 PolarHBondContact O-N 3.29Å; S1366-C1369 PolarHBondContact O-N 3.17Å; S1366-A1370 WeakPolarHBondContact O-CB 3.42Å; S1366-A1370 PolarHBondContact O-N 3.16Å |
| 1367 | V | 89.5 | Confident | 84.5 | Confident | 0.4 Ų | 0.4 | 24.8 Ų | 24.8 | 0% | 0.002 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | L1295 L1299 L1347 F1350 M1351 L1363 L1364 A1365 C1369 A1370 I1371 | L1295-V1367 HydrophobicContact CD2-CG2 4.3Å; L1299-V1367 HydrophobicContact CD1-CG2 4.03Å; L1347-V1367 HydrophobicContact CD2-CG1 4.28Å; F1350-V1367 HydrophobicContact CB-CG1 4.48Å; F1350-V1367 HydrophobicContact CB-CG2 4.5Å; F1350-V1367 HydrophobicContact CD2-CG1 4.43Å; F1350-V1367 HydrophobicContact CD2-CG2 4.38Å; F1350-V1367 HydrophobicContact CG-CG2 4.42Å; M1351-V1367 HydrophobicContact CE-CB 4.39Å; M1351-V1367 HydrophobicContact CE-CG1 3.73Å; L1363-V1367 WeakPolarHBondContact O-CG2 3.36Å; L1363-V1367 PolarHBondContact O-N 2.96Å; L1364-V1367 PolarHBondContact O-N 3.13Å; A1365-V1367 PolarHBondContact O-N 3.1Å; V1367-C1369 PolarHBondContact O-N 2.74Å; V1367-A1370 WeakPolarHBondContact O-CB 3.37Å; V1367-A1370 PolarHBondContact O-N 3.14Å; V1367-A1370 VanDerWaalsContact O-N 3.13Å; V1367-I1371 HydrophobicContact CG1-CD1 3.85Å; V1367-I1371 HydrophobicContact CG1-CG1 4.46Å; V1367-I1371 WeakPolarHBondContact O-CG1 3.34Å; V1367-I1371 PolarHBondContact O-N 3.14Å |
| 1368 | L | 88.7 | Confident | 83.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.3 | -70 | 174.3 | 0 | 0 | 0 | 112 | M1351 L1364 A1365 A1370 I1371 H1372 L1409 L1435 L1440 L1443 | M1351-L1368 HydrophobicContact CE-CD2 3.36Å; M1351-L1368 VanDerWaalsContact CE-CD2 3.44Å; M1351-L1368 HydrophobicContact CE-CG 3.88Å; M1351-L1368 HydrophobicContact SD-CD2 4.13Å; L1364-L1368 HydrophobicContact CD1-CG 4.45Å; L1364-L1368 HydrophobicContact CG-CD1 4.42Å; L1364-L1368 WeakPolarHBondContact O-CG 3.32Å; L1364-L1368 PolarHBondContact O-N 3.06Å; A1365-L1368 PolarHBondContact O-N 2.97Å; L1368-A1370 VanDerWaalsContact C-N 3.28Å; L1368-A1370 PolarHBondContact O-N 3.05Å; L1368-I1371 PolarHBondContact O-N 3.02Å; L1368-H1372 VanDerWaalsContact O-CB 3.23Å; L1368-H1372 WeakPolarHBondContact O-CB 3.41Å; L1368-H1372 PolarHBondContact O-N 3.08Å; L1368-L1409 HydrophobicContact CD1-CD2 3.85Å; L1368-L1409 HydrophobicContact CD2-CD1 4.38Å; L1368-L1409 HydrophobicContact CD2-CD2 4.02Å; L1368-L1409 HydrophobicContact CG-CD2 4.44Å; L1368-L1435 HydrophobicContact CD1-CD1 3.63Å; L1368-L1440 HydrophobicContact CD1-CD1 4.35Å; L1368-L1443 HydrophobicContact CD2-CD2 3.78Å |
| 1369 | C | 87 | Confident | 82.9 | Confident | 42.2 Ų | 42.2 | 23.8 Ų | 23.8 | 29% | 0.285 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 173.8 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | Y1303 A1365 S1366 V1367 H1372 E1373 | Y1303-C1369 PolarHBondContact OH-O 3.23Å; A1365-C1369 WeakPolarHBondContact O-CB 3.34Å; A1365-C1369 PolarHBondContact O-N 3.03Å; A1365-C1369 PolarHBondContact O-SG 3.35Å; S1366-C1369 PolarHBondContact O-N 3.17Å; V1367-C1369 PolarHBondContact O-N 2.74Å; C1369-H1372 PolarHBondContact O-N 2.95Å; C1369-E1373 WeakPolarHBondContact O-CB 3.3Å; C1369-E1373 WeakPolarHBondContact O-CG 3.32Å; C1369-E1373 PolarHBondContact O-N 3.11Å |
| 1370 | A | 84.7 | Confident | 81.4 | Confident | 12.4 Ų | 12.4 | 22 Ų | 22 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1299 Y1303 S1366 V1367 L1368 H1372 E1373 V1374 | L1299-A1370 HydrophobicContact CD1-CB 4.41Å; L1299-A1370 HydrophobicContact CD2-CB 3.76Å; Y1303-A1370 HydrophobicContact CE2-CB 4.26Å; Y1303-A1370 WeakPolarHBondContact OH-CA 3.16Å; Y1303-A1370 PolarHBondContact OH-N 3.41Å; S1366-A1370 WeakPolarHBondContact O-CB 3.42Å; S1366-A1370 PolarHBondContact O-N 3.16Å; V1367-A1370 WeakPolarHBondContact O-CB 3.37Å; V1367-A1370 PolarHBondContact O-N 3.14Å; V1367-A1370 VanDerWaalsContact O-N 3.13Å; L1368-A1370 VanDerWaalsContact C-N 3.28Å; L1368-A1370 PolarHBondContact O-N 3.05Å; A1370-H1372 VanDerWaalsContact C-N 3.3Å; A1370-H1372 PolarHBondContact O-N 3.21Å; A1370-E1373 PolarHBondContact O-N 3.14Å; A1370-V1374 WeakPolarHBondContact O-CA 3.34Å; A1370-V1374 WeakPolarHBondContact O-CB 3.44Å; A1370-V1374 VanDerWaalsContact O-CG2 3.25Å; A1370-V1374 WeakPolarHBondContact O-CG2 3.4Å; A1370-V1374 PolarHBondContact O-N 3.12Å |
| 1371 | I | 85.7 | Confident | 79.7 | Confident | 0.6 Ų | 0.6 | 23.8 Ų | 23.8 | 0% | 0.003 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.3 | -66.8 | 163.1 | 0 | 0 | 0 | 110.7 | L1347 M1351 V1367 L1368 G1375 L1376 I1394 W1397 L1398 | L1347-I1371 HydrophobicContact CD1-CD1 4.19Å; L1347-I1371 HydrophobicContact CD1-CG1 3.82Å; M1351-I1371 HydrophobicContact CE-CD1 3.88Å; V1367-I1371 HydrophobicContact CG1-CD1 3.85Å; V1367-I1371 HydrophobicContact CG1-CG1 4.46Å; V1367-I1371 WeakPolarHBondContact O-CG1 3.34Å; V1367-I1371 PolarHBondContact O-N 3.14Å; L1368-I1371 PolarHBondContact O-N 3.02Å; I1371-G1375 CarbonylContact O-C 3.28Å; I1371-G1375 VanDerWaalsContact O-CA 3.23Å; I1371-G1375 WeakPolarHBondContact O-CA 3.42Å; I1371-G1375 PolarHBondContact O-N 3.16Å; I1371-L1376 PolarHBondContact O-N 2.83Å; I1371-I1394 HydrophobicContact CG2-CD1 4.13Å; I1371-W1397 HydrophobicContact CD1-CH2 4.18Å; I1371-W1397 HydrophobicContact CD1-CZ3 4.07Å; I1371-W1397 HydrophobicContact CG2-CZ3 4.47Å; I1371-L1398 HydrophobicContact CG2-CD1 4.23Å; I1371-L1398 HydrophobicContact CG2-CD2 4.09Å; I1371-L1398 HydrophobicContact CG2-CG 4.46Å |
| 1372 | H | 85.3 | Confident | 77.9 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 10% | 0.097 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -61 | -56.5 | 177.2 | 176.1 | -133.5 | 0 | 0 | 0 | 111.7 | L1368 C1369 A1370 L1376 H1377 L1443 D1446 | L1368-H1372 VanDerWaalsContact O-CB 3.23Å; L1368-H1372 WeakPolarHBondContact O-CB 3.41Å; L1368-H1372 PolarHBondContact O-N 3.08Å; C1369-H1372 PolarHBondContact O-N 2.95Å; A1370-H1372 VanDerWaalsContact C-N 3.3Å; A1370-H1372 PolarHBondContact O-N 3.21Å; H1372-L1376 WeakPolarHBondContact O-CA 3.15Å; H1372-L1376 VanDerWaalsContact O-CB 3.31Å; H1372-L1376 WeakPolarHBondContact O-CB 3.42Å; H1372-L1376 PolarHBondContact O-N 3.23Å; H1372-L1376 VanDerWaalsContact O-N 3.12Å; H1372-H1377 AromaticContact CD2-CD2 3.95Å; H1372-H1377 AromaticContact CD2-CE1 3.72Å; H1372-H1377 AromaticContact CD2-NE2 3.85Å; H1372-H1377 AromaticContact CE1-CD2 3.69Å; H1372-H1377 AromaticContact CE1-CE1 3.78Å; H1372-H1377 AromaticContact CE1-NE2 3.68Å; H1372-H1377 PolarHBondContact CE1-NE2 3.29Å; H1372-H1377 AromaticContact NE2-CD2 3.85Å; H1372-H1377 AromaticContact NE2-CE1 3.14Å; H1372-H1377 PolarHBondContact NE2-CE1 2.97Å; H1372-H1377 AromaticContact NE2-NE2 3.41Å; H1372-H1377 PolarHBondContact NE2-NE2 3.15Å; H1372-H1377 PolarHBondContact O-CD2 3.4Å; H1372-H1377 PolarHBondContact O-N 3.06Å; H1372-L1443 HydrophobicContact CB-CD1 3.83Å; H1372-D1446 IonicContact CD2-OD2 3.09Å; H1372-D1446 IonicContact CE1-OD2 3.2Å; H1372-D1446 PolarHBondContact CE1-OD2 3.19Å; H1372-D1446 IonicContact NE2-OD2 3Å; H1372-D1446 PolarHBondContact NE2-OD2 3.01Å |
| 1373 | E | 81.8 | Confident | 76.4 | Confident | 66.6 Ų | 66.6 | 24.4 Ų | 24.4 | 31% | 0.311 | 14% | 0.135 | S | C | . | . | I | π-helix | trans | -69.1 | -47.6 | -178 | -71.4 | -79.5 | 157.2 | 0 | 0 | 112.4 | K407 Y1303 C1369 A1370 H1377 L1378 | K407-E1373 IonicContact NZ-OE1 2.74Å; K407-E1373 IonicContact NZ-OE2 3.54Å; K407-E1373 PolarHBondContact NZ-OE2 3.24Å; Y1303-E1373 HydrophobicContact CD2-CB 4.26Å; Y1303-E1373 HydrophobicContact CE1-CB 3.84Å; Y1303-E1373 HydrophobicContact CE1-CG 4.5Å; Y1303-E1373 WeakPolarHBondContact CE1-OE2 3.16Å; Y1303-E1373 HydrophobicContact CE2-CB 4.07Å; Y1303-E1373 HydrophobicContact CE2-CG 4.32Å; Y1303-E1373 PolarHBondContact OH-OE2 2.87Å; C1369-E1373 WeakPolarHBondContact O-CB 3.3Å; C1369-E1373 WeakPolarHBondContact O-CG 3.32Å; C1369-E1373 PolarHBondContact O-N 3.11Å; A1370-E1373 PolarHBondContact O-N 3.14Å; E1373-H1377 CarbonylContact O-C 3.23Å; E1373-H1377 WeakPolarHBondContact O-CA 3.5Å; E1373-H1377 WeakPolarHBondContact O-CB 3.36Å; E1373-H1377 PolarHBondContact O-N 3.17Å; E1373-H1377 IonicContact OE2-CD2 2.71Å; E1373-H1377 IonicContact OE2-CE1 2.87Å; E1373-H1377 IonicContact OE2-CG 2.89Å; E1373-H1377 IonicContact OE2-ND1 3.82Å; E1373-H1377 PolarHBondContact OE2-ND1 2.97Å; E1373-L1378 HydrophobicContact CB-CD1 4.46Å; E1373-L1378 WeakPolarHBondContact O-CB 3.37Å; E1373-L1378 WeakPolarHBondContact O-CG 3.33Å; E1373-L1378 PolarHBondContact O-N 3.13Å |
| 1374 | V | 80.4 | Confident | 75 | Confident | 0.6 Ų | 0.6 | 30.8 Ų | 30.8 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -73.6 | -46.2 | -177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | L1302 Y1303 L1306 W1341 A1370 L1378 I1379 P1380 | L1302-V1374 HydrophobicContact CD2-CG1 4.38Å; L1302-V1374 HydrophobicContact CD2-CG2 3.94Å; L1302-V1374 HydrophobicContact CG-CG2 4.06Å; Y1303-V1374 HydrophobicContact CE1-CG2 4.29Å; L1306-V1374 HydrophobicContact CD1-CB 4.08Å; L1306-V1374 HydrophobicContact CD1-CG1 3.43Å; L1306-V1374 VanDerWaalsContact CD1-CG1 3.42Å; L1306-V1374 HydrophobicContact CD1-CG2 3.67Å; W1341-V1374 HydrophobicContact CH2-CB 4.09Å; W1341-V1374 HydrophobicContact CH2-CG1 3.76Å; W1341-V1374 HydrophobicContact CZ2-CB 4.23Å; W1341-V1374 HydrophobicContact CZ2-CG1 3.68Å; W1341-V1374 HydrophobicContact CZ3-CG1 4.39Å; A1370-V1374 WeakPolarHBondContact O-CA 3.34Å; A1370-V1374 WeakPolarHBondContact O-CB 3.44Å; A1370-V1374 VanDerWaalsContact O-CG2 3.25Å; A1370-V1374 WeakPolarHBondContact O-CG2 3.4Å; A1370-V1374 PolarHBondContact O-N 3.12Å; V1374-L1378 HydrophobicContact CG2-CD1 4.44Å; V1374-L1378 CarbonylContact O-C 3.34Å; V1374-L1378 PolarHBondContact O-N 2.85Å; V1374-I1379 HydrophobicContact CG1-CD1 3.42Å; V1374-I1379 VanDerWaalsContact CG1-CD1 3.42Å; V1374-I1379 HydrophobicContact CG1-CG1 3.89Å; V1374-I1379 VanDerWaalsContact O-CA 3.27Å; V1374-I1379 WeakPolarHBondContact O-CA 3.24Å; V1374-I1379 WeakPolarHBondContact O-CB 3.44Å; V1374-I1379 VanDerWaalsContact O-CG1 3.27Å; V1374-I1379 WeakPolarHBondContact O-CG1 3.4Å; V1374-I1379 PolarHBondContact O-N 3.18Å; V1374-I1379 VanDerWaalsContact O-N 3.08Å; V1374-P1380 HydrophobicContact CG1-CG 4.23Å; V1374-P1380 WeakPolarHBondContact O-CD 3.4Å |
| 1375 | G | 78.3 | Confident | 73.8 | Confident | 1.6 Ų | 1.6 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -81.4 | -35.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1371 I1379 | I1371-G1375 CarbonylContact O-C 3.28Å; I1371-G1375 VanDerWaalsContact O-CA 3.23Å; I1371-G1375 WeakPolarHBondContact O-CA 3.42Å; I1371-G1375 PolarHBondContact O-N 3.16Å; G1375-I1379 VanDerWaalsContact C-CG1 3.48Å; G1375-I1379 WeakPolarHBondContact O-CD1 3.45Å; G1375-I1379 WeakPolarHBondContact O-CG1 3.38Å |
| 1376 | L | 77.3 | Confident | 72.9 | Confident | 2.4 Ų | 2.4 | 33 Ų | 33 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -102.7 | -29.3 | -178.2 | -59.4 | 177.9 | 0 | 0 | 0 | 113 | I1371 H1372 K1391 I1394 L1443 D1446 L1447 T1450 | I1371-L1376 PolarHBondContact O-N 2.83Å; H1372-L1376 WeakPolarHBondContact O-CA 3.15Å; H1372-L1376 VanDerWaalsContact O-CB 3.31Å; H1372-L1376 WeakPolarHBondContact O-CB 3.42Å; H1372-L1376 PolarHBondContact O-N 3.23Å; H1372-L1376 VanDerWaalsContact O-N 3.12Å; L1376-K1391 VanDerWaalsContact O-CE 3.25Å; L1376-K1391 WeakPolarHBondContact O-CE 3.26Å; L1376-K1391 PolarHBondContact O-NZ 3.18Å; L1376-I1394 HydrophobicContact CD2-CG2 4.12Å; L1376-L1443 HydrophobicContact CD1-CD1 4.04Å; L1376-D1446 HydrophobicContact CD1-CB 4.1Å; L1376-L1447 HydrophobicContact CD1-CB 4.36Å; L1376-T1450 HydrophobicContact CD2-CG2 4.43Å |
| 1377 | H | 73.6 | Confident | 71.6 | Confident | 84 Ų | 84 | 34.8 Ų | 34.8 | 39% | 0.389 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -105 | -41.5 | -175.2 | -64.3 | -74.4 | 0 | 0 | 0 | 114.5 | H1372 E1373 D1446 | H1372-H1377 AromaticContact CD2-CD2 3.95Å; H1372-H1377 AromaticContact CD2-CE1 3.72Å; H1372-H1377 AromaticContact CD2-NE2 3.85Å; H1372-H1377 AromaticContact CE1-CD2 3.69Å; H1372-H1377 AromaticContact CE1-CE1 3.78Å; H1372-H1377 AromaticContact CE1-NE2 3.68Å; H1372-H1377 PolarHBondContact CE1-NE2 3.29Å; H1372-H1377 AromaticContact NE2-CD2 3.85Å; H1372-H1377 AromaticContact NE2-CE1 3.14Å; H1372-H1377 PolarHBondContact NE2-CE1 2.97Å; H1372-H1377 AromaticContact NE2-NE2 3.41Å; H1372-H1377 PolarHBondContact NE2-NE2 3.15Å; H1372-H1377 PolarHBondContact O-CD2 3.4Å; H1372-H1377 PolarHBondContact O-N 3.06Å; E1373-H1377 CarbonylContact O-C 3.23Å; E1373-H1377 WeakPolarHBondContact O-CA 3.5Å; E1373-H1377 WeakPolarHBondContact O-CB 3.36Å; E1373-H1377 PolarHBondContact O-N 3.17Å; E1373-H1377 IonicContact OE2-CD2 2.71Å; E1373-H1377 IonicContact OE2-CE1 2.87Å; E1373-H1377 IonicContact OE2-CG 2.89Å; E1373-H1377 IonicContact OE2-ND1 3.82Å; E1373-H1377 PolarHBondContact OE2-ND1 2.97Å; H1377-D1446 IonicContact CE1-OD2 3.37Å; H1377-D1446 PolarHBondContact CE1-OD2 3.14Å; H1377-D1446 VanDerWaalsContact CE1-OD2 3.24Å; H1377-D1446 IonicContact NE2-OD2 2.98Å; H1377-D1446 PolarHBondContact NE2-OD2 3.23Å |
| 1378 | L | 70.3 | Confident | 70.3 | Confident | 28.2 Ų | 28.2 | 36 Ų | 36 | 15% | 0.148 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -100.4 | -8.6 | -170.8 | -67.7 | 164.4 | 0 | 0 | 0 | 114.8 | Y1303 L1306 K1310 E1373 V1374 P1380 | Y1303-L1378 HydrophobicContact CD2-CD1 4.02Å; Y1303-L1378 HydrophobicContact CE2-CD1 3.94Å; L1306-L1378 HydrophobicContact CB-CB 4.4Å; L1306-L1378 HydrophobicContact CB-CD1 4.2Å; L1306-L1378 HydrophobicContact CD1-CB 4.41Å; L1306-L1378 HydrophobicContact CD1-CD1 4.25Å; K1310-L1378 HydrophobicContact CD-CD2 4.15Å; E1373-L1378 HydrophobicContact CB-CD1 4.46Å; E1373-L1378 WeakPolarHBondContact O-CB 3.37Å; E1373-L1378 WeakPolarHBondContact O-CG 3.33Å; E1373-L1378 PolarHBondContact O-N 3.13Å; V1374-L1378 HydrophobicContact CG2-CD1 4.44Å; V1374-L1378 CarbonylContact O-C 3.34Å; V1374-L1378 PolarHBondContact O-N 2.85Å; L1378-P1380 WeakPolarHBondContact O-CD 3.41Å |
| 1379 | I | 62.3 | Low | 69.3 | Low | 32 Ų | 32 | 36.2 Ų | 36.2 | 16% | 0.164 | 20% | 0.198 | C | C | . | . | trans | -27.2 | 113.4 | -164.9 | -61 | -175.7 | 0 | 0 | 0 | 112.7 | F1279 L1306 W1341 V1374 G1375 F1381 S1389 K1391 I1394 | F1279-I1379 HydrophobicContact CE2-CD1 4.07Å; F1279-I1379 HydrophobicContact CZ-CD1 3.99Å; L1306-I1379 HydrophobicContact CD2-CG1 4.18Å; W1341-I1379 HydrophobicContact CD2-CD1 4.19Å; W1341-I1379 HydrophobicContact CG-CD1 4.33Å; W1341-I1379 HydrophobicContact CZ2-CD1 4.02Å; V1374-I1379 HydrophobicContact CG1-CD1 3.42Å; V1374-I1379 VanDerWaalsContact CG1-CD1 3.42Å; V1374-I1379 HydrophobicContact CG1-CG1 3.89Å; V1374-I1379 VanDerWaalsContact O-CA 3.27Å; V1374-I1379 WeakPolarHBondContact O-CA 3.24Å; V1374-I1379 WeakPolarHBondContact O-CB 3.44Å; V1374-I1379 VanDerWaalsContact O-CG1 3.27Å; V1374-I1379 WeakPolarHBondContact O-CG1 3.4Å; V1374-I1379 PolarHBondContact O-N 3.18Å; V1374-I1379 VanDerWaalsContact O-N 3.08Å; G1375-I1379 VanDerWaalsContact C-CG1 3.48Å; G1375-I1379 WeakPolarHBondContact O-CD1 3.45Å; G1375-I1379 WeakPolarHBondContact O-CG1 3.38Å; I1379-F1381 PolarHBondContact O-N 3.17Å; I1379-S1389 WeakPolarHBondContact CG2-O 3.24Å; I1379-K1391 HydrophobicContact CD1-CB 3.99Å; I1379-K1391 HydrophobicContact CD1-CD 3.52Å; I1379-K1391 VanDerWaalsContact CD1-CD 3.46Å; I1379-K1391 VanDerWaalsContact CD1-CE 3.48Å; I1379-K1391 HydrophobicContact CD1-CG 3.6Å; I1379-K1391 VanDerWaalsContact CD1-CG 3.46Å; I1379-K1391 HydrophobicContact CG1-CD 4.06Å; I1379-K1391 VanDerWaalsContact CG1-CE 3.4Å; I1379-K1391 HydrophobicContact CG1-CG 4.03Å; I1379-I1394 HydrophobicContact CD1-CG2 4.36Å | ||
| 1380 | P | 53.3 | Low | 68.5 | Low | 10.2 Ų | 10.2 | 35.8 Ų | 35.8 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | trans | -68.1 | 126.2 | 169.8 | 22.3 | -21.1 | 0 | 0 | 0 | 108.9 | F1279 L1306 C1313 Y1314 W1341 V1374 L1378 S1382 S1389 | F1279-P1380 HydrophobicContact CD2-CB 4.32Å; F1279-P1380 HydrophobicContact CD2-CG 4.33Å; F1279-P1380 HydrophobicContact CE1-CB 3.95Å; F1279-P1380 HydrophobicContact CE1-CG 4.14Å; F1279-P1380 HydrophobicContact CE2-CB 3.62Å; F1279-P1380 VanDerWaalsContact CE2-CB 3.48Å; F1279-P1380 HydrophobicContact CE2-CG 3.81Å; F1279-P1380 HydrophobicContact CZ-CB 3.41Å; F1279-P1380 VanDerWaalsContact CZ-CB 3.41Å; F1279-P1380 HydrophobicContact CZ-CG 3.49Å; F1279-P1380 VanDerWaalsContact CZ-CG 3.47Å; L1306-P1380 HydrophobicContact CD2-CB 4.13Å; L1306-P1380 HydrophobicContact CD2-CG 4.16Å; C1313-P1380 HydrophobicContact CB-CG 4.36Å; Y1314-P1380 HydrophobicContact CD1-CB 4.24Å; Y1314-P1380 HydrophobicContact CD1-CG 3.99Å; Y1314-P1380 HydrophobicContact CE1-CB 4.07Å; Y1314-P1380 HydrophobicContact CE1-CG 3.82Å; W1341-P1380 VanDerWaalsContact CD1-CG 3.49Å; W1341-P1380 HydrophobicContact CD2-CG 4.45Å; W1341-P1380 HydrophobicContact CG-CG 4.31Å; W1341-P1380 VanDerWaalsContact NE1-CG 3.3Å; V1374-P1380 HydrophobicContact CG1-CG 4.23Å; V1374-P1380 WeakPolarHBondContact O-CD 3.4Å; L1378-P1380 WeakPolarHBondContact O-CD 3.41Å; P1380-S1382 PolarHBondContact O-N 3.33Å; P1380-S1389 PolarHBondContact O-OG 3.4Å | ||
| 1381 | F | 49.4 | Very low | 68 | Low | 71 Ų | 71 | 38.3 Ų | 38.3 | 31% | 0.311 | 20% | 0.204 | S | C | . | . | trans | -30.4 | 141.4 | 172.4 | -58.6 | -82.7 | 0 | 0 | 0 | 113.3 | S450 P1275 C1313 Y1314 Q1317 I1379 T1383 S1389 | S450-F1381 WeakPolarHBondContact OG-CE1 3.26Å; P1275-F1381 HydrophobicContact CB-CE2 4.26Å; P1275-F1381 HydrophobicContact CB-CZ 3.91Å; C1313-F1381 HydrophobicContact CB-CE1 4.34Å; C1313-F1381 HydrophobicContact CB-CZ 4.24Å; C1313-F1381 WeakPolarHBondContact SG-CZ 3.46Å; Y1314-F1381 AromaticContact CD1-CE2 3.99Å; Y1314-F1381 HydrophobicContact CD1-CE2 3.99Å; Y1314-F1381 HydrophobicContact CD1-CZ 4.19Å; Y1314-F1381 HydrophobicContact CE1-CE2 4.18Å; Y1314-F1381 HydrophobicContact CE1-CZ 4.26Å; Q1317-F1381 PolarHBondContact NE2-O 3.34Å; I1379-F1381 PolarHBondContact O-N 3.17Å; F1381-T1383 VanDerWaalsContact C-N 3.31Å; F1381-T1383 HydrophobicContact CB-CG2 3.6Å; F1381-T1383 HydrophobicContact CD1-CG2 4.2Å; F1381-T1383 HydrophobicContact CD2-CG2 4.21Å; F1381-T1383 HydrophobicContact CG-CG2 3.68Å; F1381-T1383 WeakPolarHBondContact O-CG2 3.28Å; F1381-T1383 PolarHBondContact O-N 2.92Å; F1381-S1389 PolarHBondContact O-OG 3.04Å | ||
| 1382 | S | 50.2 | Low | 67.2 | Low | 67.4 Ų | 67.4 | 41.7 Ų | 41.7 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | trans | -37.9 | 85.3 | 166.6 | 62 | 0 | 0 | 0 | 0 | 111.2 | P1380 F1386 S1389 | P1380-S1382 PolarHBondContact O-N 3.33Å; S1382-F1386 VanDerWaalsContact CA-O 3.29Å; S1382-F1386 WeakPolarHBondContact CA-O 3.49Å; S1382-S1389 VanDerWaalsContact CA-OG 3.3Å; S1382-S1389 WeakPolarHBondContact CA-OG 3.48Å | ||
| 1383 | T | 54.8 | Low | 66.8 | Low | 21.4 Ų | 21.4 | 44 Ų | 44 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | trans | -67.3 | 151.1 | 166.5 | 58.5 | 0 | 0 | 0 | 0 | 107.7 | V1276 F1381 Y1385 F1386 | V1276-T1383 HydrophobicContact CG1-CG2 4.09Å; V1276-T1383 HydrophobicContact CG2-CG2 4.1Å; F1381-T1383 VanDerWaalsContact C-N 3.31Å; F1381-T1383 HydrophobicContact CB-CG2 3.6Å; F1381-T1383 HydrophobicContact CD1-CG2 4.2Å; F1381-T1383 HydrophobicContact CD2-CG2 4.21Å; F1381-T1383 HydrophobicContact CG-CG2 3.68Å; F1381-T1383 WeakPolarHBondContact O-CG2 3.28Å; F1381-T1383 PolarHBondContact O-N 2.92Å; T1383-Y1385 PolarHBondContact O-N 3.12Å; T1383-F1386 CarbonylContact O-C 3.44Å; T1383-F1386 PolarHBondContact O-N 3.07Å; T1383-F1386 WeakPolarHBondContact OG1-CD2 3.36Å; T1383-F1386 PolarHBondContact OG1-N 3.03Å | ||
| 1384 | N | 58.2 | Low | 66.7 | Low | 145.8 Ų | 145.8 | 40.9 Ų | 40.9 | 78% | 0.78 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -18.7 | 177.3 | -68.8 | -4.1 | 0 | 0 | 0 | 114 | ||
| 1385 | Y | 63 | Low | 66.8 | Low | 52.2 Ų | 52.2 | 41 Ų | 41 | 21% | 0.205 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -22.4 | 176.7 | -63.4 | -69.5 | 0 | 0 | 0 | 115.1 | S1223 I1232 P1233 V1276 V1280 T1383 | S1223-Y1385 PolarHBondContact OG-OH 3.42Å; I1232-Y1385 HydrophobicContact CG1-CE1 4.45Å; I1232-Y1385 HydrophobicContact CG2-CD1 4.49Å; I1232-Y1385 HydrophobicContact CG2-CE1 4.14Å; P1233-Y1385 HydrophobicContact CG-CD1 4.21Å; P1233-Y1385 HydrophobicContact CG-CG 4.36Å; V1276-Y1385 HydrophobicContact CG1-CD2 3.9Å; V1276-Y1385 HydrophobicContact CG1-CE2 3.75Å; V1276-Y1385 VanDerWaalsContact CG1-CE2 3.44Å; V1280-Y1385 HydrophobicContact CG2-CD2 4.16Å; V1280-Y1385 HydrophobicContact CG2-CE2 4.45Å; T1383-Y1385 PolarHBondContact O-N 3.12Å |
| 1386 | F | 68.2 | Low | 66.8 | Low | 1.8 Ų | 1.8 | 43.2 Ų | 43.2 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -133.2 | 86 | -173.9 | -57.6 | -62.4 | 0 | 0 | 0 | 109.9 | P1233 F1279 V1280 L1283 D1339 W1341 Y1344 S1382 T1383 N1388 S1389 | P1233-F1386 HydrophobicContact CB-CE1 4.22Å; P1233-F1386 HydrophobicContact CB-CZ 4.43Å; P1233-F1386 HydrophobicContact CG-CE1 3.92Å; P1233-F1386 HydrophobicContact CG-CE2 4.41Å; P1233-F1386 HydrophobicContact CG-CZ 3.75Å; F1279-F1386 HydrophobicContact CD1-CD2 4.45Å; F1279-F1386 HydrophobicContact CD1-CE2 4.38Å; F1279-F1386 AromaticContact CE1-CD2 3.94Å; F1279-F1386 HydrophobicContact CE1-CD2 3.94Å; F1279-F1386 AromaticContact CE1-CE2 3.85Å; F1279-F1386 HydrophobicContact CE1-CE2 3.85Å; V1280-F1386 HydrophobicContact CG2-CE2 4.38Å; L1283-F1386 HydrophobicContact CD1-CE2 3.71Å; L1283-F1386 HydrophobicContact CD1-CZ 3.79Å; D1339-F1386 CarbonylContact O-C 3.59Å; D1339-F1386 VanDerWaalsContact O-CA 3.29Å; D1339-F1386 WeakPolarHBondContact O-CA 3.27Å; D1339-F1386 WeakPolarHBondContact O-CB 3.16Å; D1339-F1386 WeakPolarHBondContact O-CD1 3.41Å; W1341-F1386 HydrophobicContact CB-CD1 4.32Å; W1341-F1386 HydrophobicContact CB-CD2 4.04Å; W1341-F1386 HydrophobicContact CB-CE1 4.42Å; W1341-F1386 HydrophobicContact CB-CE2 4.14Å; W1341-F1386 HydrophobicContact CB-CG 4.14Å; W1341-F1386 HydrophobicContact CB-CZ 4.33Å; Y1344-F1386 HydrophobicContact CD1-CE1 4.34Å; Y1344-F1386 AromaticContact CD1-CZ 3.91Å; Y1344-F1386 HydrophobicContact CD1-CZ 3.91Å; Y1344-F1386 AromaticContact CG-CE1 3.95Å; Y1344-F1386 HydrophobicContact CG-CE1 3.98Å; Y1344-F1386 AromaticContact CG-CZ 3.98Å; Y1344-F1386 HydrophobicContact CG-CZ 4.01Å; S1382-F1386 VanDerWaalsContact CA-O 3.29Å; S1382-F1386 WeakPolarHBondContact CA-O 3.49Å; T1383-F1386 CarbonylContact O-C 3.44Å; T1383-F1386 PolarHBondContact O-N 3.07Å; T1383-F1386 WeakPolarHBondContact OG1-CD2 3.36Å; T1383-F1386 PolarHBondContact OG1-N 3.03Å; F1386-N1388 VanDerWaalsContact C-N 3.3Å; F1386-N1388 PolarHBondContact O-N 3.31Å; F1386-S1389 PolarHBondContact O-OG 3.18Å | ||
| 1387 | S | 60.9 | Low | 67.1 | Low | 67 Ų | 67 | 44.7 Ų | 44.7 | 47% | 0.469 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -34.8 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | D1339 S1389 | D1339-S1387 VanDerWaalsContact CB-OG 3.23Å; D1339-S1387 WeakPolarHBondContact CB-OG 3.34Å; D1339-S1387 PolarHBondContact OD2-OG 3.19Å; D1339-S1387 VanDerWaalsContact OD2-OG 3.13Å; S1387-S1389 PolarHBondContact O-N 3.32Å |
| 1388 | N | 63 | Low | 67.7 | Low | 26.6 Ų | 26.6 | 40.7 Ų | 40.7 | 14% | 0.142 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 42.5 | -173.7 | -65 | -24 | 0 | 0 | 0 | 112.6 | K1336 D1339 C1340 W1342 F1386 S1390 Y1393 | K1336-N1388 PolarHBondContact O-ND2 3.13Å; K1336-N1388 VanDerWaalsContact O-ND2 3.12Å; D1339-N1388 HydrophobicContact CB-CB 4.44Å; C1340-N1388 PolarHBondContact SG-O 3.05Å; C1340-N1388 VanDerWaalsContact SG-O 3.35Å; W1342-N1388 WeakPolarHBondContact CH2-O 3.33Å; F1386-N1388 VanDerWaalsContact C-N 3.3Å; F1386-N1388 PolarHBondContact O-N 3.31Å; N1388-S1390 VanDerWaalsContact C-N 3.26Å; N1388-S1390 PolarHBondContact O-N 3.42Å; N1388-Y1393 HydrophobicContact CB-CD2 4.07Å; N1388-Y1393 HydrophobicContact CB-CE2 4.06Å; N1388-Y1393 HydrophobicContact CB-CG 4.35Å; N1388-Y1393 WeakPolarHBondContact O-CD2 3.48Å |
| 1389 | S | 67.6 | Low | 68.3 | Low | 5.8 Ų | 5.8 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | trans | -96.9 | 21.5 | 179.6 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | I1379 P1380 F1381 S1382 F1386 S1387 | I1379-S1389 WeakPolarHBondContact CG2-O 3.24Å; P1380-S1389 PolarHBondContact O-OG 3.4Å; F1381-S1389 PolarHBondContact O-OG 3.04Å; S1382-S1389 VanDerWaalsContact CA-OG 3.3Å; S1382-S1389 WeakPolarHBondContact CA-OG 3.48Å; F1386-S1389 PolarHBondContact O-OG 3.18Å; S1387-S1389 PolarHBondContact O-N 3.32Å | ||
| 1390 | S | 69.9 | Low | 69.3 | Low | 33.6 Ų | 33.6 | 44.8 Ų | 44.8 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | trans | -70.5 | 156.7 | 179.6 | 81.8 | 0 | 0 | 0 | 0 | 112.1 | N1388 E1392 Y1393 I1394 | N1388-S1390 VanDerWaalsContact C-N 3.26Å; N1388-S1390 PolarHBondContact O-N 3.42Å; S1390-E1392 WeakPolarHBondContact CB-OE2 3.17Å; S1390-E1392 PolarHBondContact O-N 3.21Å; S1390-E1392 VanDerWaalsContact O-N 3.16Å; S1390-E1392 PolarHBondContact OG-N 3.26Å; S1390-E1392 PolarHBondContact OG-OE2 3.25Å; S1390-Y1393 PolarHBondContact O-N 3.22Å; S1390-Y1393 WeakPolarHBondContact OG-CD2 3.43Å; S1390-Y1393 PolarHBondContact OG-N 2.91Å; S1390-I1394 PolarHBondContact O-N 3.2Å | ||
| 1391 | K | 74.1 | Confident | 70.8 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.5 | -25.9 | 175.2 | -77.1 | -167.9 | 178.2 | -171 | 0 | 112.5 | L1376 I1379 I1394 C1395 T1450 F1454 | L1376-K1391 VanDerWaalsContact O-CE 3.25Å; L1376-K1391 WeakPolarHBondContact O-CE 3.26Å; L1376-K1391 PolarHBondContact O-NZ 3.18Å; I1379-K1391 HydrophobicContact CD1-CB 3.99Å; I1379-K1391 HydrophobicContact CD1-CD 3.52Å; I1379-K1391 VanDerWaalsContact CD1-CD 3.46Å; I1379-K1391 VanDerWaalsContact CD1-CE 3.48Å; I1379-K1391 HydrophobicContact CD1-CG 3.6Å; I1379-K1391 VanDerWaalsContact CD1-CG 3.46Å; I1379-K1391 HydrophobicContact CG1-CD 4.06Å; I1379-K1391 VanDerWaalsContact CG1-CE 3.4Å; I1379-K1391 HydrophobicContact CG1-CG 4.03Å; K1391-I1394 VanDerWaalsContact O-CG2 3.29Å; K1391-I1394 WeakPolarHBondContact O-CG2 3.4Å; K1391-I1394 PolarHBondContact O-N 3.38Å; K1391-C1395 WeakPolarHBondContact O-CB 3.34Å; K1391-C1395 PolarHBondContact O-N 3.31Å; K1391-C1395 VanDerWaalsContact O-N 3.15Å; K1391-C1395 PolarHBondContact O-SG 3.12Å; K1391-T1450 HydrophobicContact CB-CG2 4.38Å; K1391-T1450 HydrophobicContact CD-CG2 4.19Å; K1391-F1454 HydrophobicContact CB-CE1 4.21Å; K1391-F1454 HydrophobicContact CB-CE2 4.21Å; K1391-F1454 HydrophobicContact CB-CZ 3.57Å; K1391-F1454 HydrophobicContact CG-CZ 4.03Å |
| 1392 | E | 69.5 | Low | 72.4 | Confident | 70.6 Ų | 70.6 | 42 Ų | 42 | 33% | 0.33 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.6 | -53.6 | 178.7 | -59.8 | 146.7 | 175.5 | 0 | 0 | 110 | S1390 I1394 C1395 D1396 F1454 Y1470 | S1390-E1392 WeakPolarHBondContact CB-OE2 3.17Å; S1390-E1392 PolarHBondContact O-N 3.21Å; S1390-E1392 VanDerWaalsContact O-N 3.16Å; S1390-E1392 PolarHBondContact OG-N 3.26Å; S1390-E1392 PolarHBondContact OG-OE2 3.25Å; E1392-I1394 VanDerWaalsContact C-N 3.27Å; E1392-I1394 PolarHBondContact O-N 3.14Å; E1392-C1395 WeakPolarHBondContact O-CA 3.27Å; E1392-C1395 WeakPolarHBondContact O-CB 3.27Å; E1392-C1395 PolarHBondContact O-N 3.18Å; E1392-C1395 VanDerWaalsContact O-N 3.07Å; E1392-D1396 VanDerWaalsContact O-CG 3.29Å; E1392-D1396 PolarHBondContact O-N 3.08Å; E1392-D1396 VanDerWaalsContact O-OD1 3.11Å; E1392-F1454 HydrophobicContact CB-CZ 4.35Å; E1392-F1454 HydrophobicContact CG-CD1 4.11Å; E1392-F1454 HydrophobicContact CG-CD2 4.35Å; E1392-F1454 HydrophobicContact CG-CE1 3.64Å; E1392-F1454 VanDerWaalsContact CG-CE1 3.42Å; E1392-F1454 HydrophobicContact CG-CE2 3.94Å; E1392-F1454 HydrophobicContact CG-CG 4.45Å; E1392-F1454 HydrophobicContact CG-CZ 3.57Å; E1392-F1454 WeakPolarHBondContact OE1-CE1 3.2Å; E1392-Y1470 HydrophobicContact CB-CE1 4.47Å |
| 1393 | Y | 75.8 | Confident | 73.8 | Confident | 71.2 Ų | 71.2 | 39 Ų | 39 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -34.3 | -179.6 | -68.7 | -67.5 | 0 | 0 | 0 | 113.5 | N1388 S1390 W1397 Y1470 | N1388-Y1393 HydrophobicContact CB-CD2 4.07Å; N1388-Y1393 HydrophobicContact CB-CE2 4.06Å; N1388-Y1393 HydrophobicContact CB-CG 4.35Å; N1388-Y1393 WeakPolarHBondContact O-CD2 3.48Å; S1390-Y1393 PolarHBondContact O-N 3.22Å; S1390-Y1393 WeakPolarHBondContact OG-CD2 3.43Å; S1390-Y1393 PolarHBondContact OG-N 2.91Å; Y1393-W1397 VanDerWaalsContact O-CB 3.29Å; Y1393-W1397 WeakPolarHBondContact O-CB 3.37Å; Y1393-W1397 PolarHBondContact O-N 2.97Å; Y1393-Y1470 HydrophobicContact CE1-CE1 4.15Å; Y1393-Y1470 AromaticContact CE1-CZ 3.79Å; Y1393-Y1470 WeakPolarHBondContact CE1-OH 3.3Å; Y1393-Y1470 AromaticContact CZ-CZ 3.91Å; Y1393-Y1470 VanDerWaalsContact CZ-OH 3.23Å; Y1393-Y1470 PolarHBondContact OH-OH 3.36Å |
| 1394 | I | 81.3 | Confident | 75.1 | Confident | 1.4 Ų | 1.4 | 41.3 Ų | 41.3 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.5 | -38 | 176.1 | -142.3 | 172.5 | 0 | 0 | 0 | 111.3 | W1341 W1342 I1371 L1376 I1379 S1390 K1391 E1392 D1396 W1397 L1398 | W1341-I1394 HydrophobicContact CZ2-CD1 4.23Å; W1342-I1394 HydrophobicContact CD2-CD1 4.29Å; W1342-I1394 HydrophobicContact CD2-CG1 4.18Å; W1342-I1394 HydrophobicContact CE3-CB 4.33Å; W1342-I1394 HydrophobicContact CE3-CD1 3.77Å; W1342-I1394 HydrophobicContact CE3-CG1 3.89Å; W1342-I1394 HydrophobicContact CH2-CB 3.74Å; W1342-I1394 HydrophobicContact CH2-CD1 4.1Å; W1342-I1394 HydrophobicContact CH2-CG1 3.91Å; W1342-I1394 HydrophobicContact CZ2-CB 4Å; W1342-I1394 HydrophobicContact CZ2-CG1 4.06Å; W1342-I1394 HydrophobicContact CZ3-CB 3.92Å; W1342-I1394 HydrophobicContact CZ3-CD1 3.8Å; W1342-I1394 VanDerWaalsContact CZ3-CD1 3.5Å; W1342-I1394 HydrophobicContact CZ3-CG1 3.76Å; I1371-I1394 HydrophobicContact CG2-CD1 4.13Å; L1376-I1394 HydrophobicContact CD2-CG2 4.12Å; I1379-I1394 HydrophobicContact CD1-CG2 4.36Å; S1390-I1394 PolarHBondContact O-N 3.2Å; K1391-I1394 VanDerWaalsContact O-CG2 3.29Å; K1391-I1394 WeakPolarHBondContact O-CG2 3.4Å; K1391-I1394 PolarHBondContact O-N 3.38Å; E1392-I1394 VanDerWaalsContact C-N 3.27Å; E1392-I1394 PolarHBondContact O-N 3.14Å; I1394-D1396 VanDerWaalsContact C-N 3.34Å; I1394-D1396 PolarHBondContact O-N 3.07Å; I1394-W1397 HydrophobicContact CG1-CE3 4.34Å; I1394-W1397 PolarHBondContact O-N 3.27Å; I1394-L1398 HydrophobicContact CG1-CD1 4.46Å; I1394-L1398 HydrophobicContact CG2-CD1 3.84Å; I1394-L1398 HydrophobicContact CG2-CG 4.28Å; I1394-L1398 VanDerWaalsContact O-CB 3.32Å; I1394-L1398 WeakPolarHBondContact O-CB 3.37Å; I1394-L1398 VanDerWaalsContact O-CG 3.25Å; I1394-L1398 WeakPolarHBondContact O-CG 3.29Å; I1394-L1398 PolarHBondContact O-N 3.2Å |
| 1395 | C | 81.9 | Confident | 75.9 | Confident | 1.8 Ų | 1.8 | 38.1 Ų | 38.1 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 174 | -71.5 | 0 | 0 | 0 | 0 | 110.3 | K1391 E1392 W1397 L1398 M1399 L1447 I1451 | K1391-C1395 WeakPolarHBondContact O-CB 3.34Å; K1391-C1395 PolarHBondContact O-N 3.31Å; K1391-C1395 VanDerWaalsContact O-N 3.15Å; K1391-C1395 PolarHBondContact O-SG 3.12Å; E1392-C1395 WeakPolarHBondContact O-CA 3.27Å; E1392-C1395 WeakPolarHBondContact O-CB 3.27Å; E1392-C1395 PolarHBondContact O-N 3.18Å; E1392-C1395 VanDerWaalsContact O-N 3.07Å; C1395-W1397 VanDerWaalsContact C-N 3.33Å; C1395-W1397 PolarHBondContact O-N 3.28Å; C1395-L1398 PolarHBondContact O-N 3.34Å; C1395-M1399 WeakPolarHBondContact O-CB 3.38Å; C1395-M1399 VanDerWaalsContact O-CG 3.24Å; C1395-M1399 WeakPolarHBondContact O-CG 3.28Å; C1395-M1399 PolarHBondContact O-N 2.93Å; C1395-L1447 HydrophobicContact CB-CD1 4.04Å; C1395-I1451 HydrophobicContact CB-CG1 4.29Å |
| 1396 | D | 77.6 | Confident | 76.6 | Confident | 46.8 Ų | 46.8 | 43.6 Ų | 43.6 | 25% | 0.25 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 177.5 | -66.2 | -1.2 | 0 | 0 | 0 | 111.7 | E1392 I1394 L1398 M1399 F1400 I1478 | E1392-D1396 VanDerWaalsContact O-CG 3.29Å; E1392-D1396 PolarHBondContact O-N 3.08Å; E1392-D1396 VanDerWaalsContact O-OD1 3.11Å; I1394-D1396 VanDerWaalsContact C-N 3.34Å; I1394-D1396 PolarHBondContact O-N 3.07Å; D1396-L1398 PolarHBondContact O-N 3.1Å; D1396-M1399 PolarHBondContact O-N 3.13Å; D1396-F1400 WeakPolarHBondContact O-CB 3.32Å; D1396-F1400 PolarHBondContact O-N 3.35Å; D1396-I1478 WeakPolarHBondContact OD1-CB 3.36Å; D1396-I1478 VanDerWaalsContact OD1-CD1 3.26Å; D1396-I1478 WeakPolarHBondContact OD1-CD1 3.37Å; D1396-I1478 WeakPolarHBondContact OD1-CG1 3.4Å; D1396-I1478 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1397 | W | 83.5 | Confident | 77.3 | Confident | 35.2 Ų | 35.2 | 43.6 Ų | 43.6 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.3 | 179.1 | 67.6 | 0 | 0 | 0 | 112.1 | W1342 L1347 D1348 I1371 Y1393 I1394 C1395 F1400 L1401 | W1342-W1397 HydrophobicContact CB-CH2 4.38Å; W1342-W1397 HydrophobicContact CB-CZ3 4.33Å; W1342-W1397 AromaticContact CD1-CD2 3.49Å; W1342-W1397 VanDerWaalsContact CD1-CD2 3.46Å; W1342-W1397 AromaticContact CD1-CE2 3.61Å; W1342-W1397 AromaticContact CD1-CE3 3.58Å; W1342-W1397 AromaticContact CD1-CH2 3.87Å; W1342-W1397 AromaticContact CD1-CZ2 3.81Å; W1342-W1397 AromaticContact CD1-CZ3 3.78Å; W1342-W1397 HydrophobicContact CD2-CE3 4.49Å; W1342-W1397 HydrophobicContact CG-CD2 4.44Å; W1342-W1397 HydrophobicContact CG-CE3 4.17Å; W1342-W1397 HydrophobicContact CG-CH2 4.4Å; W1342-W1397 HydrophobicContact CG-CZ3 4.13Å; W1342-W1397 AromaticContact NE1-CD2 3.44Å; W1342-W1397 AromaticContact NE1-CE2 3.92Å; W1342-W1397 AromaticContact NE1-CE3 3.72Å; W1342-W1397 AromaticContact NE1-CG 3.56Å; L1347-W1397 HydrophobicContact CB-CH2 4.19Å; D1348-W1397 HydrophobicContact CB-CZ2 4.31Å; I1371-W1397 HydrophobicContact CD1-CH2 4.18Å; I1371-W1397 HydrophobicContact CD1-CZ3 4.07Å; I1371-W1397 HydrophobicContact CG2-CZ3 4.47Å; Y1393-W1397 VanDerWaalsContact O-CB 3.29Å; Y1393-W1397 WeakPolarHBondContact O-CB 3.37Å; Y1393-W1397 PolarHBondContact O-N 2.97Å; I1394-W1397 HydrophobicContact CG1-CE3 4.34Å; I1394-W1397 PolarHBondContact O-N 3.27Å; C1395-W1397 VanDerWaalsContact C-N 3.33Å; C1395-W1397 PolarHBondContact O-N 3.28Å; W1397-F1400 WeakPolarHBondContact O-CB 3.47Å; W1397-F1400 PolarHBondContact O-N 3.15Å; W1397-L1401 HydrophobicContact CD2-CD1 3.88Å; W1397-L1401 HydrophobicContact CD2-CG 4.47Å; W1397-L1401 HydrophobicContact CE3-CD1 4.08Å; W1397-L1401 HydrophobicContact CH2-CD1 3.72Å; W1397-L1401 HydrophobicContact CZ2-CD1 3.49Å; W1397-L1401 VanDerWaalsContact CZ2-CD1 3.48Å; W1397-L1401 HydrophobicContact CZ2-CG 4.43Å; W1397-L1401 HydrophobicContact CZ3-CD1 4.01Å; W1397-L1401 WeakPolarHBondContact O-CG 3.39Å; W1397-L1401 PolarHBondContact O-N 3.14Å |
| 1398 | L | 86.2 | Confident | 78.3 | Confident | 0.4 Ų | 0.4 | 40.5 Ų | 40.5 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 175.7 | -76.1 | 173 | 0 | 0 | 0 | 112 | I1371 I1394 C1395 D1396 F1400 L1401 I1402 L1443 L1447 | I1371-L1398 HydrophobicContact CG2-CD1 4.23Å; I1371-L1398 HydrophobicContact CG2-CD2 4.09Å; I1371-L1398 HydrophobicContact CG2-CG 4.46Å; I1394-L1398 HydrophobicContact CG1-CD1 4.46Å; I1394-L1398 HydrophobicContact CG2-CD1 3.84Å; I1394-L1398 HydrophobicContact CG2-CG 4.28Å; I1394-L1398 VanDerWaalsContact O-CB 3.32Å; I1394-L1398 WeakPolarHBondContact O-CB 3.37Å; I1394-L1398 VanDerWaalsContact O-CG 3.25Å; I1394-L1398 WeakPolarHBondContact O-CG 3.29Å; I1394-L1398 PolarHBondContact O-N 3.2Å; C1395-L1398 PolarHBondContact O-N 3.34Å; D1396-L1398 PolarHBondContact O-N 3.1Å; L1398-F1400 VanDerWaalsContact C-N 3.34Å; L1398-F1400 PolarHBondContact O-N 3.16Å; L1398-L1401 PolarHBondContact O-N 3.16Å; L1398-I1402 WeakPolarHBondContact O-CD1 3.28Å; L1398-I1402 VanDerWaalsContact O-CG1 3.26Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.42Å; L1398-I1402 PolarHBondContact O-N 3.15Å; L1398-L1443 HydrophobicContact CD1-CD1 4.07Å; L1398-L1443 HydrophobicContact CD2-CD2 4.22Å; L1398-L1447 HydrophobicContact CB-CD1 3.67Å; L1398-L1447 VanDerWaalsContact CB-CD1 3.46Å; L1398-L1447 HydrophobicContact CB-CD2 4.28Å; L1398-L1447 HydrophobicContact CD1-CD1 3.83Å; L1398-L1447 HydrophobicContact CG-CD1 4.27Å |
| 1399 | M | 84.2 | Confident | 79.4 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.8 | -72.2 | -65.2 | -72.5 | 0 | 0 | 110.7 | C1395 D1396 L1401 I1402 G1403 L1447 F1448 I1451 I1478 V1483 Y1484 | C1395-M1399 WeakPolarHBondContact O-CB 3.38Å; C1395-M1399 VanDerWaalsContact O-CG 3.24Å; C1395-M1399 WeakPolarHBondContact O-CG 3.28Å; C1395-M1399 PolarHBondContact O-N 2.93Å; D1396-M1399 PolarHBondContact O-N 3.13Å; M1399-L1401 PolarHBondContact O-N 3.26Å; M1399-I1402 PolarHBondContact O-N 3.33Å; M1399-G1403 PolarHBondContact O-N 3.09Å; M1399-L1447 HydrophobicContact CG-CD2 4.45Å; M1399-L1447 HydrophobicContact SD-CD2 3.79Å; M1399-F1448 HydrophobicContact SD-CE1 4.44Å; M1399-I1451 HydrophobicContact CG-CD1 4.29Å; M1399-I1451 HydrophobicContact SD-CD1 4.15Å; M1399-I1478 HydrophobicContact CG-CG2 4.42Å; M1399-I1478 WeakPolarHBondContact CG-O 3.21Å; M1399-V1483 HydrophobicContact CB-CG2 4.46Å; M1399-V1483 HydrophobicContact CE-CB 3.7Å; M1399-V1483 HydrophobicContact CE-CG1 3.71Å; M1399-V1483 HydrophobicContact CE-CG2 3.95Å; M1399-V1483 VanDerWaalsContact O-CG2 3.29Å; M1399-V1483 WeakPolarHBondContact O-CG2 3.47Å; M1399-V1483 HydrophobicContact SD-CB 4.31Å; M1399-V1483 HydrophobicContact SD-CG1 3.74Å; M1399-V1483 HydrophobicContact SD-CG2 4.25Å; M1399-Y1484 HydrophobicContact CE-CD2 4.3Å; M1399-Y1484 HydrophobicContact CE-CE2 3.86Å |
| 1400 | F | 83.3 | Confident | 80 | Confident | 142 Ų | 142 | 39.1 Ų | 39.1 | 62% | 0.623 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -59 | -44.3 | 175.1 | 177.9 | -97.2 | 0 | 0 | 0 | 112.5 | D1396 W1397 L1398 I1402 G1403 D1404 | D1396-F1400 WeakPolarHBondContact O-CB 3.32Å; D1396-F1400 PolarHBondContact O-N 3.35Å; W1397-F1400 WeakPolarHBondContact O-CB 3.47Å; W1397-F1400 PolarHBondContact O-N 3.15Å; L1398-F1400 VanDerWaalsContact C-N 3.34Å; L1398-F1400 PolarHBondContact O-N 3.16Å; F1400-I1402 PolarHBondContact O-N 3.06Å; F1400-G1403 PolarHBondContact O-N 3.28Å; F1400-D1404 PolarHBondContact O-N 3.31Å |
| 1401 | L | 83.4 | Confident | 80.5 | Confident | 21.6 Ų | 21.6 | 40.8 Ų | 40.8 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.5 | -73.1 | 177.9 | 0 | 0 | 0 | 113.5 | M1351 W1397 L1398 M1399 G1403 L1409 | M1351-L1401 HydrophobicContact CB-CD1 4.12Å; M1351-L1401 HydrophobicContact CB-CD2 3.99Å; M1351-L1401 HydrophobicContact CG-CD1 3.98Å; W1397-L1401 HydrophobicContact CD2-CD1 3.88Å; W1397-L1401 HydrophobicContact CD2-CG 4.47Å; W1397-L1401 HydrophobicContact CE3-CD1 4.08Å; W1397-L1401 HydrophobicContact CH2-CD1 3.72Å; W1397-L1401 HydrophobicContact CZ2-CD1 3.49Å; W1397-L1401 VanDerWaalsContact CZ2-CD1 3.48Å; W1397-L1401 HydrophobicContact CZ2-CG 4.43Å; W1397-L1401 HydrophobicContact CZ3-CD1 4.01Å; W1397-L1401 WeakPolarHBondContact O-CG 3.39Å; W1397-L1401 PolarHBondContact O-N 3.14Å; L1398-L1401 PolarHBondContact O-N 3.16Å; M1399-L1401 PolarHBondContact O-N 3.26Å; L1401-G1403 VanDerWaalsContact C-N 3.34Å; L1401-L1409 HydrophobicContact CB-CD1 4.22Å |
| 1402 | I | 83.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.7 | -31.8 | 177.7 | -62.6 | 159.6 | 0 | 0 | 0 | 110.5 | L1398 M1399 F1400 D1404 L1409 S1410 L1413 L1444 L1447 V1483 F1486 | L1398-I1402 WeakPolarHBondContact O-CD1 3.28Å; L1398-I1402 VanDerWaalsContact O-CG1 3.26Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.42Å; L1398-I1402 PolarHBondContact O-N 3.15Å; M1399-I1402 PolarHBondContact O-N 3.33Å; F1400-I1402 PolarHBondContact O-N 3.06Å; I1402-D1404 VanDerWaalsContact C-N 3.32Å; I1402-D1404 PolarHBondContact O-N 3.08Å; I1402-L1409 HydrophobicContact CG1-CB 4.41Å; I1402-L1409 HydrophobicContact CG1-CD1 3.96Å; I1402-S1410 WeakPolarHBondContact O-CB 3.26Å; I1402-L1413 HydrophobicContact CG2-CD1 3.89Å; I1402-L1444 HydrophobicContact CD1-CD2 3.72Å; I1402-L1447 HydrophobicContact CD1-CD2 4.16Å; I1402-V1483 HydrophobicContact CB-CG1 4.17Å; I1402-V1483 HydrophobicContact CB-CG2 4.23Å; I1402-V1483 HydrophobicContact CG2-CB 4.4Å; I1402-V1483 HydrophobicContact CG2-CG1 3.71Å; I1402-V1483 HydrophobicContact CG2-CG2 4.28Å; I1402-F1486 WeakPolarHBondContact O-CD2 3.33Å; I1402-F1486 WeakPolarHBondContact O-CE2 3.18Å |
| 1403 | G | 80.2 | Confident | 81.3 | Confident | 4.2 Ų | 4.2 | 34.5 Ų | 34.5 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.4 | -17.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1399 F1400 L1401 P1405 V1483 | M1399-G1403 PolarHBondContact O-N 3.09Å; F1400-G1403 PolarHBondContact O-N 3.28Å; L1401-G1403 VanDerWaalsContact C-N 3.34Å; G1403-P1405 VanDerWaalsContact O-CD 3.26Å; G1403-P1405 WeakPolarHBondContact O-CD 3.36Å; G1403-V1483 VanDerWaalsContact CA-CG2 3.5Å |
| 1404 | D | 81.6 | Confident | 81.3 | Confident | 71 Ų | 71 | 33.4 Ų | 33.4 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | trans | -70.7 | 111.7 | 175 | -178.4 | 3.7 | 0 | 0 | 0 | 110.7 | F1400 I1402 Q1406 G1407 S1410 | F1400-D1404 PolarHBondContact O-N 3.31Å; I1402-D1404 VanDerWaalsContact C-N 3.32Å; I1402-D1404 PolarHBondContact O-N 3.08Å; D1404-Q1406 PolarHBondContact O-N 3.23Å; D1404-Q1406 PolarHBondContact OD1-N 3.22Å; D1404-G1407 PolarHBondContact O-N 3.17Å; D1404-S1410 VanDerWaalsContact O-CB 3.25Å; D1404-S1410 WeakPolarHBondContact O-CB 3.27Å; D1404-S1410 PolarHBondContact O-OG 3.15Å | ||
| 1405 | P | 75.6 | Confident | 80.9 | Confident | 77.4 Ų | 77.4 | 38 Ų | 38 | 50% | 0.503 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.6 | -178.9 | 28.9 | -36.5 | 0 | 0 | 0 | 113.8 | G1403 G1407 S1410 F1486 | G1403-P1405 VanDerWaalsContact O-CD 3.26Å; G1403-P1405 WeakPolarHBondContact O-CD 3.36Å; P1405-G1407 VanDerWaalsContact C-N 3.34Å; P1405-S1410 PolarHBondContact O-OG 3.27Å; P1405-F1486 HydrophobicContact CB-CZ 4.21Å |
| 1406 | Q | 77.9 | Confident | 80 | Confident | 167.8 Ų | 167.8 | 38.6 Ų | 38.6 | 78% | 0.784 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.3 | 175.3 | -62.3 | -172.8 | -5 | 0 | 0 | 112.4 | D1404 | D1404-Q1406 PolarHBondContact O-N 3.23Å; D1404-Q1406 PolarHBondContact OD1-N 3.22Å |
| 1407 | G | 81.3 | Confident | 79.3 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -69.1 | 154.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1404 P1405 L1409 S1410 Y1411 | D1404-G1407 PolarHBondContact O-N 3.17Å; P1405-G1407 VanDerWaalsContact C-N 3.34Å; G1407-L1409 VanDerWaalsContact C-N 3.3Å; G1407-L1409 PolarHBondContact O-N 3.17Å; G1407-S1410 PolarHBondContact N-OG 3.19Å; G1407-S1410 PolarHBondContact O-N 2.96Å; G1407-S1410 PolarHBondContact O-OG 3.05Å; G1407-Y1411 VanDerWaalsContact O-CB 3.28Å; G1407-Y1411 WeakPolarHBondContact O-CB 3.4Å; G1407-Y1411 PolarHBondContact O-N 3.21Å |
| 1408 | P | 82.6 | Confident | 78 | Confident | 1.6 Ų | 1.6 | 43.8 Ų | 43.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -31 | 177.2 | 26.7 | -32.7 | 0 | 0 | 0 | 112.6 | M1351 L1354 L1364 C1412 | M1351-P1408 VanDerWaalsContact C-CG 3.45Å; M1351-P1408 WeakPolarHBondContact O-CD 3.31Å; M1351-P1408 VanDerWaalsContact O-CG 3.29Å; M1351-P1408 WeakPolarHBondContact O-CG 3.28Å; L1354-P1408 HydrophobicContact CD2-CB 4.31Å; L1364-P1408 HydrophobicContact CD2-CB 4.34Å; P1408-C1412 VanDerWaalsContact O-CB 3.32Å; P1408-C1412 WeakPolarHBondContact O-CB 3.32Å; P1408-C1412 PolarHBondContact O-N 3.2Å; P1408-C1412 PolarHBondContact O-SG 3.18Å |
| 1409 | L | 85.4 | Confident | 76.4 | Confident | 1.8 Ų | 1.8 | 45.2 Ų | 45.2 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.9 | -46.9 | 179.6 | -58.9 | -176.6 | 0 | 0 | 0 | 111.7 | M1351 L1368 L1401 I1402 G1407 Y1411 C1412 L1413 L1440 | M1351-L1409 HydrophobicContact SD-CD1 4.22Å; M1351-L1409 HydrophobicContact SD-CD2 4.08Å; M1351-L1409 HydrophobicContact SD-CG 4.22Å; L1368-L1409 HydrophobicContact CD1-CD2 3.85Å; L1368-L1409 HydrophobicContact CD2-CD1 4.38Å; L1368-L1409 HydrophobicContact CD2-CD2 4.02Å; L1368-L1409 HydrophobicContact CG-CD2 4.44Å; L1401-L1409 HydrophobicContact CB-CD1 4.22Å; I1402-L1409 HydrophobicContact CG1-CB 4.41Å; I1402-L1409 HydrophobicContact CG1-CD1 3.96Å; G1407-L1409 VanDerWaalsContact C-N 3.3Å; G1407-L1409 PolarHBondContact O-N 3.17Å; L1409-Y1411 VanDerWaalsContact C-N 3.34Å; L1409-C1412 PolarHBondContact O-N 3.22Å; L1409-L1413 WeakPolarHBondContact O-CG 3.26Å; L1409-L1413 PolarHBondContact O-N 3.14Å; L1409-L1440 HydrophobicContact CD2-CD1 4.21Å |
| 1410 | S | 81.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.1 | 62 | 0 | 0 | 0 | 0 | 111.3 | I1402 D1404 P1405 G1407 C1412 L1413 L1414 | I1402-S1410 WeakPolarHBondContact O-CB 3.26Å; D1404-S1410 VanDerWaalsContact O-CB 3.25Å; D1404-S1410 WeakPolarHBondContact O-CB 3.27Å; D1404-S1410 PolarHBondContact O-OG 3.15Å; P1405-S1410 PolarHBondContact O-OG 3.27Å; G1407-S1410 PolarHBondContact N-OG 3.19Å; G1407-S1410 PolarHBondContact O-N 2.96Å; G1407-S1410 PolarHBondContact O-OG 3.05Å; S1410-C1412 VanDerWaalsContact C-N 3.33Å; S1410-C1412 PolarHBondContact O-N 3.1Å; S1410-L1413 PolarHBondContact O-N 3.15Å; S1410-L1413 VanDerWaalsContact O-N 3.15Å; S1410-L1414 WeakPolarHBondContact O-CB 3.42Å; S1410-L1414 VanDerWaalsContact O-CG 3.29Å; S1410-L1414 WeakPolarHBondContact O-CG 3.22Å; S1410-L1414 PolarHBondContact O-N 3.12Å |
| 1411 | Y | 81 | Confident | 73.8 | Confident | 70.2 Ų | 70.2 | 42.2 Ų | 42.2 | 28% | 0.275 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 172.7 | 179 | -97.5 | 0 | 0 | 0 | 112 | L1354 G1407 L1409 L1413 L1414 Q1415 A1418 | L1354-Y1411 HydrophobicContact CD2-CD1 3.53Å; L1354-Y1411 VanDerWaalsContact CD2-CD1 3.48Å; L1354-Y1411 HydrophobicContact CD2-CD2 4.2Å; L1354-Y1411 HydrophobicContact CD2-CE1 4.21Å; L1354-Y1411 HydrophobicContact CD2-CG 3.52Å; L1354-Y1411 VanDerWaalsContact CD2-CG 3.45Å; G1407-Y1411 VanDerWaalsContact O-CB 3.28Å; G1407-Y1411 WeakPolarHBondContact O-CB 3.4Å; G1407-Y1411 PolarHBondContact O-N 3.21Å; L1409-Y1411 VanDerWaalsContact C-N 3.34Å; Y1411-L1413 VanDerWaalsContact C-N 3.3Å; Y1411-L1413 PolarHBondContact O-N 3.08Å; Y1411-L1414 PolarHBondContact O-N 3.18Å; Y1411-Q1415 HydrophobicContact CE2-CB 4.36Å; Y1411-Q1415 VanDerWaalsContact CE2-OE1 3.3Å; Y1411-Q1415 PolarHBondContact O-N 3.21Å; Y1411-A1418 WeakPolarHBondContact OH-CB 3.25Å; Y1411-A1418 PolarHBondContact OH-O 2.82Å |
| 1412 | C | 79.3 | Confident | 72.7 | Confident | 3.4 Ų | 3.4 | 51.2 Ų | 51.2 | 2% | 0.023 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 177.1 | -72.2 | 0 | 0 | 0 | 0 | 113.1 | P1408 L1409 S1410 L1435 I1436 L1440 | P1408-C1412 VanDerWaalsContact O-CB 3.32Å; P1408-C1412 WeakPolarHBondContact O-CB 3.32Å; P1408-C1412 PolarHBondContact O-N 3.2Å; P1408-C1412 PolarHBondContact O-SG 3.18Å; L1409-C1412 PolarHBondContact O-N 3.22Å; S1410-C1412 VanDerWaalsContact C-N 3.33Å; S1410-C1412 PolarHBondContact O-N 3.1Å; C1412-L1435 HydrophobicContact CB-CD2 4.02Å; C1412-L1435 VanDerWaalsContact SG-CD2 3.54Å; C1412-I1436 HydrophobicContact CB-CG1 4.29Å; C1412-L1440 HydrophobicContact CB-CD2 4.25Å |
| 1413 | L | 79.3 | Confident | 71.7 | Confident | 0.6 Ų | 0.6 | 57.7 Ų | 57.7 | 0% | 0.003 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -75.5 | -46 | 176 | -71.8 | 170.4 | 0 | 0 | 0 | 112.5 | I1402 L1409 S1410 Y1411 L1440 L1444 W1490 | I1402-L1413 HydrophobicContact CG2-CD1 3.89Å; L1409-L1413 WeakPolarHBondContact O-CG 3.26Å; L1409-L1413 PolarHBondContact O-N 3.14Å; S1410-L1413 PolarHBondContact O-N 3.15Å; S1410-L1413 VanDerWaalsContact O-N 3.15Å; Y1411-L1413 VanDerWaalsContact C-N 3.3Å; Y1411-L1413 PolarHBondContact O-N 3.08Å; L1413-L1440 HydrophobicContact CD1-CD2 4.31Å; L1413-L1440 HydrophobicContact CD2-CD2 3.56Å; L1413-L1440 VanDerWaalsContact CD2-CD2 3.47Å; L1413-L1440 HydrophobicContact CD2-CG 4.24Å; L1413-L1440 HydrophobicContact CG-CD2 3.66Å; L1413-L1444 HydrophobicContact CD1-CD1 4.48Å; L1413-L1444 HydrophobicContact CD2-CD1 4.04Å; L1413-W1490 HydrophobicContact CB-CB 4.24Å; L1413-W1490 HydrophobicContact CB-CG 4.41Å; L1413-W1490 HydrophobicContact CD2-CB 4.17Å; L1413-W1490 HydrophobicContact CD2-CD2 3.89Å; L1413-W1490 HydrophobicContact CD2-CE3 4.45Å; L1413-W1490 HydrophobicContact CD2-CG 3.7Å; L1413-W1490 WeakPolarHBondContact O-CB 3.15Å; L1413-W1490 VanDerWaalsContact O-CD1 3.28Å |
| 1414 | L | 75.8 | Confident | 71.2 | Confident | 46.6 Ų | 46.6 | 59.2 Ų | 59.2 | 24% | 0.244 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -79.1 | -33.7 | -172.4 | -67.9 | 175 | 0 | 0 | 0 | 112.9 | S1410 Y1411 P1416 F1486 Q1489 | S1410-L1414 WeakPolarHBondContact O-CB 3.42Å; S1410-L1414 VanDerWaalsContact O-CG 3.29Å; S1410-L1414 WeakPolarHBondContact O-CG 3.22Å; S1410-L1414 PolarHBondContact O-N 3.12Å; Y1411-L1414 PolarHBondContact O-N 3.18Å; L1414-P1416 VanDerWaalsContact C-CD 3.43Å; L1414-P1416 WeakPolarHBondContact O-CD 3.37Å; L1414-F1486 HydrophobicContact CD1-CD1 4Å; L1414-F1486 HydrophobicContact CD1-CE1 4.04Å; L1414-F1486 HydrophobicContact CD1-CG 4.42Å; L1414-F1486 HydrophobicContact CD1-CZ 4.44Å; L1414-F1486 HydrophobicContact CD2-CB 4.34Å; L1414-F1486 HydrophobicContact CD2-CD1 3.88Å; L1414-F1486 HydrophobicContact CD2-CE1 4.44Å; L1414-F1486 HydrophobicContact CD2-CG 4.32Å; L1414-F1486 HydrophobicContact CG-CD1 4.31Å; L1414-F1486 HydrophobicContact CG-CG 4.42Å; L1414-Q1489 HydrophobicContact CD2-CB 4.27Å; L1414-Q1489 HydrophobicContact CD2-CG 4.21Å; L1414-Q1489 VanDerWaalsContact CD2-OE1 3.25Å |
| 1415 | Q | 73.3 | Confident | 71.2 | Confident | 98.4 Ų | 98.4 | 58.6 Ų | 58.6 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | trans | -124.7 | 62.6 | -174.8 | -60.3 | -170.1 | 2 | 0 | 0 | 113.3 | Y1411 K1417 A1418 G1419 | Y1411-Q1415 HydrophobicContact CE2-CB 4.36Å; Y1411-Q1415 VanDerWaalsContact CE2-OE1 3.3Å; Y1411-Q1415 PolarHBondContact O-N 3.21Å; Q1415-K1417 VanDerWaalsContact C-N 3.28Å; Q1415-K1417 PolarHBondContact O-N 2.99Å; Q1415-K1417 VanDerWaalsContact O-N 3.09Å; Q1415-A1418 HydrophobicContact CB-CB 3.67Å; Q1415-A1418 HydrophobicContact CG-CB 4.36Å; Q1415-A1418 PolarHBondContact O-N 3.2Å; Q1415-A1418 VanDerWaalsContact O-N 3.13Å; Q1415-A1418 VanDerWaalsContact OE1-CB 3.27Å; Q1415-G1419 PolarHBondContact O-N 3.36Å | ||
| 1416 | P | 63.3 | Low | 71.3 | Confident | 14.6 Ų | 14.6 | 60.2 Ų | 60.2 | 10% | 0.095 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.4 | -176.9 | 25.9 | -34.7 | 0 | 0 | 0 | 113.5 | L1414 I1436 Y1437 | L1414-P1416 VanDerWaalsContact C-CD 3.43Å; L1414-P1416 WeakPolarHBondContact O-CD 3.37Å; P1416-I1436 HydrophobicContact CB-CD1 4.31Å; P1416-I1436 HydrophobicContact CB-CG2 4.03Å; P1416-Y1437 HydrophobicContact CB-CE1 4.47Å |
| 1417 | K | 62.3 | Low | 71.5 | Confident | 144.2 Ų | 144.2 | 61.4 Ų | 61.4 | 63% | 0.627 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -20.7 | 178.9 | -64.8 | -174.5 | -178.5 | -179.5 | 0 | 114.1 | Q1415 G1419 V1420 E1497 | Q1415-K1417 VanDerWaalsContact C-N 3.28Å; Q1415-K1417 PolarHBondContact O-N 2.99Å; Q1415-K1417 VanDerWaalsContact O-N 3.09Å; K1417-G1419 VanDerWaalsContact C-N 3.32Å; K1417-G1419 PolarHBondContact O-N 3.06Å; K1417-G1419 VanDerWaalsContact O-N 3.16Å; K1417-V1420 PolarHBondContact O-N 3.32Å; K1417-V1420 VanDerWaalsContact O-N 3.09Å; K1417-E1497 WeakPolarHBondContact CE-OE1 3.35Å; K1417-E1497 IonicContact NZ-OE1 3.09Å; K1417-E1497 PolarHBondContact NZ-OE1 2.92Å |
| 1418 | A | 56.4 | Low | 71.5 | Confident | 46.4 Ų | 46.4 | 62.2 Ų | 62.2 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 69.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y1411 Q1415 V1420 | Y1411-A1418 WeakPolarHBondContact OH-CB 3.25Å; Y1411-A1418 PolarHBondContact OH-O 2.82Å; Q1415-A1418 HydrophobicContact CB-CB 3.67Å; Q1415-A1418 HydrophobicContact CG-CB 4.36Å; Q1415-A1418 PolarHBondContact O-N 3.2Å; Q1415-A1418 VanDerWaalsContact O-N 3.13Å; Q1415-A1418 VanDerWaalsContact OE1-CB 3.27Å; A1418-V1420 VanDerWaalsContact C-N 3.31Å; A1418-V1420 PolarHBondContact O-N 3.31Å |
| 1419 | G | 53.6 | Low | 71.3 | Confident | 29.6 Ų | 29.6 | 63.5 Ų | 63.5 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -25.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1415 K1417 G1421 D1424 K1432 | Q1415-G1419 PolarHBondContact O-N 3.36Å; K1417-G1419 VanDerWaalsContact C-N 3.32Å; K1417-G1419 PolarHBondContact O-N 3.06Å; K1417-G1419 VanDerWaalsContact O-N 3.16Å; G1419-G1421 PolarHBondContact O-N 3.11Å; G1419-G1421 VanDerWaalsContact O-N 3.11Å; G1419-D1424 VanDerWaalsContact O-OD1 3.12Å; G1419-K1432 VanDerWaalsContact C-NZ 3.26Å; G1419-K1432 WeakPolarHBondContact O-CD 3.44Å; G1419-K1432 WeakPolarHBondContact O-CE 3.15Å; G1419-K1432 PolarHBondContact O-NZ 3.24Å |
| 1420 | V | 55.6 | Low | 71.2 | Confident | 54 Ų | 54 | 67 Ų | 67 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | trans | -82.7 | 77.5 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | K1417 A1418 D1424 V1429 K1432 | K1417-V1420 PolarHBondContact O-N 3.32Å; K1417-V1420 VanDerWaalsContact O-N 3.09Å; A1418-V1420 VanDerWaalsContact C-N 3.31Å; A1418-V1420 PolarHBondContact O-N 3.31Å; V1420-D1424 WeakPolarHBondContact CA-OD2 3.37Å; V1420-V1429 HydrophobicContact CG1-CB 4.36Å; V1420-V1429 HydrophobicContact CG1-CG1 3.97Å; V1420-V1429 HydrophobicContact CG1-CG2 3.98Å; V1420-K1432 HydrophobicContact CG2-CB 4.25Å; V1420-K1432 HydrophobicContact CG2-CD 3.95Å | ||
| 1421 | G | 57.4 | Low | 71.3 | Confident | 29.6 Ų | 29.6 | 67 Ų | 67 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | trans | -75.6 | 155.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1419 T1423 D1424 | G1419-G1421 PolarHBondContact O-N 3.11Å; G1419-G1421 VanDerWaalsContact O-N 3.11Å; G1421-T1423 PolarHBondContact O-N 3.21Å; G1421-T1423 VanDerWaalsContact O-N 3.09Å; G1421-D1424 PolarHBondContact N-OD2 3.22Å; G1421-D1424 VanDerWaalsContact N-OD2 3.11Å; G1421-D1424 VanDerWaalsContact O-CB 3.3Å; G1421-D1424 WeakPolarHBondContact O-CB 3.38Å; G1421-D1424 PolarHBondContact O-N 3.1Å | ||
| 1422 | E | 59.1 | Low | 71.3 | Confident | 209.8 Ų | 209.8 | 64.3 Ų | 64.3 | 98% | 0.98 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.2 | 169.9 | -67.4 | -176.4 | 162.5 | 0 | 0 | 112.4 | D1424 | E1422-D1424 VanDerWaalsContact C-N 3.29Š|
| 1423 | T | 63.5 | Low | 71.5 | Confident | 138.4 Ų | 138.4 | 69.1 Ų | 69.1 | 85% | 0.849 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.8 | 175.6 | 54.4 | 0 | 0 | 0 | 0 | 114 | G1421 | G1421-T1423 PolarHBondContact O-N 3.21Å; G1421-T1423 VanDerWaalsContact O-N 3.09Å |
| 1424 | D | 70 | Confident | 71.7 | Confident | 34.6 Ų | 34.6 | 73.2 Ų | 73.2 | 19% | 0.185 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -70.7 | 135.1 | 179.8 | -83.6 | 4.8 | 0 | 0 | 0 | 111 | G1419 V1420 G1421 E1422 L1428 V1429 K1432 | G1419-D1424 VanDerWaalsContact O-OD1 3.12Å; V1420-D1424 WeakPolarHBondContact CA-OD2 3.37Å; G1421-D1424 PolarHBondContact N-OD2 3.22Å; G1421-D1424 VanDerWaalsContact N-OD2 3.11Å; G1421-D1424 VanDerWaalsContact O-CB 3.3Å; G1421-D1424 WeakPolarHBondContact O-CB 3.38Å; G1421-D1424 PolarHBondContact O-N 3.1Å; E1422-D1424 VanDerWaalsContact C-N 3.29Å; D1424-L1428 HydrophobicContact CB-CB 4.31Å; D1424-L1428 HydrophobicContact CB-CD2 4.17Å; D1424-L1428 HydrophobicContact CB-CG 4.38Å; D1424-L1428 WeakPolarHBondContact OD1-CD2 3.4Å; D1424-L1428 WeakPolarHBondContact OD2-CD2 3.36Å; D1424-V1429 HydrophobicContact CB-CG2 3.64Å; D1424-K1432 IonicContact OD1-NZ 3.34Å; D1424-K1432 IonicContact OD2-NZ 3.12Å; D1424-K1432 PolarHBondContact OD2-NZ 3.14Å |
| 1425 | S | 80.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 71 Ų | 71 | 41% | 0.413 | 39% | 0.386 | S | S | . | . | trans | -58.8 | 145.8 | 170.7 | 71.8 | 0 | 0 | 0 | 0 | 110.8 | R1427 L1428 V1429 | S1425-R1427 PolarHBondContact O-N 3.12Å; S1425-L1428 WeakPolarHBondContact O-CA 3.41Å; S1425-L1428 WeakPolarHBondContact O-CB 3.31Å; S1425-L1428 PolarHBondContact O-N 3.1Å; S1425-L1428 WeakPolarHBondContact OG-CB 3.32Å; S1425-L1428 PolarHBondContact OG-N 3.29Å; S1425-V1429 WeakPolarHBondContact O-CG2 3.35Å; S1425-V1429 PolarHBondContact O-N 3.14Å; S1425-V1429 VanDerWaalsContact O-N 3.11Å | ||
| 1426 | P | 79.5 | Confident | 72.5 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57 | -29.4 | 179.5 | 21.5 | -33.4 | 0 | 0 | 0 | 112.7 | S1430 | P1426-S1430 WeakPolarHBondContact O-CB 3.33Å; P1426-S1430 PolarHBondContact O-N 3.34Å; P1426-S1430 PolarHBondContact O-OG 3.15Å |
| 1427 | R | 80.9 | Confident | 73.3 | Confident | 192.4 Ų | 192.4 | 67.4 Ų | 67.4 | 73% | 0.726 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 173.9 | -82.4 | -177.2 | 179.4 | 178 | 0.1 | 112.4 | S1425 S1430 A1431 | S1425-R1427 PolarHBondContact O-N 3.12Å; R1427-S1430 WeakPolarHBondContact CA-OG 3.45Å; R1427-S1430 PolarHBondContact O-N 2.93Å; R1427-S1430 PolarHBondContact O-OG 3.04Å; R1427-A1431 WeakPolarHBondContact O-CB 3.34Å; R1427-A1431 PolarHBondContact O-N 3.2Å |
| 1428 | L | 80.9 | Confident | 74.3 | Confident | 20.8 Ų | 20.8 | 63.7 Ų | 63.7 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.9 | -179.4 | 59.3 | 0 | 0 | 0 | 111.1 | Y1361 D1424 S1425 S1430 A1431 K1432 | Y1361-L1428 HydrophobicContact CD2-CD1 3.75Å; Y1361-L1428 HydrophobicContact CE2-CD1 3.96Å; D1424-L1428 HydrophobicContact CB-CB 4.31Å; D1424-L1428 HydrophobicContact CB-CD2 4.17Å; D1424-L1428 HydrophobicContact CB-CG 4.38Å; D1424-L1428 WeakPolarHBondContact OD1-CD2 3.4Å; D1424-L1428 WeakPolarHBondContact OD2-CD2 3.36Å; S1425-L1428 WeakPolarHBondContact O-CA 3.41Å; S1425-L1428 WeakPolarHBondContact O-CB 3.31Å; S1425-L1428 PolarHBondContact O-N 3.1Å; S1425-L1428 WeakPolarHBondContact OG-CB 3.32Å; S1425-L1428 PolarHBondContact OG-N 3.29Å; L1428-S1430 VanDerWaalsContact C-N 3.33Å; L1428-S1430 PolarHBondContact O-N 3.3Å; L1428-A1431 PolarHBondContact O-N 3.21Å; L1428-K1432 HydrophobicContact CD1-CD 4.33Å; L1428-K1432 HydrophobicContact CD1-CG 4.38Å; L1428-K1432 HydrophobicContact CG-CD 4.19Å; L1428-K1432 WeakPolarHBondContact O-CB 3.23Å; L1428-K1432 WeakPolarHBondContact O-CG 3.38Å; L1428-K1432 PolarHBondContact O-N 2.87Å |
| 1429 | V | 79.9 | Confident | 75.7 | Confident | 28.8 Ų | 28.8 | 61.8 Ų | 61.8 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | V1420 D1424 S1425 A1431 K1432 K1433 | V1420-V1429 HydrophobicContact CG1-CB 4.36Å; V1420-V1429 HydrophobicContact CG1-CG1 3.97Å; V1420-V1429 HydrophobicContact CG1-CG2 3.98Å; D1424-V1429 HydrophobicContact CB-CG2 3.64Å; S1425-V1429 WeakPolarHBondContact O-CG2 3.35Å; S1425-V1429 PolarHBondContact O-N 3.14Å; S1425-V1429 VanDerWaalsContact O-N 3.11Å; V1429-A1431 PolarHBondContact O-N 3.25Å; V1429-K1432 PolarHBondContact O-N 3.37Å; V1429-K1433 HydrophobicContact CG1-CD 4.13Å; V1429-K1433 HydrophobicContact CG1-CG 4.42Å; V1429-K1433 WeakPolarHBondContact O-CB 3.4Å; V1429-K1433 VanDerWaalsContact O-CG 3.26Å; V1429-K1433 WeakPolarHBondContact O-CG 3.37Å; V1429-K1433 PolarHBondContact O-N 3.04Å |
| 1430 | S | 82.3 | Confident | 77.3 | Confident | 73.6 Ų | 73.6 | 60.5 Ų | 60.5 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.5 | 139.1 | 0 | 0 | 0 | 0 | 112.7 | P1426 R1427 L1428 K1433 H1434 | P1426-S1430 WeakPolarHBondContact O-CB 3.33Å; P1426-S1430 PolarHBondContact O-N 3.34Å; P1426-S1430 PolarHBondContact O-OG 3.15Å; R1427-S1430 WeakPolarHBondContact CA-OG 3.45Å; R1427-S1430 PolarHBondContact O-N 2.93Å; R1427-S1430 PolarHBondContact O-OG 3.04Å; L1428-S1430 VanDerWaalsContact C-N 3.33Å; L1428-S1430 PolarHBondContact O-N 3.3Å; S1430-K1433 PolarHBondContact O-N 3.21Å; S1430-H1434 WeakPolarHBondContact O-CB 3.33Å; S1430-H1434 PolarHBondContact O-N 3.1Å |
| 1431 | A | 82.8 | Confident | 78.7 | Confident | 0.8 Ų | 0.8 | 58 Ų | 58 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1358 N1362 R1427 L1428 V1429 K1433 H1434 L1435 | S1358-A1431 WeakPolarHBondContact O-CB 3.39Å; N1362-A1431 VanDerWaalsContact OD1-CB 3.31Å; N1362-A1431 WeakPolarHBondContact OD1-CB 3.36Å; R1427-A1431 WeakPolarHBondContact O-CB 3.34Å; R1427-A1431 PolarHBondContact O-N 3.2Å; L1428-A1431 PolarHBondContact O-N 3.21Å; V1429-A1431 PolarHBondContact O-N 3.25Å; A1431-K1433 PolarHBondContact O-N 2.95Å; A1431-H1434 PolarHBondContact O-N 3.16Å; A1431-L1435 PolarHBondContact O-N 3.09Å; A1431-L1435 VanDerWaalsContact O-N 3.11Å |
| 1432 | K | 82.8 | Confident | 80.1 | Confident | 13.4 Ų | 13.4 | 58.4 Ų | 58.4 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.9 | -76.1 | 175.7 | 178.3 | 168.4 | 0 | 111.3 | Y1361 G1419 V1420 D1424 L1428 V1429 H1434 L1435 I1436 | Y1361-K1432 HydrophobicContact CD1-CB 4.45Å; Y1361-K1432 HydrophobicContact CD1-CG 3.81Å; Y1361-K1432 HydrophobicContact CD2-CG 3.9Å; Y1361-K1432 HydrophobicContact CE1-CB 4.46Å; Y1361-K1432 HydrophobicContact CE1-CD 4.49Å; Y1361-K1432 HydrophobicContact CE1-CG 3.63Å; Y1361-K1432 HydrophobicContact CE2-CD 4.21Å; Y1361-K1432 VanDerWaalsContact CE2-CE 3.45Å; Y1361-K1432 HydrophobicContact CE2-CG 3.73Å; Y1361-K1432 HydrophobicContact CG-CG 3.96Å; Y1361-K1432 VanDerWaalsContact CZ-CE 3.47Å; Y1361-K1432 VanDerWaalsContact CZ-CG 3.48Å; Y1361-K1432 WeakPolarHBondContact OH-CE 3.31Å; G1419-K1432 VanDerWaalsContact C-NZ 3.26Å; G1419-K1432 WeakPolarHBondContact O-CD 3.44Å; G1419-K1432 WeakPolarHBondContact O-CE 3.15Å; G1419-K1432 PolarHBondContact O-NZ 3.24Å; V1420-K1432 HydrophobicContact CG2-CB 4.25Å; V1420-K1432 HydrophobicContact CG2-CD 3.95Å; D1424-K1432 IonicContact OD1-NZ 3.34Å; D1424-K1432 IonicContact OD2-NZ 3.12Å; D1424-K1432 PolarHBondContact OD2-NZ 3.14Å; L1428-K1432 HydrophobicContact CD1-CD 4.33Å; L1428-K1432 HydrophobicContact CD1-CG 4.38Å; L1428-K1432 HydrophobicContact CG-CD 4.19Å; L1428-K1432 WeakPolarHBondContact O-CB 3.23Å; L1428-K1432 WeakPolarHBondContact O-CG 3.38Å; L1428-K1432 PolarHBondContact O-N 2.87Å; V1429-K1432 PolarHBondContact O-N 3.37Å; K1432-H1434 VanDerWaalsContact C-N 3.33Å; K1432-H1434 PolarHBondContact O-N 3.03Å; K1432-L1435 PolarHBondContact O-N 3.33Å; K1432-I1436 HydrophobicContact CB-CD1 4.41Å; K1432-I1436 WeakPolarHBondContact O-CB 3.35Å; K1432-I1436 WeakPolarHBondContact O-CD1 3.41Å; K1432-I1436 VanDerWaalsContact O-CG1 3.25Å; K1432-I1436 WeakPolarHBondContact O-CG1 3.37Å; K1432-I1436 PolarHBondContact O-N 3.29Å |
| 1433 | K | 81.8 | Confident | 81.5 | Confident | 105.4 Ų | 105.4 | 48.4 Ų | 48.4 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.8 | -73.7 | -175.7 | 177 | -177.6 | 0 | 111.8 | V1429 S1430 A1431 L1435 I1436 Y1437 | V1429-K1433 HydrophobicContact CG1-CD 4.13Å; V1429-K1433 HydrophobicContact CG1-CG 4.42Å; V1429-K1433 WeakPolarHBondContact O-CB 3.4Å; V1429-K1433 VanDerWaalsContact O-CG 3.26Å; V1429-K1433 WeakPolarHBondContact O-CG 3.37Å; V1429-K1433 PolarHBondContact O-N 3.04Å; S1430-K1433 PolarHBondContact O-N 3.21Å; A1431-K1433 PolarHBondContact O-N 2.95Å; K1433-L1435 VanDerWaalsContact C-N 3.34Å; K1433-L1435 PolarHBondContact O-N 3.16Å; K1433-I1436 PolarHBondContact O-N 3.02Å; K1433-Y1437 HydrophobicContact CB-CD2 3.87Å; K1433-Y1437 HydrophobicContact CB-CE2 4.16Å; K1433-Y1437 HydrophobicContact CD-CE2 4.28Å; K1433-Y1437 HydrophobicContact CG-CD2 3.95Å; K1433-Y1437 HydrophobicContact CG-CE2 3.71Å; K1433-Y1437 WeakPolarHBondContact O-CA 3.48Å; K1433-Y1437 WeakPolarHBondContact O-CB 3.4Å; K1433-Y1437 PolarHBondContact O-N 3.2Å |
| 1434 | H | 84.6 | Confident | 82.6 | Confident | 85.4 Ų | 85.4 | 41.8 Ų | 41.8 | 40% | 0.395 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 179.5 | -177.9 | 66.7 | 0 | 0 | 0 | 112.4 | S1430 A1431 K1432 H1438 A1439 | S1430-H1434 WeakPolarHBondContact O-CB 3.33Å; S1430-H1434 PolarHBondContact O-N 3.1Å; A1431-H1434 PolarHBondContact O-N 3.16Å; K1432-H1434 VanDerWaalsContact C-N 3.33Å; K1432-H1434 PolarHBondContact O-N 3.03Å; H1434-H1438 WeakPolarHBondContact O-CB 3.32Å; H1434-H1438 PolarHBondContact O-N 3.16Å; H1434-H1438 VanDerWaalsContact O-N 3.11Å; H1434-A1439 PolarHBondContact O-N 3.01Å; H1434-A1439 VanDerWaalsContact O-N 3.11Å |
| 1435 | L | 84.8 | Confident | 83.3 | Confident | 0.8 Ų | 0.8 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -63.5 | -54 | 177.4 | -179.2 | 83.1 | 0 | 0 | 0 | 111.9 | Y1361 L1364 A1365 L1368 C1412 A1431 K1432 K1433 A1439 L1440 | Y1361-L1435 HydrophobicContact CD1-CB 4.47Å; Y1361-L1435 HydrophobicContact CD1-CD2 3.64Å; Y1361-L1435 HydrophobicContact CE1-CD2 4.13Å; L1364-L1435 HydrophobicContact CB-CD1 4.41Å; L1364-L1435 HydrophobicContact CD2-CD1 4.33Å; L1364-L1435 HydrophobicContact CD2-CD2 3.71Å; L1364-L1435 HydrophobicContact CG-CD1 4.03Å; L1364-L1435 HydrophobicContact CG-CD2 4.27Å; A1365-L1435 HydrophobicContact CB-CB 4.36Å; A1365-L1435 HydrophobicContact CB-CD1 3.86Å; L1368-L1435 HydrophobicContact CD1-CD1 3.63Å; C1412-L1435 HydrophobicContact CB-CD2 4.02Å; C1412-L1435 VanDerWaalsContact SG-CD2 3.54Å; A1431-L1435 PolarHBondContact O-N 3.09Å; A1431-L1435 VanDerWaalsContact O-N 3.11Å; K1432-L1435 PolarHBondContact O-N 3.33Å; K1433-L1435 VanDerWaalsContact C-N 3.34Å; K1433-L1435 PolarHBondContact O-N 3.16Å; L1435-A1439 HydrophobicContact CD1-CB 4.49Å; L1435-A1439 PolarHBondContact O-N 3.35Å; L1435-L1440 WeakPolarHBondContact O-CB 3.4Å; L1435-L1440 PolarHBondContact O-N 3.12Å |
| 1436 | I | 81.5 | Confident | 83.5 | Confident | 7.8 Ų | 7.8 | 39.4 Ų | 39.4 | 4% | 0.04 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -73.8 | -36 | -170 | -60.8 | 167 | 0 | 0 | 0 | 111.5 | C1412 P1416 K1432 K1433 P1441 | C1412-I1436 HydrophobicContact CB-CG1 4.29Å; P1416-I1436 HydrophobicContact CB-CD1 4.31Å; P1416-I1436 HydrophobicContact CB-CG2 4.03Å; K1432-I1436 HydrophobicContact CB-CD1 4.41Å; K1432-I1436 WeakPolarHBondContact O-CB 3.35Å; K1432-I1436 WeakPolarHBondContact O-CD1 3.41Å; K1432-I1436 VanDerWaalsContact O-CG1 3.25Å; K1432-I1436 WeakPolarHBondContact O-CG1 3.37Å; K1432-I1436 PolarHBondContact O-N 3.29Å; K1433-I1436 PolarHBondContact O-N 3.02Å; I1436-P1441 VanDerWaalsContact O-CD 3.28Å; I1436-P1441 WeakPolarHBondContact O-CD 3.43Å; I1436-P1441 VanDerWaalsContact O-CG 3.28Å; I1436-P1441 WeakPolarHBondContact O-CG 3.45Å |
| 1437 | Y | 80.2 | Confident | 83.8 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 12% | 0.118 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -101.6 | -15 | -171.1 | -56.8 | -28.8 | 0 | 0 | 0 | 114.6 | P1416 K1433 R1508 | P1416-Y1437 HydrophobicContact CB-CE1 4.47Å; K1433-Y1437 HydrophobicContact CB-CD2 3.87Å; K1433-Y1437 HydrophobicContact CB-CE2 4.16Å; K1433-Y1437 HydrophobicContact CD-CE2 4.28Å; K1433-Y1437 HydrophobicContact CG-CD2 3.95Å; K1433-Y1437 HydrophobicContact CG-CE2 3.71Å; K1433-Y1437 WeakPolarHBondContact O-CA 3.48Å; K1433-Y1437 WeakPolarHBondContact O-CB 3.4Å; K1433-Y1437 PolarHBondContact O-N 3.2Å; Y1437-R1508 VanDerWaalsContact CD1-CZ 3.46Å; Y1437-R1508 VanDerWaalsContact CD1-NE 3.32Å; Y1437-R1508 HydrophobicContact CG-CG 4.36Å; Y1437-R1508 VanDerWaalsContact CZ-CZ 3.44Å; Y1437-R1508 PolarHBondContact OH-NH2 3.33Å |
| 1438 | H | 83.3 | Confident | 83.9 | Confident | 65.6 Ų | 65.6 | 24.9 Ų | 24.9 | 30% | 0.304 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -125.8 | -63.8 | 179.7 | -77.5 | -73.1 | 0 | 0 | 0 | 112.7 | H1434 L1440 P1441 C1442 L1511 | H1434-H1438 WeakPolarHBondContact O-CB 3.32Å; H1434-H1438 PolarHBondContact O-N 3.16Å; H1434-H1438 VanDerWaalsContact O-N 3.11Å; H1438-L1440 PolarHBondContact O-N 3.01Å; H1438-P1441 WeakPolarHBondContact O-CD 3.28Å; H1438-C1442 WeakPolarHBondContact O-CB 3.36Å; H1438-C1442 PolarHBondContact O-N 3.15Å; H1438-C1442 VanDerWaalsContact O-N 3.09Å; H1438-C1442 PolarHBondContact O-SG 3.09Å; H1438-L1511 HydrophobicContact CB-CD1 4.5Å |
| 1439 | A | 84.8 | Confident | 83.9 | Confident | 7.2 Ų | 7.2 | 26.2 Ų | 26.2 | 6% | 0.06 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -62.1 | -48.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1365 H1434 L1435 L1443 | A1365-A1439 HydrophobicContact CB-CB 4.17Å; H1434-A1439 PolarHBondContact O-N 3.01Å; H1434-A1439 VanDerWaalsContact O-N 3.11Å; L1435-A1439 HydrophobicContact CD1-CB 4.49Å; L1435-A1439 PolarHBondContact O-N 3.35Å; A1439-L1443 PolarHBondContact O-N 3.21Å; A1439-L1443 VanDerWaalsContact O-N 3.15Å |
| 1440 | L | 87.1 | Confident | 83.8 | Confident | 1.2 Ų | 1.2 | 25.5 Ų | 25.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.5 | -45.6 | -177.9 | -174.5 | 64 | 0 | 0 | 0 | 113.1 | L1368 L1409 C1412 L1413 L1435 H1438 C1442 L1443 L1444 | L1368-L1440 HydrophobicContact CD1-CD1 4.35Å; L1409-L1440 HydrophobicContact CD2-CD1 4.21Å; C1412-L1440 HydrophobicContact CB-CD2 4.25Å; L1413-L1440 HydrophobicContact CD1-CD2 4.31Å; L1413-L1440 HydrophobicContact CD2-CD2 3.56Å; L1413-L1440 VanDerWaalsContact CD2-CD2 3.47Å; L1413-L1440 HydrophobicContact CD2-CG 4.24Å; L1413-L1440 HydrophobicContact CG-CD2 3.66Å; L1435-L1440 WeakPolarHBondContact O-CB 3.4Å; L1435-L1440 PolarHBondContact O-N 3.12Å; H1438-L1440 PolarHBondContact O-N 3.01Å; L1440-C1442 VanDerWaalsContact C-N 3.34Å; L1440-C1442 PolarHBondContact O-N 3.28Å; L1440-L1443 HydrophobicContact CD1-CD2 4.48Å; L1440-L1443 PolarHBondContact O-N 3.18Å; L1440-L1444 HydrophobicContact CD1-CG 4.48Å; L1440-L1444 HydrophobicContact CG-CD1 4.42Å; L1440-L1444 WeakPolarHBondContact O-CG 3.39Å; L1440-L1444 PolarHBondContact O-N 3.24Å |
| 1441 | P | 86.2 | Confident | 83.5 | Confident | 2.4 Ų | 2.4 | 22.4 Ų | 22.4 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | 174.2 | -27.9 | 37.7 | 0 | 0 | 0 | 114.1 | I1436 H1438 L1444 S1445 W1490 L1511 V1515 | I1436-P1441 VanDerWaalsContact O-CD 3.28Å; I1436-P1441 WeakPolarHBondContact O-CD 3.43Å; I1436-P1441 VanDerWaalsContact O-CG 3.28Å; I1436-P1441 WeakPolarHBondContact O-CG 3.45Å; H1438-P1441 WeakPolarHBondContact O-CD 3.28Å; P1441-L1444 PolarHBondContact O-N 3.17Å; P1441-S1445 WeakPolarHBondContact O-CB 3.29Å; P1441-S1445 PolarHBondContact O-N 3.17Å; P1441-W1490 HydrophobicContact CB-CH2 4.03Å; P1441-W1490 HydrophobicContact CB-CZ2 4.33Å; P1441-W1490 HydrophobicContact CG-CH2 3.82Å; P1441-W1490 HydrophobicContact CG-CZ2 3.65Å; P1441-L1511 HydrophobicContact CB-CB 4.08Å; P1441-L1511 HydrophobicContact CB-CD1 4.47Å; P1441-V1515 HydrophobicContact CB-CG2 4.28Å; P1441-V1515 VanDerWaalsContact O-CG2 3.25Å; P1441-V1515 WeakPolarHBondContact O-CG2 3.28Å |
| 1442 | C | 86.1 | Confident | 82.9 | Confident | 37.8 Ų | 37.8 | 23.9 Ų | 23.9 | 26% | 0.255 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 174.7 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | H1438 L1440 L1444 S1445 D1446 L1511 | H1438-C1442 WeakPolarHBondContact O-CB 3.36Å; H1438-C1442 PolarHBondContact O-N 3.15Å; H1438-C1442 VanDerWaalsContact O-N 3.09Å; H1438-C1442 PolarHBondContact O-SG 3.09Å; L1440-C1442 VanDerWaalsContact C-N 3.34Å; L1440-C1442 PolarHBondContact O-N 3.28Å; C1442-L1444 PolarHBondContact O-N 3.28Å; C1442-S1445 WeakPolarHBondContact O-CB 3.49Å; C1442-S1445 PolarHBondContact O-N 3.03Å; C1442-D1446 PolarHBondContact O-N 3.04Å; C1442-D1446 VanDerWaalsContact O-N 3.12Å; C1442-L1511 VanDerWaalsContact SG-CD1 3.56Å; C1442-L1511 VanDerWaalsContact SG-CD2 3.59Å; C1442-L1511 WeakPolarHBondContact SG-CD2 3.28Å |
| 1443 | L | 87.6 | Confident | 82.4 | Confident | 0.4 Ų | 0.4 | 28.7 Ų | 28.7 | 0% | 0.002 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 176.1 | 177.8 | 81.1 | 0 | 0 | 0 | 111.5 | L1368 H1372 L1376 L1398 A1439 L1440 S1445 D1446 L1447 | L1368-L1443 HydrophobicContact CD2-CD2 3.78Å; H1372-L1443 HydrophobicContact CB-CD1 3.83Å; L1376-L1443 HydrophobicContact CD1-CD1 4.04Å; L1398-L1443 HydrophobicContact CD1-CD1 4.07Å; L1398-L1443 HydrophobicContact CD2-CD2 4.22Å; A1439-L1443 PolarHBondContact O-N 3.21Å; A1439-L1443 VanDerWaalsContact O-N 3.15Å; L1440-L1443 HydrophobicContact CD1-CD2 4.48Å; L1440-L1443 PolarHBondContact O-N 3.18Å; L1443-S1445 VanDerWaalsContact C-N 3.33Å; L1443-S1445 PolarHBondContact O-N 2.96Å; L1443-D1446 PolarHBondContact O-N 3.11Å; L1443-L1447 WeakPolarHBondContact O-CB 3.38Å; L1443-L1447 PolarHBondContact O-N 3.33Å |
| 1444 | L | 87.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -44 | 178.4 | -72.4 | 174.7 | 0 | 0 | 0 | 111.8 | I1402 L1413 L1440 P1441 C1442 D1446 L1447 F1448 V1515 | I1402-L1444 HydrophobicContact CD1-CD2 3.72Å; L1413-L1444 HydrophobicContact CD1-CD1 4.48Å; L1413-L1444 HydrophobicContact CD2-CD1 4.04Å; L1440-L1444 HydrophobicContact CD1-CG 4.48Å; L1440-L1444 HydrophobicContact CG-CD1 4.42Å; L1440-L1444 WeakPolarHBondContact O-CG 3.39Å; L1440-L1444 PolarHBondContact O-N 3.24Å; P1441-L1444 PolarHBondContact O-N 3.17Å; C1442-L1444 PolarHBondContact O-N 3.28Å; L1444-D1446 VanDerWaalsContact C-N 3.33Å; L1444-D1446 PolarHBondContact O-N 3.02Å; L1444-L1447 HydrophobicContact CD2-CD2 4.42Å; L1444-L1447 PolarHBondContact O-N 3.06Å; L1444-F1448 HydrophobicContact CB-CD2 4.39Å; L1444-F1448 HydrophobicContact CB-CE2 4.28Å; L1444-F1448 HydrophobicContact CD2-CE2 4.04Å; L1444-F1448 HydrophobicContact CD2-CZ 4.47Å; L1444-F1448 WeakPolarHBondContact O-CD2 3.3Å; L1444-F1448 PolarHBondContact O-N 3.22Å; L1444-V1515 HydrophobicContact CB-CG1 4.38Å; L1444-V1515 HydrophobicContact CB-CG2 4.11Å |
| 1445 | S | 85.2 | Confident | 80.5 | Confident | 6.4 Ų | 6.4 | 24.9 Ų | 24.9 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | P1441 C1442 L1443 N1449 N1514 Q1518 | P1441-S1445 WeakPolarHBondContact O-CB 3.29Å; P1441-S1445 PolarHBondContact O-N 3.17Å; C1442-S1445 WeakPolarHBondContact O-CB 3.49Å; C1442-S1445 PolarHBondContact O-N 3.03Å; L1443-S1445 VanDerWaalsContact C-N 3.33Å; L1443-S1445 PolarHBondContact O-N 2.96Å; S1445-N1449 VanDerWaalsContact O-CB 3.25Å; S1445-N1449 WeakPolarHBondContact O-CB 3.4Å; S1445-N1449 PolarHBondContact O-N 3.15Å; S1445-N1449 VanDerWaalsContact O-N 3.08Å; S1445-N1449 PolarHBondContact O-ND2 3.18Å; S1445-N1514 PolarHBondContact OG-ND2 3.25Å; S1445-Q1518 VanDerWaalsContact CA-OE1 3.28Å; S1445-Q1518 VanDerWaalsContact O-CD 3.24Å; S1445-Q1518 PolarHBondContact O-NE2 3.1Å; S1445-Q1518 VanDerWaalsContact O-NE2 3.15Å; S1445-Q1518 PolarHBondContact O-OE1 3.18Å; S1445-Q1518 PolarHBondContact OG-NE2 3.12Å; S1445-Q1518 VanDerWaalsContact OG-NE2 3.14Å |
| 1446 | D | 83.5 | Confident | 79.2 | Confident | 35.2 Ų | 35.2 | 27.6 Ų | 27.6 | 19% | 0.188 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -78.1 | -29.6 | -179.6 | -77.3 | -20.1 | 0 | 0 | 0 | 113.1 | H1372 L1376 H1377 C1442 L1443 L1444 T1450 | H1372-D1446 IonicContact CD2-OD2 3.09Å; H1372-D1446 IonicContact CE1-OD2 3.2Å; H1372-D1446 PolarHBondContact CE1-OD2 3.19Å; H1372-D1446 IonicContact NE2-OD2 3Å; H1372-D1446 PolarHBondContact NE2-OD2 3.01Å; L1376-D1446 HydrophobicContact CD1-CB 4.1Å; H1377-D1446 IonicContact CE1-OD2 3.37Å; H1377-D1446 PolarHBondContact CE1-OD2 3.14Å; H1377-D1446 VanDerWaalsContact CE1-OD2 3.24Å; H1377-D1446 IonicContact NE2-OD2 2.98Å; H1377-D1446 PolarHBondContact NE2-OD2 3.23Å; C1442-D1446 PolarHBondContact O-N 3.04Å; C1442-D1446 VanDerWaalsContact O-N 3.12Å; L1443-D1446 PolarHBondContact O-N 3.11Å; L1444-D1446 VanDerWaalsContact C-N 3.33Å; L1444-D1446 PolarHBondContact O-N 3.02Å; D1446-T1450 VanDerWaalsContact O-CB 3.27Å; D1446-T1450 WeakPolarHBondContact O-CB 3.39Å; D1446-T1450 PolarHBondContact O-N 3.25Å; D1446-T1450 PolarHBondContact O-OG1 3.28Å |
| 1447 | L | 86 | Confident | 77.9 | Confident | 0.2 Ų | 0.2 | 31.3 Ų | 31.3 | 0% | 0.001 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -54.2 | 171.3 | 178 | 118.9 | 0 | 0 | 0 | 110.4 | L1376 C1395 L1398 M1399 I1402 L1443 L1444 N1449 T1450 I1451 | L1376-L1447 HydrophobicContact CD1-CB 4.36Å; C1395-L1447 HydrophobicContact CB-CD1 4.04Å; L1398-L1447 HydrophobicContact CB-CD1 3.67Å; L1398-L1447 VanDerWaalsContact CB-CD1 3.46Å; L1398-L1447 HydrophobicContact CB-CD2 4.28Å; L1398-L1447 HydrophobicContact CD1-CD1 3.83Å; L1398-L1447 HydrophobicContact CG-CD1 4.27Å; M1399-L1447 HydrophobicContact CG-CD2 4.45Å; M1399-L1447 HydrophobicContact SD-CD2 3.79Å; I1402-L1447 HydrophobicContact CD1-CD2 4.16Å; L1443-L1447 WeakPolarHBondContact O-CB 3.38Å; L1443-L1447 PolarHBondContact O-N 3.33Å; L1444-L1447 HydrophobicContact CD2-CD2 4.42Å; L1444-L1447 PolarHBondContact O-N 3.06Å; L1447-N1449 VanDerWaalsContact C-N 3.34Å; L1447-N1449 PolarHBondContact O-N 3.18Å; L1447-T1450 PolarHBondContact O-N 3.03Å; L1447-T1450 VanDerWaalsContact O-N 3.13Å; L1447-I1451 HydrophobicContact CD1-CD1 3.97Å; L1447-I1451 HydrophobicContact CD1-CG1 4.45Å; L1447-I1451 HydrophobicContact CD2-CD1 3.7Å; L1447-I1451 VanDerWaalsContact CD2-CD1 3.49Å; L1447-I1451 HydrophobicContact CG-CD1 4Å; L1447-I1451 VanDerWaalsContact O-CG1 3.31Å; L1447-I1451 WeakPolarHBondContact O-CG1 3.36Å; L1447-I1451 PolarHBondContact O-N 3.05Å |
| 1448 | F | 83.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -34.1 | 180 | -70.9 | -60.1 | 0 | 0 | 0 | 112.4 | M1399 L1444 T1450 I1451 D1452 V1483 Y1484 V1515 Q1518 L1519 | M1399-F1448 HydrophobicContact SD-CE1 4.44Å; L1444-F1448 HydrophobicContact CB-CD2 4.39Å; L1444-F1448 HydrophobicContact CB-CE2 4.28Å; L1444-F1448 HydrophobicContact CD2-CE2 4.04Å; L1444-F1448 HydrophobicContact CD2-CZ 4.47Å; L1444-F1448 WeakPolarHBondContact O-CD2 3.3Å; L1444-F1448 PolarHBondContact O-N 3.22Å; F1448-T1450 VanDerWaalsContact C-N 3.31Å; F1448-T1450 PolarHBondContact O-N 2.9Å; F1448-I1451 HydrophobicContact CD1-CD1 4.35Å; F1448-I1451 PolarHBondContact O-N 3.04Å; F1448-D1452 VanDerWaalsContact O-CB 3.25Å; F1448-D1452 WeakPolarHBondContact O-CB 3.37Å; F1448-D1452 PolarHBondContact O-N 2.97Å; F1448-V1483 HydrophobicContact CZ-CG1 4.34Å; F1448-Y1484 HydrophobicContact CD1-CE1 4.42Å; F1448-Y1484 HydrophobicContact CE1-CD1 4.41Å; F1448-Y1484 AromaticContact CE1-CE1 3.87Å; F1448-Y1484 HydrophobicContact CE1-CE1 3.87Å; F1448-Y1484 HydrophobicContact CE1-CE2 4.13Å; F1448-Y1484 AromaticContact CE1-CZ 3.87Å; F1448-V1515 HydrophobicContact CD2-CG1 4.4Å; F1448-V1515 HydrophobicContact CE2-CG1 4.4Å; F1448-Q1518 VanDerWaalsContact C-OE1 3.29Å; F1448-Q1518 HydrophobicContact CB-CB 3.99Å; F1448-L1519 HydrophobicContact CD1-CD2 4.21Å; F1448-L1519 HydrophobicContact CD2-CD2 4.05Å; F1448-L1519 HydrophobicContact CD2-CG 4.31Å; F1448-L1519 HydrophobicContact CE1-CD2 3.78Å; F1448-L1519 HydrophobicContact CE2-CD2 3.61Å; F1448-L1519 HydrophobicContact CE2-CG 4.17Å; F1448-L1519 HydrophobicContact CG-CD2 4.35Å; F1448-L1519 HydrophobicContact CZ-CD2 3.48Å; F1448-L1519 VanDerWaalsContact CZ-CD2 3.45Å; F1448-L1519 HydrophobicContact CZ-CG 4.46Å |
| 1449 | N | 80.3 | Confident | 74.5 | Confident | 47.4 Ų | 47.4 | 36.5 Ų | 36.5 | 25% | 0.253 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 170.8 | -157.7 | 0.4 | 0 | 0 | 0 | 112.3 | S1445 L1447 D1452 K1453 Q1518 | S1445-N1449 VanDerWaalsContact O-CB 3.25Å; S1445-N1449 WeakPolarHBondContact O-CB 3.4Å; S1445-N1449 PolarHBondContact O-N 3.15Å; S1445-N1449 VanDerWaalsContact O-N 3.08Å; S1445-N1449 PolarHBondContact O-ND2 3.18Å; L1447-N1449 VanDerWaalsContact C-N 3.34Å; L1447-N1449 PolarHBondContact O-N 3.18Å; N1449-D1452 WeakPolarHBondContact O-CB 3.46Å; N1449-D1452 PolarHBondContact O-N 3.11Å; N1449-K1453 VanDerWaalsContact O-CG 3.27Å; N1449-K1453 WeakPolarHBondContact O-CG 3.36Å; N1449-K1453 PolarHBondContact O-N 3.2Å; N1449-K1453 VanDerWaalsContact O-N 3.11Å; N1449-K1453 WeakPolarHBondContact OD1-CE 3.34Å; N1449-Q1518 PolarHBondContact ND2-NE2 3.01Å; N1449-Q1518 VanDerWaalsContact ND2-NE2 3.19Å; N1449-Q1518 PolarHBondContact OD1-NE2 3.37Å |
| 1450 | T | 77.8 | Confident | 72.5 | Confident | 14.2 Ų | 14.2 | 40.8 Ų | 40.8 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | L1376 K1391 D1446 L1447 F1448 D1452 K1453 F1454 | L1376-T1450 HydrophobicContact CD2-CG2 4.43Å; K1391-T1450 HydrophobicContact CB-CG2 4.38Å; K1391-T1450 HydrophobicContact CD-CG2 4.19Å; D1446-T1450 VanDerWaalsContact O-CB 3.27Å; D1446-T1450 WeakPolarHBondContact O-CB 3.39Å; D1446-T1450 PolarHBondContact O-N 3.25Å; D1446-T1450 PolarHBondContact O-OG1 3.28Å; L1447-T1450 PolarHBondContact O-N 3.03Å; L1447-T1450 VanDerWaalsContact O-N 3.13Å; F1448-T1450 VanDerWaalsContact C-N 3.31Å; F1448-T1450 PolarHBondContact O-N 2.9Å; T1450-D1452 VanDerWaalsContact C-N 3.33Å; T1450-D1452 PolarHBondContact O-N 3.28Å; T1450-K1453 WeakPolarHBondContact O-CB 3.36Å; T1450-K1453 PolarHBondContact O-N 3.16Å; T1450-F1454 HydrophobicContact CG2-CD2 4.17Å; T1450-F1454 HydrophobicContact CG2-CE2 3.58Å; T1450-F1454 VanDerWaalsContact CG2-CE2 3.41Å; T1450-F1454 HydrophobicContact CG2-CZ 4.02Å; T1450-F1454 VanDerWaalsContact O-CD2 3.28Å; T1450-F1454 WeakPolarHBondContact O-CD2 3.3Å; T1450-F1454 WeakPolarHBondContact O-CE2 3.42Å; T1450-F1454 PolarHBondContact O-N 3.06Å; T1450-F1454 VanDerWaalsContact O-N 3.11Å |
| 1451 | I | 76.3 | Confident | 70.2 | Confident | 8.4 Ų | 8.4 | 48.6 Ų | 48.6 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 172.4 | -65.1 | 169 | 0 | 0 | 0 | 110.6 | C1395 M1399 L1447 F1448 K1453 F1454 Y1455 F1524 | C1395-I1451 HydrophobicContact CB-CG1 4.29Å; M1399-I1451 HydrophobicContact CG-CD1 4.29Å; M1399-I1451 HydrophobicContact SD-CD1 4.15Å; L1447-I1451 HydrophobicContact CD1-CD1 3.97Å; L1447-I1451 HydrophobicContact CD1-CG1 4.45Å; L1447-I1451 HydrophobicContact CD2-CD1 3.7Å; L1447-I1451 VanDerWaalsContact CD2-CD1 3.49Å; L1447-I1451 HydrophobicContact CG-CD1 4Å; L1447-I1451 VanDerWaalsContact O-CG1 3.31Å; L1447-I1451 WeakPolarHBondContact O-CG1 3.36Å; L1447-I1451 PolarHBondContact O-N 3.05Å; F1448-I1451 HydrophobicContact CD1-CD1 4.35Å; F1448-I1451 PolarHBondContact O-N 3.04Å; I1451-K1453 VanDerWaalsContact C-N 3.27Å; I1451-K1453 PolarHBondContact O-N 3.31Å; I1451-F1454 WeakPolarHBondContact O-CB 3.3Å; I1451-F1454 PolarHBondContact O-N 3.03Å; I1451-F1454 VanDerWaalsContact O-N 3.07Å; I1451-Y1455 HydrophobicContact CG2-CD2 3.87Å; I1451-Y1455 HydrophobicContact CG2-CE2 3.72Å; I1451-Y1455 VanDerWaalsContact O-CD2 3.32Å; I1451-Y1455 WeakPolarHBondContact O-CD2 3.38Å; I1451-Y1455 PolarHBondContact O-N 2.89Å; I1451-Y1455 VanDerWaalsContact O-N 3.15Å; I1451-F1524 HydrophobicContact CB-CZ 4.44Å; I1451-F1524 HydrophobicContact CG2-CE1 4.02Å; I1451-F1524 HydrophobicContact CG2-CZ 3.86Å |
| 1452 | D | 70.4 | Confident | 68.1 | Low | 32.8 Ų | 32.8 | 55.3 Ų | 55.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 177.7 | -173.8 | 62.8 | 0 | 0 | 0 | 112.5 | F1448 N1449 T1450 Y1455 N1456 K1523 | F1448-D1452 VanDerWaalsContact O-CB 3.25Å; F1448-D1452 WeakPolarHBondContact O-CB 3.37Å; F1448-D1452 PolarHBondContact O-N 2.97Å; N1449-D1452 WeakPolarHBondContact O-CB 3.46Å; N1449-D1452 PolarHBondContact O-N 3.11Å; T1450-D1452 VanDerWaalsContact C-N 3.33Å; T1450-D1452 PolarHBondContact O-N 3.28Å; D1452-Y1455 PolarHBondContact O-N 3.03Å; D1452-N1456 PolarHBondContact O-N 2.99Å; D1452-N1456 PolarHBondContact O-ND2 3.11Å; D1452-K1523 PolarHBondContact O-NZ 3.06Å; D1452-K1523 WeakPolarHBondContact OD1-CD 3.29Å; D1452-K1523 WeakPolarHBondContact OD1-CE 3.36Å; D1452-K1523 IonicContact OD1-NZ 3.16Å; D1452-K1523 PolarHBondContact OD1-NZ 3Å; D1452-K1523 IonicContact OD2-NZ 3.43Å; D1452-K1523 PolarHBondContact OD2-NZ 3.27Å |
| 1453 | K | 71.2 | Confident | 65.8 | Low | 114 Ų | 114 | 57.9 Ų | 57.9 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 173.5 | -72.5 | 169.8 | -174.5 | 172.5 | 0 | 112.5 | N1449 T1450 I1451 Y1455 N1456 I1457 | N1449-K1453 VanDerWaalsContact O-CG 3.27Å; N1449-K1453 WeakPolarHBondContact O-CG 3.36Å; N1449-K1453 PolarHBondContact O-N 3.2Å; N1449-K1453 VanDerWaalsContact O-N 3.11Å; N1449-K1453 WeakPolarHBondContact OD1-CE 3.34Å; T1450-K1453 WeakPolarHBondContact O-CB 3.36Å; T1450-K1453 PolarHBondContact O-N 3.16Å; I1451-K1453 VanDerWaalsContact C-N 3.27Å; I1451-K1453 PolarHBondContact O-N 3.31Å; K1453-Y1455 VanDerWaalsContact C-N 3.33Å; K1453-Y1455 PolarHBondContact O-N 3.41Å; K1453-N1456 WeakPolarHBondContact O-CB 3.37Å; K1453-N1456 PolarHBondContact O-N 3.16Å; K1453-I1457 WeakPolarHBondContact O-CG1 3.35Å; K1453-I1457 PolarHBondContact O-N 3.21Å |
| 1454 | F | 66.2 | Low | 63.4 | Low | 37 Ų | 37 | 63 Ų | 63 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -41 | 174.9 | -70 | -52.1 | 0 | 0 | 0 | 112.1 | K1391 E1392 T1450 I1451 N1456 I1457 T1458 | K1391-F1454 HydrophobicContact CB-CE1 4.21Å; K1391-F1454 HydrophobicContact CB-CE2 4.21Å; K1391-F1454 HydrophobicContact CB-CZ 3.57Å; K1391-F1454 HydrophobicContact CG-CZ 4.03Å; E1392-F1454 HydrophobicContact CB-CZ 4.35Å; E1392-F1454 HydrophobicContact CG-CD1 4.11Å; E1392-F1454 HydrophobicContact CG-CD2 4.35Å; E1392-F1454 HydrophobicContact CG-CE1 3.64Å; E1392-F1454 VanDerWaalsContact CG-CE1 3.42Å; E1392-F1454 HydrophobicContact CG-CE2 3.94Å; E1392-F1454 HydrophobicContact CG-CG 4.45Å; E1392-F1454 HydrophobicContact CG-CZ 3.57Å; E1392-F1454 WeakPolarHBondContact OE1-CE1 3.2Å; T1450-F1454 HydrophobicContact CG2-CD2 4.17Å; T1450-F1454 HydrophobicContact CG2-CE2 3.58Å; T1450-F1454 VanDerWaalsContact CG2-CE2 3.41Å; T1450-F1454 HydrophobicContact CG2-CZ 4.02Å; T1450-F1454 VanDerWaalsContact O-CD2 3.28Å; T1450-F1454 WeakPolarHBondContact O-CD2 3.3Å; T1450-F1454 WeakPolarHBondContact O-CE2 3.42Å; T1450-F1454 PolarHBondContact O-N 3.06Å; T1450-F1454 VanDerWaalsContact O-N 3.11Å; I1451-F1454 WeakPolarHBondContact O-CB 3.3Å; I1451-F1454 PolarHBondContact O-N 3.03Å; I1451-F1454 VanDerWaalsContact O-N 3.07Å; F1454-N1456 VanDerWaalsContact C-N 3.3Å; F1454-N1456 PolarHBondContact O-N 3.14Å; F1454-I1457 HydrophobicContact CD1-CD1 4.41Å; F1454-I1457 WeakPolarHBondContact O-CB 3.39Å; F1454-I1457 PolarHBondContact O-N 3.31Å; F1454-I1457 VanDerWaalsContact O-N 3.16Å; F1454-T1458 PolarHBondContact O-N 3.15Å; F1454-T1458 VanDerWaalsContact O-N 3.14Å; F1454-T1458 PolarHBondContact O-OG1 3.32Å |
| 1455 | Y | 62.2 | Low | 61.2 | Low | 74.4 Ų | 74.4 | 65.6 Ų | 65.6 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 175.9 | -95.1 | -82 | 0 | 0 | 0 | 112.7 | I1451 D1452 K1453 I1457 T1458 E1459 C1479 K1523 F1524 | I1451-Y1455 HydrophobicContact CG2-CD2 3.87Å; I1451-Y1455 HydrophobicContact CG2-CE2 3.72Å; I1451-Y1455 VanDerWaalsContact O-CD2 3.32Å; I1451-Y1455 WeakPolarHBondContact O-CD2 3.38Å; I1451-Y1455 PolarHBondContact O-N 2.89Å; I1451-Y1455 VanDerWaalsContact O-N 3.15Å; D1452-Y1455 PolarHBondContact O-N 3.03Å; K1453-Y1455 VanDerWaalsContact C-N 3.33Å; K1453-Y1455 PolarHBondContact O-N 3.41Å; Y1455-I1457 VanDerWaalsContact C-N 3.29Å; Y1455-I1457 PolarHBondContact O-N 3.18Å; Y1455-T1458 WeakPolarHBondContact CA-OG1 3.42Å; Y1455-T1458 PolarHBondContact O-N 3.09Å; Y1455-T1458 PolarHBondContact O-OG1 3.14Å; Y1455-T1458 VanDerWaalsContact O-OG1 3.1Å; Y1455-E1459 PolarHBondContact O-N 3Å; Y1455-C1479 PolarHBondContact OH-SG 3Å; Y1455-K1523 HydrophobicContact CD1-CB 4.46Å; Y1455-F1524 AromaticContact CD2-CE1 3.88Å; Y1455-F1524 HydrophobicContact CD2-CE1 4.15Å; Y1455-F1524 HydrophobicContact CD2-CZ 4.03Å; Y1455-F1524 AromaticContact CE2-CE1 3.75Å; Y1455-F1524 HydrophobicContact CE2-CE1 3.81Å; Y1455-F1524 HydrophobicContact CE2-CZ 4.09Å |
| 1456 | N | 55.9 | Low | 59.1 | Low | 57.6 Ų | 57.6 | 70.5 Ų | 70.5 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 174.7 | -75.6 | -30.2 | 0 | 0 | 0 | 112.7 | D1452 K1453 F1454 T1458 E1459 D1460 K1523 | D1452-N1456 PolarHBondContact O-N 2.99Å; D1452-N1456 PolarHBondContact O-ND2 3.11Å; K1453-N1456 WeakPolarHBondContact O-CB 3.37Å; K1453-N1456 PolarHBondContact O-N 3.16Å; F1454-N1456 VanDerWaalsContact C-N 3.3Å; F1454-N1456 PolarHBondContact O-N 3.14Å; N1456-T1458 VanDerWaalsContact C-N 3.28Å; N1456-T1458 PolarHBondContact O-N 3.32Å; N1456-E1459 PolarHBondContact O-N 3.34Å; N1456-D1460 PolarHBondContact O-N 3.49Å; N1456-K1523 PolarHBondContact ND2-NZ 3.12Å; N1456-K1523 VanDerWaalsContact ND2-NZ 3.14Å; N1456-K1523 VanDerWaalsContact OD1-CE 3.25Å; N1456-K1523 WeakPolarHBondContact OD1-CE 3.31Å; N1456-K1523 PolarHBondContact OD1-NZ 3.16Å |
| 1457 | I | 53.9 | Low | 56.8 | Low | 84.6 Ų | 84.6 | 72.1 Ų | 72.1 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -71.8 | -34 | -178.8 | -62.7 | 165.2 | 0 | 0 | 0 | 110.5 | K1453 F1454 Y1455 E1459 D1460 L1463 L1467 | K1453-I1457 WeakPolarHBondContact O-CG1 3.35Å; K1453-I1457 PolarHBondContact O-N 3.21Å; F1454-I1457 HydrophobicContact CD1-CD1 4.41Å; F1454-I1457 WeakPolarHBondContact O-CB 3.39Å; F1454-I1457 PolarHBondContact O-N 3.31Å; F1454-I1457 VanDerWaalsContact O-N 3.16Å; Y1455-I1457 VanDerWaalsContact C-N 3.29Å; Y1455-I1457 PolarHBondContact O-N 3.18Å; I1457-E1459 PolarHBondContact O-N 2.88Å; I1457-D1460 WeakPolarHBondContact O-CA 3.48Å; I1457-D1460 VanDerWaalsContact O-CB 3.29Å; I1457-D1460 WeakPolarHBondContact O-CB 3.4Å; I1457-D1460 PolarHBondContact O-N 3.32Å; I1457-L1463 HydrophobicContact CG2-CD1 3.84Å; I1457-L1467 HydrophobicContact CG2-CD1 3.71Å |
| 1458 | T | 47.7 | Very low | 54.5 | Low | 55.8 Ų | 55.8 | 75.8 Ų | 75.8 | 34% | 0.342 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.8 | -28.2 | -179.7 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | F1454 Y1455 N1456 D1460 L1467 L1475 | F1454-T1458 PolarHBondContact O-N 3.15Å; F1454-T1458 VanDerWaalsContact O-N 3.14Å; F1454-T1458 PolarHBondContact O-OG1 3.32Å; Y1455-T1458 WeakPolarHBondContact CA-OG1 3.42Å; Y1455-T1458 PolarHBondContact O-N 3.09Å; Y1455-T1458 PolarHBondContact O-OG1 3.14Å; Y1455-T1458 VanDerWaalsContact O-OG1 3.1Å; N1456-T1458 VanDerWaalsContact C-N 3.28Å; N1456-T1458 PolarHBondContact O-N 3.32Å; T1458-D1460 PolarHBondContact O-N 3.38Å; T1458-L1467 HydrophobicContact CG2-CD1 3.46Å; T1458-L1467 VanDerWaalsContact CG2-CD1 3.46Å; T1458-L1467 HydrophobicContact CG2-CD2 4.16Å; T1458-L1475 HydrophobicContact CG2-CD1 4.1Å |
| 1459 | E | 44.8 | Very low | 52.6 | Low | 150.2 Ų | 150.2 | 83.6 Ų | 83.6 | 70% | 0.702 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -72.3 | -26.3 | 173.1 | -73.3 | -169.6 | 161.8 | 0 | 0 | 112.5 | Y1455 N1456 I1457 R1461 | Y1455-E1459 PolarHBondContact O-N 3Å; N1456-E1459 PolarHBondContact O-N 3.34Å; I1457-E1459 PolarHBondContact O-N 2.88Å; E1459-R1461 VanDerWaalsContact C-N 3.27Å; E1459-R1461 PolarHBondContact O-N 3.12Å; E1459-R1461 VanDerWaalsContact O-N 3.11Å |
| 1460 | D | 43.4 | Very low | 50.6 | Low | 97.2 Ų | 97.2 | 84.4 Ų | 84.4 | 52% | 0.52 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -79.9 | 47.2 | 179.3 | -103.7 | -13.7 | 0 | 0 | 0 | 112.2 | N1456 I1457 T1458 N1462 K2046 | N1456-D1460 PolarHBondContact O-N 3.49Å; I1457-D1460 WeakPolarHBondContact O-CA 3.48Å; I1457-D1460 VanDerWaalsContact O-CB 3.29Å; I1457-D1460 WeakPolarHBondContact O-CB 3.4Å; I1457-D1460 PolarHBondContact O-N 3.32Å; T1458-D1460 PolarHBondContact O-N 3.38Å; D1460-N1462 PolarHBondContact O-N 3.03Å; D1460-K2046 IonicContact OD1-NZ 2.72Å; D1460-K2046 PolarHBondContact OD1-NZ 3.42Å; D1460-K2046 IonicContact OD2-NZ 3.46Å; D1460-K2046 PolarHBondContact OD2-NZ 3.08Å |
| 1461 | R | 39.5 | Very low | 48.7 | Very low | 164.2 Ų | 164.2 | 86.9 Ų | 86.9 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 84.5 | -179 | -69.1 | -175.4 | -175.4 | -158.9 | 1.6 | 114.3 | E1459 L1463 N1464 I1466 | E1459-R1461 VanDerWaalsContact C-N 3.27Å; E1459-R1461 PolarHBondContact O-N 3.12Å; E1459-R1461 VanDerWaalsContact O-N 3.11Å; R1461-L1463 HydrophobicContact CB-CB 4.16Å; R1461-L1463 HydrophobicContact CB-CD1 3.52Å; R1461-L1463 HydrophobicContact CB-CG 3.71Å; R1461-L1463 HydrophobicContact CG-CD1 4.07Å; R1461-L1463 PolarHBondContact O-N 3.24Å; R1461-N1464 VanDerWaalsContact O-CG 3.26Å; R1461-N1464 PolarHBondContact O-ND2 3.4Å; R1461-N1464 PolarHBondContact O-OD1 3Å; R1461-I1466 HydrophobicContact CB-CD1 4.12Å |
| 1462 | N | 41.3 | Very low | 46.8 | Very low | 143.8 Ų | 143.8 | 94.5 Ų | 94.5 | 77% | 0.769 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 23.7 | 165.8 | -79.6 | -18.9 | 0 | 0 | 0 | 113.1 | D1460 N1464 G1465 | D1460-N1462 PolarHBondContact O-N 3.03Å; N1462-N1464 VanDerWaalsContact C-N 3.34Å; N1462-N1464 PolarHBondContact O-N 3.22Å; N1462-G1465 PolarHBondContact O-N 3.06Å |
| 1463 | L | 37.9 | Very low | 45.4 | Very low | 92.2 Ų | 92.2 | 95.9 Ų | 95.9 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | trans | -85.7 | 31.9 | 175.5 | -79.4 | 160.4 | 0 | 0 | 0 | 112 | I1457 R1461 G1465 I1466 L1467 | I1457-L1463 HydrophobicContact CG2-CD1 3.84Å; R1461-L1463 HydrophobicContact CB-CB 4.16Å; R1461-L1463 HydrophobicContact CB-CD1 3.52Å; R1461-L1463 HydrophobicContact CB-CG 3.71Å; R1461-L1463 HydrophobicContact CG-CD1 4.07Å; R1461-L1463 PolarHBondContact O-N 3.24Å; L1463-G1465 VanDerWaalsContact C-N 3.3Å; L1463-G1465 PolarHBondContact O-N 3.1Å; L1463-G1465 VanDerWaalsContact O-N 3.11Å; L1463-I1466 HydrophobicContact CB-CB 4.18Å; L1463-I1466 HydrophobicContact CB-CG1 4.42Å; L1463-I1466 HydrophobicContact CD1-CD1 3.88Å; L1463-I1466 HydrophobicContact CD2-CB 4.07Å; L1463-I1466 HydrophobicContact CD2-CD1 3.66Å; L1463-I1466 VanDerWaalsContact CD2-CD1 3.47Å; L1463-I1466 HydrophobicContact CD2-CG1 3.81Å; L1463-I1466 HydrophobicContact CG-CD1 4.35Å; L1463-I1466 PolarHBondContact O-N 3.16Å; L1463-L1467 HydrophobicContact CB-CD1 4.29Å; L1463-L1467 HydrophobicContact CD2-CD1 3.35Å; L1463-L1467 HydrophobicContact CG-CD1 4.42Å; L1463-L1467 VanDerWaalsContact O-CB 3.28Å; L1463-L1467 WeakPolarHBondContact O-CB 3.37Å; L1463-L1467 PolarHBondContact O-N 3.17Å; L1463-L1467 VanDerWaalsContact O-N 3.13Å | ||
| 1464 | N | 37.4 | Very low | 44.1 | Very low | 107.6 Ų | 107.6 | 95.8 Ų | 95.8 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.2 | -17.8 | 178.8 | -77.1 | -18.3 | 0 | 0 | 0 | 114.4 | R1461 N1462 I1466 T1468 K2160 | R1461-N1464 VanDerWaalsContact O-CG 3.26Å; R1461-N1464 PolarHBondContact O-ND2 3.4Å; R1461-N1464 PolarHBondContact O-OD1 3Å; N1462-N1464 VanDerWaalsContact C-N 3.34Å; N1462-N1464 PolarHBondContact O-N 3.22Å; N1464-I1466 PolarHBondContact O-N 3.15Å; N1464-T1468 HydrophobicContact CB-CG2 4.13Å; N1464-T1468 VanDerWaalsContact O-CB 3.24Å; N1464-T1468 WeakPolarHBondContact O-CB 3.31Å; N1464-T1468 WeakPolarHBondContact O-CG2 3.34Å; N1464-T1468 PolarHBondContact O-N 3.09Å; N1464-T1468 PolarHBondContact O-OG1 3.06Å; N1464-T1468 VanDerWaalsContact O-OG1 3.06Å; N1464-K2160 PolarHBondContact OD1-NZ 3.39Å |
| 1465 | G | 40.7 | Very low | 42.9 | Very low | 55.4 Ų | 55.4 | 96.3 Ų | 96.3 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -82.6 | -35.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1462 L1463 T1468 | N1462-G1465 PolarHBondContact O-N 3.06Å; L1463-G1465 VanDerWaalsContact C-N 3.3Å; L1463-G1465 PolarHBondContact O-N 3.1Å; L1463-G1465 VanDerWaalsContact O-N 3.11Å; G1465-T1468 PolarHBondContact O-OG1 3.16Å |
| 1466 | I | 40.7 | Very low | 41.9 | Very low | 109 Ų | 109 | 102.8 Ų | 102.8 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -96.7 | -38 | -176.7 | -60.8 | -179.4 | 0 | 0 | 0 | 110.2 | R1461 L1463 N1464 T1468 K1469 Y1470 | R1461-I1466 HydrophobicContact CB-CD1 4.12Å; L1463-I1466 HydrophobicContact CB-CB 4.18Å; L1463-I1466 HydrophobicContact CB-CG1 4.42Å; L1463-I1466 HydrophobicContact CD1-CD1 3.88Å; L1463-I1466 HydrophobicContact CD2-CB 4.07Å; L1463-I1466 HydrophobicContact CD2-CD1 3.66Å; L1463-I1466 VanDerWaalsContact CD2-CD1 3.47Å; L1463-I1466 HydrophobicContact CD2-CG1 3.81Å; L1463-I1466 HydrophobicContact CG-CD1 4.35Å; L1463-I1466 PolarHBondContact O-N 3.16Å; N1464-I1466 PolarHBondContact O-N 3.15Å; I1466-T1468 VanDerWaalsContact C-N 3.3Å; I1466-T1468 PolarHBondContact O-N 2.97Å; I1466-K1469 WeakPolarHBondContact O-CA 3.4Å; I1466-K1469 WeakPolarHBondContact O-CB 3.25Å; I1466-K1469 PolarHBondContact O-N 3.1Å; I1466-Y1470 HydrophobicContact CG2-CD2 3.43Å; I1466-Y1470 VanDerWaalsContact CG2-CD2 3.43Å; I1466-Y1470 HydrophobicContact CG2-CE2 3.46Å; I1466-Y1470 VanDerWaalsContact CG2-CE2 3.46Å; I1466-Y1470 HydrophobicContact CG2-CG 4.33Å; I1466-Y1470 WeakPolarHBondContact O-CB 2.85Å; I1466-Y1470 VanDerWaalsContact O-CD2 3.27Å; I1466-Y1470 WeakPolarHBondContact O-CD2 3.27Å; I1466-Y1470 PolarHBondContact O-N 3.18Å |
| 1467 | L | 34.9 | Very low | 41.5 | Very low | 67.2 Ų | 67.2 | 105 Ų | 105 | 35% | 0.352 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.6 | -26.8 | 179.4 | -94.2 | 134.5 | 0 | 0 | 0 | 114.1 | I1457 T1458 L1463 K1469 Y1470 S1471 | I1457-L1467 HydrophobicContact CG2-CD1 3.71Å; T1458-L1467 HydrophobicContact CG2-CD1 3.46Å; T1458-L1467 VanDerWaalsContact CG2-CD1 3.46Å; T1458-L1467 HydrophobicContact CG2-CD2 4.16Å; L1463-L1467 HydrophobicContact CB-CD1 4.29Å; L1463-L1467 HydrophobicContact CD2-CD1 3.35Å; L1463-L1467 HydrophobicContact CG-CD1 4.42Å; L1463-L1467 VanDerWaalsContact O-CB 3.28Å; L1463-L1467 WeakPolarHBondContact O-CB 3.37Å; L1463-L1467 PolarHBondContact O-N 3.17Å; L1463-L1467 VanDerWaalsContact O-N 3.13Å; L1467-K1469 VanDerWaalsContact C-N 3.3Å; L1467-K1469 PolarHBondContact O-N 3.09Å; L1467-Y1470 CarbonylContact O-C 3.38Å; L1467-Y1470 VanDerWaalsContact O-C 3.28Å; L1467-Y1470 WeakPolarHBondContact O-CA 3.39Å; L1467-Y1470 VanDerWaalsContact O-CB 3.3Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.41Å; L1467-Y1470 PolarHBondContact O-N 3.21Å; L1467-S1471 WeakPolarHBondContact O-CA 3.42Å; L1467-S1471 WeakPolarHBondContact O-CB 3.37Å; L1467-S1471 PolarHBondContact O-N 3.29Å; L1467-S1471 PolarHBondContact O-OG 3.18Å |
| 1468 | T | 39.4 | Very low | 41.3 | Very low | 79.4 Ų | 79.4 | 103.2 Ų | 103.2 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -32.6 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | N1464 G1465 I1466 Y1470 S1471 | N1464-T1468 HydrophobicContact CB-CG2 4.13Å; N1464-T1468 VanDerWaalsContact O-CB 3.24Å; N1464-T1468 WeakPolarHBondContact O-CB 3.31Å; N1464-T1468 WeakPolarHBondContact O-CG2 3.34Å; N1464-T1468 PolarHBondContact O-N 3.09Å; N1464-T1468 PolarHBondContact O-OG1 3.06Å; N1464-T1468 VanDerWaalsContact O-OG1 3.06Å; G1465-T1468 PolarHBondContact O-OG1 3.16Å; I1466-T1468 VanDerWaalsContact C-N 3.3Å; I1466-T1468 PolarHBondContact O-N 2.97Å; T1468-Y1470 VanDerWaalsContact C-N 3.26Å; T1468-Y1470 PolarHBondContact O-N 3.27Å; T1468-S1471 WeakPolarHBondContact CA-OG 3.2Å; T1468-S1471 PolarHBondContact O-N 3.28Å; T1468-S1471 PolarHBondContact O-OG 2.97Å; T1468-S1471 VanDerWaalsContact O-OG 3.12Å |
| 1469 | K | 42.1 | Very low | 41.6 | Very low | 162.2 Ų | 162.2 | 101.8 Ų | 101.8 | 71% | 0.705 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.3 | -25.6 | 170 | -80.6 | -176.2 | 174.8 | -179.8 | 0 | 113.2 | V1328 I1466 L1467 | V1328-K1469 HydrophobicContact CG2-CG 4.48Å; I1466-K1469 WeakPolarHBondContact O-CA 3.4Å; I1466-K1469 WeakPolarHBondContact O-CB 3.25Å; I1466-K1469 PolarHBondContact O-N 3.1Å; L1467-K1469 VanDerWaalsContact C-N 3.3Å; L1467-K1469 PolarHBondContact O-N 3.09Å |
| 1470 | Y | 38.3 | Very low | 42.5 | Very low | 64.8 Ų | 64.8 | 97.1 Ų | 97.1 | 25% | 0.254 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -96.9 | -14.2 | -179.6 | -101.8 | -89.3 | 0 | 0 | 0 | 112.6 | E1392 Y1393 I1466 L1467 T1468 E1472 S1473 Q1474 L1475 | E1392-Y1470 HydrophobicContact CB-CE1 4.47Å; Y1393-Y1470 HydrophobicContact CE1-CE1 4.15Å; Y1393-Y1470 AromaticContact CE1-CZ 3.79Å; Y1393-Y1470 WeakPolarHBondContact CE1-OH 3.3Å; Y1393-Y1470 AromaticContact CZ-CZ 3.91Å; Y1393-Y1470 VanDerWaalsContact CZ-OH 3.23Å; Y1393-Y1470 PolarHBondContact OH-OH 3.36Å; I1466-Y1470 HydrophobicContact CG2-CD2 3.43Å; I1466-Y1470 VanDerWaalsContact CG2-CD2 3.43Å; I1466-Y1470 HydrophobicContact CG2-CE2 3.46Å; I1466-Y1470 VanDerWaalsContact CG2-CE2 3.46Å; I1466-Y1470 HydrophobicContact CG2-CG 4.33Å; I1466-Y1470 WeakPolarHBondContact O-CB 2.85Å; I1466-Y1470 VanDerWaalsContact O-CD2 3.27Å; I1466-Y1470 WeakPolarHBondContact O-CD2 3.27Å; I1466-Y1470 PolarHBondContact O-N 3.18Å; L1467-Y1470 CarbonylContact O-C 3.38Å; L1467-Y1470 VanDerWaalsContact O-C 3.28Å; L1467-Y1470 WeakPolarHBondContact O-CA 3.39Å; L1467-Y1470 VanDerWaalsContact O-CB 3.3Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.41Å; L1467-Y1470 PolarHBondContact O-N 3.21Å; T1468-Y1470 VanDerWaalsContact C-N 3.26Å; T1468-Y1470 PolarHBondContact O-N 3.27Å; Y1470-E1472 PolarHBondContact O-N 3.35Å; Y1470-S1473 WeakPolarHBondContact CD1-OG 3.04Å; Y1470-S1473 PolarHBondContact O-N 3.42Å; Y1470-S1473 PolarHBondContact O-OG 2.71Å; Y1470-Q1474 HydrophobicContact CD1-CB 4.28Å; Y1470-Q1474 HydrophobicContact CE1-CB 4.22Å; Y1470-Q1474 VanDerWaalsContact CZ-OE1 3.31Å; Y1470-Q1474 PolarHBondContact O-N 3.36Å; Y1470-Q1474 VanDerWaalsContact O-N 3.12Å; Y1470-Q1474 PolarHBondContact OH-OE1 2.71Å; Y1470-L1475 HydrophobicContact CD1-CD1 4.1Å; Y1470-L1475 HydrophobicContact CE1-CD1 3.83Å |
| 1471 | S | 37.9 | Very low | 43.8 | Very low | 66.2 Ų | 66.2 | 96.5 Ų | 96.5 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -20.7 | -178.1 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | L1467 T1468 S1473 Q1474 | L1467-S1471 WeakPolarHBondContact O-CA 3.42Å; L1467-S1471 WeakPolarHBondContact O-CB 3.37Å; L1467-S1471 PolarHBondContact O-N 3.29Å; L1467-S1471 PolarHBondContact O-OG 3.18Å; T1468-S1471 WeakPolarHBondContact CA-OG 3.2Å; T1468-S1471 PolarHBondContact O-N 3.28Å; T1468-S1471 PolarHBondContact O-OG 2.97Å; T1468-S1471 VanDerWaalsContact O-OG 3.12Å; S1471-S1473 PolarHBondContact O-N 3.28Å; S1471-S1473 PolarHBondContact OG-OG 2.99Å; S1471-Q1474 PolarHBondContact O-N 2.93Å |
| 1472 | E | 37.2 | Very low | 45.6 | Very low | 169.4 Ų | 169.4 | 93.4 Ų | 93.4 | 79% | 0.792 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.1 | 179.2 | -72.6 | -175 | 156.2 | 0 | 0 | 113.7 | Y1470 Q1474 R1476 | Y1470-E1472 PolarHBondContact O-N 3.35Å; E1472-Q1474 PolarHBondContact O-N 3.48Å; E1472-R1476 WeakPolarHBondContact O-CB 3.06Å; E1472-R1476 PolarHBondContact O-N 3.45Å |
| 1473 | S | 41.5 | Very low | 47.4 | Very low | 61.6 Ų | 61.6 | 86.6 Ų | 86.6 | 43% | 0.431 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.6 | 179 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | Y1470 S1471 L1475 N1477 | Y1470-S1473 WeakPolarHBondContact CD1-OG 3.04Å; Y1470-S1473 PolarHBondContact O-N 3.42Å; Y1470-S1473 PolarHBondContact O-OG 2.71Å; S1471-S1473 PolarHBondContact O-N 3.28Å; S1471-S1473 PolarHBondContact OG-OG 2.99Å; S1473-L1475 PolarHBondContact O-N 3.21Å; S1473-N1477 PolarHBondContact O-N 3.04Å; S1473-N1477 PolarHBondContact O-ND2 3.39Å; S1473-N1477 PolarHBondContact O-OD1 3.49Å |
| 1474 | Q | 42.2 | Very low | 49.4 | Very low | 112 Ų | 112 | 82.2 Ų | 82.2 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -22.1 | 179.8 | -66.5 | -168.4 | -19 | 0 | 0 | 115.6 | Y1470 S1471 E1472 R1476 N1477 I1478 | Y1470-Q1474 HydrophobicContact CD1-CB 4.28Å; Y1470-Q1474 HydrophobicContact CE1-CB 4.22Å; Y1470-Q1474 VanDerWaalsContact CZ-OE1 3.31Å; Y1470-Q1474 PolarHBondContact O-N 3.36Å; Y1470-Q1474 VanDerWaalsContact O-N 3.12Å; Y1470-Q1474 PolarHBondContact OH-OE1 2.71Å; S1471-Q1474 PolarHBondContact O-N 2.93Å; E1472-Q1474 PolarHBondContact O-N 3.48Å; Q1474-R1476 VanDerWaalsContact C-N 3.31Å; Q1474-R1476 PolarHBondContact O-N 3.26Å; Q1474-R1476 VanDerWaalsContact O-N 3.11Å; Q1474-N1477 HydrophobicContact CB-CB 4.38Å; Q1474-N1477 VanDerWaalsContact CB-ND2 3.29Å; Q1474-N1477 WeakPolarHBondContact CB-ND2 3.42Å; Q1474-N1477 WeakPolarHBondContact CG-ND2 3.35Å; Q1474-N1477 CarbonylContact O-C 3.42Å; Q1474-N1477 VanDerWaalsContact O-CA 3.27Å; Q1474-N1477 WeakPolarHBondContact O-CA 3.37Å; Q1474-N1477 WeakPolarHBondContact O-CB 3.39Å; Q1474-N1477 PolarHBondContact O-N 3.08Å; Q1474-N1477 PolarHBondContact OE1-ND2 3.08Å; Q1474-N1477 VanDerWaalsContact OE1-ND2 3.17Å; Q1474-I1478 WeakPolarHBondContact O-CG1 3.32Å; Q1474-I1478 PolarHBondContact O-N 2.97Å; Q1474-I1478 VanDerWaalsContact O-N 3.09Å |
| 1475 | L | 41 | Very low | 51.4 | Low | 47.6 Ų | 47.6 | 80.8 Ų | 80.8 | 25% | 0.249 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.6 | -11.7 | 177.8 | -87.3 | 162.6 | 0 | 0 | 0 | 113.3 | T1458 Y1470 S1473 N1477 I1478 | T1458-L1475 HydrophobicContact CG2-CD1 4.1Å; Y1470-L1475 HydrophobicContact CD1-CD1 4.1Å; Y1470-L1475 HydrophobicContact CE1-CD1 3.83Å; S1473-L1475 PolarHBondContact O-N 3.21Å; L1475-N1477 VanDerWaalsContact C-N 3.29Å; L1475-N1477 PolarHBondContact O-N 2.99Å; L1475-I1478 HydrophobicContact CB-CD1 4.4Å; L1475-I1478 HydrophobicContact CD2-CD1 3.86Å; L1475-I1478 HydrophobicContact CG-CD1 3.94Å; L1475-I1478 PolarHBondContact O-N 2.93Å |
| 1476 | R | 43.1 | Very low | 53.4 | Low | 210 Ų | 210 | 79.1 Ų | 79.1 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -78 | -15.9 | 170.9 | -93.6 | -176.5 | 176.7 | -163.8 | -1.8 | 113.4 | E1472 Q1474 I1478 | E1472-R1476 WeakPolarHBondContact O-CB 3.06Å; E1472-R1476 PolarHBondContact O-N 3.45Å; Q1474-R1476 VanDerWaalsContact C-N 3.31Å; Q1474-R1476 PolarHBondContact O-N 3.26Å; Q1474-R1476 VanDerWaalsContact O-N 3.11Å; R1476-I1478 PolarHBondContact O-N 3.38Å |
| 1477 | N | 47.5 | Very low | 55.5 | Low | 104.4 Ų | 104.4 | 73.9 Ų | 73.9 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -85.3 | -4.1 | -178.5 | -72.3 | -4.7 | 0 | 0 | 0 | 113 | S1473 Q1474 L1475 C1479 D1480 | S1473-N1477 PolarHBondContact O-N 3.04Å; S1473-N1477 PolarHBondContact O-ND2 3.39Å; S1473-N1477 PolarHBondContact O-OD1 3.49Å; Q1474-N1477 HydrophobicContact CB-CB 4.38Å; Q1474-N1477 VanDerWaalsContact CB-ND2 3.29Å; Q1474-N1477 WeakPolarHBondContact CB-ND2 3.42Å; Q1474-N1477 WeakPolarHBondContact CG-ND2 3.35Å; Q1474-N1477 CarbonylContact O-C 3.42Å; Q1474-N1477 VanDerWaalsContact O-CA 3.27Å; Q1474-N1477 WeakPolarHBondContact O-CA 3.37Å; Q1474-N1477 WeakPolarHBondContact O-CB 3.39Å; Q1474-N1477 PolarHBondContact O-N 3.08Å; Q1474-N1477 PolarHBondContact OE1-ND2 3.08Å; Q1474-N1477 VanDerWaalsContact OE1-ND2 3.17Å; L1475-N1477 VanDerWaalsContact C-N 3.29Å; L1475-N1477 PolarHBondContact O-N 2.99Å; N1477-C1479 VanDerWaalsContact C-N 3.29Å; N1477-C1479 WeakPolarHBondContact O-CA 3.4Å; N1477-C1479 PolarHBondContact O-N 3.35Å; N1477-D1480 PolarHBondContact O-N 3.03Å; N1477-D1480 VanDerWaalsContact O-N 3.13Å |
| 1478 | I | 48.7 | Very low | 57.8 | Low | 46 Ų | 46 | 71.1 Ų | 71.1 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -50.1 | -33.8 | 173.7 | -54.6 | -175.8 | 0 | 0 | 0 | 112.6 | D1396 M1399 Q1474 L1475 R1476 D1480 F1481 K1482 | D1396-I1478 WeakPolarHBondContact OD1-CB 3.36Å; D1396-I1478 VanDerWaalsContact OD1-CD1 3.26Å; D1396-I1478 WeakPolarHBondContact OD1-CD1 3.37Å; D1396-I1478 WeakPolarHBondContact OD1-CG1 3.4Å; D1396-I1478 WeakPolarHBondContact OD1-CG2 3.42Å; M1399-I1478 HydrophobicContact CG-CG2 4.42Å; M1399-I1478 WeakPolarHBondContact CG-O 3.21Å; Q1474-I1478 WeakPolarHBondContact O-CG1 3.32Å; Q1474-I1478 PolarHBondContact O-N 2.97Å; Q1474-I1478 VanDerWaalsContact O-N 3.09Å; L1475-I1478 HydrophobicContact CB-CD1 4.4Å; L1475-I1478 HydrophobicContact CD2-CD1 3.86Å; L1475-I1478 HydrophobicContact CG-CD1 3.94Å; L1475-I1478 PolarHBondContact O-N 2.93Å; R1476-I1478 PolarHBondContact O-N 3.38Å; I1478-D1480 VanDerWaalsContact C-N 3.26Å; I1478-D1480 PolarHBondContact O-N 3.12Å; I1478-D1480 VanDerWaalsContact O-N 3.14Å; I1478-F1481 PolarHBondContact O-N 3.33Å; I1478-K1482 PolarHBondContact O-N 3.4Å |
| 1479 | C | 54.3 | Low | 59.9 | Low | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -90 | 55 | -179.9 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | Y1455 N1477 F1481 K1482 V1483 Y1484 I1527 | Y1455-C1479 PolarHBondContact OH-SG 3Å; N1477-C1479 VanDerWaalsContact C-N 3.29Å; N1477-C1479 WeakPolarHBondContact O-CA 3.4Å; N1477-C1479 PolarHBondContact O-N 3.35Å; C1479-F1481 PolarHBondContact O-N 3.02Å; C1479-F1481 VanDerWaalsContact O-N 3.07Å; C1479-K1482 PolarHBondContact O-N 3.47Å; C1479-V1483 WeakPolarHBondContact O-CG2 3.45Å; C1479-V1483 PolarHBondContact O-N 3.48Å; C1479-Y1484 HydrophobicContact CB-CE2 4.21Å; C1479-I1527 HydrophobicContact CB-CD1 3.92Å | ||
| 1480 | D | 64.3 | Low | 61.9 | Low | 51.6 Ų | 51.6 | 63.5 Ų | 63.5 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | trans | -63.6 | 101.2 | 170.8 | -147.6 | -14.6 | 0 | 0 | 0 | 109.4 | N1477 I1478 K1482 V1483 Y1484 | N1477-D1480 PolarHBondContact O-N 3.03Å; N1477-D1480 VanDerWaalsContact O-N 3.13Å; I1478-D1480 VanDerWaalsContact C-N 3.26Å; I1478-D1480 PolarHBondContact O-N 3.12Å; I1478-D1480 VanDerWaalsContact O-N 3.14Å; D1480-K1482 VanDerWaalsContact C-N 3.32Å; D1480-K1482 PolarHBondContact O-N 3.17Å; D1480-K1482 VanDerWaalsContact O-N 3.07Å; D1480-K1482 WeakPolarHBondContact OD1-CB 3.37Å; D1480-K1482 WeakPolarHBondContact OD1-CG 2.82Å; D1480-K1482 PolarHBondContact OD1-N 3.34Å; D1480-V1483 HydrophobicContact CB-CG2 4.26Å; D1480-V1483 WeakPolarHBondContact O-CB 3.47Å; D1480-V1483 PolarHBondContact O-N 3.23Å; D1480-V1483 VanDerWaalsContact O-N 3.12Å; D1480-Y1484 WeakPolarHBondContact O-CD2 3.3Å; D1480-Y1484 PolarHBondContact O-N 2.91Å | ||
| 1481 | F | 70.7 | Confident | 64.2 | Low | 84.2 Ų | 84.2 | 60.4 Ų | 60.4 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.4 | -32.8 | -176.5 | -70.2 | -77.3 | 0 | 0 | 0 | 112.6 | I1478 C1479 V1483 Y1484 E1485 I1527 I1530 L1531 | I1478-F1481 PolarHBondContact O-N 3.33Å; C1479-F1481 PolarHBondContact O-N 3.02Å; C1479-F1481 VanDerWaalsContact O-N 3.07Å; F1481-V1483 VanDerWaalsContact C-N 3.3Å; F1481-V1483 PolarHBondContact O-N 3.25Å; F1481-Y1484 PolarHBondContact O-N 3.25Å; F1481-E1485 PolarHBondContact O-N 3.18Å; F1481-E1485 VanDerWaalsContact O-N 3.09Å; F1481-I1527 HydrophobicContact CD1-CG2 4.06Å; F1481-I1527 HydrophobicContact CE1-CB 4.38Å; F1481-I1527 HydrophobicContact CE1-CG1 4.16Å; F1481-I1527 HydrophobicContact CE1-CG2 4.27Å; F1481-I1530 HydrophobicContact CD1-CB 4.43Å; F1481-I1530 HydrophobicContact CD1-CG2 4.03Å; F1481-I1530 HydrophobicContact CE1-CB 4.05Å; F1481-I1530 HydrophobicContact CE1-CD1 3.65Å; F1481-I1530 HydrophobicContact CE1-CG1 4.44Å; F1481-I1530 HydrophobicContact CE1-CG2 3.84Å; F1481-I1530 HydrophobicContact CZ-CD1 3.77Å; F1481-I1530 HydrophobicContact CZ-CG2 4.32Å; F1481-L1531 HydrophobicContact CB-CD2 4.32Å; F1481-L1531 HydrophobicContact CD1-CG 4.47Å; F1481-L1531 WeakPolarHBondContact O-CD2 3.29Å |
| 1482 | K | 76 | Confident | 66.4 | Low | 100 Ų | 100 | 57.5 Ų | 57.5 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 178.2 | -66.7 | 179.7 | -180 | 175.7 | 0 | 112.9 | I1478 C1479 D1480 Y1484 E1485 F1486 | I1478-K1482 PolarHBondContact O-N 3.4Å; C1479-K1482 PolarHBondContact O-N 3.47Å; D1480-K1482 VanDerWaalsContact C-N 3.32Å; D1480-K1482 PolarHBondContact O-N 3.17Å; D1480-K1482 VanDerWaalsContact O-N 3.07Å; D1480-K1482 WeakPolarHBondContact OD1-CB 3.37Å; D1480-K1482 WeakPolarHBondContact OD1-CG 2.82Å; D1480-K1482 PolarHBondContact OD1-N 3.34Å; K1482-Y1484 VanDerWaalsContact C-N 3.34Å; K1482-Y1484 PolarHBondContact O-N 2.9Å; K1482-E1485 WeakPolarHBondContact O-CB 3.29Å; K1482-E1485 PolarHBondContact O-N 3.29Å; K1482-F1486 HydrophobicContact CB-CE2 4.17Å; K1482-F1486 HydrophobicContact CB-CZ 4.22Å; K1482-F1486 WeakPolarHBondContact O-CB 3.26Å; K1482-F1486 WeakPolarHBondContact O-CD1 3.22Å; K1482-F1486 WeakPolarHBondContact O-CD2 3.38Å; K1482-F1486 WeakPolarHBondContact O-CG 3.36Å; K1482-F1486 PolarHBondContact O-N 3.34Å |
| 1483 | V | 80.5 | Confident | 68.6 | Low | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | M1399 I1402 G1403 F1448 C1479 D1480 F1481 E1485 F1486 C1487 | M1399-V1483 HydrophobicContact CB-CG2 4.46Å; M1399-V1483 HydrophobicContact CE-CB 3.7Å; M1399-V1483 HydrophobicContact CE-CG1 3.71Å; M1399-V1483 HydrophobicContact CE-CG2 3.95Å; M1399-V1483 VanDerWaalsContact O-CG2 3.29Å; M1399-V1483 WeakPolarHBondContact O-CG2 3.47Å; M1399-V1483 HydrophobicContact SD-CB 4.31Å; M1399-V1483 HydrophobicContact SD-CG1 3.74Å; M1399-V1483 HydrophobicContact SD-CG2 4.25Å; I1402-V1483 HydrophobicContact CB-CG1 4.17Å; I1402-V1483 HydrophobicContact CB-CG2 4.23Å; I1402-V1483 HydrophobicContact CG2-CB 4.4Å; I1402-V1483 HydrophobicContact CG2-CG1 3.71Å; I1402-V1483 HydrophobicContact CG2-CG2 4.28Å; G1403-V1483 VanDerWaalsContact CA-CG2 3.5Å; F1448-V1483 HydrophobicContact CZ-CG1 4.34Å; C1479-V1483 WeakPolarHBondContact O-CG2 3.45Å; C1479-V1483 PolarHBondContact O-N 3.48Å; D1480-V1483 HydrophobicContact CB-CG2 4.26Å; D1480-V1483 WeakPolarHBondContact O-CB 3.47Å; D1480-V1483 PolarHBondContact O-N 3.23Å; D1480-V1483 VanDerWaalsContact O-N 3.12Å; F1481-V1483 VanDerWaalsContact C-N 3.3Å; F1481-V1483 PolarHBondContact O-N 3.25Å; V1483-E1485 VanDerWaalsContact C-N 3.35Å; V1483-F1486 PolarHBondContact O-N 3.05Å; V1483-C1487 WeakPolarHBondContact O-CB 3.3Å; V1483-C1487 PolarHBondContact O-N 3.17Å; V1483-C1487 PolarHBondContact O-SG 3.27Å |
| 1484 | Y | 79.7 | Confident | 70.6 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 177.2 | -72.8 | -94.9 | 0 | 0 | 0 | 111 | M1399 F1448 C1479 D1480 F1481 K1482 F1486 C1487 F1488 L1519 F1524 I1527 L1531 | M1399-Y1484 HydrophobicContact CE-CD2 4.3Å; M1399-Y1484 HydrophobicContact CE-CE2 3.86Å; F1448-Y1484 HydrophobicContact CD1-CE1 4.42Å; F1448-Y1484 HydrophobicContact CE1-CD1 4.41Å; F1448-Y1484 AromaticContact CE1-CE1 3.87Å; F1448-Y1484 HydrophobicContact CE1-CE1 3.87Å; F1448-Y1484 HydrophobicContact CE1-CE2 4.13Å; F1448-Y1484 AromaticContact CE1-CZ 3.87Å; C1479-Y1484 HydrophobicContact CB-CE2 4.21Å; D1480-Y1484 WeakPolarHBondContact O-CD2 3.3Å; D1480-Y1484 PolarHBondContact O-N 2.91Å; F1481-Y1484 PolarHBondContact O-N 3.25Å; K1482-Y1484 VanDerWaalsContact C-N 3.34Å; K1482-Y1484 PolarHBondContact O-N 2.9Å; Y1484-F1486 PolarHBondContact O-N 3.2Å; Y1484-C1487 PolarHBondContact O-N 3.05Å; Y1484-F1488 WeakPolarHBondContact O-CD2 3.31Å; Y1484-F1488 PolarHBondContact O-N 2.95Å; Y1484-L1519 HydrophobicContact CD1-CD2 3.62Å; Y1484-L1519 HydrophobicContact CE1-CD2 3.93Å; Y1484-L1519 HydrophobicContact CG-CD2 4.43Å; Y1484-F1524 HydrophobicContact CE1-CB 4.41Å; Y1484-F1524 AromaticContact CE1-CD1 3.98Å; Y1484-F1524 HydrophobicContact CE1-CD1 4.16Å; Y1484-F1524 HydrophobicContact CE1-CD2 4.5Å; Y1484-F1524 HydrophobicContact CE1-CE1 4.39Å; Y1484-F1524 HydrophobicContact CE1-CG 4.19Å; Y1484-F1524 AromaticContact CZ-CD1 3.97Å; Y1484-F1524 VanDerWaalsContact OH-CD1 3.27Å; Y1484-F1524 WeakPolarHBondContact OH-CD1 3.4Å; Y1484-F1524 WeakPolarHBondContact OH-CE1 3.36Å; Y1484-I1527 HydrophobicContact CD1-CG2 3.88Å; Y1484-I1527 HydrophobicContact CD2-CD1 4.28Å; Y1484-I1527 HydrophobicContact CD2-CG2 3.89Å; Y1484-I1527 HydrophobicContact CE1-CD1 4.28Å; Y1484-I1527 HydrophobicContact CE1-CG2 4.21Å; Y1484-I1527 HydrophobicContact CE2-CD1 3.85Å; Y1484-I1527 HydrophobicContact CE2-CG2 4.32Å; Y1484-I1527 HydrophobicContact CG-CG2 3.68Å; Y1484-L1531 VanDerWaalsContact CB-CD1 3.45Å; Y1484-L1531 HydrophobicContact CG-CD1 4.33Å |
| 1485 | E | 79.3 | Confident | 72.7 | Confident | 77.8 Ų | 77.8 | 44 Ų | 44 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56 | -50.5 | 175 | -165.5 | -172.9 | 160.5 | 0 | 0 | 111.6 | F1481 K1482 V1483 C1487 F1488 Q1489 L1531 | F1481-E1485 PolarHBondContact O-N 3.18Å; F1481-E1485 VanDerWaalsContact O-N 3.09Å; K1482-E1485 WeakPolarHBondContact O-CB 3.29Å; K1482-E1485 PolarHBondContact O-N 3.29Å; V1483-E1485 VanDerWaalsContact C-N 3.35Å; E1485-C1487 VanDerWaalsContact C-N 3.34Å; E1485-C1487 PolarHBondContact O-N 3.22Å; E1485-F1488 PolarHBondContact O-N 3.03Å; E1485-Q1489 WeakPolarHBondContact O-CB 3.47Å; E1485-Q1489 WeakPolarHBondContact O-CG 3.33Å; E1485-Q1489 PolarHBondContact O-N 3.05Å; E1485-Q1489 PolarHBondContact OE1-NE2 2.94Å; E1485-Q1489 VanDerWaalsContact OE1-NE2 3.14Å; E1485-L1531 HydrophobicContact CB-CD2 3.81Å; E1485-L1531 HydrophobicContact CG-CD2 4.24Å |
| 1486 | F | 81.3 | Confident | 74.7 | Confident | 19.4 Ų | 19.4 | 46.1 Ų | 46.1 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 178.5 | -62.1 | -21.5 | 0 | 0 | 0 | 111.9 | I1402 P1405 L1414 K1482 V1483 Y1484 Q1489 W1490 | I1402-F1486 WeakPolarHBondContact O-CD2 3.33Å; I1402-F1486 WeakPolarHBondContact O-CE2 3.18Å; P1405-F1486 HydrophobicContact CB-CZ 4.21Å; L1414-F1486 HydrophobicContact CD1-CD1 4Å; L1414-F1486 HydrophobicContact CD1-CE1 4.04Å; L1414-F1486 HydrophobicContact CD1-CG 4.42Å; L1414-F1486 HydrophobicContact CD1-CZ 4.44Å; L1414-F1486 HydrophobicContact CD2-CB 4.34Å; L1414-F1486 HydrophobicContact CD2-CD1 3.88Å; L1414-F1486 HydrophobicContact CD2-CE1 4.44Å; L1414-F1486 HydrophobicContact CD2-CG 4.32Å; L1414-F1486 HydrophobicContact CG-CD1 4.31Å; L1414-F1486 HydrophobicContact CG-CG 4.42Å; K1482-F1486 HydrophobicContact CB-CE2 4.17Å; K1482-F1486 HydrophobicContact CB-CZ 4.22Å; K1482-F1486 WeakPolarHBondContact O-CB 3.26Å; K1482-F1486 WeakPolarHBondContact O-CD1 3.22Å; K1482-F1486 WeakPolarHBondContact O-CD2 3.38Å; K1482-F1486 WeakPolarHBondContact O-CG 3.36Å; K1482-F1486 PolarHBondContact O-N 3.34Å; V1483-F1486 PolarHBondContact O-N 3.05Å; Y1484-F1486 PolarHBondContact O-N 3.2Å; F1486-Q1489 PolarHBondContact O-N 3.12Å; F1486-W1490 VanDerWaalsContact O-CB 3.28Å; F1486-W1490 WeakPolarHBondContact O-CB 3.26Å; F1486-W1490 PolarHBondContact O-N 3.02Å |
| 1487 | C | 85.2 | Confident | 76.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 177.1 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | V1483 Y1484 E1485 A1491 L1519 | V1483-C1487 WeakPolarHBondContact O-CB 3.3Å; V1483-C1487 PolarHBondContact O-N 3.17Å; V1483-C1487 PolarHBondContact O-SG 3.27Å; Y1484-C1487 PolarHBondContact O-N 3.05Å; E1485-C1487 VanDerWaalsContact C-N 3.34Å; E1485-C1487 PolarHBondContact O-N 3.22Å; C1487-A1491 VanDerWaalsContact O-CB 3.25Å; C1487-A1491 WeakPolarHBondContact O-CB 3.28Å; C1487-A1491 PolarHBondContact O-N 3.17Å; C1487-L1519 HydrophobicContact CB-CD1 3.76Å; C1487-L1519 HydrophobicContact CB-CD2 4.33Å |
| 1488 | F | 83.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 176.3 | -80.8 | -61.1 | 0 | 0 | 0 | 112.4 | Y1484 E1485 A1491 C1492 L1516 L1519 T1520 V1528 L1531 I1536 L1540 | Y1484-F1488 WeakPolarHBondContact O-CD2 3.31Å; Y1484-F1488 PolarHBondContact O-N 2.95Å; E1485-F1488 PolarHBondContact O-N 3.03Å; F1488-A1491 PolarHBondContact O-N 3.09Å; F1488-C1492 WeakPolarHBondContact O-CB 3.38Å; F1488-C1492 PolarHBondContact O-N 3.08Å; F1488-C1492 PolarHBondContact O-SG 3.12Å; F1488-L1516 HydrophobicContact CD1-CD2 4.38Å; F1488-L1516 HydrophobicContact CE1-CD2 4.44Å; F1488-L1519 HydrophobicContact CE1-CB 4.11Å; F1488-L1519 HydrophobicContact CE1-CD1 4.48Å; F1488-L1519 HydrophobicContact CE2-CB 4.44Å; F1488-L1519 HydrophobicContact CZ-CB 3.9Å; F1488-T1520 HydrophobicContact CE1-CG2 4.11Å; F1488-T1520 HydrophobicContact CZ-CG2 4.47Å; F1488-V1528 HydrophobicContact CE2-CG2 4.38Å; F1488-V1528 HydrophobicContact CZ-CG2 4.03Å; F1488-L1531 HydrophobicContact CD2-CD1 4.11Å; F1488-L1531 HydrophobicContact CE2-CD1 4.1Å; F1488-I1536 HydrophobicContact CB-CG2 3.9Å; F1488-I1536 HydrophobicContact CD1-CG2 4.27Å; F1488-I1536 HydrophobicContact CG-CG2 4.32Å; F1488-L1540 HydrophobicContact CD1-CD1 3.56Å; F1488-L1540 HydrophobicContact CD1-CD2 4.18Å; F1488-L1540 HydrophobicContact CE1-CD1 3.95Å; F1488-L1540 HydrophobicContact CE1-CD2 4.08Å; F1488-L1540 HydrophobicContact CG-CD1 4.45Å |
| 1489 | Q | 82.5 | Confident | 80 | Confident | 77 Ų | 77 | 33.2 Ų | 33.2 | 36% | 0.36 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65 | -46.1 | 176.6 | -136.2 | 178.1 | 5.8 | 0 | 0 | 111.5 | L1414 E1485 F1486 A1491 C1492 N1493 | L1414-Q1489 HydrophobicContact CD2-CB 4.27Å; L1414-Q1489 HydrophobicContact CD2-CG 4.21Å; L1414-Q1489 VanDerWaalsContact CD2-OE1 3.25Å; E1485-Q1489 WeakPolarHBondContact O-CB 3.47Å; E1485-Q1489 WeakPolarHBondContact O-CG 3.33Å; E1485-Q1489 PolarHBondContact O-N 3.05Å; E1485-Q1489 PolarHBondContact OE1-NE2 2.94Å; E1485-Q1489 VanDerWaalsContact OE1-NE2 3.14Å; F1486-Q1489 PolarHBondContact O-N 3.12Å; Q1489-A1491 VanDerWaalsContact C-N 3.32Å; Q1489-A1491 PolarHBondContact O-N 3.03Å; Q1489-C1492 PolarHBondContact O-N 3.15Å; Q1489-N1493 WeakPolarHBondContact O-CB 3.39Å; Q1489-N1493 VanDerWaalsContact O-CG 3.29Å; Q1489-N1493 PolarHBondContact O-N 3.31Å; Q1489-N1493 PolarHBondContact O-ND2 3.3Å |
| 1490 | W | 85.4 | Confident | 81.3 | Confident | 4.6 Ų | 4.6 | 39 Ų | 39 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 172.8 | 167.5 | 77.5 | 0 | 0 | 0 | 111.3 | L1413 P1441 F1486 C1492 N1493 T1494 L1512 V1515 | L1413-W1490 HydrophobicContact CB-CB 4.24Å; L1413-W1490 HydrophobicContact CB-CG 4.41Å; L1413-W1490 HydrophobicContact CD2-CB 4.17Å; L1413-W1490 HydrophobicContact CD2-CD2 3.89Å; L1413-W1490 HydrophobicContact CD2-CE3 4.45Å; L1413-W1490 HydrophobicContact CD2-CG 3.7Å; L1413-W1490 WeakPolarHBondContact O-CB 3.15Å; L1413-W1490 VanDerWaalsContact O-CD1 3.28Å; P1441-W1490 HydrophobicContact CB-CH2 4.03Å; P1441-W1490 HydrophobicContact CB-CZ2 4.33Å; P1441-W1490 HydrophobicContact CG-CH2 3.82Å; P1441-W1490 HydrophobicContact CG-CZ2 3.65Å; F1486-W1490 VanDerWaalsContact O-CB 3.28Å; F1486-W1490 WeakPolarHBondContact O-CB 3.26Å; F1486-W1490 PolarHBondContact O-N 3.02Å; W1490-C1492 PolarHBondContact O-N 3.13Å; W1490-N1493 PolarHBondContact O-N 3.2Å; W1490-T1494 HydrophobicContact CD2-CG2 4.42Å; W1490-T1494 HydrophobicContact CG-CG2 4.45Å; W1490-T1494 HydrophobicContact CZ2-CG2 4.32Å; W1490-T1494 PolarHBondContact NE1-OG1 3.5Å; W1490-T1494 WeakPolarHBondContact O-CB 3.47Å; W1490-T1494 WeakPolarHBondContact O-CG2 3.4Å; W1490-T1494 PolarHBondContact O-N 3.27Å; W1490-T1494 PolarHBondContact O-OG1 3.13Å; W1490-L1512 HydrophobicContact CE3-CD1 4.19Å; W1490-L1512 HydrophobicContact CH2-CB 4.42Å; W1490-L1512 HydrophobicContact CH2-CD1 3.74Å; W1490-L1512 HydrophobicContact CZ2-CD1 4.44Å; W1490-L1512 HydrophobicContact CZ3-CD1 3.59Å; W1490-V1515 HydrophobicContact CZ3-CB 4.48Å; W1490-V1515 HydrophobicContact CZ3-CG1 4.26Å |
| 1491 | A | 86.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | C1487 F1488 Q1489 N1493 T1494 L1495 L1512 L1516 | C1487-A1491 VanDerWaalsContact O-CB 3.25Å; C1487-A1491 WeakPolarHBondContact O-CB 3.28Å; C1487-A1491 PolarHBondContact O-N 3.17Å; F1488-A1491 PolarHBondContact O-N 3.09Å; Q1489-A1491 VanDerWaalsContact C-N 3.32Å; Q1489-A1491 PolarHBondContact O-N 3.03Å; A1491-N1493 VanDerWaalsContact C-N 3.34Å; A1491-N1493 PolarHBondContact O-N 3.08Å; A1491-T1494 WeakPolarHBondContact CA-OG1 3.33Å; A1491-T1494 PolarHBondContact O-N 3.24Å; A1491-T1494 PolarHBondContact O-OG1 3.11Å; A1491-L1495 WeakPolarHBondContact O-CB 3.45Å; A1491-L1495 VanDerWaalsContact O-CG 3.26Å; A1491-L1495 WeakPolarHBondContact O-CG 3.31Å; A1491-L1495 PolarHBondContact O-N 3.25Å; A1491-L1512 HydrophobicContact CB-CD1 3.73Å; A1491-L1516 HydrophobicContact CB-CD1 4.15Å; A1491-L1516 HydrophobicContact CB-CD2 3.55Å; A1491-L1516 VanDerWaalsContact CB-CD2 3.49Å; A1491-L1516 HydrophobicContact CB-CG 3.92Å |
| 1492 | C | 84 | Confident | 82.3 | Confident | 5.4 Ų | 5.4 | 35.8 Ų | 35.8 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.6 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | F1488 Q1489 W1490 L1495 K1496 L1540 | F1488-C1492 WeakPolarHBondContact O-CB 3.38Å; F1488-C1492 PolarHBondContact O-N 3.08Å; F1488-C1492 PolarHBondContact O-SG 3.12Å; Q1489-C1492 PolarHBondContact O-N 3.15Å; W1490-C1492 PolarHBondContact O-N 3.13Å; C1492-L1495 PolarHBondContact O-N 3.14Å; C1492-K1496 WeakPolarHBondContact O-CG 3.34Å; C1492-K1496 PolarHBondContact O-N 3.17Å; C1492-L1540 VanDerWaalsContact SG-CD2 3.57Å; C1492-L1540 VanDerWaalsContact SG-CG 3.59Å |
| 1493 | N | 82.8 | Confident | 82.4 | Confident | 58.8 Ų | 58.8 | 34.3 Ų | 34.3 | 31% | 0.314 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 179.7 | -72.7 | -21.3 | 0 | 0 | 0 | 112 | Q1489 W1490 A1491 K1496 | Q1489-N1493 WeakPolarHBondContact O-CB 3.39Å; Q1489-N1493 VanDerWaalsContact O-CG 3.29Å; Q1489-N1493 PolarHBondContact O-N 3.31Å; Q1489-N1493 PolarHBondContact O-ND2 3.3Å; W1490-N1493 PolarHBondContact O-N 3.2Å; A1491-N1493 VanDerWaalsContact C-N 3.34Å; A1491-N1493 PolarHBondContact O-N 3.08Å; N1493-K1496 WeakPolarHBondContact O-CB 3.31Å; N1493-K1496 PolarHBondContact O-N 3.24Å |
| 1494 | T | 82.9 | Confident | 82.3 | Confident | 1.4 Ų | 1.4 | 38 Ų | 38 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -39.9 | 177.1 | 11.3 | 0 | 0 | 0 | 0 | 112 | W1490 A1491 K1496 E1497 F1498 R1508 L1512 | W1490-T1494 HydrophobicContact CD2-CG2 4.42Å; W1490-T1494 HydrophobicContact CG-CG2 4.45Å; W1490-T1494 HydrophobicContact CZ2-CG2 4.32Å; W1490-T1494 PolarHBondContact NE1-OG1 3.5Å; W1490-T1494 WeakPolarHBondContact O-CB 3.47Å; W1490-T1494 WeakPolarHBondContact O-CG2 3.4Å; W1490-T1494 PolarHBondContact O-N 3.27Å; W1490-T1494 PolarHBondContact O-OG1 3.13Å; A1491-T1494 WeakPolarHBondContact CA-OG1 3.33Å; A1491-T1494 PolarHBondContact O-N 3.24Å; A1491-T1494 PolarHBondContact O-OG1 3.11Å; T1494-K1496 VanDerWaalsContact C-N 3.27Å; T1494-K1496 PolarHBondContact O-N 3.15Å; T1494-E1497 WeakPolarHBondContact O-CB 3.43Å; T1494-E1497 PolarHBondContact O-N 3.32Å; T1494-E1497 VanDerWaalsContact O-N 3.1Å; T1494-F1498 HydrophobicContact CG2-CD2 4.1Å; T1494-F1498 HydrophobicContact CG2-CE2 3.9Å; T1494-F1498 WeakPolarHBondContact O-CD2 3.4Å; T1494-F1498 PolarHBondContact O-N 3.13Å; T1494-R1508 VanDerWaalsContact CG2-NH2 3.33Å; T1494-L1512 HydrophobicContact CG2-CD1 4.32Å; T1494-L1512 HydrophobicContact CG2-CD2 3.65Å; T1494-L1512 HydrophobicContact CG2-CG 4.48Å; T1494-L1512 WeakPolarHBondContact OG1-CD1 3.36Å; T1494-L1512 VanDerWaalsContact OG1-CD2 3.3Å; T1494-L1512 WeakPolarHBondContact OG1-CD2 3.42Å |
| 1495 | L | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -37.2 | 175.2 | -73.5 | 170.7 | 0 | 0 | 0 | 112.3 | A1491 C1492 E1497 F1498 I1499 L1512 L1516 L1540 H1543 V1544 L1547 F1572 | A1491-L1495 WeakPolarHBondContact O-CB 3.45Å; A1491-L1495 VanDerWaalsContact O-CG 3.26Å; A1491-L1495 WeakPolarHBondContact O-CG 3.31Å; A1491-L1495 PolarHBondContact O-N 3.25Å; C1492-L1495 PolarHBondContact O-N 3.14Å; L1495-E1497 VanDerWaalsContact C-N 3.25Å; L1495-E1497 PolarHBondContact O-N 3.18Å; L1495-F1498 PolarHBondContact O-N 3.24Å; L1495-F1498 VanDerWaalsContact O-N 3.14Å; L1495-I1499 WeakPolarHBondContact O-CG1 3.22Å; L1495-I1499 PolarHBondContact O-N 3.21Å; L1495-I1499 VanDerWaalsContact O-N 3.13Å; L1495-L1512 HydrophobicContact CD2-CD2 3.67Å; L1495-L1512 HydrophobicContact CD2-CG 4.45Å; L1495-L1512 HydrophobicContact CG-CD2 3.9Å; L1495-L1516 HydrophobicContact CD1-CD1 3.9Å; L1495-L1516 HydrophobicContact CD2-CD1 4.46Å; L1495-L1516 HydrophobicContact CG-CD1 4.41Å; L1495-L1540 HydrophobicContact CD1-CD1 3.64Å; L1495-L1540 VanDerWaalsContact CD1-CD1 3.46Å; L1495-L1540 HydrophobicContact CD1-CD2 3.86Å; L1495-L1540 HydrophobicContact CD1-CG 4.35Å; L1495-H1543 HydrophobicContact CB-CB 4.09Å; L1495-H1543 HydrophobicContact CD1-CB 4.16Å; L1495-V1544 HydrophobicContact CD1-CG2 3.91Å; L1495-V1544 HydrophobicContact CD2-CG2 4.46Å; L1495-L1547 HydrophobicContact CD2-CD1 3.51Å; L1495-L1547 VanDerWaalsContact CD2-CD1 3.48Å; L1495-F1572 HydrophobicContact CD2-CE1 4.07Å; L1495-F1572 HydrophobicContact CD2-CZ 4.34Å |
| 1496 | K | 84.3 | Confident | 82.5 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 40% | 0.4 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -35.5 | 175.8 | -74.1 | 174.5 | -178.2 | 175.7 | 0 | 113.1 | C1492 N1493 T1494 I1499 H1543 | C1492-K1496 WeakPolarHBondContact O-CG 3.34Å; C1492-K1496 PolarHBondContact O-N 3.17Å; N1493-K1496 WeakPolarHBondContact O-CB 3.31Å; N1493-K1496 PolarHBondContact O-N 3.24Å; T1494-K1496 VanDerWaalsContact C-N 3.27Å; T1494-K1496 PolarHBondContact O-N 3.15Å; K1496-I1499 PolarHBondContact O-N 3.25Å; K1496-H1543 VanDerWaalsContact CE-NE2 3.35Å; K1496-H1543 WeakPolarHBondContact CE-NE2 3.33Å; K1496-H1543 VanDerWaalsContact CG-CD2 3.46Å; K1496-H1543 WeakPolarHBondContact CG-CD2 3.38Å; K1496-H1543 WeakPolarHBondContact CG-NE2 3.43Å |
| 1497 | E | 82.6 | Confident | 82.6 | Confident | 40.6 Ų | 40.6 | 41.7 Ų | 41.7 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 177.5 | -57.7 | -174.4 | 158.9 | 0 | 0 | 111 | K1417 T1494 L1495 I1499 I1500 S1501 R1508 | K1417-E1497 WeakPolarHBondContact CE-OE1 3.35Å; K1417-E1497 IonicContact NZ-OE1 3.09Å; K1417-E1497 PolarHBondContact NZ-OE1 2.92Å; T1494-E1497 WeakPolarHBondContact O-CB 3.43Å; T1494-E1497 PolarHBondContact O-N 3.32Å; T1494-E1497 VanDerWaalsContact O-N 3.1Å; L1495-E1497 VanDerWaalsContact C-N 3.25Å; L1495-E1497 PolarHBondContact O-N 3.18Å; E1497-I1499 VanDerWaalsContact C-N 3.34Å; E1497-I1499 PolarHBondContact O-N 3.19Å; E1497-I1500 PolarHBondContact O-N 2.99Å; E1497-S1501 PolarHBondContact O-N 3.08Å; E1497-R1508 IonicContact OE2-CZ 3.41Å; E1497-R1508 VanDerWaalsContact OE2-CZ 3.29Å; E1497-R1508 IonicContact OE2-NH1 3.26Å; E1497-R1508 PolarHBondContact OE2-NH1 3.19Å; E1497-R1508 VanDerWaalsContact OE2-NH1 3.14Å; E1497-R1508 IonicContact OE2-NH2 3.32Å; E1497-R1508 PolarHBondContact OE2-NH2 2.98Å |
| 1498 | F | 84.9 | Confident | 82.5 | Confident | 1.4 Ų | 1.4 | 42.9 Ų | 42.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.4 | -23 | 179.7 | -76.4 | -75.2 | 0 | 0 | 0 | 113.9 | T1494 L1495 I1500 S1501 P1502 D1505 R1508 L1509 L1512 L1547 | T1494-F1498 HydrophobicContact CG2-CD2 4.1Å; T1494-F1498 HydrophobicContact CG2-CE2 3.9Å; T1494-F1498 WeakPolarHBondContact O-CD2 3.4Å; T1494-F1498 PolarHBondContact O-N 3.13Å; L1495-F1498 PolarHBondContact O-N 3.24Å; L1495-F1498 VanDerWaalsContact O-N 3.14Å; F1498-I1500 PolarHBondContact O-N 3.07Å; F1498-S1501 CarbonylContact O-C 3.46Å; F1498-S1501 VanDerWaalsContact O-C 3.23Å; F1498-S1501 PolarHBondContact O-N 3.1Å; F1498-P1502 WeakPolarHBondContact O-CA 3.41Å; F1498-P1502 WeakPolarHBondContact O-CB 3.4Å; F1498-P1502 VanDerWaalsContact O-CD 3.28Å; F1498-P1502 WeakPolarHBondContact O-CD 3.34Å; F1498-D1505 HydrophobicContact CE1-CB 4.24Å; F1498-D1505 VanDerWaalsContact CE1-O 3.28Å; F1498-D1505 WeakPolarHBondContact CE1-O 3.27Å; F1498-D1505 HydrophobicContact CZ-CB 4.37Å; F1498-D1505 WeakPolarHBondContact CZ-O 3.28Å; F1498-R1508 HydrophobicContact CE2-CG 3.98Å; F1498-R1508 HydrophobicContact CZ-CB 3.95Å; F1498-R1508 HydrophobicContact CZ-CG 3.76Å; F1498-L1509 HydrophobicContact CB-CD1 3.98Å; F1498-L1509 HydrophobicContact CD1-CB 4.33Å; F1498-L1509 HydrophobicContact CD1-CD1 3.98Å; F1498-L1509 HydrophobicContact CD1-CD2 4.42Å; F1498-L1509 HydrophobicContact CD1-CG 4.48Å; F1498-L1509 HydrophobicContact CD2-CD1 3.71Å; F1498-L1509 HydrophobicContact CE1-CB 3.99Å; F1498-L1509 HydrophobicContact CE1-CD1 4.36Å; F1498-L1509 HydrophobicContact CE2-CB 4.46Å; F1498-L1509 HydrophobicContact CE2-CD1 4.11Å; F1498-L1509 HydrophobicContact CG-CD1 3.62Å; F1498-L1509 HydrophobicContact CZ-CB 4.05Å; F1498-L1509 HydrophobicContact CZ-CD1 4.41Å; F1498-L1512 HydrophobicContact CD2-CD2 4.48Å; F1498-L1547 HydrophobicContact CB-CD1 4.47Å; F1498-L1547 HydrophobicContact CB-CD2 4.09Å; F1498-L1547 WeakPolarHBondContact O-CD2 3.25Å |
| 1499 | I | 82.2 | Confident | 82.6 | Confident | 46.4 Ų | 46.4 | 42.5 Ų | 42.5 | 24% | 0.238 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -33.9 | 174.2 | -71.3 | 170 | 0 | 0 | 0 | 111.2 | L1495 K1496 E1497 H1543 K1546 L1547 | L1495-I1499 WeakPolarHBondContact O-CG1 3.22Å; L1495-I1499 PolarHBondContact O-N 3.21Å; L1495-I1499 VanDerWaalsContact O-N 3.13Å; K1496-I1499 PolarHBondContact O-N 3.25Å; E1497-I1499 VanDerWaalsContact C-N 3.34Å; E1497-I1499 PolarHBondContact O-N 3.19Å; I1499-H1543 HydrophobicContact CD1-CB 3.87Å; I1499-H1543 WeakPolarHBondContact CD1-CD2 3.36Å; I1499-K1546 HydrophobicContact CD1-CD 4.48Å; I1499-K1546 HydrophobicContact CG2-CD 3.65Å; I1499-K1546 HydrophobicContact CG2-CG 4.32Å; I1499-L1547 HydrophobicContact CG1-CD1 4.45Å; I1499-L1547 HydrophobicContact CG1-CD2 4.2Å; I1499-L1547 HydrophobicContact CG1-CG 4.11Å |
| 1500 | I | 82.2 | Confident | 82.8 | Confident | 150.2 Ų | 150.2 | 40.7 Ų | 40.7 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -77.2 | -39.3 | 179 | -56.8 | 169.8 | 0 | 0 | 0 | 110.5 | E1497 F1498 | E1497-I1500 PolarHBondContact O-N 2.99Å; F1498-I1500 PolarHBondContact O-N 3.07Å |
| 1501 | S | 80.3 | Confident | 82.8 | Confident | 54.4 Ų | 54.4 | 41.7 Ų | 41.7 | 38% | 0.38 | 22% | 0.224 | S | C | . | . | trans | -138.5 | 79.7 | -177.8 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | E1497 F1498 F1503 S1504 | E1497-S1501 PolarHBondContact O-N 3.08Å; F1498-S1501 CarbonylContact O-C 3.46Å; F1498-S1501 VanDerWaalsContact O-C 3.23Å; F1498-S1501 PolarHBondContact O-N 3.1Å; S1501-F1503 VanDerWaalsContact C-N 3.3Å; S1501-F1503 PolarHBondContact O-N 3.12Å; S1501-S1504 WeakPolarHBondContact O-CB 3.41Å; S1501-S1504 PolarHBondContact O-N 3.26Å; S1501-S1504 PolarHBondContact O-OG 2.9Å; S1501-S1504 PolarHBondContact OG-OG 3.1Å | ||
| 1502 | P | 76.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.6 | -168.8 | 17.9 | -25.8 | 0 | 0 | 0 | 114.1 | F1498 L1547 V1550 F1551 | F1498-P1502 WeakPolarHBondContact O-CA 3.41Å; F1498-P1502 WeakPolarHBondContact O-CB 3.4Å; F1498-P1502 VanDerWaalsContact O-CD 3.28Å; F1498-P1502 WeakPolarHBondContact O-CD 3.34Å; P1502-L1547 HydrophobicContact CB-CD2 3.99Å; P1502-V1550 HydrophobicContact CB-CG1 4.36Å; P1502-V1550 HydrophobicContact CG-CB 4.37Å; P1502-V1550 HydrophobicContact CG-CG1 3.58Å; P1502-F1551 HydrophobicContact CB-CE2 4.04Å; P1502-F1551 HydrophobicContact CB-CZ 4.38Å |
| 1503 | F | 78 | Confident | 83.1 | Confident | 67.2 Ų | 67.2 | 41.5 Ų | 41.5 | 30% | 0.295 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 8.8 | -178.1 | -54.4 | -76.6 | 0 | 0 | 0 | 113.7 | S1501 D1505 L1506 V1550 F1551 Q1554 A1559 | S1501-F1503 VanDerWaalsContact C-N 3.3Å; S1501-F1503 PolarHBondContact O-N 3.12Å; F1503-D1505 VanDerWaalsContact C-N 3.34Å; F1503-D1505 PolarHBondContact O-N 3.03Å; F1503-L1506 HydrophobicContact CD1-CD2 4.28Å; F1503-V1550 HydrophobicContact CE2-CG1 4.12Å; F1503-V1550 HydrophobicContact CZ-CG1 4.33Å; F1503-F1551 AromaticContact CD1-CE1 3.95Å; F1503-F1551 HydrophobicContact CD1-CE1 4.03Å; F1503-F1551 HydrophobicContact CD1-CZ 4.27Å; F1503-F1551 AromaticContact CE1-CD1 3.8Å; F1503-F1551 HydrophobicContact CE1-CD1 3.8Å; F1503-F1551 AromaticContact CE1-CE1 3.55Å; F1503-F1551 HydrophobicContact CE1-CE1 3.55Å; F1503-F1551 VanDerWaalsContact CE1-CE1 3.44Å; F1503-F1551 HydrophobicContact CE1-CG 4.45Å; F1503-F1551 HydrophobicContact CE1-CZ 4.1Å; F1503-F1551 HydrophobicContact CZ-CD1 4.13Å; F1503-F1551 HydrophobicContact CZ-CE1 4.17Å; F1503-Q1554 VanDerWaalsContact CE2-OE1 3.23Å; F1503-A1559 HydrophobicContact CD1-CB 4Å; F1503-A1559 HydrophobicContact CE1-CB 4.18Å |
| 1504 | S | 78.8 | Confident | 83.3 | Confident | 79.2 Ų | 79.2 | 41 Ų | 41 | 55% | 0.554 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -66 | -39.9 | -175.8 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | S1501 | S1501-S1504 WeakPolarHBondContact O-CB 3.41Å; S1501-S1504 PolarHBondContact O-N 3.26Å; S1501-S1504 PolarHBondContact O-OG 2.9Å; S1501-S1504 PolarHBondContact OG-OG 3.1Å |
| 1505 | D | 80.9 | Confident | 83.5 | Confident | 56.2 Ų | 56.2 | 40.9 Ų | 40.9 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | trans | -151.6 | 89 | -179.6 | -172.5 | -15.5 | 0 | 0 | 0 | 110.5 | F1498 F1503 V1507 R1508 L1509 | F1498-D1505 HydrophobicContact CE1-CB 4.24Å; F1498-D1505 VanDerWaalsContact CE1-O 3.28Å; F1498-D1505 WeakPolarHBondContact CE1-O 3.27Å; F1498-D1505 HydrophobicContact CZ-CB 4.37Å; F1498-D1505 WeakPolarHBondContact CZ-O 3.28Å; F1503-D1505 VanDerWaalsContact C-N 3.34Å; F1503-D1505 PolarHBondContact O-N 3.03Å; D1505-V1507 VanDerWaalsContact C-N 3.26Å; D1505-V1507 PolarHBondContact O-N 3.21Å; D1505-V1507 PolarHBondContact OD1-N 3.2Å; D1505-R1508 HydrophobicContact CB-CB 4.11Å; D1505-R1508 VanDerWaalsContact CG-CB 3.44Å; D1505-R1508 PolarHBondContact O-N 3.03Å; D1505-R1508 PolarHBondContact OD1-N 3.23Å; D1505-R1508 WeakPolarHBondContact OD2-CB 3.41Å; D1505-L1509 WeakPolarHBondContact O-CB 3.41Å; D1505-L1509 PolarHBondContact O-N 3.17Å; D1505-L1509 VanDerWaalsContact O-N 3.1Å | ||
| 1506 | L | 81.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.6 | -26.1 | -177.7 | -68.7 | 173.2 | 0 | 0 | 0 | 113.1 | F1503 N1510 F1551 A1559 I1564 N1568 | F1503-L1506 HydrophobicContact CD1-CD2 4.28Å; L1506-N1510 WeakPolarHBondContact O-CB 3.32Å; L1506-N1510 PolarHBondContact O-N 3.18Å; L1506-F1551 HydrophobicContact CD2-CE1 3.9Å; L1506-F1551 HydrophobicContact CD2-CZ 3.85Å; L1506-A1559 HydrophobicContact CD1-CB 4.09Å; L1506-I1564 HydrophobicContact CB-CG2 3.73Å; L1506-I1564 HydrophobicContact CD1-CG2 3.46Å; L1506-I1564 HydrophobicContact CG-CG2 4.3Å; L1506-N1568 PolarHBondContact O-ND2 3.2Å |
| 1507 | V | 83 | Confident | 83.8 | Confident | 79.4 Ų | 79.4 | 37.1 Ų | 37.1 | 48% | 0.481 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.5 | -48 | 180 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | D1505 L1509 N1510 L1511 I1564 | D1505-V1507 VanDerWaalsContact C-N 3.26Å; D1505-V1507 PolarHBondContact O-N 3.21Å; D1505-V1507 PolarHBondContact OD1-N 3.2Å; V1507-L1509 VanDerWaalsContact C-N 3.28Å; V1507-L1509 PolarHBondContact O-N 3.15Å; V1507-N1510 WeakPolarHBondContact O-CB 3.27Å; V1507-N1510 PolarHBondContact O-N 3.07Å; V1507-N1510 VanDerWaalsContact O-N 3.14Å; V1507-L1511 PolarHBondContact O-N 3.07Å; V1507-L1511 VanDerWaalsContact O-N 3.07Å; V1507-I1564 HydrophobicContact CG2-CD1 4.26Å |
| 1508 | R | 83.9 | Confident | 83.9 | Confident | 25.4 Ų | 25.4 | 36.4 Ų | 36.4 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 174.4 | 177 | -176.1 | 175.1 | -155.6 | -2.9 | 111.4 | Y1437 T1494 E1497 F1498 D1505 N1510 L1511 L1512 | Y1437-R1508 VanDerWaalsContact CD1-CZ 3.46Å; Y1437-R1508 VanDerWaalsContact CD1-NE 3.32Å; Y1437-R1508 HydrophobicContact CG-CG 4.36Å; Y1437-R1508 VanDerWaalsContact CZ-CZ 3.44Å; Y1437-R1508 PolarHBondContact OH-NH2 3.33Å; T1494-R1508 VanDerWaalsContact CG2-NH2 3.33Å; E1497-R1508 IonicContact OE2-CZ 3.41Å; E1497-R1508 VanDerWaalsContact OE2-CZ 3.29Å; E1497-R1508 IonicContact OE2-NH1 3.26Å; E1497-R1508 PolarHBondContact OE2-NH1 3.19Å; E1497-R1508 VanDerWaalsContact OE2-NH1 3.14Å; E1497-R1508 IonicContact OE2-NH2 3.32Å; E1497-R1508 PolarHBondContact OE2-NH2 2.98Å; F1498-R1508 HydrophobicContact CE2-CG 3.98Å; F1498-R1508 HydrophobicContact CZ-CB 3.95Å; F1498-R1508 HydrophobicContact CZ-CG 3.76Å; D1505-R1508 HydrophobicContact CB-CB 4.11Å; D1505-R1508 VanDerWaalsContact CG-CB 3.44Å; D1505-R1508 PolarHBondContact O-N 3.03Å; D1505-R1508 PolarHBondContact OD1-N 3.23Å; D1505-R1508 WeakPolarHBondContact OD2-CB 3.41Å; R1508-N1510 VanDerWaalsContact C-N 3.32Å; R1508-N1510 PolarHBondContact O-N 3.08Å; R1508-L1511 PolarHBondContact O-N 3.16Å; R1508-L1512 WeakPolarHBondContact O-CB 3.4Å; R1508-L1512 PolarHBondContact O-N 3.3Å; R1508-L1512 VanDerWaalsContact O-N 3.1Å |
| 1509 | L | 85.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.9 | -169.4 | 63.2 | 0 | 0 | 0 | 112.1 | F1498 D1505 V1507 L1512 A1513 L1547 F1551 F1572 | F1498-L1509 HydrophobicContact CB-CD1 3.98Å; F1498-L1509 HydrophobicContact CD1-CB 4.33Å; F1498-L1509 HydrophobicContact CD1-CD1 3.98Å; F1498-L1509 HydrophobicContact CD1-CD2 4.42Å; F1498-L1509 HydrophobicContact CD1-CG 4.48Å; F1498-L1509 HydrophobicContact CD2-CD1 3.71Å; F1498-L1509 HydrophobicContact CE1-CB 3.99Å; F1498-L1509 HydrophobicContact CE1-CD1 4.36Å; F1498-L1509 HydrophobicContact CE2-CB 4.46Å; F1498-L1509 HydrophobicContact CE2-CD1 4.11Å; F1498-L1509 HydrophobicContact CG-CD1 3.62Å; F1498-L1509 HydrophobicContact CZ-CB 4.05Å; F1498-L1509 HydrophobicContact CZ-CD1 4.41Å; D1505-L1509 WeakPolarHBondContact O-CB 3.41Å; D1505-L1509 PolarHBondContact O-N 3.17Å; D1505-L1509 VanDerWaalsContact O-N 3.1Å; V1507-L1509 VanDerWaalsContact C-N 3.28Å; V1507-L1509 PolarHBondContact O-N 3.15Å; L1509-L1512 HydrophobicContact CD1-CD2 4.34Å; L1509-L1512 PolarHBondContact O-N 3.23Å; L1509-A1513 WeakPolarHBondContact O-CB 3.33Å; L1509-A1513 PolarHBondContact O-N 3.16Å; L1509-L1547 HydrophobicContact CD1-CD1 4.41Å; L1509-F1551 HydrophobicContact CD2-CE2 3.6Å; L1509-F1551 HydrophobicContact CD2-CZ 3.49Å; L1509-F1551 VanDerWaalsContact CD2-CZ 3.46Å; L1509-F1572 HydrophobicContact CD1-CE2 4.21Å; L1509-F1572 HydrophobicContact CD1-CZ 3.57Å; L1509-F1572 HydrophobicContact CD2-CE2 3.99Å; L1509-F1572 HydrophobicContact CD2-CZ 4.2Å; L1509-F1572 HydrophobicContact CG-CE2 4Å; L1509-F1572 HydrophobicContact CG-CZ 3.74Å |
| 1510 | N | 86.9 | Confident | 83.8 | Confident | 38.2 Ų | 38.2 | 34.2 Ų | 34.2 | 20% | 0.204 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.3 | -166.6 | -79.9 | 0 | 0 | 0 | 112.2 | L1506 V1507 R1508 L1512 A1513 N1514 I1564 S1567 N1568 L1571 | L1506-N1510 WeakPolarHBondContact O-CB 3.32Å; L1506-N1510 PolarHBondContact O-N 3.18Å; V1507-N1510 WeakPolarHBondContact O-CB 3.27Å; V1507-N1510 PolarHBondContact O-N 3.07Å; V1507-N1510 VanDerWaalsContact O-N 3.14Å; R1508-N1510 VanDerWaalsContact C-N 3.32Å; R1508-N1510 PolarHBondContact O-N 3.08Å; N1510-L1512 VanDerWaalsContact C-N 3.32Å; N1510-L1512 PolarHBondContact O-N 3.19Å; N1510-A1513 PolarHBondContact O-N 3.22Å; N1510-N1514 WeakPolarHBondContact O-CB 3.39Å; N1510-N1514 PolarHBondContact O-N 3.06Å; N1510-I1564 HydrophobicContact CB-CG1 4.5Å; N1510-I1564 HydrophobicContact CB-CG2 4.28Å; N1510-S1567 WeakPolarHBondContact ND2-CB 3.31Å; N1510-S1567 PolarHBondContact ND2-OG 3.06Å; N1510-S1567 PolarHBondContact OD1-OG 2.87Å; N1510-N1568 WeakPolarHBondContact CA-OD1 3.39Å; N1510-N1568 WeakPolarHBondContact CB-OD1 3.36Å; N1510-N1568 PolarHBondContact N-OD1 3.14Å; N1510-N1568 PolarHBondContact ND2-OD1 3.02Å; N1510-N1568 PolarHBondContact OD1-OD1 3.41Å; N1510-L1571 WeakPolarHBondContact OD1-CD1 3.22Å |
| 1511 | L | 85.1 | Confident | 83.8 | Confident | 26.4 Ų | 26.4 | 27.7 Ų | 27.7 | 14% | 0.138 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.3 | -70 | 172.6 | 0 | 0 | 0 | 111.5 | H1438 P1441 C1442 V1507 R1508 N1514 V1515 | H1438-L1511 HydrophobicContact CB-CD1 4.5Å; P1441-L1511 HydrophobicContact CB-CB 4.08Å; P1441-L1511 HydrophobicContact CB-CD1 4.47Å; C1442-L1511 VanDerWaalsContact SG-CD1 3.56Å; C1442-L1511 VanDerWaalsContact SG-CD2 3.59Å; C1442-L1511 WeakPolarHBondContact SG-CD2 3.28Å; V1507-L1511 PolarHBondContact O-N 3.07Å; V1507-L1511 VanDerWaalsContact O-N 3.07Å; R1508-L1511 PolarHBondContact O-N 3.16Å; L1511-N1514 PolarHBondContact O-N 3.05Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.29Å; L1511-V1515 PolarHBondContact O-N 3.16Å |
| 1512 | L | 87.9 | Confident | 83.4 | Confident | 2.2 Ų | 2.2 | 28.3 Ų | 28.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 175 | 173 | 64.9 | 0 | 0 | 0 | 112 | W1490 A1491 T1494 L1495 F1498 R1508 L1509 N1510 N1514 V1515 L1516 | W1490-L1512 HydrophobicContact CE3-CD1 4.19Å; W1490-L1512 HydrophobicContact CH2-CB 4.42Å; W1490-L1512 HydrophobicContact CH2-CD1 3.74Å; W1490-L1512 HydrophobicContact CZ2-CD1 4.44Å; W1490-L1512 HydrophobicContact CZ3-CD1 3.59Å; A1491-L1512 HydrophobicContact CB-CD1 3.73Å; T1494-L1512 HydrophobicContact CG2-CD1 4.32Å; T1494-L1512 HydrophobicContact CG2-CD2 3.65Å; T1494-L1512 HydrophobicContact CG2-CG 4.48Å; T1494-L1512 WeakPolarHBondContact OG1-CD1 3.36Å; T1494-L1512 VanDerWaalsContact OG1-CD2 3.3Å; T1494-L1512 WeakPolarHBondContact OG1-CD2 3.42Å; L1495-L1512 HydrophobicContact CD2-CD2 3.67Å; L1495-L1512 HydrophobicContact CD2-CG 4.45Å; L1495-L1512 HydrophobicContact CG-CD2 3.9Å; F1498-L1512 HydrophobicContact CD2-CD2 4.48Å; R1508-L1512 WeakPolarHBondContact O-CB 3.4Å; R1508-L1512 PolarHBondContact O-N 3.3Å; R1508-L1512 VanDerWaalsContact O-N 3.1Å; L1509-L1512 HydrophobicContact CD1-CD2 4.34Å; L1509-L1512 PolarHBondContact O-N 3.23Å; N1510-L1512 VanDerWaalsContact C-N 3.32Å; N1510-L1512 PolarHBondContact O-N 3.19Å; L1512-N1514 VanDerWaalsContact C-N 3.29Å; L1512-N1514 PolarHBondContact O-N 3.21Å; L1512-V1515 PolarHBondContact O-N 3.17Å; L1512-L1516 HydrophobicContact CD1-CD1 4.23Å; L1512-L1516 HydrophobicContact CD1-CG 4.42Å; L1512-L1516 HydrophobicContact CG-CD1 4.24Å; L1512-L1516 WeakPolarHBondContact O-CB 3.3Å; L1512-L1516 WeakPolarHBondContact O-CG 3.38Å; L1512-L1516 PolarHBondContact O-N 3.22Å |
| 1513 | A | 87.9 | Confident | 83 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1509 N1510 L1516 A1517 L1571 F1572 | L1509-A1513 WeakPolarHBondContact O-CB 3.33Å; L1509-A1513 PolarHBondContact O-N 3.16Å; N1510-A1513 PolarHBondContact O-N 3.22Å; A1513-L1516 PolarHBondContact O-N 3.16Å; A1513-A1517 WeakPolarHBondContact O-CB 3.36Å; A1513-A1517 PolarHBondContact O-N 3.11Å; A1513-L1571 HydrophobicContact CB-CB 3.63Å; A1513-L1571 HydrophobicContact CB-CD1 3.94Å; A1513-L1571 HydrophobicContact CB-CG 4.44Å; A1513-F1572 HydrophobicContact CB-CD1 3.97Å; A1513-F1572 HydrophobicContact CB-CE1 3.58Å; A1513-F1572 HydrophobicContact CB-CE2 4.46Å; A1513-F1572 HydrophobicContact CB-CG 4.47Å; A1513-F1572 HydrophobicContact CB-CZ 3.9Å |
| 1514 | N | 87.5 | Confident | 82.7 | Confident | 47.4 Ų | 47.4 | 27.6 Ų | 27.6 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 177.2 | -156.9 | 15.4 | 0 | 0 | 0 | 111.7 | S1445 N1510 L1511 L1512 L1516 A1517 Q1518 L1571 | S1445-N1514 PolarHBondContact OG-ND2 3.25Å; N1510-N1514 WeakPolarHBondContact O-CB 3.39Å; N1510-N1514 PolarHBondContact O-N 3.06Å; L1511-N1514 PolarHBondContact O-N 3.05Å; L1512-N1514 VanDerWaalsContact C-N 3.29Å; L1512-N1514 PolarHBondContact O-N 3.21Å; N1514-L1516 VanDerWaalsContact C-N 3.31Å; N1514-L1516 PolarHBondContact O-N 3.3Å; N1514-A1517 PolarHBondContact O-N 3.05Å; N1514-A1517 VanDerWaalsContact O-N 3.13Å; N1514-Q1518 VanDerWaalsContact CG-NE2 3.32Å; N1514-Q1518 PolarHBondContact ND2-NE2 3.33Å; N1514-Q1518 VanDerWaalsContact O-CG 3.32Å; N1514-Q1518 WeakPolarHBondContact O-CG 3.3Å; N1514-Q1518 PolarHBondContact O-N 3.21Å; N1514-Q1518 VanDerWaalsContact O-N 3.09Å; N1514-Q1518 PolarHBondContact OD1-NE2 3.01Å; N1514-L1571 HydrophobicContact CB-CD1 4.13Å; N1514-L1571 HydrophobicContact CB-CD2 4.46Å; N1514-L1571 WeakPolarHBondContact OD1-CD2 3.39Å |
| 1515 | V | 87.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 174.2 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | P1441 L1444 F1448 W1490 L1511 L1512 A1517 Q1518 L1519 | P1441-V1515 HydrophobicContact CB-CG2 4.28Å; P1441-V1515 VanDerWaalsContact O-CG2 3.25Å; P1441-V1515 WeakPolarHBondContact O-CG2 3.28Å; L1444-V1515 HydrophobicContact CB-CG1 4.38Å; L1444-V1515 HydrophobicContact CB-CG2 4.11Å; F1448-V1515 HydrophobicContact CD2-CG1 4.4Å; F1448-V1515 HydrophobicContact CE2-CG1 4.4Å; W1490-V1515 HydrophobicContact CZ3-CB 4.48Å; W1490-V1515 HydrophobicContact CZ3-CG1 4.26Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.29Å; L1511-V1515 PolarHBondContact O-N 3.16Å; L1512-V1515 PolarHBondContact O-N 3.17Å; V1515-A1517 PolarHBondContact O-N 3.05Å; V1515-Q1518 PolarHBondContact O-N 3.16Å; V1515-L1519 HydrophobicContact CG1-CD1 3.68Å; V1515-L1519 HydrophobicContact CG1-CG 4.21Å; V1515-L1519 WeakPolarHBondContact O-CB 3.38Å; V1515-L1519 VanDerWaalsContact O-CG 3.27Å; V1515-L1519 WeakPolarHBondContact O-CG 3.33Å; V1515-L1519 PolarHBondContact O-N 3.36Å |
| 1516 | L | 88.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 176.6 | -80 | 173.4 | 0 | 0 | 0 | 113 | F1488 A1491 L1495 L1512 A1513 N1514 Q1518 L1519 T1520 L1540 V1575 | F1488-L1516 HydrophobicContact CD1-CD2 4.38Å; F1488-L1516 HydrophobicContact CE1-CD2 4.44Å; A1491-L1516 HydrophobicContact CB-CD1 4.15Å; A1491-L1516 HydrophobicContact CB-CD2 3.55Å; A1491-L1516 VanDerWaalsContact CB-CD2 3.49Å; A1491-L1516 HydrophobicContact CB-CG 3.92Å; L1495-L1516 HydrophobicContact CD1-CD1 3.9Å; L1495-L1516 HydrophobicContact CD2-CD1 4.46Å; L1495-L1516 HydrophobicContact CG-CD1 4.41Å; L1512-L1516 HydrophobicContact CD1-CD1 4.23Å; L1512-L1516 HydrophobicContact CD1-CG 4.42Å; L1512-L1516 HydrophobicContact CG-CD1 4.24Å; L1512-L1516 WeakPolarHBondContact O-CB 3.3Å; L1512-L1516 WeakPolarHBondContact O-CG 3.38Å; L1512-L1516 PolarHBondContact O-N 3.22Å; A1513-L1516 PolarHBondContact O-N 3.16Å; N1514-L1516 VanDerWaalsContact C-N 3.31Å; N1514-L1516 PolarHBondContact O-N 3.3Å; L1516-Q1518 VanDerWaalsContact C-N 3.27Å; L1516-Q1518 PolarHBondContact O-N 3.16Å; L1516-L1519 HydrophobicContact CD2-CD1 4.41Å; L1516-L1519 PolarHBondContact O-N 3.15Å; L1516-T1520 WeakPolarHBondContact O-CB 3.37Å; L1516-T1520 VanDerWaalsContact O-CG2 3.31Å; L1516-T1520 WeakPolarHBondContact O-CG2 3.38Å; L1516-T1520 PolarHBondContact O-N 3.07Å; L1516-T1520 PolarHBondContact O-OG1 3.14Å; L1516-L1540 HydrophobicContact CD1-CD1 3.98Å; L1516-L1540 HydrophobicContact CD1-CD2 4.41Å; L1516-L1540 HydrophobicContact CD2-CD1 3.73Å; L1516-L1540 HydrophobicContact CD2-CD2 3.97Å; L1516-L1540 HydrophobicContact CD2-CG 4.49Å; L1516-L1540 HydrophobicContact CG-CD1 4.5Å; L1516-V1575 HydrophobicContact CB-CG1 4.45Å; L1516-V1575 HydrophobicContact CB-CG2 3.65Å |
| 1517 | A | 87.3 | Confident | 80.6 | Confident | 10.8 Ų | 10.8 | 28.6 Ų | 28.6 | 9% | 0.089 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1513 N1514 V1515 T1520 S1521 L1571 T1574 V1575 N1578 | A1513-A1517 WeakPolarHBondContact O-CB 3.36Å; A1513-A1517 PolarHBondContact O-N 3.11Å; N1514-A1517 PolarHBondContact O-N 3.05Å; N1514-A1517 VanDerWaalsContact O-N 3.13Å; V1515-A1517 PolarHBondContact O-N 3.05Å; A1517-T1520 PolarHBondContact O-OG1 3.28Å; A1517-S1521 PolarHBondContact O-N 3.17Å; A1517-L1571 HydrophobicContact CB-CD2 4.08Å; A1517-T1574 HydrophobicContact CB-CG2 4.32Å; A1517-V1575 HydrophobicContact CB-CG2 4.03Å; A1517-V1575 VanDerWaalsContact N-CG2 3.32Å; A1517-N1578 PolarHBondContact O-ND2 3.29Å |
| 1518 | Q | 85 | Confident | 79.8 | Confident | 26.8 Ų | 26.8 | 24.9 Ų | 24.9 | 13% | 0.125 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72.8 | -46.7 | 175.7 | -64.6 | -178.9 | -2 | 0 | 0 | 112.3 | S1445 F1448 N1449 N1514 V1515 L1516 T1520 S1521 F1524 | S1445-Q1518 VanDerWaalsContact CA-OE1 3.28Å; S1445-Q1518 VanDerWaalsContact O-CD 3.24Å; S1445-Q1518 PolarHBondContact O-NE2 3.1Å; S1445-Q1518 VanDerWaalsContact O-NE2 3.15Å; S1445-Q1518 PolarHBondContact O-OE1 3.18Å; S1445-Q1518 PolarHBondContact OG-NE2 3.12Å; S1445-Q1518 VanDerWaalsContact OG-NE2 3.14Å; F1448-Q1518 VanDerWaalsContact C-OE1 3.29Å; F1448-Q1518 HydrophobicContact CB-CB 3.99Å; N1449-Q1518 PolarHBondContact ND2-NE2 3.01Å; N1449-Q1518 VanDerWaalsContact ND2-NE2 3.19Å; N1449-Q1518 PolarHBondContact OD1-NE2 3.37Å; N1514-Q1518 VanDerWaalsContact CG-NE2 3.32Å; N1514-Q1518 PolarHBondContact ND2-NE2 3.33Å; N1514-Q1518 VanDerWaalsContact O-CG 3.32Å; N1514-Q1518 WeakPolarHBondContact O-CG 3.3Å; N1514-Q1518 PolarHBondContact O-N 3.21Å; N1514-Q1518 VanDerWaalsContact O-N 3.09Å; N1514-Q1518 PolarHBondContact OD1-NE2 3.01Å; V1515-Q1518 PolarHBondContact O-N 3.16Å; L1516-Q1518 VanDerWaalsContact C-N 3.27Å; L1516-Q1518 PolarHBondContact O-N 3.16Å; Q1518-T1520 VanDerWaalsContact C-N 3.27Å; Q1518-T1520 PolarHBondContact O-N 3.32Å; Q1518-S1521 VanDerWaalsContact O-CB 3.27Å; Q1518-S1521 WeakPolarHBondContact O-CB 3.39Å; Q1518-S1521 PolarHBondContact O-N 3.38Å; Q1518-S1521 VanDerWaalsContact O-N 3.09Å; Q1518-S1521 PolarHBondContact O-OG 3.31Å; Q1518-F1524 VanDerWaalsContact O-CD2 3.29Å; Q1518-F1524 WeakPolarHBondContact O-CD2 3.35Å |
| 1519 | L | 83.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -34.7 | 178 | -75.8 | 170.7 | 0 | 0 | 0 | 112.9 | F1448 Y1484 C1487 F1488 V1515 L1516 S1521 V1528 | F1448-L1519 HydrophobicContact CD1-CD2 4.21Å; F1448-L1519 HydrophobicContact CD2-CD2 4.05Å; F1448-L1519 HydrophobicContact CD2-CG 4.31Å; F1448-L1519 HydrophobicContact CE1-CD2 3.78Å; F1448-L1519 HydrophobicContact CE2-CD2 3.61Å; F1448-L1519 HydrophobicContact CE2-CG 4.17Å; F1448-L1519 HydrophobicContact CG-CD2 4.35Å; F1448-L1519 HydrophobicContact CZ-CD2 3.48Å; F1448-L1519 VanDerWaalsContact CZ-CD2 3.45Å; F1448-L1519 HydrophobicContact CZ-CG 4.46Å; Y1484-L1519 HydrophobicContact CD1-CD2 3.62Å; Y1484-L1519 HydrophobicContact CE1-CD2 3.93Å; Y1484-L1519 HydrophobicContact CG-CD2 4.43Å; C1487-L1519 HydrophobicContact CB-CD1 3.76Å; C1487-L1519 HydrophobicContact CB-CD2 4.33Å; F1488-L1519 HydrophobicContact CE1-CB 4.11Å; F1488-L1519 HydrophobicContact CE1-CD1 4.48Å; F1488-L1519 HydrophobicContact CE2-CB 4.44Å; F1488-L1519 HydrophobicContact CZ-CB 3.9Å; V1515-L1519 HydrophobicContact CG1-CD1 3.68Å; V1515-L1519 HydrophobicContact CG1-CG 4.21Å; V1515-L1519 WeakPolarHBondContact O-CB 3.38Å; V1515-L1519 VanDerWaalsContact O-CG 3.27Å; V1515-L1519 WeakPolarHBondContact O-CG 3.33Å; V1515-L1519 PolarHBondContact O-N 3.36Å; L1516-L1519 HydrophobicContact CD2-CD1 4.41Å; L1516-L1519 PolarHBondContact O-N 3.15Å; L1519-S1521 VanDerWaalsContact C-N 3.33Å; L1519-V1528 WeakPolarHBondContact O-CG2 3.31Å |
| 1520 | T | 83.3 | Confident | 77.9 | Confident | 0.6 Ų | 0.6 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.4 | 179.2 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | F1488 L1516 A1517 Q1518 L1540 V1575 N1578 L1579 | F1488-T1520 HydrophobicContact CE1-CG2 4.11Å; F1488-T1520 HydrophobicContact CZ-CG2 4.47Å; L1516-T1520 WeakPolarHBondContact O-CB 3.37Å; L1516-T1520 VanDerWaalsContact O-CG2 3.31Å; L1516-T1520 WeakPolarHBondContact O-CG2 3.38Å; L1516-T1520 PolarHBondContact O-N 3.07Å; L1516-T1520 PolarHBondContact O-OG1 3.14Å; A1517-T1520 PolarHBondContact O-OG1 3.28Å; Q1518-T1520 VanDerWaalsContact C-N 3.27Å; Q1518-T1520 PolarHBondContact O-N 3.32Å; T1520-L1540 HydrophobicContact CG2-CD2 4.26Å; T1520-V1575 HydrophobicContact CG2-CG1 4.21Å; T1520-N1578 VanDerWaalsContact O-CB 3.25Å; T1520-N1578 WeakPolarHBondContact O-CB 3.3Å; T1520-N1578 PolarHBondContact OG1-ND2 3.2Å; T1520-L1579 HydrophobicContact CG2-CD1 4.29Å; T1520-L1579 HydrophobicContact CG2-CD2 3.59Å; T1520-L1579 HydrophobicContact CG2-CG 3.83Å |
| 1521 | S | 81.7 | Confident | 76.8 | Confident | 15.4 Ų | 15.4 | 30.9 Ų | 30.9 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | trans | -49.7 | 142.3 | -178 | 142.3 | 0 | 0 | 0 | 0 | 111.8 | A1517 Q1518 L1519 K1523 F1524 | A1517-S1521 PolarHBondContact O-N 3.17Å; Q1518-S1521 VanDerWaalsContact O-CB 3.27Å; Q1518-S1521 WeakPolarHBondContact O-CB 3.39Å; Q1518-S1521 PolarHBondContact O-N 3.38Å; Q1518-S1521 VanDerWaalsContact O-N 3.09Å; Q1518-S1521 PolarHBondContact O-OG 3.31Å; L1519-S1521 VanDerWaalsContact C-N 3.33Å; S1521-K1523 PolarHBondContact O-N 2.84Å; S1521-K1523 PolarHBondContact OG-N 2.87Å; S1521-F1524 PolarHBondContact O-N 3.16Å; S1521-F1524 WeakPolarHBondContact OG-CD2 3.34Å | ||
| 1522 | P | 70.9 | Confident | 75.5 | Confident | 65.6 Ų | 65.6 | 31.3 Ų | 31.3 | 43% | 0.426 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -59 | -16.5 | -177.7 | 23.2 | -34.2 | 0 | 0 | 0 | 114 | F1524 K1525 | P1522-F1524 VanDerWaalsContact C-N 3.32Å; P1522-K1525 WeakPolarHBondContact O-CB 3.42Å; P1522-K1525 PolarHBondContact O-N 3.09Å |
| 1523 | K | 69.2 | Low | 74 | Confident | 64.6 Ų | 64.6 | 37.9 Ų | 37.9 | 28% | 0.281 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -72 | -31.6 | 174.8 | -64.4 | 176.1 | -178.5 | 164.9 | 0 | 113.2 | D1452 Y1455 N1456 S1521 K1525 | D1452-K1523 PolarHBondContact O-NZ 3.06Å; D1452-K1523 WeakPolarHBondContact OD1-CD 3.29Å; D1452-K1523 WeakPolarHBondContact OD1-CE 3.36Å; D1452-K1523 IonicContact OD1-NZ 3.16Å; D1452-K1523 PolarHBondContact OD1-NZ 3Å; D1452-K1523 IonicContact OD2-NZ 3.43Å; D1452-K1523 PolarHBondContact OD2-NZ 3.27Å; Y1455-K1523 HydrophobicContact CD1-CB 4.46Å; N1456-K1523 PolarHBondContact ND2-NZ 3.12Å; N1456-K1523 VanDerWaalsContact ND2-NZ 3.14Å; N1456-K1523 VanDerWaalsContact OD1-CE 3.25Å; N1456-K1523 WeakPolarHBondContact OD1-CE 3.31Å; N1456-K1523 PolarHBondContact OD1-NZ 3.16Å; S1521-K1523 PolarHBondContact O-N 2.84Å; S1521-K1523 PolarHBondContact OG-N 2.87Å; K1523-K1525 VanDerWaalsContact C-N 3.27Å; K1523-K1525 PolarHBondContact O-N 3.23Å |
| 1524 | F | 70.1 | Confident | 72.7 | Confident | 2.2 Ų | 2.2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -89.7 | 15.4 | 174.4 | -56.9 | -61.6 | 0 | 0 | 0 | 112.2 | I1451 Y1455 Y1484 Q1518 S1521 P1522 E1526 I1527 V1528 | I1451-F1524 HydrophobicContact CB-CZ 4.44Å; I1451-F1524 HydrophobicContact CG2-CE1 4.02Å; I1451-F1524 HydrophobicContact CG2-CZ 3.86Å; Y1455-F1524 AromaticContact CD2-CE1 3.88Å; Y1455-F1524 HydrophobicContact CD2-CE1 4.15Å; Y1455-F1524 HydrophobicContact CD2-CZ 4.03Å; Y1455-F1524 AromaticContact CE2-CE1 3.75Å; Y1455-F1524 HydrophobicContact CE2-CE1 3.81Å; Y1455-F1524 HydrophobicContact CE2-CZ 4.09Å; Y1484-F1524 HydrophobicContact CE1-CB 4.41Å; Y1484-F1524 AromaticContact CE1-CD1 3.98Å; Y1484-F1524 HydrophobicContact CE1-CD1 4.16Å; Y1484-F1524 HydrophobicContact CE1-CD2 4.5Å; Y1484-F1524 HydrophobicContact CE1-CE1 4.39Å; Y1484-F1524 HydrophobicContact CE1-CG 4.19Å; Y1484-F1524 AromaticContact CZ-CD1 3.97Å; Y1484-F1524 VanDerWaalsContact OH-CD1 3.27Å; Y1484-F1524 WeakPolarHBondContact OH-CD1 3.4Å; Y1484-F1524 WeakPolarHBondContact OH-CE1 3.36Å; Q1518-F1524 VanDerWaalsContact O-CD2 3.29Å; Q1518-F1524 WeakPolarHBondContact O-CD2 3.35Å; S1521-F1524 PolarHBondContact O-N 3.16Å; S1521-F1524 WeakPolarHBondContact OG-CD2 3.34Å; P1522-F1524 VanDerWaalsContact C-N 3.32Å; F1524-E1526 VanDerWaalsContact C-N 3.29Å; F1524-E1526 PolarHBondContact O-N 3.1Å; F1524-I1527 HydrophobicContact CD1-CD1 3.95Å; F1524-I1527 WeakPolarHBondContact O-CA 3.43Å; F1524-I1527 WeakPolarHBondContact O-CB 3.36Å; F1524-I1527 PolarHBondContact O-N 3.31Å; F1524-V1528 HydrophobicContact CB-CG2 4.47Å; F1524-V1528 WeakPolarHBondContact O-CG2 3.43Å; F1524-V1528 PolarHBondContact O-N 3.21Å |
| 1525 | K | 68.4 | Low | 71.8 | Confident | 47 Ų | 47 | 40.6 Ų | 40.6 | 20% | 0.204 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.9 | -43.6 | -177.3 | 179.4 | 179.9 | 177.8 | -175.5 | 0 | 112.5 | P1522 K1523 I1527 V1528 L1529 T1582 V1585 | P1522-K1525 WeakPolarHBondContact O-CB 3.42Å; P1522-K1525 PolarHBondContact O-N 3.09Å; K1523-K1525 VanDerWaalsContact C-N 3.27Å; K1523-K1525 PolarHBondContact O-N 3.23Å; K1525-I1527 VanDerWaalsContact C-N 3.33Å; K1525-I1527 PolarHBondContact O-N 3.12Å; K1525-V1528 PolarHBondContact O-N 3.05Å; K1525-L1529 HydrophobicContact CG-CD1 3.9Å; K1525-L1529 HydrophobicContact CG-CG 4.34Å; K1525-L1529 VanDerWaalsContact O-CB 3.3Å; K1525-L1529 WeakPolarHBondContact O-CB 3.31Å; K1525-L1529 WeakPolarHBondContact O-CD1 3.45Å; K1525-L1529 WeakPolarHBondContact O-CG 3.19Å; K1525-L1529 PolarHBondContact O-N 3.19Å; K1525-T1582 HydrophobicContact CG-CG2 3.89Å; K1525-V1585 VanDerWaalsContact NZ-CB 3.32Å |
| 1526 | E | 64.3 | Low | 71.1 | Confident | 132 Ų | 132 | 42.1 Ų | 42.1 | 62% | 0.617 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.5 | -41.4 | 177.9 | -83.1 | -174.3 | 173.6 | 0 | 0 | 112 | F1524 L1529 I1530 | F1524-E1526 VanDerWaalsContact C-N 3.29Å; F1524-E1526 PolarHBondContact O-N 3.1Å; E1526-L1529 CarbonylContact O-C 3.5Å; E1526-L1529 WeakPolarHBondContact O-CB 3.35Å; E1526-L1529 PolarHBondContact O-N 3.23Å; E1526-I1530 HydrophobicContact CG-CD1 3.95Å; E1526-I1530 WeakPolarHBondContact O-CB 3.36Å; E1526-I1530 WeakPolarHBondContact O-CD1 3.4Å; E1526-I1530 VanDerWaalsContact O-CG1 3.24Å; E1526-I1530 WeakPolarHBondContact O-CG1 3.34Å; E1526-I1530 PolarHBondContact O-N 3.05Å |
| 1527 | I | 66.2 | Low | 70.5 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66 | -46.2 | 178.3 | -59.3 | 178.8 | 0 | 0 | 0 | 110.4 | C1479 F1481 Y1484 F1524 K1525 L1529 I1530 L1531 | C1479-I1527 HydrophobicContact CB-CD1 3.92Å; F1481-I1527 HydrophobicContact CD1-CG2 4.06Å; F1481-I1527 HydrophobicContact CE1-CB 4.38Å; F1481-I1527 HydrophobicContact CE1-CG1 4.16Å; F1481-I1527 HydrophobicContact CE1-CG2 4.27Å; Y1484-I1527 HydrophobicContact CD1-CG2 3.88Å; Y1484-I1527 HydrophobicContact CD2-CD1 4.28Å; Y1484-I1527 HydrophobicContact CD2-CG2 3.89Å; Y1484-I1527 HydrophobicContact CE1-CD1 4.28Å; Y1484-I1527 HydrophobicContact CE1-CG2 4.21Å; Y1484-I1527 HydrophobicContact CE2-CD1 3.85Å; Y1484-I1527 HydrophobicContact CE2-CG2 4.32Å; Y1484-I1527 HydrophobicContact CG-CG2 3.68Å; F1524-I1527 HydrophobicContact CD1-CD1 3.95Å; F1524-I1527 WeakPolarHBondContact O-CA 3.43Å; F1524-I1527 WeakPolarHBondContact O-CB 3.36Å; F1524-I1527 PolarHBondContact O-N 3.31Å; K1525-I1527 VanDerWaalsContact C-N 3.33Å; K1525-I1527 PolarHBondContact O-N 3.12Å; I1527-L1529 VanDerWaalsContact C-N 3.27Å; I1527-L1529 PolarHBondContact O-N 3.14Å; I1527-I1530 PolarHBondContact O-N 3.07Å; I1527-I1530 VanDerWaalsContact O-N 3.13Å; I1527-L1531 HydrophobicContact CG2-CD1 3.68Å; I1527-L1531 HydrophobicContact CG2-CG 4.4Å; I1527-L1531 VanDerWaalsContact O-CB 3.3Å; I1527-L1531 WeakPolarHBondContact O-CB 3.42Å; I1527-L1531 WeakPolarHBondContact O-CD1 3.08Å; I1527-L1531 VanDerWaalsContact O-CG 3.25Å; I1527-L1531 WeakPolarHBondContact O-CG 3.38Å; I1527-L1531 PolarHBondContact O-N 2.9Å |
| 1528 | V | 65.3 | Low | 69.9 | Low | 3.2 Ų | 3.2 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -36.4 | 176.1 | 175 | 0 | 0 | 0 | 0 | 111.1 | F1488 L1519 F1524 K1525 N1532 I1537 L1579 T1582 | F1488-V1528 HydrophobicContact CE2-CG2 4.38Å; F1488-V1528 HydrophobicContact CZ-CG2 4.03Å; L1519-V1528 WeakPolarHBondContact O-CG2 3.31Å; F1524-V1528 HydrophobicContact CB-CG2 4.47Å; F1524-V1528 WeakPolarHBondContact O-CG2 3.43Å; F1524-V1528 PolarHBondContact O-N 3.21Å; K1525-V1528 PolarHBondContact O-N 3.05Å; V1528-N1532 VanDerWaalsContact O-CB 3.26Å; V1528-N1532 WeakPolarHBondContact O-CB 3.36Å; V1528-N1532 PolarHBondContact O-N 3.21Å; V1528-I1537 HydrophobicContact CG1-CD1 3.7Å; V1528-I1537 VanDerWaalsContact CG1-CD1 3.47Å; V1528-I1537 HydrophobicContact CG1-CG1 4.36Å; V1528-L1579 HydrophobicContact CG1-CD2 4.43Å; V1528-T1582 HydrophobicContact CG1-CG2 4.24Å |
| 1529 | L | 65.7 | Low | 69.6 | Low | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.288 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.1 | -37.7 | 175.8 | -73 | 172.6 | 0 | 0 | 0 | 113 | K1525 E1526 I1527 N1532 T1582 Q1586 | K1525-L1529 HydrophobicContact CG-CD1 3.9Å; K1525-L1529 HydrophobicContact CG-CG 4.34Å; K1525-L1529 VanDerWaalsContact O-CB 3.3Å; K1525-L1529 WeakPolarHBondContact O-CB 3.31Å; K1525-L1529 WeakPolarHBondContact O-CD1 3.45Å; K1525-L1529 WeakPolarHBondContact O-CG 3.19Å; K1525-L1529 PolarHBondContact O-N 3.19Å; E1526-L1529 CarbonylContact O-C 3.5Å; E1526-L1529 WeakPolarHBondContact O-CB 3.35Å; E1526-L1529 PolarHBondContact O-N 3.23Å; I1527-L1529 VanDerWaalsContact C-N 3.27Å; I1527-L1529 PolarHBondContact O-N 3.14Å; L1529-N1532 VanDerWaalsContact O-CB 3.25Å; L1529-N1532 WeakPolarHBondContact O-CB 3.22Å; L1529-N1532 PolarHBondContact O-N 3.09Å; L1529-T1582 HydrophobicContact CD1-CG2 4.38Å; L1529-T1582 HydrophobicContact CD2-CG2 3.75Å; L1529-T1582 HydrophobicContact CG-CG2 3.9Å; L1529-Q1586 HydrophobicContact CD2-CG 4.06Å |
| 1530 | I | 64.9 | Low | 69.7 | Low | 106.4 Ų | 106.4 | 45.5 Ų | 45.5 | 55% | 0.546 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -71 | -39.5 | 178.8 | -70.9 | 163.6 | 0 | 0 | 0 | 110.9 | F1481 E1526 I1527 N1532 | F1481-I1530 HydrophobicContact CD1-CB 4.43Å; F1481-I1530 HydrophobicContact CD1-CG2 4.03Å; F1481-I1530 HydrophobicContact CE1-CB 4.05Å; F1481-I1530 HydrophobicContact CE1-CD1 3.65Å; F1481-I1530 HydrophobicContact CE1-CG1 4.44Å; F1481-I1530 HydrophobicContact CE1-CG2 3.84Å; F1481-I1530 HydrophobicContact CZ-CD1 3.77Å; F1481-I1530 HydrophobicContact CZ-CG2 4.32Å; E1526-I1530 HydrophobicContact CG-CD1 3.95Å; E1526-I1530 WeakPolarHBondContact O-CB 3.36Å; E1526-I1530 WeakPolarHBondContact O-CD1 3.4Å; E1526-I1530 VanDerWaalsContact O-CG1 3.24Å; E1526-I1530 WeakPolarHBondContact O-CG1 3.34Å; E1526-I1530 PolarHBondContact O-N 3.05Å; I1527-I1530 PolarHBondContact O-N 3.07Å; I1527-I1530 VanDerWaalsContact O-N 3.13Å; I1530-N1532 PolarHBondContact O-N 3.3Å; I1530-N1532 VanDerWaalsContact O-N 3.14Å |
| 1531 | L | 62.7 | Low | 69.8 | Low | 27.2 Ų | 27.2 | 45.5 Ų | 45.5 | 14% | 0.142 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -3.2 | 176.4 | -70.9 | 166.3 | 0 | 0 | 0 | 113.6 | F1481 Y1484 E1485 F1488 I1527 D1533 | F1481-L1531 HydrophobicContact CB-CD2 4.32Å; F1481-L1531 HydrophobicContact CD1-CG 4.47Å; F1481-L1531 WeakPolarHBondContact O-CD2 3.29Å; Y1484-L1531 VanDerWaalsContact CB-CD1 3.45Å; Y1484-L1531 HydrophobicContact CG-CD1 4.33Å; E1485-L1531 HydrophobicContact CB-CD2 3.81Å; E1485-L1531 HydrophobicContact CG-CD2 4.24Å; F1488-L1531 HydrophobicContact CD2-CD1 4.11Å; F1488-L1531 HydrophobicContact CE2-CD1 4.1Å; I1527-L1531 HydrophobicContact CG2-CD1 3.68Å; I1527-L1531 HydrophobicContact CG2-CG 4.4Å; I1527-L1531 VanDerWaalsContact O-CB 3.3Å; I1527-L1531 WeakPolarHBondContact O-CB 3.42Å; I1527-L1531 WeakPolarHBondContact O-CD1 3.08Å; I1527-L1531 VanDerWaalsContact O-CG 3.25Å; I1527-L1531 WeakPolarHBondContact O-CG 3.38Å; I1527-L1531 PolarHBondContact O-N 2.9Å; L1531-D1533 PolarHBondContact O-N 3.19Å; L1531-D1533 VanDerWaalsContact O-N 3.16Å |
| 1532 | N | 58 | Low | 69.9 | Low | 34.2 Ų | 34.2 | 46.5 Ų | 46.5 | 18% | 0.183 | 23% | 0.234 | C | C | . | . | trans | -87.9 | 82.2 | -170.6 | -165.9 | 38.2 | 0 | 0 | 0 | 112.5 | V1528 L1529 I1530 G1534 I1536 I1537 Q1586 Y1618 | V1528-N1532 VanDerWaalsContact O-CB 3.26Å; V1528-N1532 WeakPolarHBondContact O-CB 3.36Å; V1528-N1532 PolarHBondContact O-N 3.21Å; L1529-N1532 VanDerWaalsContact O-CB 3.25Å; L1529-N1532 WeakPolarHBondContact O-CB 3.22Å; L1529-N1532 PolarHBondContact O-N 3.09Å; I1530-N1532 PolarHBondContact O-N 3.3Å; I1530-N1532 VanDerWaalsContact O-N 3.14Å; N1532-G1534 VanDerWaalsContact C-N 3.3Å; N1532-G1534 VanDerWaalsContact ND2-CA 3.33Å; N1532-G1534 WeakPolarHBondContact ND2-CA 3.27Å; N1532-G1534 PolarHBondContact ND2-N 3.33Å; N1532-G1534 PolarHBondContact O-N 3.17Å; N1532-G1534 VanDerWaalsContact O-N 3.13Å; N1532-G1534 WeakPolarHBondContact OD1-CA 3.36Å; N1532-G1534 PolarHBondContact OD1-N 2.83Å; N1532-I1536 PolarHBondContact OD1-N 2.75Å; N1532-I1537 HydrophobicContact CB-CD1 4Å; N1532-I1537 HydrophobicContact CB-CG1 4.3Å; N1532-I1537 VanDerWaalsContact CG-CD1 3.49Å; N1532-I1537 VanDerWaalsContact CG-CG1 3.43Å; N1532-I1537 WeakPolarHBondContact ND2-CB 3.26Å; N1532-I1537 WeakPolarHBondContact ND2-CD1 3.42Å; N1532-I1537 VanDerWaalsContact ND2-CG1 3.31Å; N1532-I1537 WeakPolarHBondContact ND2-CG1 3.5Å; N1532-I1537 VanDerWaalsContact OD1-CD1 3.27Å; N1532-I1537 WeakPolarHBondContact OD1-CD1 3.33Å; N1532-I1537 VanDerWaalsContact OD1-CG1 3.31Å; N1532-I1537 WeakPolarHBondContact OD1-CG1 3.5Å; N1532-I1537 PolarHBondContact OD1-N 3.46Å; N1532-Q1586 PolarHBondContact ND2-NE2 3.15Å; N1532-Y1618 PolarHBondContact OD1-OH 3.45Å | ||
| 1533 | D | 56.6 | Low | 70.7 | Confident | 141.4 Ų | 141.4 | 44.7 Ų | 44.7 | 76% | 0.756 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -72.2 | 56.5 | 149.1 | -80.5 | -18.9 | 0 | 0 | 0 | 109 | L1531 E1535 I1536 | L1531-D1533 PolarHBondContact O-N 3.19Å; L1531-D1533 VanDerWaalsContact O-N 3.16Å; D1533-E1535 CarbonylContact O-C 3.59Å; D1533-E1535 PolarHBondContact O-N 3.23Å; D1533-I1536 PolarHBondContact O-N 3.16Å |
| 1534 | G | 59.6 | Low | 71.7 | Confident | 13.4 Ų | 13.4 | 41.7 Ų | 41.7 | 14% | 0.138 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 31 | -23.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1532 G1538 Y1618 | N1532-G1534 VanDerWaalsContact C-N 3.3Å; N1532-G1534 VanDerWaalsContact ND2-CA 3.33Å; N1532-G1534 WeakPolarHBondContact ND2-CA 3.27Å; N1532-G1534 PolarHBondContact ND2-N 3.33Å; N1532-G1534 PolarHBondContact O-N 3.17Å; N1532-G1534 VanDerWaalsContact O-N 3.13Å; N1532-G1534 WeakPolarHBondContact OD1-CA 3.36Å; N1532-G1534 PolarHBondContact OD1-N 2.83Å; G1534-G1538 PolarHBondContact O-N 3.18Å; G1534-Y1618 VanDerWaalsContact C-OH 3.3Å; G1534-Y1618 WeakPolarHBondContact CA-OH 3.43Å; G1534-Y1618 PolarHBondContact O-OH 3.21Å; G1534-Y1618 VanDerWaalsContact O-OH 3.06Å |
| 1535 | E | 68.7 | Low | 72.5 | Confident | 91.6 Ų | 91.6 | 41.6 Ų | 41.6 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 179.8 | -97.9 | -161.5 | 154.8 | 0 | 0 | 114.7 | D1533 R1539 K1617 | D1533-E1535 CarbonylContact O-C 3.59Å; D1533-E1535 PolarHBondContact O-N 3.23Å; E1535-R1539 VanDerWaalsContact CD-CZ 3.47Å; E1535-R1539 VanDerWaalsContact O-CB 3.26Å; E1535-R1539 WeakPolarHBondContact O-CB 3.19Å; E1535-R1539 WeakPolarHBondContact O-CD 3.33Å; E1535-R1539 VanDerWaalsContact O-CG 3.25Å; E1535-R1539 WeakPolarHBondContact O-CG 3.33Å; E1535-R1539 PolarHBondContact O-N 3.18Å; E1535-R1539 VanDerWaalsContact O-N 3.09Å; E1535-R1539 PolarHBondContact O-NE 3.2Å; E1535-R1539 IonicContact OE1-CZ 2.76Å; E1535-R1539 IonicContact OE1-NE 3.16Å; E1535-R1539 PolarHBondContact OE1-NE 3.17Å; E1535-R1539 IonicContact OE1-NH2 3.06Å; E1535-R1539 PolarHBondContact OE1-NH2 3.27Å; E1535-R1539 IonicContact OE2-CZ 3.01Å; E1535-R1539 IonicContact OE2-NH2 3.03Å; E1535-R1539 PolarHBondContact OE2-NH2 2.87Å; E1535-K1617 IonicContact OE1-NZ 3.25Å; E1535-K1617 PolarHBondContact OE1-NZ 3.33Å |
| 1536 | I | 73.6 | Confident | 73.4 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.6 | -48.9 | -175.5 | -63.5 | 175.5 | 0 | 0 | 0 | 110.3 | F1488 N1532 D1533 G1538 R1539 L1540 | F1488-I1536 HydrophobicContact CB-CG2 3.9Å; F1488-I1536 HydrophobicContact CD1-CG2 4.27Å; F1488-I1536 HydrophobicContact CG-CG2 4.32Å; N1532-I1536 PolarHBondContact OD1-N 2.75Å; D1533-I1536 PolarHBondContact O-N 3.16Å; I1536-G1538 PolarHBondContact O-N 3.06Å; I1536-R1539 WeakPolarHBondContact O-CB 3.45Å; I1536-R1539 PolarHBondContact O-N 3.2Å; I1536-L1540 HydrophobicContact CG2-CD1 3.95Å; I1536-L1540 WeakPolarHBondContact O-CB 3.18Å; I1536-L1540 WeakPolarHBondContact O-CG 3.35Å; I1536-L1540 PolarHBondContact O-N 3.14Å |
| 1537 | I | 75.1 | Confident | 74.4 | Confident | 8.2 Ų | 8.2 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 178.6 | -62.8 | -176.8 | 0 | 0 | 0 | 110.4 | V1528 N1532 R1539 L1540 I1541 L1579 L1583 Y1618 | V1528-I1537 HydrophobicContact CG1-CD1 3.7Å; V1528-I1537 VanDerWaalsContact CG1-CD1 3.47Å; V1528-I1537 HydrophobicContact CG1-CG1 4.36Å; N1532-I1537 HydrophobicContact CB-CD1 4Å; N1532-I1537 HydrophobicContact CB-CG1 4.3Å; N1532-I1537 VanDerWaalsContact CG-CD1 3.49Å; N1532-I1537 VanDerWaalsContact CG-CG1 3.43Å; N1532-I1537 WeakPolarHBondContact ND2-CB 3.26Å; N1532-I1537 WeakPolarHBondContact ND2-CD1 3.42Å; N1532-I1537 VanDerWaalsContact ND2-CG1 3.31Å; N1532-I1537 WeakPolarHBondContact ND2-CG1 3.5Å; N1532-I1537 VanDerWaalsContact OD1-CD1 3.27Å; N1532-I1537 WeakPolarHBondContact OD1-CD1 3.33Å; N1532-I1537 VanDerWaalsContact OD1-CG1 3.31Å; N1532-I1537 WeakPolarHBondContact OD1-CG1 3.5Å; N1532-I1537 PolarHBondContact OD1-N 3.46Å; I1537-R1539 VanDerWaalsContact C-N 3.32Å; I1537-R1539 PolarHBondContact O-N 2.97Å; I1537-L1540 PolarHBondContact O-N 2.97Å; I1537-L1540 VanDerWaalsContact O-N 3.16Å; I1537-I1541 HydrophobicContact CG2-CD1 3.73Å; I1537-I1541 HydrophobicContact CG2-CG1 4.27Å; I1537-I1541 WeakPolarHBondContact O-CG1 3.38Å; I1537-I1541 PolarHBondContact O-N 3.01Å; I1537-L1579 HydrophobicContact CG1-CD2 4.37Å; I1537-L1579 HydrophobicContact CG2-CD2 4.17Å; I1537-L1583 HydrophobicContact CG2-CD1 4.04Å; I1537-L1583 HydrophobicContact CG2-CD2 4.3Å; I1537-L1583 HydrophobicContact CG2-CG 4.28Å; I1537-Y1618 HydrophobicContact CB-CE1 4.26Å; I1537-Y1618 HydrophobicContact CG2-CE1 4.18Å |
| 1538 | G | 74.8 | Confident | 75.4 | Confident | 2.4 Ų | 2.4 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1534 I1536 N1542 | G1534-G1538 PolarHBondContact O-N 3.18Å; I1536-G1538 PolarHBondContact O-N 3.06Å; G1538-N1542 WeakPolarHBondContact O-CB 3.27Å; G1538-N1542 VanDerWaalsContact O-CG 3.3Å; G1538-N1542 PolarHBondContact O-N 3.24Å; G1538-N1542 VanDerWaalsContact O-N 3.17Å; G1538-N1542 PolarHBondContact O-ND2 3.02Å |
| 1539 | R | 79.8 | Confident | 76.3 | Confident | 98 Ų | 98 | 37.9 Ų | 37.9 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.2 | -51.3 | 171.9 | -76.9 | 173 | -137.7 | -177.9 | 0.1 | 110.6 | E1535 I1536 I1537 I1541 N1542 H1543 | E1535-R1539 VanDerWaalsContact CD-CZ 3.47Å; E1535-R1539 VanDerWaalsContact O-CB 3.26Å; E1535-R1539 WeakPolarHBondContact O-CB 3.19Å; E1535-R1539 WeakPolarHBondContact O-CD 3.33Å; E1535-R1539 VanDerWaalsContact O-CG 3.25Å; E1535-R1539 WeakPolarHBondContact O-CG 3.33Å; E1535-R1539 PolarHBondContact O-N 3.18Å; E1535-R1539 VanDerWaalsContact O-N 3.09Å; E1535-R1539 PolarHBondContact O-NE 3.2Å; E1535-R1539 IonicContact OE1-CZ 2.76Å; E1535-R1539 IonicContact OE1-NE 3.16Å; E1535-R1539 PolarHBondContact OE1-NE 3.17Å; E1535-R1539 IonicContact OE1-NH2 3.06Å; E1535-R1539 PolarHBondContact OE1-NH2 3.27Å; E1535-R1539 IonicContact OE2-CZ 3.01Å; E1535-R1539 IonicContact OE2-NH2 3.03Å; E1535-R1539 PolarHBondContact OE2-NH2 2.87Å; I1536-R1539 WeakPolarHBondContact O-CB 3.45Å; I1536-R1539 PolarHBondContact O-N 3.2Å; I1537-R1539 VanDerWaalsContact C-N 3.32Å; I1537-R1539 PolarHBondContact O-N 2.97Å; R1539-I1541 PolarHBondContact O-N 3.18Å; R1539-N1542 PolarHBondContact O-N 3.29Å; R1539-N1542 VanDerWaalsContact O-N 3.15Å; R1539-H1543 WeakPolarHBondContact O-CB 3.2Å; R1539-H1543 PolarHBondContact O-N 3.25Å; R1539-H1543 PolarHBondContact O-ND1 3.36Å |
| 1540 | L | 84.6 | Confident | 77.1 | Confident | 0.8 Ų | 0.8 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -50 | -177.1 | -134.3 | 108.3 | 0 | 0 | 0 | 112.1 | F1488 C1492 L1495 L1516 T1520 I1536 I1537 N1542 H1543 V1544 V1575 L1579 | F1488-L1540 HydrophobicContact CD1-CD1 3.56Å; F1488-L1540 HydrophobicContact CD1-CD2 4.18Å; F1488-L1540 HydrophobicContact CE1-CD1 3.95Å; F1488-L1540 HydrophobicContact CE1-CD2 4.08Å; F1488-L1540 HydrophobicContact CG-CD1 4.45Å; C1492-L1540 VanDerWaalsContact SG-CD2 3.57Å; C1492-L1540 VanDerWaalsContact SG-CG 3.59Å; L1495-L1540 HydrophobicContact CD1-CD1 3.64Å; L1495-L1540 VanDerWaalsContact CD1-CD1 3.46Å; L1495-L1540 HydrophobicContact CD1-CD2 3.86Å; L1495-L1540 HydrophobicContact CD1-CG 4.35Å; L1516-L1540 HydrophobicContact CD1-CD1 3.98Å; L1516-L1540 HydrophobicContact CD1-CD2 4.41Å; L1516-L1540 HydrophobicContact CD2-CD1 3.73Å; L1516-L1540 HydrophobicContact CD2-CD2 3.97Å; L1516-L1540 HydrophobicContact CD2-CG 4.49Å; L1516-L1540 HydrophobicContact CG-CD1 4.5Å; T1520-L1540 HydrophobicContact CG2-CD2 4.26Å; I1536-L1540 HydrophobicContact CG2-CD1 3.95Å; I1536-L1540 WeakPolarHBondContact O-CB 3.18Å; I1536-L1540 WeakPolarHBondContact O-CG 3.35Å; I1536-L1540 PolarHBondContact O-N 3.14Å; I1537-L1540 PolarHBondContact O-N 2.97Å; I1537-L1540 VanDerWaalsContact O-N 3.16Å; L1540-N1542 VanDerWaalsContact C-N 3.32Å; L1540-N1542 PolarHBondContact O-N 3.14Å; L1540-H1543 PolarHBondContact O-N 3.08Å; L1540-V1544 HydrophobicContact CD1-CG2 4.07Å; L1540-V1544 HydrophobicContact CG-CG2 4.38Å; L1540-V1544 WeakPolarHBondContact O-CB 3.31Å; L1540-V1544 VanDerWaalsContact O-CG2 3.27Å; L1540-V1544 WeakPolarHBondContact O-CG2 3.36Å; L1540-V1544 PolarHBondContact O-N 3.2Å; L1540-V1575 HydrophobicContact CD2-CG1 3.99Å; L1540-L1579 HydrophobicContact CB-CD1 4.22Å; L1540-L1579 HydrophobicContact CD2-CD1 3.54Å; L1540-L1579 HydrophobicContact CD2-CD2 4.35Å; L1540-L1579 HydrophobicContact CD2-CG 4.47Å; L1540-L1579 HydrophobicContact CG-CD1 4.12Å |
| 1541 | I | 84.3 | Confident | 77.8 | Confident | 0.6 Ų | 0.6 | 32.2 Ų | 32.2 | 0% | 0.003 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 178.8 | -67 | 172.2 | 0 | 0 | 0 | 110.4 | I1537 R1539 H1543 S1545 L1579 L1583 Y1618 W1621 | I1537-I1541 HydrophobicContact CG2-CD1 3.73Å; I1537-I1541 HydrophobicContact CG2-CG1 4.27Å; I1537-I1541 WeakPolarHBondContact O-CG1 3.38Å; I1537-I1541 PolarHBondContact O-N 3.01Å; R1539-I1541 PolarHBondContact O-N 3.18Å; I1541-H1543 PolarHBondContact O-N 3.1Å; I1541-S1545 WeakPolarHBondContact O-CB 3.34Å; I1541-S1545 PolarHBondContact O-N 3.25Å; I1541-L1579 HydrophobicContact CD1-CB 4.21Å; I1541-L1579 HydrophobicContact CG1-CB 4.16Å; I1541-L1579 HydrophobicContact CG1-CD1 3.74Å; I1541-L1583 HydrophobicContact CD1-CD1 3.53Å; I1541-L1583 VanDerWaalsContact CD1-CD1 3.43Å; I1541-Y1618 HydrophobicContact CD1-CD1 4.36Å; I1541-W1621 HydrophobicContact CG2-CB 3.79Å; I1541-W1621 HydrophobicContact CG2-CD2 3.99Å; I1541-W1621 HydrophobicContact CG2-CG 3.39Å; I1541-W1621 VanDerWaalsContact CG2-CG 3.43Å |
| 1542 | N | 84.8 | Confident | 78.5 | Confident | 35.8 Ų | 35.8 | 31.5 Ų | 31.5 | 19% | 0.191 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67 | -39 | -179.3 | -73.9 | -38.3 | 0 | 0 | 0 | 113.2 | G1538 R1539 L1540 K1546 K1617 S1620 | G1538-N1542 WeakPolarHBondContact O-CB 3.27Å; G1538-N1542 VanDerWaalsContact O-CG 3.3Å; G1538-N1542 PolarHBondContact O-N 3.24Å; G1538-N1542 VanDerWaalsContact O-N 3.17Å; G1538-N1542 PolarHBondContact O-ND2 3.02Å; R1539-N1542 PolarHBondContact O-N 3.29Å; R1539-N1542 VanDerWaalsContact O-N 3.15Å; L1540-N1542 VanDerWaalsContact C-N 3.32Å; L1540-N1542 PolarHBondContact O-N 3.14Å; N1542-K1546 WeakPolarHBondContact O-CB 3.14Å; N1542-K1546 VanDerWaalsContact O-CG 3.3Å; N1542-K1546 WeakPolarHBondContact O-CG 3.35Å; N1542-K1546 PolarHBondContact O-N 3.08Å; N1542-K1546 VanDerWaalsContact O-N 3.09Å; N1542-K1617 PolarHBondContact ND2-O 3.21Å; N1542-K1617 PolarHBondContact OD1-O 3.03Å; N1542-S1620 VanDerWaalsContact CG-OG 3.25Å; N1542-S1620 PolarHBondContact ND2-OG 3.2Å; N1542-S1620 PolarHBondContact OD1-OG 3.05Å |
| 1543 | H | 87.8 | Confident | 79.2 | Confident | 29.4 Ų | 29.4 | 33.9 Ų | 33.9 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -44.5 | 178.6 | -70 | 81.8 | 0 | 0 | 0 | 111.4 | L1495 K1496 I1499 R1539 L1540 I1541 K1546 L1547 | L1495-H1543 HydrophobicContact CB-CB 4.09Å; L1495-H1543 HydrophobicContact CD1-CB 4.16Å; K1496-H1543 VanDerWaalsContact CE-NE2 3.35Å; K1496-H1543 WeakPolarHBondContact CE-NE2 3.33Å; K1496-H1543 VanDerWaalsContact CG-CD2 3.46Å; K1496-H1543 WeakPolarHBondContact CG-CD2 3.38Å; K1496-H1543 WeakPolarHBondContact CG-NE2 3.43Å; I1499-H1543 HydrophobicContact CD1-CB 3.87Å; I1499-H1543 WeakPolarHBondContact CD1-CD2 3.36Å; R1539-H1543 WeakPolarHBondContact O-CB 3.2Å; R1539-H1543 PolarHBondContact O-N 3.25Å; R1539-H1543 PolarHBondContact O-ND1 3.36Å; L1540-H1543 PolarHBondContact O-N 3.08Å; I1541-H1543 PolarHBondContact O-N 3.1Å; H1543-K1546 PolarHBondContact O-N 3.07Å; H1543-L1547 WeakPolarHBondContact O-CG 3.27Å; H1543-L1547 PolarHBondContact O-N 3.19Å; H1543-L1547 VanDerWaalsContact O-N 3.11Å |
| 1544 | V | 89.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | L1495 L1540 K1546 L1547 L1548 F1572 V1575 I1576 | L1495-V1544 HydrophobicContact CD1-CG2 3.91Å; L1495-V1544 HydrophobicContact CD2-CG2 4.46Å; L1540-V1544 HydrophobicContact CD1-CG2 4.07Å; L1540-V1544 HydrophobicContact CG-CG2 4.38Å; L1540-V1544 WeakPolarHBondContact O-CB 3.31Å; L1540-V1544 VanDerWaalsContact O-CG2 3.27Å; L1540-V1544 WeakPolarHBondContact O-CG2 3.36Å; L1540-V1544 PolarHBondContact O-N 3.2Å; V1544-K1546 PolarHBondContact O-N 3.31Å; V1544-L1547 PolarHBondContact O-N 3.29Å; V1544-L1547 VanDerWaalsContact O-N 3.17Å; V1544-L1548 HydrophobicContact CG1-CD1 4.15Å; V1544-L1548 HydrophobicContact CG1-CG 4.47Å; V1544-L1548 WeakPolarHBondContact O-CG 3.42Å; V1544-L1548 PolarHBondContact O-N 3.27Å; V1544-F1572 HydrophobicContact CG1-CB 3.6Å; V1544-F1572 HydrophobicContact CG1-CD1 3.63Å; V1544-F1572 HydrophobicContact CG1-CG 3.81Å; V1544-F1572 HydrophobicContact CG2-CD1 4.22Å; V1544-F1572 HydrophobicContact CG2-CE1 4.5Å; V1544-V1575 HydrophobicContact CG2-CG1 4.36Å; V1544-I1576 HydrophobicContact CB-CD1 4.34Å; V1544-I1576 HydrophobicContact CB-CG1 4.27Å; V1544-I1576 HydrophobicContact CG1-CD1 3.86Å; V1544-I1576 HydrophobicContact CG1-CG1 3.75Å |
| 1545 | S | 87.6 | Confident | 79.5 | Confident | 1.8 Ų | 1.8 | 35.6 Ų | 35.6 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 112 | I1541 L1547 L1548 S1549 W1621 E1624 W1626 | I1541-S1545 WeakPolarHBondContact O-CB 3.34Å; I1541-S1545 PolarHBondContact O-N 3.25Å; S1545-L1547 VanDerWaalsContact C-N 3.33Å; S1545-L1547 PolarHBondContact O-N 3.17Å; S1545-L1548 PolarHBondContact O-N 2.99Å; S1545-S1549 WeakPolarHBondContact O-CB 3.32Å; S1545-S1549 PolarHBondContact O-N 3.2Å; S1545-S1549 PolarHBondContact O-OG 3.12Å; S1545-W1621 WeakPolarHBondContact OG-CB 3.24Å; S1545-E1624 WeakPolarHBondContact OG-CG 3.28Å; S1545-W1626 PolarHBondContact OG-NE1 3.13Å |
| 1546 | K | 86.2 | Confident | 78.9 | Confident | 109.2 Ų | 109.2 | 35.6 Ų | 35.6 | 48% | 0.475 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.6 | -111.5 | 173.4 | -178.9 | -177.7 | 0 | 112.4 | I1499 N1542 H1543 V1544 S1549 V1550 | I1499-K1546 HydrophobicContact CD1-CD 4.48Å; I1499-K1546 HydrophobicContact CG2-CD 3.65Å; I1499-K1546 HydrophobicContact CG2-CG 4.32Å; N1542-K1546 WeakPolarHBondContact O-CB 3.14Å; N1542-K1546 VanDerWaalsContact O-CG 3.3Å; N1542-K1546 WeakPolarHBondContact O-CG 3.35Å; N1542-K1546 PolarHBondContact O-N 3.08Å; N1542-K1546 VanDerWaalsContact O-N 3.09Å; H1543-K1546 PolarHBondContact O-N 3.07Å; V1544-K1546 PolarHBondContact O-N 3.31Å; K1546-S1549 WeakPolarHBondContact O-CB 3.28Å; K1546-S1549 PolarHBondContact O-N 3.14Å; K1546-S1549 PolarHBondContact O-OG 3.06Å; K1546-V1550 WeakPolarHBondContact O-CG2 3.4Å; K1546-V1550 PolarHBondContact O-N 3.35Å; K1546-V1550 VanDerWaalsContact O-N 3.12Å |
| 1547 | L | 86.2 | Confident | 77.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | 174.8 | -73.2 | 169.7 | 0 | 0 | 0 | 111.2 | L1495 F1498 I1499 P1502 L1509 H1543 V1544 S1545 S1549 V1550 F1551 F1572 | L1495-L1547 HydrophobicContact CD2-CD1 3.51Å; L1495-L1547 VanDerWaalsContact CD2-CD1 3.48Å; F1498-L1547 HydrophobicContact CB-CD1 4.47Å; F1498-L1547 HydrophobicContact CB-CD2 4.09Å; F1498-L1547 WeakPolarHBondContact O-CD2 3.25Å; I1499-L1547 HydrophobicContact CG1-CD1 4.45Å; I1499-L1547 HydrophobicContact CG1-CD2 4.2Å; I1499-L1547 HydrophobicContact CG1-CG 4.11Å; P1502-L1547 HydrophobicContact CB-CD2 3.99Å; L1509-L1547 HydrophobicContact CD1-CD1 4.41Å; H1543-L1547 WeakPolarHBondContact O-CG 3.27Å; H1543-L1547 PolarHBondContact O-N 3.19Å; H1543-L1547 VanDerWaalsContact O-N 3.11Å; V1544-L1547 PolarHBondContact O-N 3.29Å; V1544-L1547 VanDerWaalsContact O-N 3.17Å; S1545-L1547 VanDerWaalsContact C-N 3.33Å; S1545-L1547 PolarHBondContact O-N 3.17Å; L1547-S1549 VanDerWaalsContact C-N 3.31Å; L1547-S1549 PolarHBondContact O-N 3.01Å; L1547-V1550 PolarHBondContact O-N 3.04Å; L1547-V1550 VanDerWaalsContact O-N 3.12Å; L1547-F1551 VanDerWaalsContact O-CD2 3.28Å; L1547-F1551 WeakPolarHBondContact O-CD2 3.34Å; L1547-F1551 PolarHBondContact O-N 3.13Å; L1547-F1572 HydrophobicContact CD1-CE2 4.49Å; L1547-F1572 HydrophobicContact CD1-CZ 4.19Å |
| 1548 | L | 86.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 176.4 | -78.2 | 169.6 | 0 | 0 | 0 | 112.2 | V1544 S1545 V1550 F1551 I1552 I1569 F1572 L1573 I1576 W1626 | V1544-L1548 HydrophobicContact CG1-CD1 4.15Å; V1544-L1548 HydrophobicContact CG1-CG 4.47Å; V1544-L1548 WeakPolarHBondContact O-CG 3.42Å; V1544-L1548 PolarHBondContact O-N 3.27Å; S1545-L1548 PolarHBondContact O-N 2.99Å; L1548-V1550 VanDerWaalsContact C-N 3.32Å; L1548-V1550 PolarHBondContact O-N 3.1Å; L1548-F1551 PolarHBondContact O-N 3.08Å; L1548-I1552 HydrophobicContact CB-CD1 4.43Å; L1548-I1552 HydrophobicContact CD2-CD1 4.32Å; L1548-I1552 VanDerWaalsContact O-CB 3.31Å; L1548-I1552 WeakPolarHBondContact O-CB 3.42Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; L1548-I1552 PolarHBondContact O-N 3.25Å; L1548-I1569 HydrophobicContact CD2-CG2 4.2Å; L1548-F1572 HydrophobicContact CD1-CB 4.18Å; L1548-F1572 HydrophobicContact CD2-CB 3.79Å; L1548-F1572 HydrophobicContact CG-CB 3.94Å; L1548-L1573 HydrophobicContact CD1-CD2 4Å; L1548-L1573 HydrophobicContact CD1-CG 4.45Å; L1548-L1573 HydrophobicContact CD2-CD2 4.33Å; L1548-L1573 HydrophobicContact CD2-CG 4.16Å; L1548-I1576 HydrophobicContact CD1-CD1 3.4Å; L1548-I1576 VanDerWaalsContact CD1-CD1 3.43Å; L1548-I1576 HydrophobicContact CD1-CG1 4.34Å; L1548-W1626 HydrophobicContact CB-CB 4.32Å; L1548-W1626 HydrophobicContact CB-CD2 4.03Å; L1548-W1626 HydrophobicContact CB-CE3 4.38Å; L1548-W1626 HydrophobicContact CB-CG 4.02Å; L1548-W1626 HydrophobicContact CD1-CD2 4.18Å; L1548-W1626 HydrophobicContact CD1-CE3 4.04Å; L1548-W1626 HydrophobicContact CD1-CH2 4.09Å; L1548-W1626 HydrophobicContact CD1-CZ2 4.19Å; L1548-W1626 HydrophobicContact CD1-CZ3 4.02Å |
| 1549 | S | 84 | Confident | 75.9 | Confident | 9.4 Ų | 9.4 | 49.8 Ų | 49.8 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 174.2 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | S1545 K1546 L1547 Q1553 E1624 | S1545-S1549 WeakPolarHBondContact O-CB 3.32Å; S1545-S1549 PolarHBondContact O-N 3.2Å; S1545-S1549 PolarHBondContact O-OG 3.12Å; K1546-S1549 WeakPolarHBondContact O-CB 3.28Å; K1546-S1549 PolarHBondContact O-N 3.14Å; K1546-S1549 PolarHBondContact O-OG 3.06Å; L1547-S1549 VanDerWaalsContact C-N 3.31Å; L1547-S1549 PolarHBondContact O-N 3.01Å; S1549-Q1553 WeakPolarHBondContact O-CB 3.35Å; S1549-Q1553 WeakPolarHBondContact O-CG 3.37Å; S1549-Q1553 PolarHBondContact O-N 3.05Å; S1549-Q1553 PolarHBondContact OG-NE2 2.78Å; S1549-Q1553 VanDerWaalsContact OG-NE2 3.11Å; S1549-E1624 VanDerWaalsContact CB-OE2 3.32Å; S1549-E1624 WeakPolarHBondContact CB-OE2 3.37Å; S1549-E1624 PolarHBondContact OG-OE2 3.25Å |
| 1550 | V | 82.5 | Confident | 74.6 | Confident | 35.6 Ų | 35.6 | 47.4 Ų | 47.4 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -45.1 | 177.3 | 180 | 0 | 0 | 0 | 0 | 112.4 | P1502 F1503 K1546 L1547 L1548 I1552 Q1554 | P1502-V1550 HydrophobicContact CB-CG1 4.36Å; P1502-V1550 HydrophobicContact CG-CB 4.37Å; P1502-V1550 HydrophobicContact CG-CG1 3.58Å; F1503-V1550 HydrophobicContact CE2-CG1 4.12Å; F1503-V1550 HydrophobicContact CZ-CG1 4.33Å; K1546-V1550 WeakPolarHBondContact O-CG2 3.4Å; K1546-V1550 PolarHBondContact O-N 3.35Å; K1546-V1550 VanDerWaalsContact O-N 3.12Å; L1547-V1550 PolarHBondContact O-N 3.04Å; L1547-V1550 VanDerWaalsContact O-N 3.12Å; L1548-V1550 VanDerWaalsContact C-N 3.32Å; L1548-V1550 PolarHBondContact O-N 3.1Å; V1550-I1552 VanDerWaalsContact C-N 3.32Å; V1550-I1552 PolarHBondContact O-N 3.33Å; V1550-Q1554 HydrophobicContact CG1-CB 4.5Å; V1550-Q1554 HydrophobicContact CG1-CG 4.29Å; V1550-Q1554 VanDerWaalsContact O-CB 3.29Å; V1550-Q1554 WeakPolarHBondContact O-CB 3.31Å; V1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; V1550-Q1554 PolarHBondContact O-N 3.16Å |
| 1551 | F | 80.4 | Confident | 73.2 | Confident | 5.4 Ų | 5.4 | 55 Ų | 55 | 2% | 0.024 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 179.5 | -89 | -83.6 | 0 | 0 | 0 | 112.3 | P1502 F1503 L1506 L1509 L1547 L1548 N1560 I1569 F1572 | P1502-F1551 HydrophobicContact CB-CE2 4.04Å; P1502-F1551 HydrophobicContact CB-CZ 4.38Å; F1503-F1551 AromaticContact CD1-CE1 3.95Å; F1503-F1551 HydrophobicContact CD1-CE1 4.03Å; F1503-F1551 HydrophobicContact CD1-CZ 4.27Å; F1503-F1551 AromaticContact CE1-CD1 3.8Å; F1503-F1551 HydrophobicContact CE1-CD1 3.8Å; F1503-F1551 AromaticContact CE1-CE1 3.55Å; F1503-F1551 HydrophobicContact CE1-CE1 3.55Å; F1503-F1551 VanDerWaalsContact CE1-CE1 3.44Å; F1503-F1551 HydrophobicContact CE1-CG 4.45Å; F1503-F1551 HydrophobicContact CE1-CZ 4.1Å; F1503-F1551 HydrophobicContact CZ-CD1 4.13Å; F1503-F1551 HydrophobicContact CZ-CE1 4.17Å; L1506-F1551 HydrophobicContact CD2-CE1 3.9Å; L1506-F1551 HydrophobicContact CD2-CZ 3.85Å; L1509-F1551 HydrophobicContact CD2-CE2 3.6Å; L1509-F1551 HydrophobicContact CD2-CZ 3.49Å; L1509-F1551 VanDerWaalsContact CD2-CZ 3.46Å; L1547-F1551 VanDerWaalsContact O-CD2 3.28Å; L1547-F1551 WeakPolarHBondContact O-CD2 3.34Å; L1547-F1551 PolarHBondContact O-N 3.13Å; L1548-F1551 PolarHBondContact O-N 3.08Å; F1551-N1560 WeakPolarHBondContact CD1-OD1 3.16Å; F1551-N1560 VanDerWaalsContact O-CG 3.25Å; F1551-N1560 PolarHBondContact O-ND2 3.14Å; F1551-N1560 PolarHBondContact O-OD1 3.19Å; F1551-I1569 HydrophobicContact CB-CD1 4.36Å; F1551-I1569 HydrophobicContact CB-CG1 4.11Å; F1551-I1569 HydrophobicContact CD1-CG1 4.36Å; F1551-I1569 HydrophobicContact CG-CG1 4.46Å; F1551-F1572 HydrophobicContact CE2-CE2 4.44Å |
| 1552 | I | 77.6 | Confident | 72.3 | Confident | 12.8 Ų | 12.8 | 56.9 Ų | 56.9 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -86.3 | -39.7 | -176.1 | -64.8 | 165.2 | 0 | 0 | 0 | 111.3 | L1548 V1550 R1555 I1569 W1626 Q1629 S1630 | L1548-I1552 HydrophobicContact CB-CD1 4.43Å; L1548-I1552 HydrophobicContact CD2-CD1 4.32Å; L1548-I1552 VanDerWaalsContact O-CB 3.31Å; L1548-I1552 WeakPolarHBondContact O-CB 3.42Å; L1548-I1552 WeakPolarHBondContact O-CG1 3.48Å; L1548-I1552 PolarHBondContact O-N 3.25Å; V1550-I1552 VanDerWaalsContact C-N 3.32Å; V1550-I1552 PolarHBondContact O-N 3.33Å; I1552-R1555 WeakPolarHBondContact O-CB 3.47Å; I1552-R1555 PolarHBondContact O-N 2.84Å; I1552-I1569 HydrophobicContact CD1-CG2 4.49Å; I1552-W1626 HydrophobicContact CB-CB 4.34Å; I1552-W1626 HydrophobicContact CD1-CB 3.78Å; I1552-W1626 HydrophobicContact CD1-CE3 4.41Å; I1552-Q1629 HydrophobicContact CG2-CB 3.5Å; I1552-Q1629 VanDerWaalsContact CG2-CB 3.45Å; I1552-Q1629 HydrophobicContact CG2-CG 4.39Å; I1552-Q1629 VanDerWaalsContact CG2-OE1 3.22Å; I1552-S1630 VanDerWaalsContact CD1-OG 3.23Å; I1552-S1630 WeakPolarHBondContact CD1-OG 3.33Å |
| 1553 | Q | 71.9 | Confident | 71.4 | Confident | 84.6 Ų | 84.6 | 64.1 Ų | 64.1 | 40% | 0.395 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 178.6 | -69.7 | 173.6 | -2.4 | 0 | 0 | 112.8 | S1549 R1555 N1556 | S1549-Q1553 WeakPolarHBondContact O-CB 3.35Å; S1549-Q1553 WeakPolarHBondContact O-CG 3.37Å; S1549-Q1553 PolarHBondContact O-N 3.05Å; S1549-Q1553 PolarHBondContact OG-NE2 2.78Å; S1549-Q1553 VanDerWaalsContact OG-NE2 3.11Å; Q1553-R1555 VanDerWaalsContact C-N 3.28Å; Q1553-R1555 PolarHBondContact O-N 3.1Å; Q1553-R1555 VanDerWaalsContact O-N 3.09Å; Q1553-N1556 WeakPolarHBondContact O-CB 3.3Å; Q1553-N1556 PolarHBondContact O-N 2.88Å; Q1553-N1556 VanDerWaalsContact O-N 3.07Å |
| 1554 | Q | 66.9 | Low | 70.5 | Confident | 98.6 Ų | 98.6 | 66.7 Ų | 66.7 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -76.9 | 43.1 | -179.5 | -81.4 | -176.7 | -3.7 | 0 | 0 | 111.9 | F1503 V1550 N1556 H1557 N1560 | F1503-Q1554 VanDerWaalsContact CE2-OE1 3.23Å; V1550-Q1554 HydrophobicContact CG1-CB 4.5Å; V1550-Q1554 HydrophobicContact CG1-CG 4.29Å; V1550-Q1554 VanDerWaalsContact O-CB 3.29Å; V1550-Q1554 WeakPolarHBondContact O-CB 3.31Å; V1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; V1550-Q1554 PolarHBondContact O-N 3.16Å; Q1554-N1556 VanDerWaalsContact C-N 3.27Å; Q1554-N1556 PolarHBondContact O-N 3.1Å; Q1554-H1557 PolarHBondContact O-N 3.16Å; Q1554-N1560 PolarHBondContact O-ND2 3.18Å |
| 1555 | R | 57 | Low | 69.7 | Low | 92.2 Ų | 92.2 | 66.9 Ų | 66.9 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | trans | -60.3 | 4.4 | 173.8 | -134.8 | 179 | -178.9 | 173.9 | 0.9 | 112.6 | I1552 Q1553 H1557 N1560 Y1561 T1632 Y1633 L1671 | I1552-R1555 WeakPolarHBondContact O-CB 3.47Å; I1552-R1555 PolarHBondContact O-N 2.84Å; Q1553-R1555 VanDerWaalsContact C-N 3.28Å; Q1553-R1555 PolarHBondContact O-N 3.1Å; Q1553-R1555 VanDerWaalsContact O-N 3.09Å; R1555-H1557 WeakPolarHBondContact CD-NE2 3.4Å; R1555-H1557 PolarHBondContact O-N 3.17Å; R1555-N1560 PolarHBondContact NH2-O 3.02Å; R1555-N1560 VanDerWaalsContact NH2-O 3.11Å; R1555-Y1561 WeakPolarHBondContact O-CE2 2.87Å; R1555-T1632 PolarHBondContact NH2-O 3.29Å; R1555-Y1633 PolarHBondContact NH1-OH 3.13Å; R1555-L1671 VanDerWaalsContact NH2-CD1 3.28Å | ||
| 1556 | N | 54.4 | Low | 69.2 | Low | 91.8 Ų | 91.8 | 67.6 Ų | 67.6 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | trans | -69.1 | 21.2 | 175.2 | -75.4 | -14.4 | 0 | 0 | 0 | 112 | Q1553 Q1554 Q1558 A1559 N1560 E1667 | Q1553-N1556 WeakPolarHBondContact O-CB 3.3Å; Q1553-N1556 PolarHBondContact O-N 2.88Å; Q1553-N1556 VanDerWaalsContact O-N 3.07Å; Q1554-N1556 VanDerWaalsContact C-N 3.27Å; Q1554-N1556 PolarHBondContact O-N 3.1Å; N1556-Q1558 PolarHBondContact O-N 3.13Å; N1556-A1559 HydrophobicContact CB-CB 4.17Å; N1556-A1559 PolarHBondContact O-N 3.07Å; N1556-N1560 PolarHBondContact O-N 2.94Å; N1556-E1667 WeakPolarHBondContact CB-OE1 3.46Å; N1556-E1667 PolarHBondContact ND2-OE1 2.99Å | ||
| 1557 | H | 54 | Low | 69 | Low | 130.4 Ų | 130.4 | 64.5 Ų | 64.5 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.2 | -176.1 | -73.3 | -34.8 | 0 | 0 | 0 | 114.3 | Q1554 R1555 A1559 N1560 Y1561 | Q1554-H1557 PolarHBondContact O-N 3.16Å; R1555-H1557 WeakPolarHBondContact CD-NE2 3.4Å; R1555-H1557 PolarHBondContact O-N 3.17Å; H1557-A1559 HydrophobicContact CB-CB 4.46Å; H1557-A1559 PolarHBondContact O-N 3.19Å; H1557-N1560 PolarHBondContact O-N 2.87Å; H1557-Y1561 AromaticContact ND1-CE2 3.85Å; H1557-Y1561 WeakPolarHBondContact O-CD2 3.35Å |
| 1558 | Q | 54.1 | Low | 69 | Low | 181.2 Ų | 181.2 | 64.5 Ų | 64.5 | 85% | 0.847 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -100.1 | -24.4 | 179.5 | -69 | -178.1 | -15.6 | 0 | 0 | 114.7 | N1556 N1560 Y1561 S1562 | N1556-Q1558 PolarHBondContact O-N 3.13Å; Q1558-N1560 VanDerWaalsContact C-N 3.3Å; Q1558-N1560 PolarHBondContact O-N 3.07Å; Q1558-Y1561 PolarHBondContact O-N 2.97Å; Q1558-S1562 WeakPolarHBondContact O-CB 3.4Å; Q1558-S1562 PolarHBondContact O-N 3.03Å |
| 1559 | A | 53 | Low | 69 | Low | 26.8 Ų | 26.8 | 64.6 Ų | 64.6 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | trans | -95.4 | -15.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1503 L1506 N1556 H1557 Y1561 S1562 G1565 | F1503-A1559 HydrophobicContact CD1-CB 4Å; F1503-A1559 HydrophobicContact CE1-CB 4.18Å; L1506-A1559 HydrophobicContact CD1-CB 4.09Å; N1556-A1559 HydrophobicContact CB-CB 4.17Å; N1556-A1559 PolarHBondContact O-N 3.07Å; H1557-A1559 HydrophobicContact CB-CB 4.46Å; H1557-A1559 PolarHBondContact O-N 3.19Å; A1559-Y1561 VanDerWaalsContact C-N 3.34Å; A1559-Y1561 PolarHBondContact O-N 3.09Å; A1559-S1562 WeakPolarHBondContact CB-OG 3.33Å; A1559-S1562 VanDerWaalsContact O-CB 3.28Å; A1559-S1562 WeakPolarHBondContact O-CB 3.36Å; A1559-S1562 PolarHBondContact O-N 3.06Å; A1559-S1562 PolarHBondContact O-OG 3.18Å; A1559-G1565 WeakPolarHBondContact O-CA 3.41Å | ||
| 1560 | N | 53.4 | Low | 69.2 | Low | 48.4 Ų | 48.4 | 65.6 Ų | 65.6 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.8 | 179.6 | -73.3 | -13.6 | 0 | 0 | 0 | 113.3 | F1551 Q1554 R1555 N1556 H1557 Q1558 S1562 S1566 Y1633 | F1551-N1560 WeakPolarHBondContact CD1-OD1 3.16Å; F1551-N1560 VanDerWaalsContact O-CG 3.25Å; F1551-N1560 PolarHBondContact O-ND2 3.14Å; F1551-N1560 PolarHBondContact O-OD1 3.19Å; Q1554-N1560 PolarHBondContact O-ND2 3.18Å; R1555-N1560 PolarHBondContact NH2-O 3.02Å; R1555-N1560 VanDerWaalsContact NH2-O 3.11Å; N1556-N1560 PolarHBondContact O-N 2.94Å; H1557-N1560 PolarHBondContact O-N 2.87Å; Q1558-N1560 VanDerWaalsContact C-N 3.3Å; Q1558-N1560 PolarHBondContact O-N 3.07Å; N1560-S1562 VanDerWaalsContact C-N 3.32Å; N1560-S1566 PolarHBondContact O-N 3.25Å; N1560-Y1633 PolarHBondContact O-OH 3.2Å; N1560-Y1633 VanDerWaalsContact O-OH 3.04Å |
| 1561 | Y | 55.6 | Low | 69.5 | Low | 159.4 Ų | 159.4 | 65 Ų | 65 | 63% | 0.625 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -4.8 | 177.6 | -62.8 | -79.3 | 0 | 0 | 0 | 113.8 | R1555 H1557 Q1558 A1559 Y1563 R1634 | R1555-Y1561 WeakPolarHBondContact O-CE2 2.87Å; H1557-Y1561 AromaticContact ND1-CE2 3.85Å; H1557-Y1561 WeakPolarHBondContact O-CD2 3.35Å; Q1558-Y1561 PolarHBondContact O-N 2.97Å; A1559-Y1561 VanDerWaalsContact C-N 3.34Å; A1559-Y1561 PolarHBondContact O-N 3.09Å; Y1561-Y1563 PolarHBondContact O-N 2.89Å; Y1561-R1634 HydrophobicContact CE1-CB 4.43Å |
| 1562 | S | 64.2 | Low | 70.1 | Confident | 41.2 Ų | 41.2 | 64.8 Ų | 64.8 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -76.7 | 135.6 | 174.8 | 76.7 | 0 | 0 | 0 | 0 | 110.4 | Q1558 A1559 N1560 I1564 G1565 S1566 | Q1558-S1562 WeakPolarHBondContact O-CB 3.4Å; Q1558-S1562 PolarHBondContact O-N 3.03Å; A1559-S1562 WeakPolarHBondContact CB-OG 3.33Å; A1559-S1562 VanDerWaalsContact O-CB 3.28Å; A1559-S1562 WeakPolarHBondContact O-CB 3.36Å; A1559-S1562 PolarHBondContact O-N 3.06Å; A1559-S1562 PolarHBondContact O-OG 3.18Å; N1560-S1562 VanDerWaalsContact C-N 3.32Å; S1562-I1564 PolarHBondContact O-N 3.03Å; S1562-I1564 VanDerWaalsContact O-N 3.12Å; S1562-G1565 PolarHBondContact O-N 2.86Å; S1562-G1565 VanDerWaalsContact O-N 3.1Å; S1562-G1565 PolarHBondContact OG-N 3.24Å; S1562-G1565 VanDerWaalsContact OG-N 3.07Å; S1562-S1566 WeakPolarHBondContact O-CB 3.49Å; S1562-S1566 PolarHBondContact O-N 2.9Å; S1562-S1566 PolarHBondContact O-OG 2.95Å |
| 1563 | Y | 65.2 | Low | 70.7 | Confident | 187.6 Ų | 187.6 | 64.2 Ų | 64.2 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.9 | -18.2 | 174.7 | -139.2 | -90.8 | 0 | 0 | 0 | 112.9 | Y1561 G1565 S1566 S1567 | Y1561-Y1563 PolarHBondContact O-N 2.89Å; Y1563-G1565 PolarHBondContact O-N 3.31Å; Y1563-G1565 VanDerWaalsContact O-N 3.15Å; Y1563-S1566 WeakPolarHBondContact O-CB 3.4Å; Y1563-S1566 PolarHBondContact O-N 3.09Å; Y1563-S1566 VanDerWaalsContact O-N 3.17Å; Y1563-S1566 PolarHBondContact O-OG 2.94Å; Y1563-S1566 VanDerWaalsContact O-OG 3.09Å; Y1563-S1567 VanDerWaalsContact O-CB 3.28Å; Y1563-S1567 WeakPolarHBondContact O-CB 3.44Å; Y1563-S1567 PolarHBondContact O-N 3.07Å; Y1563-S1567 VanDerWaalsContact O-N 3.09Å |
| 1564 | I | 68.8 | Low | 71.6 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72 | -11.3 | -177 | -74.3 | 159.4 | 0 | 0 | 0 | 110.6 | L1506 V1507 N1510 S1562 S1566 S1567 N1568 | L1506-I1564 HydrophobicContact CB-CG2 3.73Å; L1506-I1564 HydrophobicContact CD1-CG2 3.46Å; L1506-I1564 HydrophobicContact CG-CG2 4.3Å; V1507-I1564 HydrophobicContact CG2-CD1 4.26Å; N1510-I1564 HydrophobicContact CB-CG1 4.5Å; N1510-I1564 HydrophobicContact CB-CG2 4.28Å; S1562-I1564 PolarHBondContact O-N 3.03Å; S1562-I1564 VanDerWaalsContact O-N 3.12Å; I1564-S1566 VanDerWaalsContact C-N 3.29Å; I1564-S1566 PolarHBondContact O-N 2.99Å; I1564-S1567 WeakPolarHBondContact O-CB 3.24Å; I1564-S1567 PolarHBondContact O-N 3.12Å; I1564-N1568 VanDerWaalsContact O-CG 3.27Å; I1564-N1568 PolarHBondContact O-N 3.08Å; I1564-N1568 PolarHBondContact O-ND2 2.82Å; I1564-N1568 PolarHBondContact O-OD1 3.06Å |
| 1565 | G | 72.8 | Confident | 72.7 | Confident | 4.6 Ų | 4.6 | 57.2 Ų | 57.2 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -25.6 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1559 S1562 Y1563 S1567 N1568 I1569 | A1559-G1565 WeakPolarHBondContact O-CA 3.41Å; S1562-G1565 PolarHBondContact O-N 2.86Å; S1562-G1565 VanDerWaalsContact O-N 3.1Å; S1562-G1565 PolarHBondContact OG-N 3.24Å; S1562-G1565 VanDerWaalsContact OG-N 3.07Å; Y1563-G1565 PolarHBondContact O-N 3.31Å; Y1563-G1565 VanDerWaalsContact O-N 3.15Å; G1565-S1567 VanDerWaalsContact C-N 3.3Å; G1565-S1567 PolarHBondContact O-N 3.18Å; G1565-N1568 WeakPolarHBondContact O-CA 3.43Å; G1565-N1568 VanDerWaalsContact O-CB 3.32Å; G1565-N1568 WeakPolarHBondContact O-CB 3.42Å; G1565-N1568 PolarHBondContact O-N 3.2Å; G1565-I1569 WeakPolarHBondContact O-CG1 3.3Å; G1565-I1569 PolarHBondContact O-N 3.31Å; G1565-I1569 VanDerWaalsContact O-N 3.16Å |
| 1566 | S | 77.4 | Confident | 74.2 | Confident | 17.4 Ų | 17.4 | 52.8 Ų | 52.8 | 12% | 0.122 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177 | 62.7 | 0 | 0 | 0 | 0 | 112.9 | N1560 S1562 Y1563 I1564 N1568 I1569 V1570 Q1635 | N1560-S1566 PolarHBondContact O-N 3.25Å; S1562-S1566 WeakPolarHBondContact O-CB 3.49Å; S1562-S1566 PolarHBondContact O-N 2.9Å; S1562-S1566 PolarHBondContact O-OG 2.95Å; Y1563-S1566 WeakPolarHBondContact O-CB 3.4Å; Y1563-S1566 PolarHBondContact O-N 3.09Å; Y1563-S1566 VanDerWaalsContact O-N 3.17Å; Y1563-S1566 PolarHBondContact O-OG 2.94Å; Y1563-S1566 VanDerWaalsContact O-OG 3.09Å; I1564-S1566 VanDerWaalsContact C-N 3.29Å; I1564-S1566 PolarHBondContact O-N 2.99Å; S1566-N1568 VanDerWaalsContact C-N 3.3Å; S1566-N1568 PolarHBondContact O-N 2.94Å; S1566-I1569 WeakPolarHBondContact O-CB 3.49Å; S1566-I1569 PolarHBondContact O-N 3.31Å; S1566-I1569 VanDerWaalsContact O-N 3.14Å; S1566-V1570 WeakPolarHBondContact O-CG2 3.42Å; S1566-V1570 PolarHBondContact O-N 3.12Å; S1566-V1570 VanDerWaalsContact O-N 3.11Å; S1566-Q1635 VanDerWaalsContact CB-OE1 3.26Å; S1566-Q1635 PolarHBondContact OG-NE2 2.99Å |
| 1567 | S | 83.4 | Confident | 75.9 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 173.1 | -180 | 0 | 0 | 0 | 0 | 112.1 | N1510 Y1563 I1564 G1565 I1569 V1570 L1571 | N1510-S1567 WeakPolarHBondContact ND2-CB 3.31Å; N1510-S1567 PolarHBondContact ND2-OG 3.06Å; N1510-S1567 PolarHBondContact OD1-OG 2.87Å; Y1563-S1567 VanDerWaalsContact O-CB 3.28Å; Y1563-S1567 WeakPolarHBondContact O-CB 3.44Å; Y1563-S1567 PolarHBondContact O-N 3.07Å; Y1563-S1567 VanDerWaalsContact O-N 3.09Å; I1564-S1567 WeakPolarHBondContact O-CB 3.24Å; I1564-S1567 PolarHBondContact O-N 3.12Å; G1565-S1567 VanDerWaalsContact C-N 3.3Å; G1565-S1567 PolarHBondContact O-N 3.18Å; S1567-I1569 VanDerWaalsContact C-N 3.34Å; S1567-I1569 PolarHBondContact O-N 3.09Å; S1567-V1570 PolarHBondContact O-N 3.33Å; S1567-L1571 WeakPolarHBondContact O-CB 3.31Å; S1567-L1571 VanDerWaalsContact O-CG 3.3Å; S1567-L1571 WeakPolarHBondContact O-CG 3.32Å; S1567-L1571 PolarHBondContact O-N 3.44Å |
| 1568 | N | 86.4 | Confident | 77.5 | Confident | 1.4 Ų | 1.4 | 43.8 Ų | 43.8 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 177 | -66.3 | -19.1 | 0 | 0 | 0 | 111.7 | L1506 N1510 I1564 G1565 S1566 V1570 L1571 F1572 | L1506-N1568 PolarHBondContact O-ND2 3.2Å; N1510-N1568 WeakPolarHBondContact CA-OD1 3.39Å; N1510-N1568 WeakPolarHBondContact CB-OD1 3.36Å; N1510-N1568 PolarHBondContact N-OD1 3.14Å; N1510-N1568 PolarHBondContact ND2-OD1 3.02Å; N1510-N1568 PolarHBondContact OD1-OD1 3.41Å; I1564-N1568 VanDerWaalsContact O-CG 3.27Å; I1564-N1568 PolarHBondContact O-N 3.08Å; I1564-N1568 PolarHBondContact O-ND2 2.82Å; I1564-N1568 PolarHBondContact O-OD1 3.06Å; G1565-N1568 WeakPolarHBondContact O-CA 3.43Å; G1565-N1568 VanDerWaalsContact O-CB 3.32Å; G1565-N1568 WeakPolarHBondContact O-CB 3.42Å; G1565-N1568 PolarHBondContact O-N 3.2Å; S1566-N1568 VanDerWaalsContact C-N 3.3Å; S1566-N1568 PolarHBondContact O-N 2.94Å; N1568-V1570 PolarHBondContact O-N 3.27Å; N1568-L1571 PolarHBondContact O-N 3.19Å; N1568-F1572 HydrophobicContact CB-CD2 4.34Å; N1568-F1572 HydrophobicContact CB-CE2 4.11Å; N1568-F1572 WeakPolarHBondContact O-CB 3.35Å; N1568-F1572 WeakPolarHBondContact O-CD2 3.29Å; N1568-F1572 VanDerWaalsContact O-CG 3.3Å; N1568-F1572 WeakPolarHBondContact O-CG 3.42Å; N1568-F1572 PolarHBondContact O-N 3.16Å |
| 1569 | I | 86.2 | Confident | 78.9 | Confident | 1.8 Ų | 1.8 | 35.3 Ų | 35.3 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.9 | -63.5 | 168.2 | 0 | 0 | 0 | 110.1 | L1548 F1551 I1552 G1565 S1566 S1567 L1571 F1572 L1573 Y1633 V1638 | L1548-I1569 HydrophobicContact CD2-CG2 4.2Å; F1551-I1569 HydrophobicContact CB-CD1 4.36Å; F1551-I1569 HydrophobicContact CB-CG1 4.11Å; F1551-I1569 HydrophobicContact CD1-CG1 4.36Å; F1551-I1569 HydrophobicContact CG-CG1 4.46Å; I1552-I1569 HydrophobicContact CD1-CG2 4.49Å; G1565-I1569 WeakPolarHBondContact O-CG1 3.3Å; G1565-I1569 PolarHBondContact O-N 3.31Å; G1565-I1569 VanDerWaalsContact O-N 3.16Å; S1566-I1569 WeakPolarHBondContact O-CB 3.49Å; S1566-I1569 PolarHBondContact O-N 3.31Å; S1566-I1569 VanDerWaalsContact O-N 3.14Å; S1567-I1569 VanDerWaalsContact C-N 3.34Å; S1567-I1569 PolarHBondContact O-N 3.09Å; I1569-L1571 PolarHBondContact O-N 3.23Å; I1569-F1572 PolarHBondContact O-N 3.07Å; I1569-L1573 HydrophobicContact CG2-CD1 3.78Å; I1569-L1573 HydrophobicContact CG2-CG 4.34Å; I1569-L1573 WeakPolarHBondContact O-CB 3.39Å; I1569-L1573 VanDerWaalsContact O-CG 3.25Å; I1569-L1573 WeakPolarHBondContact O-CG 3.31Å; I1569-L1573 PolarHBondContact O-N 3.1Å; I1569-Y1633 HydrophobicContact CD1-CE2 4.24Å; I1569-Y1633 WeakPolarHBondContact CD1-OH 3.41Å; I1569-V1638 HydrophobicContact CG2-CG1 4.26Å; I1569-V1638 HydrophobicContact CG2-CG2 3.9Å |
| 1570 | V | 88.7 | Confident | 80.4 | Confident | 29.8 Ų | 29.8 | 34 Ų | 34 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | S1566 S1567 N1568 L1573 T1574 E1637 V1638 L1641 | S1566-V1570 WeakPolarHBondContact O-CG2 3.42Å; S1566-V1570 PolarHBondContact O-N 3.12Å; S1566-V1570 VanDerWaalsContact O-N 3.11Å; S1567-V1570 PolarHBondContact O-N 3.33Å; N1568-V1570 PolarHBondContact O-N 3.27Å; V1570-L1573 PolarHBondContact O-N 3.09Å; V1570-T1574 WeakPolarHBondContact O-CB 3.3Å; V1570-T1574 PolarHBondContact O-N 2.96Å; V1570-T1574 PolarHBondContact O-OG1 3.01Å; V1570-E1637 HydrophobicContact CG1-CB 4.25Å; V1570-E1637 HydrophobicContact CG2-CB 3.99Å; V1570-V1638 HydrophobicContact CG2-CG2 3.78Å; V1570-L1641 HydrophobicContact CG1-CD1 4.02Å; V1570-L1641 WeakPolarHBondContact O-CD1 3.26Å |
| 1571 | L | 89.1 | Confident | 81.8 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 179.3 | -70 | 171 | 0 | 0 | 0 | 111.9 | N1510 A1513 N1514 A1517 S1567 N1568 I1569 L1573 T1574 V1575 | N1510-L1571 WeakPolarHBondContact OD1-CD1 3.22Å; A1513-L1571 HydrophobicContact CB-CB 3.63Å; A1513-L1571 HydrophobicContact CB-CD1 3.94Å; A1513-L1571 HydrophobicContact CB-CG 4.44Å; N1514-L1571 HydrophobicContact CB-CD1 4.13Å; N1514-L1571 HydrophobicContact CB-CD2 4.46Å; N1514-L1571 WeakPolarHBondContact OD1-CD2 3.39Å; A1517-L1571 HydrophobicContact CB-CD2 4.08Å; S1567-L1571 WeakPolarHBondContact O-CB 3.31Å; S1567-L1571 VanDerWaalsContact O-CG 3.3Å; S1567-L1571 WeakPolarHBondContact O-CG 3.32Å; S1567-L1571 PolarHBondContact O-N 3.44Å; N1568-L1571 PolarHBondContact O-N 3.19Å; I1569-L1571 PolarHBondContact O-N 3.23Å; L1571-L1573 PolarHBondContact O-N 2.82Å; L1571-T1574 WeakPolarHBondContact O-CB 3.32Å; L1571-T1574 PolarHBondContact O-N 3.2Å; L1571-T1574 VanDerWaalsContact O-N 3.16Å; L1571-V1575 VanDerWaalsContact O-CG2 3.31Å; L1571-V1575 WeakPolarHBondContact O-CG2 3.24Å; L1571-V1575 PolarHBondContact O-N 3.16Å |
| 1572 | F | 92.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 177.1 | -73.5 | -41.2 | 0 | 0 | 0 | 113.2 | L1495 L1509 A1513 V1544 L1547 L1548 F1551 N1568 I1569 T1574 V1575 I1576 | L1495-F1572 HydrophobicContact CD2-CE1 4.07Å; L1495-F1572 HydrophobicContact CD2-CZ 4.34Å; L1509-F1572 HydrophobicContact CD1-CE2 4.21Å; L1509-F1572 HydrophobicContact CD1-CZ 3.57Å; L1509-F1572 HydrophobicContact CD2-CE2 3.99Å; L1509-F1572 HydrophobicContact CD2-CZ 4.2Å; L1509-F1572 HydrophobicContact CG-CE2 4Å; L1509-F1572 HydrophobicContact CG-CZ 3.74Å; A1513-F1572 HydrophobicContact CB-CD1 3.97Å; A1513-F1572 HydrophobicContact CB-CE1 3.58Å; A1513-F1572 HydrophobicContact CB-CE2 4.46Å; A1513-F1572 HydrophobicContact CB-CG 4.47Å; A1513-F1572 HydrophobicContact CB-CZ 3.9Å; V1544-F1572 HydrophobicContact CG1-CB 3.6Å; V1544-F1572 HydrophobicContact CG1-CD1 3.63Å; V1544-F1572 HydrophobicContact CG1-CG 3.81Å; V1544-F1572 HydrophobicContact CG2-CD1 4.22Å; V1544-F1572 HydrophobicContact CG2-CE1 4.5Å; L1547-F1572 HydrophobicContact CD1-CE2 4.49Å; L1547-F1572 HydrophobicContact CD1-CZ 4.19Å; L1548-F1572 HydrophobicContact CD1-CB 4.18Å; L1548-F1572 HydrophobicContact CD2-CB 3.79Å; L1548-F1572 HydrophobicContact CG-CB 3.94Å; F1551-F1572 HydrophobicContact CE2-CE2 4.44Å; N1568-F1572 HydrophobicContact CB-CD2 4.34Å; N1568-F1572 HydrophobicContact CB-CE2 4.11Å; N1568-F1572 WeakPolarHBondContact O-CB 3.35Å; N1568-F1572 WeakPolarHBondContact O-CD2 3.29Å; N1568-F1572 VanDerWaalsContact O-CG 3.3Å; N1568-F1572 WeakPolarHBondContact O-CG 3.42Å; N1568-F1572 PolarHBondContact O-N 3.16Å; I1569-F1572 PolarHBondContact O-N 3.07Å; F1572-T1574 VanDerWaalsContact C-N 3.3Å; F1572-T1574 PolarHBondContact O-N 3.17Å; F1572-V1575 WeakPolarHBondContact O-CB 3.28Å; F1572-V1575 PolarHBondContact O-N 3.21Å; F1572-I1576 WeakPolarHBondContact O-CG1 3.34Å; F1572-I1576 PolarHBondContact O-N 3.31Å |
| 1573 | L | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 172.1 | -72.4 | 172.7 | 0 | 0 | 0 | 111.4 | L1548 I1569 V1570 L1571 V1575 I1576 N1577 W1626 V1638 L1641 I1645 | L1548-L1573 HydrophobicContact CD1-CD2 4Å; L1548-L1573 HydrophobicContact CD1-CG 4.45Å; L1548-L1573 HydrophobicContact CD2-CD2 4.33Å; L1548-L1573 HydrophobicContact CD2-CG 4.16Å; I1569-L1573 HydrophobicContact CG2-CD1 3.78Å; I1569-L1573 HydrophobicContact CG2-CG 4.34Å; I1569-L1573 WeakPolarHBondContact O-CB 3.39Å; I1569-L1573 VanDerWaalsContact O-CG 3.25Å; I1569-L1573 WeakPolarHBondContact O-CG 3.31Å; I1569-L1573 PolarHBondContact O-N 3.1Å; V1570-L1573 PolarHBondContact O-N 3.09Å; L1571-L1573 PolarHBondContact O-N 2.82Å; L1573-V1575 VanDerWaalsContact C-N 3.34Å; L1573-V1575 PolarHBondContact O-N 2.72Å; L1573-I1576 PolarHBondContact O-N 3.22Å; L1573-N1577 VanDerWaalsContact O-CB 3.22Å; L1573-N1577 WeakPolarHBondContact O-CB 3.35Å; L1573-N1577 PolarHBondContact O-N 3.21Å; L1573-W1626 HydrophobicContact CD2-CE3 3.89Å; L1573-W1626 HydrophobicContact CD2-CH2 4.21Å; L1573-W1626 HydrophobicContact CD2-CZ3 3.32Å; L1573-V1638 HydrophobicContact CD1-CB 4.19Å; L1573-V1638 HydrophobicContact CD1-CG1 3.69Å; L1573-V1638 HydrophobicContact CD1-CG2 4.3Å; L1573-L1641 HydrophobicContact CB-CB 3.96Å; L1573-L1641 HydrophobicContact CB-CD1 3.81Å; L1573-L1641 HydrophobicContact CB-CG 4.49Å; L1573-L1641 HydrophobicContact CD1-CB 4.43Å; L1573-I1645 HydrophobicContact CD2-CD1 3.94Å |
| 1574 | T | 89.5 | Confident | 83.8 | Confident | 36.2 Ų | 36.2 | 15.8 Ų | 15.8 | 22% | 0.222 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.7 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | A1517 V1570 L1571 F1572 I1576 N1577 N1578 L1641 | A1517-T1574 HydrophobicContact CB-CG2 4.32Å; V1570-T1574 WeakPolarHBondContact O-CB 3.3Å; V1570-T1574 PolarHBondContact O-N 2.96Å; V1570-T1574 PolarHBondContact O-OG1 3.01Å; L1571-T1574 WeakPolarHBondContact O-CB 3.32Å; L1571-T1574 PolarHBondContact O-N 3.2Å; L1571-T1574 VanDerWaalsContact O-N 3.16Å; F1572-T1574 VanDerWaalsContact C-N 3.3Å; F1572-T1574 PolarHBondContact O-N 3.17Å; T1574-I1576 PolarHBondContact O-N 3.21Å; T1574-N1577 PolarHBondContact O-N 2.92Å; T1574-N1578 VanDerWaalsContact O-CB 3.29Å; T1574-N1578 WeakPolarHBondContact O-CB 3.27Å; T1574-N1578 PolarHBondContact O-N 3.17Å; T1574-N1578 PolarHBondContact O-ND2 3.07Å; T1574-N1578 PolarHBondContact O-OD1 2.88Å; T1574-L1641 WeakPolarHBondContact OG1-CD1 3.35Å |
| 1575 | V | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.4 | -51.6 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111 | L1516 A1517 T1520 L1540 V1544 L1571 F1572 L1573 N1577 N1578 L1579 | L1516-V1575 HydrophobicContact CB-CG1 4.45Å; L1516-V1575 HydrophobicContact CB-CG2 3.65Å; A1517-V1575 HydrophobicContact CB-CG2 4.03Å; A1517-V1575 VanDerWaalsContact N-CG2 3.32Å; T1520-V1575 HydrophobicContact CG2-CG1 4.21Å; L1540-V1575 HydrophobicContact CD2-CG1 3.99Å; V1544-V1575 HydrophobicContact CG2-CG1 4.36Å; L1571-V1575 VanDerWaalsContact O-CG2 3.31Å; L1571-V1575 WeakPolarHBondContact O-CG2 3.24Å; L1571-V1575 PolarHBondContact O-N 3.16Å; F1572-V1575 WeakPolarHBondContact O-CB 3.28Å; F1572-V1575 PolarHBondContact O-N 3.21Å; L1573-V1575 VanDerWaalsContact C-N 3.34Å; L1573-V1575 PolarHBondContact O-N 2.72Å; V1575-N1577 VanDerWaalsContact C-N 3.34Å; V1575-N1577 PolarHBondContact O-N 3.16Å; V1575-N1578 PolarHBondContact O-N 3.24Å; V1575-L1579 HydrophobicContact CG1-CD1 3.89Å; V1575-L1579 HydrophobicContact CG1-CG 4.47Å; V1575-L1579 WeakPolarHBondContact O-CB 3.42Å; V1575-L1579 VanDerWaalsContact O-CG 3.28Å; V1575-L1579 WeakPolarHBondContact O-CG 3.41Å; V1575-L1579 PolarHBondContact O-N 3.24Å |
| 1576 | I | 89.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.9 | -45.9 | 179.1 | -71.3 | -170.7 | 0 | 0 | 0 | 110.8 | V1544 L1548 F1572 L1573 T1574 N1578 L1579 I1580 W1626 I1645 | V1544-I1576 HydrophobicContact CB-CD1 4.34Å; V1544-I1576 HydrophobicContact CB-CG1 4.27Å; V1544-I1576 HydrophobicContact CG1-CD1 3.86Å; V1544-I1576 HydrophobicContact CG1-CG1 3.75Å; L1548-I1576 HydrophobicContact CD1-CD1 3.4Å; L1548-I1576 VanDerWaalsContact CD1-CD1 3.43Å; L1548-I1576 HydrophobicContact CD1-CG1 4.34Å; F1572-I1576 WeakPolarHBondContact O-CG1 3.34Å; F1572-I1576 PolarHBondContact O-N 3.31Å; L1573-I1576 PolarHBondContact O-N 3.22Å; T1574-I1576 PolarHBondContact O-N 3.21Å; I1576-N1578 VanDerWaalsContact C-N 3.29Å; I1576-N1578 PolarHBondContact O-N 3.2Å; I1576-L1579 PolarHBondContact O-N 3.18Å; I1576-I1580 HydrophobicContact CG2-CD1 3.3Å; I1576-I1580 HydrophobicContact CG2-CG1 4Å; I1576-I1580 WeakPolarHBondContact O-CB 3.43Å; I1576-I1580 VanDerWaalsContact O-CG1 3.25Å; I1576-I1580 WeakPolarHBondContact O-CG1 3.28Å; I1576-I1580 PolarHBondContact O-N 3.12Å; I1576-W1626 HydrophobicContact CD1-CH2 3.69Å; I1576-W1626 HydrophobicContact CD1-CZ2 3.56Å; I1576-W1626 HydrophobicContact CD1-CZ3 4.5Å; I1576-W1626 HydrophobicContact CG2-CH2 4.02Å; I1576-W1626 HydrophobicContact CG2-CZ2 4.42Å; I1576-I1645 HydrophobicContact CB-CD1 4.39Å; I1576-I1645 HydrophobicContact CG2-CD1 3.96Å; I1576-I1645 HydrophobicContact CG2-CG1 4.42Å |
| 1577 | N | 89.2 | Confident | 83.2 | Confident | 14.6 Ų | 14.6 | 19.3 Ų | 19.3 | 8% | 0.078 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 179.3 | -172.7 | 54.9 | 0 | 0 | 0 | 112.1 | L1573 T1574 V1575 H1581 L1641 S1644 I1645 R1648 | L1573-N1577 VanDerWaalsContact O-CB 3.22Å; L1573-N1577 WeakPolarHBondContact O-CB 3.35Å; L1573-N1577 PolarHBondContact O-N 3.21Å; T1574-N1577 PolarHBondContact O-N 2.92Å; V1575-N1577 VanDerWaalsContact C-N 3.34Å; V1575-N1577 PolarHBondContact O-N 3.16Å; N1577-H1581 VanDerWaalsContact O-CB 3.26Å; N1577-H1581 WeakPolarHBondContact O-CB 3.33Å; N1577-H1581 PolarHBondContact O-N 3.16Å; N1577-L1641 HydrophobicContact CB-CD2 4.45Å; N1577-S1644 VanDerWaalsContact CG-OG 3.29Å; N1577-S1644 PolarHBondContact ND2-OG 3.31Å; N1577-S1644 WeakPolarHBondContact OD1-CB 3.26Å; N1577-S1644 PolarHBondContact OD1-O 3.12Å; N1577-S1644 PolarHBondContact OD1-OG 3.14Å; N1577-I1645 HydrophobicContact CB-CD1 4.28Å; N1577-I1645 HydrophobicContact CB-CG1 3.82Å; N1577-R1648 PolarHBondContact ND2-NH1 3.42Å; N1577-R1648 PolarHBondContact ND2-NH2 3.38Å; N1577-R1648 PolarHBondContact O-NE 2.83Å; N1577-R1648 PolarHBondContact OD1-NH1 2.95Å |
| 1578 | N | 87.6 | Confident | 82.4 | Confident | 19.8 Ų | 19.8 | 22.4 Ų | 22.4 | 11% | 0.106 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 177.9 | -72.7 | -11.2 | 0 | 0 | 0 | 112.9 | A1517 T1520 T1574 V1575 I1576 H1581 T1582 | A1517-N1578 PolarHBondContact O-ND2 3.29Å; T1520-N1578 VanDerWaalsContact O-CB 3.25Å; T1520-N1578 WeakPolarHBondContact O-CB 3.3Å; T1520-N1578 PolarHBondContact OG1-ND2 3.2Å; T1574-N1578 VanDerWaalsContact O-CB 3.29Å; T1574-N1578 WeakPolarHBondContact O-CB 3.27Å; T1574-N1578 PolarHBondContact O-N 3.17Å; T1574-N1578 PolarHBondContact O-ND2 3.07Å; T1574-N1578 PolarHBondContact O-OD1 2.88Å; V1575-N1578 PolarHBondContact O-N 3.24Å; I1576-N1578 VanDerWaalsContact C-N 3.29Å; I1576-N1578 PolarHBondContact O-N 3.2Å; N1578-H1581 WeakPolarHBondContact O-CB 3.32Å; N1578-H1581 PolarHBondContact O-N 3.32Å; N1578-T1582 PolarHBondContact O-N 3.11Å; N1578-T1582 PolarHBondContact O-OG1 3.22Å; N1578-T1582 VanDerWaalsContact O-OG1 3.04Å |
| 1579 | L | 84.6 | Confident | 81.3 | Confident | 1.4 Ų | 1.4 | 22.6 Ų | 22.6 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -45.8 | 176.6 | -70.5 | 173.1 | 0 | 0 | 0 | 111.4 | T1520 V1528 I1537 L1540 I1541 V1575 I1576 H1581 T1582 L1583 | T1520-L1579 HydrophobicContact CG2-CD1 4.29Å; T1520-L1579 HydrophobicContact CG2-CD2 3.59Å; T1520-L1579 HydrophobicContact CG2-CG 3.83Å; V1528-L1579 HydrophobicContact CG1-CD2 4.43Å; I1537-L1579 HydrophobicContact CG1-CD2 4.37Å; I1537-L1579 HydrophobicContact CG2-CD2 4.17Å; L1540-L1579 HydrophobicContact CB-CD1 4.22Å; L1540-L1579 HydrophobicContact CD2-CD1 3.54Å; L1540-L1579 HydrophobicContact CD2-CD2 4.35Å; L1540-L1579 HydrophobicContact CD2-CG 4.47Å; L1540-L1579 HydrophobicContact CG-CD1 4.12Å; I1541-L1579 HydrophobicContact CD1-CB 4.21Å; I1541-L1579 HydrophobicContact CG1-CB 4.16Å; I1541-L1579 HydrophobicContact CG1-CD1 3.74Å; V1575-L1579 HydrophobicContact CG1-CD1 3.89Å; V1575-L1579 HydrophobicContact CG1-CG 4.47Å; V1575-L1579 WeakPolarHBondContact O-CB 3.42Å; V1575-L1579 VanDerWaalsContact O-CG 3.28Å; V1575-L1579 WeakPolarHBondContact O-CG 3.41Å; V1575-L1579 PolarHBondContact O-N 3.24Å; I1576-L1579 PolarHBondContact O-N 3.18Å; L1579-H1581 VanDerWaalsContact C-N 3.29Å; L1579-H1581 PolarHBondContact O-N 2.99Å; L1579-T1582 WeakPolarHBondContact O-CB 3.4Å; L1579-T1582 PolarHBondContact O-N 3.04Å; L1579-T1582 VanDerWaalsContact O-N 3.11Å; L1579-L1583 WeakPolarHBondContact O-CG 3.25Å; L1579-L1583 PolarHBondContact O-N 3.03Å |
| 1580 | I | 83.6 | Confident | 80.2 | Confident | 0.2 Ų | 0.2 | 27.1 Ų | 27.1 | 0% | 0.001 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.7 | -67 | 170.7 | 0 | 0 | 0 | 110.1 | I1576 T1582 L1583 S1584 W1621 I1645 R1648 W1655 | I1576-I1580 HydrophobicContact CG2-CD1 3.3Å; I1576-I1580 HydrophobicContact CG2-CG1 4Å; I1576-I1580 WeakPolarHBondContact O-CB 3.43Å; I1576-I1580 VanDerWaalsContact O-CG1 3.25Å; I1576-I1580 WeakPolarHBondContact O-CG1 3.28Å; I1576-I1580 PolarHBondContact O-N 3.12Å; I1580-T1582 VanDerWaalsContact C-N 3.29Å; I1580-T1582 PolarHBondContact O-N 2.97Å; I1580-L1583 PolarHBondContact O-N 3.13Å; I1580-S1584 VanDerWaalsContact O-CB 3.26Å; I1580-S1584 WeakPolarHBondContact O-CB 3.36Å; I1580-S1584 PolarHBondContact O-N 3.02Å; I1580-S1584 PolarHBondContact O-OG 3.02Å; I1580-S1584 VanDerWaalsContact O-OG 3.11Å; I1580-W1621 HydrophobicContact CD1-CE3 4.36Å; I1580-W1621 HydrophobicContact CD1-CH2 3.21Å; I1580-W1621 HydrophobicContact CD1-CZ2 3.76Å; I1580-W1621 HydrophobicContact CD1-CZ3 3.58Å; I1580-W1621 VanDerWaalsContact CD1-CZ3 3.49Å; I1580-W1621 HydrophobicContact CG1-CH2 3.96Å; I1580-W1621 HydrophobicContact CG1-CZ2 4Å; I1580-W1621 HydrophobicContact CG1-CZ3 4.49Å; I1580-I1645 HydrophobicContact CD1-CG1 4.42Å; I1580-I1645 HydrophobicContact CD1-CG2 3.64Å; I1580-R1648 HydrophobicContact CG2-CB 3.7Å; I1580-R1648 HydrophobicContact CG2-CG 4.5Å; I1580-W1655 HydrophobicContact CG2-CH2 4.5Å; I1580-W1655 HydrophobicContact CG2-CZ3 3.89Å |
| 1581 | H | 82.5 | Confident | 78.7 | Confident | 52 Ų | 52 | 33.1 Ų | 33.1 | 24% | 0.241 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 173.6 | -177 | 21.9 | 0 | 0 | 0 | 111.8 | N1577 N1578 L1579 L1583 S1584 V1585 R1648 | N1577-H1581 VanDerWaalsContact O-CB 3.26Å; N1577-H1581 WeakPolarHBondContact O-CB 3.33Å; N1577-H1581 PolarHBondContact O-N 3.16Å; N1578-H1581 WeakPolarHBondContact O-CB 3.32Å; N1578-H1581 PolarHBondContact O-N 3.32Å; L1579-H1581 VanDerWaalsContact C-N 3.29Å; L1579-H1581 PolarHBondContact O-N 2.99Å; H1581-L1583 VanDerWaalsContact C-N 3.34Å; H1581-L1583 PolarHBondContact O-N 2.89Å; H1581-S1584 PolarHBondContact O-OG 3.11Å; H1581-S1584 VanDerWaalsContact O-OG 3.14Å; H1581-V1585 VanDerWaalsContact O-CG2 3.25Å; H1581-V1585 WeakPolarHBondContact O-CG2 3.34Å; H1581-V1585 PolarHBondContact O-N 3.24Å; H1581-R1648 VanDerWaalsContact CB-NE 3.33Å; H1581-R1648 PolarHBondContact CD2-NH1 3.35Å; H1581-R1648 VanDerWaalsContact CD2-NH1 3.31Å; H1581-R1648 PolarHBondContact CD2-NH2 2.95Å; H1581-R1648 PolarHBondContact ND1-NE 3.08Å; H1581-R1648 PolarHBondContact NE2-NH1 3.48Å |
| 1582 | T | 77.3 | Confident | 77.2 | Confident | 1.6 Ų | 1.6 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | -179.7 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | K1525 V1528 L1529 N1578 L1579 I1580 Q1586 | K1525-T1582 HydrophobicContact CG-CG2 3.89Å; V1528-T1582 HydrophobicContact CG1-CG2 4.24Å; L1529-T1582 HydrophobicContact CD1-CG2 4.38Å; L1529-T1582 HydrophobicContact CD2-CG2 3.75Å; L1529-T1582 HydrophobicContact CG-CG2 3.9Å; N1578-T1582 PolarHBondContact O-N 3.11Å; N1578-T1582 PolarHBondContact O-OG1 3.22Å; N1578-T1582 VanDerWaalsContact O-OG1 3.04Å; L1579-T1582 WeakPolarHBondContact O-CB 3.4Å; L1579-T1582 PolarHBondContact O-N 3.04Å; L1579-T1582 VanDerWaalsContact O-N 3.11Å; I1580-T1582 VanDerWaalsContact C-N 3.29Å; I1580-T1582 PolarHBondContact O-N 2.97Å; T1582-Q1586 WeakPolarHBondContact O-CG 3.22Å |
| 1583 | L | 77.3 | Confident | 75.4 | Confident | 0.8 Ų | 0.8 | 37.6 Ų | 37.6 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.8 | -44.8 | 178.5 | -68.1 | 175.2 | 0 | 0 | 0 | 112.6 | I1537 I1541 L1579 I1580 H1581 V1585 Q1586 I1589 Y1618 W1655 | I1537-L1583 HydrophobicContact CG2-CD1 4.04Å; I1537-L1583 HydrophobicContact CG2-CD2 4.3Å; I1537-L1583 HydrophobicContact CG2-CG 4.28Å; I1541-L1583 HydrophobicContact CD1-CD1 3.53Å; I1541-L1583 VanDerWaalsContact CD1-CD1 3.43Å; L1579-L1583 WeakPolarHBondContact O-CG 3.25Å; L1579-L1583 PolarHBondContact O-N 3.03Å; I1580-L1583 PolarHBondContact O-N 3.13Å; H1581-L1583 VanDerWaalsContact C-N 3.34Å; H1581-L1583 PolarHBondContact O-N 2.89Å; L1583-V1585 PolarHBondContact O-N 3.11Å; L1583-V1585 VanDerWaalsContact O-N 3.12Å; L1583-Q1586 WeakPolarHBondContact O-CB 3.3Å; L1583-Q1586 PolarHBondContact O-N 3.03Å; L1583-I1589 HydrophobicContact CB-CD1 3.94Å; L1583-I1589 HydrophobicContact CD2-CD1 4.01Å; L1583-I1589 HydrophobicContact CG-CD1 4.44Å; L1583-I1589 WeakPolarHBondContact O-CD1 3.41Å; L1583-Y1618 HydrophobicContact CD1-CD1 4.18Å; L1583-Y1618 HydrophobicContact CD1-CE1 4.31Å; L1583-Y1618 HydrophobicContact CD2-CE1 4.31Å; L1583-W1655 HydrophobicContact CB-CH2 3.94Å |
| 1584 | S | 74.3 | Confident | 73.5 | Confident | 0.2 Ų | 0.2 | 39.3 Ų | 39.3 | 0% | 0.001 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -21.7 | -176.2 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | I1580 H1581 Q1590 | I1580-S1584 VanDerWaalsContact O-CB 3.26Å; I1580-S1584 WeakPolarHBondContact O-CB 3.36Å; I1580-S1584 PolarHBondContact O-N 3.02Å; I1580-S1584 PolarHBondContact O-OG 3.02Å; I1580-S1584 VanDerWaalsContact O-OG 3.11Å; H1581-S1584 PolarHBondContact O-OG 3.11Å; H1581-S1584 VanDerWaalsContact O-OG 3.14Å; S1584-Q1590 WeakPolarHBondContact O-CG 3.46Å; S1584-Q1590 PolarHBondContact O-NE2 3.02Å |
| 1585 | V | 71.8 | Confident | 71.7 | Confident | 62.8 Ų | 62.8 | 41.9 Ų | 41.9 | 38% | 0.381 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.3 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 112 | K1525 H1581 L1583 P1587 | K1525-V1585 VanDerWaalsContact NZ-CB 3.32Å; H1581-V1585 VanDerWaalsContact O-CG2 3.25Å; H1581-V1585 WeakPolarHBondContact O-CG2 3.34Å; H1581-V1585 PolarHBondContact O-N 3.24Å; L1583-V1585 PolarHBondContact O-N 3.11Å; L1583-V1585 VanDerWaalsContact O-N 3.12Å; V1585-P1587 WeakPolarHBondContact O-CD 3.33Å |
| 1586 | Q | 70.4 | Confident | 69.7 | Low | 32.6 Ų | 32.6 | 46.2 Ų | 46.2 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | trans | -70.8 | 125.5 | 178.1 | -68.5 | -172.6 | -30.4 | 0 | 0 | 110.5 | L1529 N1532 T1582 L1583 F1588 I1589 Q1590 | L1529-Q1586 HydrophobicContact CD2-CG 4.06Å; N1532-Q1586 PolarHBondContact ND2-NE2 3.15Å; T1582-Q1586 WeakPolarHBondContact O-CG 3.22Å; L1583-Q1586 WeakPolarHBondContact O-CB 3.3Å; L1583-Q1586 PolarHBondContact O-N 3.03Å; Q1586-F1588 VanDerWaalsContact C-N 3.27Å; Q1586-F1588 HydrophobicContact CB-CD1 3.94Å; Q1586-F1588 HydrophobicContact CB-CE1 3.85Å; Q1586-F1588 HydrophobicContact CB-CZ 4.38Å; Q1586-F1588 HydrophobicContact CG-CD1 4.5Å; Q1586-F1588 HydrophobicContact CG-CE1 4.23Å; Q1586-F1588 PolarHBondContact O-N 3.25Å; Q1586-F1588 VanDerWaalsContact OE1-CE1 3.31Å; Q1586-I1589 HydrophobicContact CB-CB 4.46Å; Q1586-I1589 HydrophobicContact CB-CD1 4.36Å; Q1586-I1589 HydrophobicContact CB-CG1 4.29Å; Q1586-I1589 PolarHBondContact O-N 3.15Å; Q1586-I1589 VanDerWaalsContact O-N 3.11Å; Q1586-I1589 VanDerWaalsContact OE1-CD1 3.28Å; Q1586-Q1590 PolarHBondContact O-N 3.1Å | ||
| 1587 | P | 64 | Low | 67.9 | Low | 84 Ų | 84 | 47.9 Ų | 47.9 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -32.1 | -176.3 | 22.8 | -31.9 | 0 | 0 | 0 | 112.2 | V1585 I1589 Q1590 Q1591 | V1585-P1587 WeakPolarHBondContact O-CD 3.33Å; P1587-I1589 VanDerWaalsContact C-N 3.32Å; P1587-I1589 PolarHBondContact O-N 3.15Å; P1587-Q1590 PolarHBondContact O-N 3.24Å; P1587-Q1591 WeakPolarHBondContact O-CB 3.3Å; P1587-Q1591 VanDerWaalsContact O-CG 3.27Å; P1587-Q1591 WeakPolarHBondContact O-CG 3.42Å; P1587-Q1591 PolarHBondContact O-N 3.29Å |
| 1588 | F | 66.6 | Low | 65.9 | Low | 107.4 Ų | 107.4 | 51.7 Ų | 51.7 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176 | 126.1 | -101.6 | 0 | 0 | 0 | 112 | Q1586 Q1591 L1592 F1615 | Q1586-F1588 VanDerWaalsContact C-N 3.27Å; Q1586-F1588 HydrophobicContact CB-CD1 3.94Å; Q1586-F1588 HydrophobicContact CB-CE1 3.85Å; Q1586-F1588 HydrophobicContact CB-CZ 4.38Å; Q1586-F1588 HydrophobicContact CG-CD1 4.5Å; Q1586-F1588 HydrophobicContact CG-CE1 4.23Å; Q1586-F1588 PolarHBondContact O-N 3.25Å; Q1586-F1588 VanDerWaalsContact OE1-CE1 3.31Å; F1588-Q1591 PolarHBondContact O-N 3.03Å; F1588-L1592 HydrophobicContact CD1-CD1 4.42Å; F1588-L1592 HydrophobicContact CD2-CD1 4.36Å; F1588-L1592 HydrophobicContact CE1-CD1 4.19Å; F1588-L1592 HydrophobicContact CE1-CD2 4.44Å; F1588-L1592 HydrophobicContact CE1-CG 4.39Å; F1588-L1592 HydrophobicContact CE2-CD1 4.26Å; F1588-L1592 HydrophobicContact CZ-CD1 4.46Å; F1588-L1592 HydrophobicContact CZ-CD2 4.27Å; F1588-L1592 HydrophobicContact CZ-CG 4.45Å; F1588-L1592 WeakPolarHBondContact O-CD1 3.35Å; F1588-L1592 WeakPolarHBondContact O-CG 3.37Å; F1588-L1592 PolarHBondContact O-N 3.18Å; F1588-F1615 AromaticContact CE1-CE1 3.71Å; F1588-F1615 HydrophobicContact CE1-CE1 3.71Å; F1588-F1615 AromaticContact CE1-CZ 3.79Å; F1588-F1615 HydrophobicContact CE1-CZ 3.79Å; F1588-F1615 AromaticContact CZ-CE1 3.94Å; F1588-F1615 HydrophobicContact CZ-CE1 3.94Å; F1588-F1615 AromaticContact CZ-CZ 3.52Å; F1588-F1615 HydrophobicContact CZ-CZ 3.52Å |
| 1589 | I | 62.8 | Low | 64 | Low | 6.4 Ų | 6.4 | 56.2 Ų | 56.2 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.9 | -36.6 | -178.7 | -65.4 | -178.6 | 0 | 0 | 0 | 111.1 | L1583 Q1586 P1587 Q1591 F1615 V1652 W1655 | L1583-I1589 HydrophobicContact CB-CD1 3.94Å; L1583-I1589 HydrophobicContact CD2-CD1 4.01Å; L1583-I1589 HydrophobicContact CG-CD1 4.44Å; L1583-I1589 WeakPolarHBondContact O-CD1 3.41Å; Q1586-I1589 HydrophobicContact CB-CB 4.46Å; Q1586-I1589 HydrophobicContact CB-CD1 4.36Å; Q1586-I1589 HydrophobicContact CB-CG1 4.29Å; Q1586-I1589 PolarHBondContact O-N 3.15Å; Q1586-I1589 VanDerWaalsContact O-N 3.11Å; Q1586-I1589 VanDerWaalsContact OE1-CD1 3.28Å; P1587-I1589 VanDerWaalsContact C-N 3.32Å; P1587-I1589 PolarHBondContact O-N 3.15Å; I1589-Q1591 VanDerWaalsContact C-N 3.33Å; I1589-Q1591 PolarHBondContact O-N 3.17Å; I1589-F1615 HydrophobicContact CG2-CE2 4.28Å; I1589-V1652 HydrophobicContact CG2-CB 4.47Å; I1589-V1652 HydrophobicContact CG2-CG1 3.76Å; I1589-V1652 HydrophobicContact CG2-CG2 3.92Å; I1589-W1655 HydrophobicContact CD1-CZ2 4.39Å; I1589-W1655 HydrophobicContact CG2-CH2 4.23Å; I1589-W1655 HydrophobicContact CG2-CZ2 4.17Å |
| 1590 | Q | 61.9 | Low | 62.1 | Low | 96 Ų | 96 | 59.1 Ų | 59.1 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.1 | -29 | 177.9 | -66.7 | -178.1 | -4.4 | 0 | 0 | 113.1 | S1584 Q1586 P1587 | S1584-Q1590 WeakPolarHBondContact O-CG 3.46Å; S1584-Q1590 PolarHBondContact O-NE2 3.02Å; Q1586-Q1590 PolarHBondContact O-N 3.1Å; P1587-Q1590 PolarHBondContact O-N 3.24Å |
| 1591 | Q | 59 | Low | 60.1 | Low | 155.2 Ų | 155.2 | 62.4 Ų | 62.4 | 73% | 0.725 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -7.1 | -176.9 | -73.3 | 179.1 | -5.7 | 0 | 0 | 114.3 | P1587 F1588 I1589 D1593 | P1587-Q1591 WeakPolarHBondContact O-CB 3.3Å; P1587-Q1591 VanDerWaalsContact O-CG 3.27Å; P1587-Q1591 WeakPolarHBondContact O-CG 3.42Å; P1587-Q1591 PolarHBondContact O-N 3.29Å; F1588-Q1591 PolarHBondContact O-N 3.03Å; I1589-Q1591 VanDerWaalsContact C-N 3.33Å; I1589-Q1591 PolarHBondContact O-N 3.17Å; Q1591-D1593 PolarHBondContact O-N 3.17Å; Q1591-D1593 VanDerWaalsContact O-N 3.13Å |
| 1592 | L | 57.2 | Low | 58.3 | Low | 35.6 Ų | 35.6 | 65.3 Ų | 65.3 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | trans | -65.1 | 115.1 | 177.4 | -77.2 | 159.1 | 0 | 0 | 0 | 109.7 | F1588 F1615 I1654 | F1588-L1592 HydrophobicContact CD1-CD1 4.42Å; F1588-L1592 HydrophobicContact CD2-CD1 4.36Å; F1588-L1592 HydrophobicContact CE1-CD1 4.19Å; F1588-L1592 HydrophobicContact CE1-CD2 4.44Å; F1588-L1592 HydrophobicContact CE1-CG 4.39Å; F1588-L1592 HydrophobicContact CE2-CD1 4.26Å; F1588-L1592 HydrophobicContact CZ-CD1 4.46Å; F1588-L1592 HydrophobicContact CZ-CD2 4.27Å; F1588-L1592 HydrophobicContact CZ-CG 4.45Å; F1588-L1592 WeakPolarHBondContact O-CD1 3.35Å; F1588-L1592 WeakPolarHBondContact O-CG 3.37Å; F1588-L1592 PolarHBondContact O-N 3.18Å; L1592-F1615 HydrophobicContact CD1-CD1 4.3Å; L1592-F1615 HydrophobicContact CD1-CD2 3.62Å; L1592-F1615 HydrophobicContact CD1-CE1 3.76Å; L1592-F1615 VanDerWaalsContact CD1-CE1 3.44Å; L1592-F1615 HydrophobicContact CD1-CE2 3.49Å; L1592-F1615 VanDerWaalsContact CD1-CE2 3.41Å; L1592-F1615 HydrophobicContact CD1-CG 4.15Å; L1592-F1615 HydrophobicContact CD1-CZ 4.15Å; L1592-F1615 HydrophobicContact CD2-CE1 3.48Å; L1592-F1615 VanDerWaalsContact CD2-CE1 3.44Å; L1592-F1615 HydrophobicContact CD2-CE2 4.48Å; L1592-F1615 HydrophobicContact CD2-CZ 3.52Å; L1592-F1615 VanDerWaalsContact CD2-CZ 3.49Å; L1592-F1615 HydrophobicContact CG-CE1 4.15Å; L1592-I1654 HydrophobicContact CB-CD1 3.51Å; L1592-I1654 VanDerWaalsContact CB-CD1 3.46Å; L1592-I1654 VanDerWaalsContact O-CD1 3.27Å; L1592-I1654 WeakPolarHBondContact O-CD1 3.27Å | ||
| 1593 | D | 53.9 | Low | 56.7 | Low | 82.4 Ų | 82.4 | 70.5 Ų | 70.5 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | trans | -81.6 | 142 | 175.1 | -145.8 | -11.3 | 0 | 0 | 0 | 109.8 | Q1591 N1595 D1596 V1597 | Q1591-D1593 PolarHBondContact O-N 3.17Å; Q1591-D1593 VanDerWaalsContact O-N 3.13Å; D1593-N1595 PolarHBondContact O-N 3.14Å; D1593-N1595 VanDerWaalsContact O-N 3.15Å; D1593-D1596 WeakPolarHBondContact O-CB 3.23Å; D1593-D1596 PolarHBondContact O-N 3.17Å; D1593-D1596 VanDerWaalsContact O-N 3.13Å; D1593-V1597 PolarHBondContact O-N 3.32Å | ||
| 1594 | L | 50.8 | Low | 55 | Low | 36.4 Ų | 36.4 | 74.9 Ų | 74.9 | 19% | 0.191 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.2 | -29 | 179.9 | -107.8 | 133.8 | 0 | 0 | 0 | 112.3 | D1596 V1597 L1598 P1653 I1654 Q1657 | L1594-D1596 VanDerWaalsContact C-N 3.3Å; L1594-D1596 PolarHBondContact O-N 2.93Å; L1594-V1597 WeakPolarHBondContact O-CB 3.15Å; L1594-V1597 PolarHBondContact O-N 3.1Å; L1594-V1597 VanDerWaalsContact O-N 3.11Å; L1594-L1598 HydrophobicContact CD2-CD1 3.67Å; L1594-L1598 HydrophobicContact CG-CD1 4.2Å; L1594-L1598 WeakPolarHBondContact O-CB 3.36Å; L1594-L1598 WeakPolarHBondContact O-CG 3.5Å; L1594-L1598 PolarHBondContact O-N 3.12Å; L1594-L1598 VanDerWaalsContact O-N 3.11Å; L1594-P1653 HydrophobicContact CD1-CB 4.41Å; L1594-I1654 HydrophobicContact CD1-CB 4.38Å; L1594-I1654 HydrophobicContact CD1-CG1 3.91Å; L1594-I1654 HydrophobicContact CD1-CG2 4.38Å; L1594-I1654 HydrophobicContact CD2-CB 4.38Å; L1594-I1654 HydrophobicContact CD2-CG1 4.11Å; L1594-I1654 HydrophobicContact CG-CG1 4.02Å; L1594-Q1657 HydrophobicContact CD1-CB 4.42Å; L1594-Q1657 HydrophobicContact CD1-CG 4.49Å; L1594-Q1657 VanDerWaalsContact CD2-NE2 3.34Å |
| 1595 | N | 50.4 | Low | 53.5 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 177.6 | -67.8 | -35.8 | 0 | 0 | 0 | 112 | D1593 V1597 L1598 L1599 | D1593-N1595 PolarHBondContact O-N 3.14Å; D1593-N1595 VanDerWaalsContact O-N 3.15Å; N1595-V1597 VanDerWaalsContact C-N 3.3Å; N1595-V1597 PolarHBondContact O-N 3.29Å; N1595-L1598 PolarHBondContact O-N 2.96Å; N1595-L1599 HydrophobicContact CB-CD1 4.31Å; N1595-L1599 VanDerWaalsContact O-CB 3.26Å; N1595-L1599 WeakPolarHBondContact O-CB 3.34Å; N1595-L1599 WeakPolarHBondContact O-CD1 3.41Å; N1595-L1599 VanDerWaalsContact O-CG 3.28Å; N1595-L1599 WeakPolarHBondContact O-CG 3.25Å; N1595-L1599 PolarHBondContact O-N 3.13Å |
| 1596 | D | 49.5 | Very low | 52 | Low | 91.4 Ų | 91.4 | 84.6 Ų | 84.6 | 49% | 0.489 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 176.9 | -68.2 | -23.5 | 0 | 0 | 0 | 110.9 | D1593 L1594 D1600 M1612 | D1593-D1596 WeakPolarHBondContact O-CB 3.23Å; D1593-D1596 PolarHBondContact O-N 3.17Å; D1593-D1596 VanDerWaalsContact O-N 3.13Å; L1594-D1596 VanDerWaalsContact C-N 3.3Å; L1594-D1596 PolarHBondContact O-N 2.93Å; D1596-D1600 VanDerWaalsContact O-CB 3.32Å; D1596-D1600 WeakPolarHBondContact O-CB 3.13Å; D1596-D1600 PolarHBondContact O-N 3.22Å; D1596-M1612 HydrophobicContact CB-CE 4.35Å; D1596-M1612 WeakPolarHBondContact O-CE 3.48Å |
| 1597 | V | 50.4 | Low | 50.8 | Low | 36 Ų | 36 | 90.5 Ų | 90.5 | 22% | 0.218 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | D1593 L1594 N1595 S1601 M1612 F1615 I1654 | D1593-V1597 PolarHBondContact O-N 3.32Å; L1594-V1597 WeakPolarHBondContact O-CB 3.15Å; L1594-V1597 PolarHBondContact O-N 3.1Å; L1594-V1597 VanDerWaalsContact O-N 3.11Å; N1595-V1597 VanDerWaalsContact C-N 3.3Å; N1595-V1597 PolarHBondContact O-N 3.29Å; V1597-S1601 WeakPolarHBondContact O-CB 3.37Å; V1597-S1601 PolarHBondContact O-N 3.16Å; V1597-M1612 HydrophobicContact CB-CE 4.16Å; V1597-M1612 HydrophobicContact CG1-CE 4.34Å; V1597-M1612 HydrophobicContact CG1-SD 4.4Å; V1597-M1612 HydrophobicContact CG2-CE 3.81Å; V1597-M1612 HydrophobicContact CG2-SD 4.47Å; V1597-F1615 HydrophobicContact CG2-CE1 4.41Å; V1597-I1654 HydrophobicContact CG2-CD1 3.98Å; V1597-I1654 HydrophobicContact CG2-CG1 4.43Å |
| 1598 | L | 47.5 | Very low | 49.7 | Very low | 93.8 Ų | 93.8 | 92.2 Ų | 92.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78 | -35.5 | -178.5 | -73.5 | 170.5 | 0 | 0 | 0 | 113 | L1594 N1595 S1601 N1602 | L1594-L1598 HydrophobicContact CD2-CD1 3.67Å; L1594-L1598 HydrophobicContact CG-CD1 4.2Å; L1594-L1598 WeakPolarHBondContact O-CB 3.36Å; L1594-L1598 WeakPolarHBondContact O-CG 3.5Å; L1594-L1598 PolarHBondContact O-N 3.12Å; L1594-L1598 VanDerWaalsContact O-N 3.11Å; N1595-L1598 PolarHBondContact O-N 2.96Å; L1598-S1601 PolarHBondContact O-N 3.28Å; L1598-S1601 PolarHBondContact O-OG 3.24Å; L1598-N1602 PolarHBondContact O-N 3.27Å; L1598-N1602 PolarHBondContact O-ND2 2.92Å |
| 1599 | L | 47.9 | Very low | 48.7 | Very low | 113 Ų | 113 | 90.7 Ų | 90.7 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.5 | -36.5 | 177.9 | -75.3 | 162.6 | 0 | 0 | 0 | 112 | N1595 S1601 N1602 N1603 | N1595-L1599 HydrophobicContact CB-CD1 4.31Å; N1595-L1599 VanDerWaalsContact O-CB 3.26Å; N1595-L1599 WeakPolarHBondContact O-CB 3.34Å; N1595-L1599 WeakPolarHBondContact O-CD1 3.41Å; N1595-L1599 VanDerWaalsContact O-CG 3.28Å; N1595-L1599 WeakPolarHBondContact O-CG 3.25Å; N1595-L1599 PolarHBondContact O-N 3.13Å; L1599-S1601 VanDerWaalsContact C-N 3.35Å; L1599-N1602 PolarHBondContact O-N 2.99Å; L1599-N1603 PolarHBondContact O-N 3.26Å |
| 1600 | D | 44.2 | Very low | 47.9 | Very low | 62.4 Ų | 62.4 | 96.1 Ų | 96.1 | 33% | 0.334 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -78.8 | -24.3 | 178.2 | -85.4 | -11.2 | 0 | 0 | 0 | 113.5 | D1596 N1602 N1603 M1612 | D1596-D1600 VanDerWaalsContact O-CB 3.32Å; D1596-D1600 WeakPolarHBondContact O-CB 3.13Å; D1596-D1600 PolarHBondContact O-N 3.22Å; D1600-N1602 VanDerWaalsContact C-N 3.32Å; D1600-N1602 PolarHBondContact O-N 3.23Å; D1600-N1602 VanDerWaalsContact O-N 3.16Å; D1600-N1603 CarbonylContact O-C 3.4Å; D1600-N1603 PolarHBondContact O-N 3.4Å; D1600-N1603 VanDerWaalsContact O-N 3.1Å; D1600-M1612 HydrophobicContact CB-CE 4.44Å; D1600-M1612 HydrophobicContact CB-CG 4.25Å; D1600-M1612 HydrophobicContact CB-SD 4.34Å |
| 1601 | S | 43.5 | Very low | 47.2 | Very low | 69.8 Ų | 69.8 | 96.9 Ų | 96.9 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -26.1 | 173.8 | 96.7 | 0 | 0 | 0 | 0 | 113.1 | V1597 L1598 L1599 | V1597-S1601 WeakPolarHBondContact O-CB 3.37Å; V1597-S1601 PolarHBondContact O-N 3.16Å; L1598-S1601 PolarHBondContact O-N 3.28Å; L1598-S1601 PolarHBondContact O-OG 3.24Å; L1599-S1601 VanDerWaalsContact C-N 3.35Å |
| 1602 | N | 44.4 | Very low | 46.5 | Very low | 114.2 Ų | 114.2 | 91.4 Ų | 91.4 | 61% | 0.611 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -92.7 | -15.6 | -179.5 | -77.9 | -23.5 | 0 | 0 | 0 | 113.3 | L1598 L1599 D1600 S1604 R1752 | L1598-N1602 PolarHBondContact O-N 3.27Å; L1598-N1602 PolarHBondContact O-ND2 2.92Å; L1599-N1602 PolarHBondContact O-N 2.99Å; D1600-N1602 VanDerWaalsContact C-N 3.32Å; D1600-N1602 PolarHBondContact O-N 3.23Å; D1600-N1602 VanDerWaalsContact O-N 3.16Å; N1602-S1604 PolarHBondContact O-N 2.59Å; N1602-R1752 VanDerWaalsContact CB-NH2 3.31Å; N1602-R1752 PolarHBondContact ND2-NE 2.76Å; N1602-R1752 VanDerWaalsContact ND2-NE 3.12Å; N1602-R1752 VanDerWaalsContact OD1-CZ 3.31Å; N1602-R1752 PolarHBondContact OD1-NE 3.18Å; N1602-R1752 PolarHBondContact OD1-NH2 3.27Å |
| 1603 | N | 43.4 | Very low | 46.3 | Very low | 110.4 Ų | 110.4 | 93.5 Ų | 93.5 | 59% | 0.59 | 51% | 0.512 | S | S | * | . | trans | -104.4 | 62.7 | 177 | -80.3 | -22 | 0 | 0 | 0 | 110.9 | L1599 D1600 N1605 | L1599-N1603 PolarHBondContact O-N 3.26Å; D1600-N1603 CarbonylContact O-C 3.4Å; D1600-N1603 PolarHBondContact O-N 3.4Å; D1600-N1603 VanDerWaalsContact O-N 3.1Å; N1603-N1605 PolarHBondContact O-N 3.17Å | ||
| 1604 | S | 41 | Very low | 46.3 | Very low | 92 Ų | 92 | 92.3 Ų | 92.3 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 26.9 | -178.2 | 94.3 | 0 | 0 | 0 | 0 | 115.2 | N1602 | N1602-S1604 PolarHBondContact O-N 2.59Š|
| 1605 | N | 42.9 | Very low | 46.7 | Very low | 141.2 Ų | 141.2 | 92.3 Ų | 92.3 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 22.8 | -175 | -84.9 | -4.3 | 0 | 0 | 0 | 114.8 | N1603 N1607 N1608 | N1603-N1605 PolarHBondContact O-N 3.17Å; N1605-N1607 PolarHBondContact O-N 2.99Å; N1605-N1608 PolarHBondContact O-N 3.45Å |
| 1606 | N | 41 | Very low | 47.2 | Very low | 126 Ų | 126 | 94.1 Ų | 94.1 | 67% | 0.674 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -106.7 | 115.7 | -178.9 | -82.6 | -22.5 | 0 | 0 | 0 | 114.6 | N1608 N1609 | N1606-N1608 VanDerWaalsContact C-N 3.26Å; N1606-N1608 PolarHBondContact O-N 3.04Å; N1606-N1609 PolarHBondContact O-N 3.02Å; N1606-N1609 VanDerWaalsContact O-N 3.08Å; N1606-N1609 PolarHBondContact O-OD1 3.36Å |
| 1607 | N | 44.2 | Very low | 47.9 | Very low | 157.4 Ų | 157.4 | 93.2 Ų | 93.2 | 84% | 0.842 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 6.4 | 179.3 | -70 | -14.7 | 0 | 0 | 0 | 117.6 | N1605 N1609 | N1605-N1607 PolarHBondContact O-N 2.99Å; N1607-N1609 PolarHBondContact O-N 3.19Å |
| 1608 | N | 42.2 | Very low | 48.6 | Very low | 119.4 Ų | 119.4 | 92.6 Ų | 92.6 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.3 | 172.8 | -74.9 | -5.7 | 0 | 0 | 0 | 113 | N1605 N1606 D1610 N1611 M1612 | N1605-N1608 PolarHBondContact O-N 3.45Å; N1606-N1608 VanDerWaalsContact C-N 3.26Å; N1606-N1608 PolarHBondContact O-N 3.04Å; N1608-D1610 VanDerWaalsContact C-N 3.29Å; N1608-D1610 PolarHBondContact O-N 3.14Å; N1608-D1610 VanDerWaalsContact O-N 3.15Å; N1608-N1611 PolarHBondContact O-N 2.98Å; N1608-M1612 PolarHBondContact O-N 3.47Å |
| 1609 | N | 43.9 | Very low | 49.7 | Very low | 76.2 Ų | 76.2 | 89.4 Ų | 89.4 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -20.6 | -177.4 | -81.4 | -13.7 | 0 | 0 | 0 | 114.8 | N1606 N1607 N1611 M1612 N1613 | N1606-N1609 PolarHBondContact O-N 3.02Å; N1606-N1609 VanDerWaalsContact O-N 3.08Å; N1606-N1609 PolarHBondContact O-OD1 3.36Å; N1607-N1609 PolarHBondContact O-N 3.19Å; N1609-N1611 PolarHBondContact O-N 3.24Å; N1609-M1612 PolarHBondContact O-N 3.11Å; N1609-N1613 WeakPolarHBondContact O-CB 3.33Å; N1609-N1613 VanDerWaalsContact O-CG 3.31Å; N1609-N1613 PolarHBondContact O-N 3.18Å; N1609-N1613 PolarHBondContact O-ND2 3.27Å |
| 1610 | D | 47.4 | Very low | 50.9 | Low | 119.8 Ų | 119.8 | 86.3 Ų | 86.3 | 64% | 0.641 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.7 | -36.7 | -176.1 | -73.7 | -19.9 | 0 | 0 | 0 | 113.1 | N1608 N1614 | N1608-D1610 VanDerWaalsContact C-N 3.29Å; N1608-D1610 PolarHBondContact O-N 3.14Å; N1608-D1610 VanDerWaalsContact O-N 3.15Å; D1610-N1614 WeakPolarHBondContact O-CB 3.24Å; D1610-N1614 VanDerWaalsContact O-CG 3.27Å; D1610-N1614 PolarHBondContact O-N 3.21Å; D1610-N1614 VanDerWaalsContact O-N 3.1Å; D1610-N1614 PolarHBondContact O-ND2 2.97Å |
| 1611 | N | 46.6 | Very low | 52.6 | Low | 112.4 Ų | 112.4 | 83.4 Ų | 83.4 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.1 | -43.8 | 177.3 | -75.4 | -13.4 | 0 | 0 | 0 | 111.3 | N1608 N1609 N1613 N1614 F1615 | N1608-N1611 PolarHBondContact O-N 2.98Å; N1609-N1611 PolarHBondContact O-N 3.24Å; N1611-N1613 VanDerWaalsContact C-N 3.34Å; N1611-N1613 PolarHBondContact O-N 3.22Å; N1611-N1614 PolarHBondContact O-N 3.27Å; N1611-N1614 VanDerWaalsContact O-N 3.13Å; N1611-F1615 HydrophobicContact CB-CD2 4.43Å; N1611-F1615 HydrophobicContact CB-CE2 4.23Å; N1611-F1615 WeakPolarHBondContact O-CB 3.49Å; N1611-F1615 WeakPolarHBondContact O-CD2 3.38Å; N1611-F1615 PolarHBondContact O-N 3.16Å; N1611-F1615 VanDerWaalsContact O-N 3.15Å |
| 1612 | M | 44.5 | Very low | 54.2 | Low | 38.8 Ų | 38.8 | 80.1 Ų | 80.1 | 19% | 0.191 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.5 | -82 | -64.5 | -115.5 | 0 | 0 | 112.9 | D1596 V1597 D1600 N1608 N1609 N1614 F1615 Q1616 | D1596-M1612 HydrophobicContact CB-CE 4.35Å; D1596-M1612 WeakPolarHBondContact O-CE 3.48Å; V1597-M1612 HydrophobicContact CB-CE 4.16Å; V1597-M1612 HydrophobicContact CG1-CE 4.34Å; V1597-M1612 HydrophobicContact CG1-SD 4.4Å; V1597-M1612 HydrophobicContact CG2-CE 3.81Å; V1597-M1612 HydrophobicContact CG2-SD 4.47Å; D1600-M1612 HydrophobicContact CB-CE 4.44Å; D1600-M1612 HydrophobicContact CB-CG 4.25Å; D1600-M1612 HydrophobicContact CB-SD 4.34Å; N1608-M1612 PolarHBondContact O-N 3.47Å; N1609-M1612 PolarHBondContact O-N 3.11Å; M1612-N1614 VanDerWaalsContact C-N 3.3Å; M1612-N1614 PolarHBondContact O-N 3.06Å; M1612-F1615 CarbonylContact O-C 3.53Å; M1612-F1615 WeakPolarHBondContact O-CB 3.42Å; M1612-F1615 PolarHBondContact O-N 3.2Å; M1612-F1615 VanDerWaalsContact O-N 3.12Å; M1612-Q1616 WeakPolarHBondContact O-CB 2.9Å; M1612-Q1616 WeakPolarHBondContact O-CG 3.49Å; M1612-Q1616 PolarHBondContact O-N 3.09Å |
| 1613 | N | 52 | Low | 55.7 | Low | 79.6 Ų | 79.6 | 77.5 Ų | 77.5 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 173.5 | -80.1 | -23.8 | 0 | 0 | 0 | 111.5 | N1609 N1611 F1615 Q1616 K1617 | N1609-N1613 WeakPolarHBondContact O-CB 3.33Å; N1609-N1613 VanDerWaalsContact O-CG 3.31Å; N1609-N1613 PolarHBondContact O-N 3.18Å; N1609-N1613 PolarHBondContact O-ND2 3.27Å; N1611-N1613 VanDerWaalsContact C-N 3.34Å; N1611-N1613 PolarHBondContact O-N 3.22Å; N1613-F1615 VanDerWaalsContact C-N 3.34Å; N1613-Q1616 PolarHBondContact O-N 3.11Å; N1613-K1617 WeakPolarHBondContact O-CD 3.38Å; N1613-K1617 WeakPolarHBondContact O-CE 3.46Å; N1613-K1617 VanDerWaalsContact O-CG 3.27Å; N1613-K1617 WeakPolarHBondContact O-CG 3.34Å; N1613-K1617 PolarHBondContact O-N 3.1Å; N1613-K1617 VanDerWaalsContact O-N 3.13Å |
| 1614 | N | 55.4 | Low | 57.4 | Low | 58.4 Ų | 58.4 | 75 Ų | 75 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 174.8 | -74.9 | -21.4 | 0 | 0 | 0 | 112.3 | D1610 N1611 M1612 K1617 Y1618 | D1610-N1614 WeakPolarHBondContact O-CB 3.24Å; D1610-N1614 VanDerWaalsContact O-CG 3.27Å; D1610-N1614 PolarHBondContact O-N 3.21Å; D1610-N1614 VanDerWaalsContact O-N 3.1Å; D1610-N1614 PolarHBondContact O-ND2 2.97Å; N1611-N1614 PolarHBondContact O-N 3.27Å; N1611-N1614 VanDerWaalsContact O-N 3.13Å; M1612-N1614 VanDerWaalsContact C-N 3.3Å; M1612-N1614 PolarHBondContact O-N 3.06Å; N1614-K1617 WeakPolarHBondContact O-CB 3.29Å; N1614-K1617 PolarHBondContact O-N 2.98Å; N1614-K1617 PolarHBondContact OD1-NZ 3.19Å; N1614-Y1618 WeakPolarHBondContact O-CD2 3.36Å; N1614-Y1618 WeakPolarHBondContact O-CE2 3.19Å; N1614-Y1618 PolarHBondContact O-N 3.2Å |
| 1615 | F | 58 | Low | 59.4 | Low | 35.6 Ų | 35.6 | 71.8 Ų | 71.8 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 174.7 | -107.8 | -80.9 | 0 | 0 | 0 | 112.9 | F1588 I1589 L1592 V1597 N1611 M1612 N1613 K1617 Y1618 L1619 I1654 W1655 | F1588-F1615 AromaticContact CE1-CE1 3.71Å; F1588-F1615 HydrophobicContact CE1-CE1 3.71Å; F1588-F1615 AromaticContact CE1-CZ 3.79Å; F1588-F1615 HydrophobicContact CE1-CZ 3.79Å; F1588-F1615 AromaticContact CZ-CE1 3.94Å; F1588-F1615 HydrophobicContact CZ-CE1 3.94Å; F1588-F1615 AromaticContact CZ-CZ 3.52Å; F1588-F1615 HydrophobicContact CZ-CZ 3.52Å; I1589-F1615 HydrophobicContact CG2-CE2 4.28Å; L1592-F1615 HydrophobicContact CD1-CD1 4.3Å; L1592-F1615 HydrophobicContact CD1-CD2 3.62Å; L1592-F1615 HydrophobicContact CD1-CE1 3.76Å; L1592-F1615 VanDerWaalsContact CD1-CE1 3.44Å; L1592-F1615 HydrophobicContact CD1-CE2 3.49Å; L1592-F1615 VanDerWaalsContact CD1-CE2 3.41Å; L1592-F1615 HydrophobicContact CD1-CG 4.15Å; L1592-F1615 HydrophobicContact CD1-CZ 4.15Å; L1592-F1615 HydrophobicContact CD2-CE1 3.48Å; L1592-F1615 VanDerWaalsContact CD2-CE1 3.44Å; L1592-F1615 HydrophobicContact CD2-CE2 4.48Å; L1592-F1615 HydrophobicContact CD2-CZ 3.52Å; L1592-F1615 VanDerWaalsContact CD2-CZ 3.49Å; L1592-F1615 HydrophobicContact CG-CE1 4.15Å; V1597-F1615 HydrophobicContact CG2-CE1 4.41Å; N1611-F1615 HydrophobicContact CB-CD2 4.43Å; N1611-F1615 HydrophobicContact CB-CE2 4.23Å; N1611-F1615 WeakPolarHBondContact O-CB 3.49Å; N1611-F1615 WeakPolarHBondContact O-CD2 3.38Å; N1611-F1615 PolarHBondContact O-N 3.16Å; N1611-F1615 VanDerWaalsContact O-N 3.15Å; M1612-F1615 CarbonylContact O-C 3.53Å; M1612-F1615 WeakPolarHBondContact O-CB 3.42Å; M1612-F1615 PolarHBondContact O-N 3.2Å; M1612-F1615 VanDerWaalsContact O-N 3.12Å; N1613-F1615 VanDerWaalsContact C-N 3.34Å; F1615-K1617 VanDerWaalsContact C-N 3.25Å; F1615-K1617 PolarHBondContact O-N 3.24Å; F1615-Y1618 WeakPolarHBondContact O-CA 3.47Å; F1615-Y1618 WeakPolarHBondContact O-CB 3.27Å; F1615-Y1618 PolarHBondContact O-N 3.09Å; F1615-L1619 HydrophobicContact CD1-CD1 3.54Å; F1615-L1619 HydrophobicContact CD1-CG 4.42Å; F1615-L1619 HydrophobicContact CE1-CD1 3.54Å; F1615-L1619 HydrophobicContact CE1-CD2 4.37Å; F1615-L1619 HydrophobicContact CE1-CG 4.16Å; F1615-L1619 HydrophobicContact CG-CD1 4.43Å; F1615-L1619 HydrophobicContact CZ-CD1 4.41Å; F1615-L1619 VanDerWaalsContact O-CD1 3.29Å; F1615-L1619 WeakPolarHBondContact O-CD1 3.46Å; F1615-L1619 PolarHBondContact O-N 3.08Å; F1615-I1654 HydrophobicContact CE1-CD1 4.13Å; F1615-I1654 HydrophobicContact CE1-CG2 4.09Å; F1615-I1654 HydrophobicContact CZ-CB 4.5Å; F1615-I1654 HydrophobicContact CZ-CD1 4.03Å; F1615-I1654 HydrophobicContact CZ-CG2 4.36Å; F1615-W1655 AromaticContact CZ-NE1 3.84Å |
| 1616 | Q | 61.1 | Low | 61.5 | Low | 127.4 Ų | 127.4 | 65.1 Ų | 65.1 | 60% | 0.595 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.3 | -32.2 | 178.5 | -118.7 | 169.3 | -11.1 | 0 | 0 | 112.3 | M1612 N1613 Y1618 L1619 S1620 | M1612-Q1616 WeakPolarHBondContact O-CB 2.9Å; M1612-Q1616 WeakPolarHBondContact O-CG 3.49Å; M1612-Q1616 PolarHBondContact O-N 3.09Å; N1613-Q1616 PolarHBondContact O-N 3.11Å; Q1616-Y1618 VanDerWaalsContact C-N 3.27Å; Q1616-Y1618 PolarHBondContact O-N 3.21Å; Q1616-L1619 HydrophobicContact CG-CD1 4.43Å; Q1616-L1619 PolarHBondContact O-N 3.23Å; Q1616-L1619 VanDerWaalsContact O-N 3.08Å; Q1616-S1620 PolarHBondContact O-N 3.29Å; Q1616-S1620 PolarHBondContact O-OG 2.93Å |
| 1617 | K | 63.6 | Low | 63.7 | Low | 74.4 Ų | 74.4 | 59.1 Ų | 59.1 | 32% | 0.323 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.6 | -28.3 | 172.7 | -72.1 | 169 | -165.1 | 170.2 | 0 | 113.1 | E1535 N1542 N1613 N1614 F1615 S1620 | E1535-K1617 IonicContact OE1-NZ 3.25Å; E1535-K1617 PolarHBondContact OE1-NZ 3.33Å; N1542-K1617 PolarHBondContact ND2-O 3.21Å; N1542-K1617 PolarHBondContact OD1-O 3.03Å; N1613-K1617 WeakPolarHBondContact O-CD 3.38Å; N1613-K1617 WeakPolarHBondContact O-CE 3.46Å; N1613-K1617 VanDerWaalsContact O-CG 3.27Å; N1613-K1617 WeakPolarHBondContact O-CG 3.34Å; N1613-K1617 PolarHBondContact O-N 3.1Å; N1613-K1617 VanDerWaalsContact O-N 3.13Å; N1614-K1617 WeakPolarHBondContact O-CB 3.29Å; N1614-K1617 PolarHBondContact O-N 2.98Å; N1614-K1617 PolarHBondContact OD1-NZ 3.19Å; F1615-K1617 VanDerWaalsContact C-N 3.25Å; F1615-K1617 PolarHBondContact O-N 3.24Å; K1617-S1620 PolarHBondContact O-OG 3.2Å |
| 1618 | Y | 66.7 | Low | 65.6 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 9% | 0.09 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -4.4 | 178.4 | -62.6 | -65.9 | 0 | 0 | 0 | 114.2 | N1532 G1534 I1537 I1541 L1583 N1614 F1615 Q1616 W1621 | N1532-Y1618 PolarHBondContact OD1-OH 3.45Å; G1534-Y1618 VanDerWaalsContact C-OH 3.3Å; G1534-Y1618 WeakPolarHBondContact CA-OH 3.43Å; G1534-Y1618 PolarHBondContact O-OH 3.21Å; G1534-Y1618 VanDerWaalsContact O-OH 3.06Å; I1537-Y1618 HydrophobicContact CB-CE1 4.26Å; I1537-Y1618 HydrophobicContact CG2-CE1 4.18Å; I1541-Y1618 HydrophobicContact CD1-CD1 4.36Å; L1583-Y1618 HydrophobicContact CD1-CD1 4.18Å; L1583-Y1618 HydrophobicContact CD1-CE1 4.31Å; L1583-Y1618 HydrophobicContact CD2-CE1 4.31Å; N1614-Y1618 WeakPolarHBondContact O-CD2 3.36Å; N1614-Y1618 WeakPolarHBondContact O-CE2 3.19Å; N1614-Y1618 PolarHBondContact O-N 3.2Å; F1615-Y1618 WeakPolarHBondContact O-CA 3.47Å; F1615-Y1618 WeakPolarHBondContact O-CB 3.27Å; F1615-Y1618 PolarHBondContact O-N 3.09Å; Q1616-Y1618 VanDerWaalsContact C-N 3.27Å; Q1616-Y1618 PolarHBondContact O-N 3.21Å; Y1618-W1621 VanDerWaalsContact O-CD1 3.26Å; Y1618-W1621 PolarHBondContact O-NE1 3.24Å |
| 1619 | L | 68.7 | Low | 67.6 | Low | 25.6 Ų | 25.6 | 46.6 Ų | 46.6 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -25.9 | -179.2 | -84.1 | 106.8 | 0 | 0 | 0 | 112.9 | F1615 Q1616 W1621 I1622 I1654 R1658 | F1615-L1619 HydrophobicContact CD1-CD1 3.54Å; F1615-L1619 HydrophobicContact CD1-CG 4.42Å; F1615-L1619 HydrophobicContact CE1-CD1 3.54Å; F1615-L1619 HydrophobicContact CE1-CD2 4.37Å; F1615-L1619 HydrophobicContact CE1-CG 4.16Å; F1615-L1619 HydrophobicContact CG-CD1 4.43Å; F1615-L1619 HydrophobicContact CZ-CD1 4.41Å; F1615-L1619 VanDerWaalsContact O-CD1 3.29Å; F1615-L1619 WeakPolarHBondContact O-CD1 3.46Å; F1615-L1619 PolarHBondContact O-N 3.08Å; Q1616-L1619 HydrophobicContact CG-CD1 4.43Å; Q1616-L1619 PolarHBondContact O-N 3.23Å; Q1616-L1619 VanDerWaalsContact O-N 3.08Å; L1619-W1621 VanDerWaalsContact C-N 3.3Å; L1619-W1621 PolarHBondContact O-N 3.27Å; L1619-W1621 VanDerWaalsContact O-N 3.11Å; L1619-I1622 HydrophobicContact CD2-CD1 4.35Å; L1619-I1622 WeakPolarHBondContact O-CB 3.36Å; L1619-I1622 PolarHBondContact O-N 3.19Å; L1619-I1622 VanDerWaalsContact O-N 3.14Å; L1619-I1654 HydrophobicContact CD1-CG2 4.48Å; L1619-I1654 HydrophobicContact CD2-CG2 4.11Å; L1619-R1658 HydrophobicContact CD2-CG 4.45Å |
| 1620 | S | 73.4 | Confident | 69.6 | Low | 47.6 Ų | 47.6 | 43 Ų | 43 | 33% | 0.333 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.3 | -171.9 | 42.6 | 0 | 0 | 0 | 0 | 114.8 | N1542 Q1616 K1617 I1622 D1623 | N1542-S1620 VanDerWaalsContact CG-OG 3.25Å; N1542-S1620 PolarHBondContact ND2-OG 3.2Å; N1542-S1620 PolarHBondContact OD1-OG 3.05Å; Q1616-S1620 PolarHBondContact O-N 3.29Å; Q1616-S1620 PolarHBondContact O-OG 2.93Å; K1617-S1620 PolarHBondContact O-OG 3.2Å; S1620-I1622 VanDerWaalsContact C-N 3.3Å; S1620-I1622 PolarHBondContact O-N 3.16Å; S1620-D1623 PolarHBondContact O-N 3.22Å |
| 1621 | W | 80.1 | Confident | 71.5 | Confident | 1.6 Ų | 1.6 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.9 | 179.4 | 67.7 | -85.9 | 0 | 0 | 0 | 113.5 | I1541 S1545 I1580 Y1618 L1619 D1623 E1624 W1626 I1627 I1645 I1649 W1655 | I1541-W1621 HydrophobicContact CG2-CB 3.79Å; I1541-W1621 HydrophobicContact CG2-CD2 3.99Å; I1541-W1621 HydrophobicContact CG2-CG 3.39Å; I1541-W1621 VanDerWaalsContact CG2-CG 3.43Å; S1545-W1621 WeakPolarHBondContact OG-CB 3.24Å; I1580-W1621 HydrophobicContact CD1-CE3 4.36Å; I1580-W1621 HydrophobicContact CD1-CH2 3.21Å; I1580-W1621 HydrophobicContact CD1-CZ2 3.76Å; I1580-W1621 HydrophobicContact CD1-CZ3 3.58Å; I1580-W1621 VanDerWaalsContact CD1-CZ3 3.49Å; I1580-W1621 HydrophobicContact CG1-CH2 3.96Å; I1580-W1621 HydrophobicContact CG1-CZ2 4Å; I1580-W1621 HydrophobicContact CG1-CZ3 4.49Å; Y1618-W1621 VanDerWaalsContact O-CD1 3.26Å; Y1618-W1621 PolarHBondContact O-NE1 3.24Å; L1619-W1621 VanDerWaalsContact C-N 3.3Å; L1619-W1621 PolarHBondContact O-N 3.27Å; L1619-W1621 VanDerWaalsContact O-N 3.11Å; W1621-D1623 VanDerWaalsContact C-N 3.32Å; W1621-D1623 PolarHBondContact O-N 3.19Å; W1621-E1624 WeakPolarHBondContact O-CB 3.41Å; W1621-E1624 PolarHBondContact O-N 3.15Å; W1621-W1626 HydrophobicContact CE3-CZ2 4.16Å; W1621-I1627 HydrophobicContact CE3-CD1 3.96Å; W1621-I1627 HydrophobicContact CZ3-CD1 3.61Å; W1621-I1645 HydrophobicContact CH2-CG2 4.48Å; W1621-I1645 HydrophobicContact CZ3-CG2 4.29Å; W1621-I1649 HydrophobicContact CH2-CD1 3.72Å; W1621-I1649 HydrophobicContact CH2-CG1 3.8Å; W1621-I1649 HydrophobicContact CZ3-CD1 3.96Å; W1621-I1649 HydrophobicContact CZ3-CG1 4.45Å; W1621-W1655 HydrophobicContact CZ2-CD2 4.33Å; W1621-W1655 HydrophobicContact CZ2-CE3 4.46Å |
| 1622 | I | 78.6 | Confident | 73.2 | Confident | 0.6 Ų | 0.6 | 32.6 Ų | 32.6 | 0% | 0.003 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -28.4 | 177.8 | -59.7 | 172.4 | 0 | 0 | 0 | 110.3 | L1619 S1620 E1624 W1655 R1658 L1659 R1662 | L1619-I1622 HydrophobicContact CD2-CD1 4.35Å; L1619-I1622 WeakPolarHBondContact O-CB 3.36Å; L1619-I1622 PolarHBondContact O-N 3.19Å; L1619-I1622 VanDerWaalsContact O-N 3.14Å; S1620-I1622 VanDerWaalsContact C-N 3.3Å; S1620-I1622 PolarHBondContact O-N 3.16Å; I1622-E1624 PolarHBondContact O-N 3.04Å; I1622-W1655 HydrophobicContact CD1-CB 3.62Å; I1622-W1655 VanDerWaalsContact CD1-CD1 3.46Å; I1622-W1655 HydrophobicContact CD1-CD2 4.2Å; I1622-W1655 HydrophobicContact CD1-CG 3.49Å; I1622-W1655 VanDerWaalsContact CD1-CG 3.44Å; I1622-R1658 HydrophobicContact CB-CG 4.47Å; I1622-R1658 HydrophobicContact CG2-CB 4.34Å; I1622-R1658 HydrophobicContact CG2-CG 4.25Å; I1622-L1659 HydrophobicContact CG2-CB 3.97Å; I1622-L1659 HydrophobicContact CG2-CD1 4.48Å; I1622-R1662 PolarHBondContact O-NH1 3.05Å |
| 1623 | D | 74.7 | Confident | 74.9 | Confident | 60.2 Ų | 60.2 | 31.9 Ų | 31.9 | 32% | 0.322 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -72.2 | -11.3 | 177.7 | -63.9 | -25 | 0 | 0 | 0 | 112.3 | S1620 W1621 R1658 R1662 | S1620-D1623 PolarHBondContact O-N 3.22Å; W1621-D1623 VanDerWaalsContact C-N 3.32Å; W1621-D1623 PolarHBondContact O-N 3.19Å; D1623-R1658 VanDerWaalsContact CG-NH2 3.35Å; D1623-R1658 IonicContact OD1-CZ 3.36Å; D1623-R1658 VanDerWaalsContact OD1-CZ 3.32Å; D1623-R1658 IonicContact OD1-NE 3.04Å; D1623-R1658 PolarHBondContact OD1-NE 3.1Å; D1623-R1658 IonicContact OD1-NH2 3.36Å; D1623-R1658 PolarHBondContact OD1-NH2 3.16Å; D1623-R1658 IonicContact OD2-CZ 3.52Å; D1623-R1658 IonicContact OD2-NE 3.24Å; D1623-R1658 PolarHBondContact OD2-NE 3.06Å; D1623-R1658 IonicContact OD2-NH2 3.15Å; D1623-R1658 PolarHBondContact OD2-NH2 3.17Å; D1623-R1662 VanDerWaalsContact C-CZ 3.43Å; D1623-R1662 VanDerWaalsContact CA-CD 3.45Å; D1623-R1662 VanDerWaalsContact O-CD 3.24Å; D1623-R1662 WeakPolarHBondContact O-CD 3.35Å; D1623-R1662 PolarHBondContact O-NE 3.01Å; D1623-R1662 PolarHBondContact O-NH1 3.19Å; D1623-R1662 PolarHBondContact O-NH2 3.39Å |
| 1624 | E | 80.2 | Confident | 76.3 | Confident | 58.6 Ų | 58.6 | 38 Ų | 38 | 27% | 0.274 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -81.9 | 140.3 | 179.2 | -63.3 | -76.3 | 171.3 | 0 | 0 | 112.3 | S1545 S1549 W1621 I1622 W1626 R1662 | S1545-E1624 WeakPolarHBondContact OG-CG 3.28Å; S1549-E1624 VanDerWaalsContact CB-OE2 3.32Å; S1549-E1624 WeakPolarHBondContact CB-OE2 3.37Å; S1549-E1624 PolarHBondContact OG-OE2 3.25Å; W1621-E1624 WeakPolarHBondContact O-CB 3.41Å; W1621-E1624 PolarHBondContact O-N 3.15Å; I1622-E1624 PolarHBondContact O-N 3.04Å; E1624-W1626 VanDerWaalsContact C-N 3.34Å; E1624-W1626 VanDerWaalsContact CB-CD1 3.46Å; E1624-W1626 HydrophobicContact CB-CG 4.47Å; E1624-W1626 PolarHBondContact O-N 3.18Å; E1624-R1662 VanDerWaalsContact C-NH1 3.31Å; E1624-R1662 PolarHBondContact O-NH1 3.19Å |
| 1625 | E | 82.4 | Confident | 77.6 | Confident | 23.4 Ų | 23.4 | 37.7 Ų | 37.7 | 11% | 0.109 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7.8 | -170.4 | -59 | -157 | 148.3 | 0 | 0 | 115.1 | I1627 L1628 Q1629 R1662 I1664 S1665 T1668 | E1625-I1627 PolarHBondContact O-N 3.37Å; E1625-I1627 VanDerWaalsContact O-N 3.11Å; E1625-L1628 PolarHBondContact O-N 3.07Å; E1625-L1628 VanDerWaalsContact O-N 3.15Å; E1625-Q1629 WeakPolarHBondContact O-CG 3.41Å; E1625-Q1629 PolarHBondContact O-N 3.28Å; E1625-Q1629 VanDerWaalsContact O-N 3.12Å; E1625-R1662 VanDerWaalsContact CA-NH2 3.26Å; E1625-R1662 VanDerWaalsContact CB-NH2 3.26Å; E1625-R1662 VanDerWaalsContact CD-NH2 3.27Å; E1625-R1662 IonicContact OE1-CZ 3.34Å; E1625-R1662 IonicContact OE1-NE 3.36Å; E1625-R1662 IonicContact OE1-NH2 2.95Å; E1625-R1662 PolarHBondContact OE1-NH2 3.28Å; E1625-R1662 VanDerWaalsContact OE1-NH2 3.09Å; E1625-I1664 HydrophobicContact CG-CG2 4.41Å; E1625-I1664 WeakPolarHBondContact OE1-CA 3.3Å; E1625-S1665 VanDerWaalsContact OE1-CB 3.23Å; E1625-S1665 WeakPolarHBondContact OE1-CB 3.47Å; E1625-S1665 PolarHBondContact OE1-N 2.9Å; E1625-S1665 PolarHBondContact OE1-OG 2.97Å; E1625-S1665 VanDerWaalsContact OE2-CB 3.29Å; E1625-S1665 WeakPolarHBondContact OE2-CB 3.35Å; E1625-S1665 PolarHBondContact OE2-N 3.05Å; E1625-S1665 PolarHBondContact OE2-OG 3.24Å; E1625-T1668 HydrophobicContact CB-CG2 4.01Å; E1625-T1668 HydrophobicContact CG-CG2 4.3Å; E1625-T1668 WeakPolarHBondContact OE2-CB 3.39Å; E1625-T1668 WeakPolarHBondContact OE2-CG2 3.31Å; E1625-T1668 PolarHBondContact OE2-OG1 3.14Å |
| 1626 | W | 86.6 | Confident | 79 | Confident | 0.2 Ų | 0.2 | 39.4 Ų | 39.4 | 0% | 0.001 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -29.7 | -173.4 | 64.2 | -104.5 | 0 | 0 | 0 | 112.9 | S1545 L1548 I1552 L1573 I1576 W1621 E1624 L1628 Q1629 S1630 I1645 | S1545-W1626 PolarHBondContact OG-NE1 3.13Å; L1548-W1626 HydrophobicContact CB-CB 4.32Å; L1548-W1626 HydrophobicContact CB-CD2 4.03Å; L1548-W1626 HydrophobicContact CB-CE3 4.38Å; L1548-W1626 HydrophobicContact CB-CG 4.02Å; L1548-W1626 HydrophobicContact CD1-CD2 4.18Å; L1548-W1626 HydrophobicContact CD1-CE3 4.04Å; L1548-W1626 HydrophobicContact CD1-CH2 4.09Å; L1548-W1626 HydrophobicContact CD1-CZ2 4.19Å; L1548-W1626 HydrophobicContact CD1-CZ3 4.02Å; I1552-W1626 HydrophobicContact CB-CB 4.34Å; I1552-W1626 HydrophobicContact CD1-CB 3.78Å; I1552-W1626 HydrophobicContact CD1-CE3 4.41Å; L1573-W1626 HydrophobicContact CD2-CE3 3.89Å; L1573-W1626 HydrophobicContact CD2-CH2 4.21Å; L1573-W1626 HydrophobicContact CD2-CZ3 3.32Å; I1576-W1626 HydrophobicContact CD1-CH2 3.69Å; I1576-W1626 HydrophobicContact CD1-CZ2 3.56Å; I1576-W1626 HydrophobicContact CD1-CZ3 4.5Å; I1576-W1626 HydrophobicContact CG2-CH2 4.02Å; I1576-W1626 HydrophobicContact CG2-CZ2 4.42Å; W1621-W1626 HydrophobicContact CE3-CZ2 4.16Å; E1624-W1626 VanDerWaalsContact C-N 3.34Å; E1624-W1626 VanDerWaalsContact CB-CD1 3.46Å; E1624-W1626 HydrophobicContact CB-CG 4.47Å; E1624-W1626 PolarHBondContact O-N 3.18Å; W1626-L1628 PolarHBondContact O-N 3.2Å; W1626-Q1629 PolarHBondContact O-N 3.23Å; W1626-S1630 VanDerWaalsContact O-CB 3.29Å; W1626-S1630 WeakPolarHBondContact O-CB 3.24Å; W1626-S1630 PolarHBondContact O-N 3.21Å; W1626-S1630 PolarHBondContact O-OG 2.85Å; W1626-I1645 HydrophobicContact CH2-CD1 4.17Å; W1626-I1645 HydrophobicContact CZ3-CD1 4.23Å |
| 1627 | I | 86.6 | Confident | 80.3 | Confident | 1.4 Ų | 1.4 | 37 Ų | 37 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178.4 | -60 | 166.6 | 0 | 0 | 0 | 110.3 | W1621 E1625 S1630 L1646 I1649 | W1621-I1627 HydrophobicContact CE3-CD1 3.96Å; W1621-I1627 HydrophobicContact CZ3-CD1 3.61Å; E1625-I1627 PolarHBondContact O-N 3.37Å; E1625-I1627 VanDerWaalsContact O-N 3.11Å; I1627-S1630 WeakPolarHBondContact O-CB 3.34Å; I1627-S1630 PolarHBondContact O-N 3Å; I1627-S1630 PolarHBondContact O-OG 3.2Å; I1627-L1646 HydrophobicContact CG2-CD1 4.39Å; I1627-L1646 HydrophobicContact CG2-CD2 3.71Å; I1627-L1646 HydrophobicContact CG2-CG 3.87Å; I1627-I1649 HydrophobicContact CD1-CD1 4.27Å |
| 1628 | L | 85 | Confident | 81.4 | Confident | 4.4 Ų | 4.4 | 33.5 Ų | 33.5 | 2% | 0.023 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.3 | -40.5 | -179.1 | -61.4 | -179.5 | 0 | 0 | 0 | 111.3 | E1625 W1626 S1630 L1631 R1662 I1664 T1668 L1672 W1679 | E1625-L1628 PolarHBondContact O-N 3.07Å; E1625-L1628 VanDerWaalsContact O-N 3.15Å; W1626-L1628 PolarHBondContact O-N 3.2Å; L1628-S1630 VanDerWaalsContact C-N 3.26Å; L1628-S1630 PolarHBondContact O-N 3.26Å; L1628-L1631 HydrophobicContact CD2-CD1 4.3Å; L1628-L1631 VanDerWaalsContact O-CB 3.3Å; L1628-L1631 WeakPolarHBondContact O-CB 3.39Å; L1628-L1631 PolarHBondContact O-N 3.05Å; L1628-R1662 VanDerWaalsContact CD1-NH2 3.28Å; L1628-I1664 HydrophobicContact CD1-CD1 3.5Å; L1628-I1664 HydrophobicContact CD1-CG1 3.95Å; L1628-I1664 HydrophobicContact CD1-CG2 4.47Å; L1628-T1668 HydrophobicContact CB-CG2 4.07Å; L1628-T1668 HydrophobicContact CD1-CG2 4.46Å; L1628-L1672 HydrophobicContact CB-CD1 4.34Å; L1628-L1672 HydrophobicContact CD1-CD1 4.37Å; L1628-W1679 HydrophobicContact CD1-CD2 4.06Å; L1628-W1679 HydrophobicContact CD1-CE3 4.4Å; L1628-W1679 HydrophobicContact CD1-CG 4.42Å; L1628-W1679 HydrophobicContact CD1-CH2 4.4Å; L1628-W1679 HydrophobicContact CD1-CZ2 4.32Å; L1628-W1679 HydrophobicContact CD2-CD2 4.12Å; L1628-W1679 HydrophobicContact CD2-CE3 4.02Å; L1628-W1679 HydrophobicContact CD2-CH2 3.38Å; L1628-W1679 VanDerWaalsContact CD2-CH2 3.48Å; L1628-W1679 HydrophobicContact CD2-CZ2 3.87Å; L1628-W1679 VanDerWaalsContact CD2-CZ2 3.45Å; L1628-W1679 HydrophobicContact CD2-CZ3 3.46Å; L1628-W1679 VanDerWaalsContact CD2-CZ3 3.43Å |
| 1629 | Q | 84.7 | Confident | 82.5 | Confident | 9.4 Ų | 9.4 | 33.9 Ų | 33.9 | 4% | 0.044 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.9 | -33.5 | 175.3 | -68.2 | 177.2 | -16.8 | 0 | 0 | 112 | I1552 E1625 W1626 L1631 T1632 T1668 L1671 | I1552-Q1629 HydrophobicContact CG2-CB 3.5Å; I1552-Q1629 VanDerWaalsContact CG2-CB 3.45Å; I1552-Q1629 HydrophobicContact CG2-CG 4.39Å; I1552-Q1629 VanDerWaalsContact CG2-OE1 3.22Å; E1625-Q1629 WeakPolarHBondContact O-CG 3.41Å; E1625-Q1629 PolarHBondContact O-N 3.28Å; E1625-Q1629 VanDerWaalsContact O-N 3.12Å; W1626-Q1629 PolarHBondContact O-N 3.23Å; Q1629-L1631 VanDerWaalsContact C-N 3.31Å; Q1629-L1631 PolarHBondContact O-N 3.26Å; Q1629-T1632 PolarHBondContact O-N 3.31Å; Q1629-T1632 PolarHBondContact O-OG1 3.06Å; Q1629-T1668 HydrophobicContact CG-CG2 3.65Å; Q1629-T1668 PolarHBondContact NE2-OG1 3.19Å; Q1629-L1671 HydrophobicContact CG-CD1 4.42Å |
| 1630 | S | 86.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -22.1 | 178.4 | 25.4 | 0 | 0 | 0 | 0 | 113.7 | I1552 W1626 I1627 L1628 T1632 Y1633 R1639 A1642 | I1552-S1630 VanDerWaalsContact CD1-OG 3.23Å; I1552-S1630 WeakPolarHBondContact CD1-OG 3.33Å; W1626-S1630 VanDerWaalsContact O-CB 3.29Å; W1626-S1630 WeakPolarHBondContact O-CB 3.24Å; W1626-S1630 PolarHBondContact O-N 3.21Å; W1626-S1630 PolarHBondContact O-OG 2.85Å; I1627-S1630 WeakPolarHBondContact O-CB 3.34Å; I1627-S1630 PolarHBondContact O-N 3Å; I1627-S1630 PolarHBondContact O-OG 3.2Å; L1628-S1630 VanDerWaalsContact C-N 3.26Å; L1628-S1630 PolarHBondContact O-N 3.26Å; S1630-T1632 VanDerWaalsContact C-N 3.29Å; S1630-T1632 PolarHBondContact O-N 2.91Å; S1630-Y1633 VanDerWaalsContact O-CB 3.26Å; S1630-Y1633 WeakPolarHBondContact O-CB 3.44Å; S1630-Y1633 PolarHBondContact O-N 3.18Å; S1630-Y1633 VanDerWaalsContact O-N 3.17Å; S1630-R1639 WeakPolarHBondContact O-CG 3.38Å; S1630-A1642 WeakPolarHBondContact OG-CB 3.43Å |
| 1631 | L | 85.6 | Confident | 84.3 | Confident | 1.4 Ų | 1.4 | 31 Ų | 31 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -26.9 | 174.6 | -63.5 | 174.3 | 0 | 0 | 0 | 112.8 | L1628 Q1629 Y1633 R1639 A1642 L1643 L1646 W1679 V1688 F1692 | L1628-L1631 HydrophobicContact CD2-CD1 4.3Å; L1628-L1631 VanDerWaalsContact O-CB 3.3Å; L1628-L1631 WeakPolarHBondContact O-CB 3.39Å; L1628-L1631 PolarHBondContact O-N 3.05Å; Q1629-L1631 VanDerWaalsContact C-N 3.31Å; Q1629-L1631 PolarHBondContact O-N 3.26Å; L1631-Y1633 VanDerWaalsContact C-N 3.32Å; L1631-R1639 WeakPolarHBondContact O-CD 3.25Å; L1631-R1639 VanDerWaalsContact O-CG 3.3Å; L1631-R1639 WeakPolarHBondContact O-CG 3.34Å; L1631-A1642 HydrophobicContact CD2-CB 3.99Å; L1631-L1643 HydrophobicContact CD2-CD2 3.71Å; L1631-L1643 HydrophobicContact CD2-CG 3.78Å; L1631-L1646 HydrophobicContact CD1-CD1 3.97Å; L1631-L1646 HydrophobicContact CD2-CD1 3.97Å; L1631-L1646 HydrophobicContact CG-CD1 4.36Å; L1631-W1679 HydrophobicContact CD1-CZ3 4.26Å; L1631-V1688 HydrophobicContact CD1-CG1 3.97Å; L1631-F1692 HydrophobicContact CB-CE2 4.18Å; L1631-F1692 HydrophobicContact CB-CZ 4.15Å; L1631-F1692 HydrophobicContact CD2-CE2 4.07Å; L1631-F1692 HydrophobicContact CD2-CZ 4.42Å; L1631-F1692 HydrophobicContact CG-CE2 4.44Å; L1631-F1692 VanDerWaalsContact O-CZ 3.3Å; L1631-F1692 WeakPolarHBondContact O-CZ 3.41Å |
| 1632 | T | 82.5 | Confident | 84.9 | Confident | 13.8 Ų | 13.8 | 30.9 Ų | 30.9 | 9% | 0.085 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.2 | 179.2 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | R1555 Q1629 S1630 L1671 L1672 H1675 F1677 | R1555-T1632 PolarHBondContact NH2-O 3.29Å; Q1629-T1632 PolarHBondContact O-N 3.31Å; Q1629-T1632 PolarHBondContact O-OG1 3.06Å; S1630-T1632 VanDerWaalsContact C-N 3.29Å; S1630-T1632 PolarHBondContact O-N 2.91Å; T1632-L1671 HydrophobicContact CG2-CD2 3.59Å; T1632-L1671 WeakPolarHBondContact OG1-CD2 3.45Å; T1632-L1672 HydrophobicContact CG2-CD2 3.91Å; T1632-H1675 VanDerWaalsContact CB-CD2 3.48Å; T1632-H1675 WeakPolarHBondContact CB-CD2 3.11Å; T1632-H1675 HydrophobicContact CG2-CB 4.09Å; T1632-F1677 HydrophobicContact CG2-CD2 4.3Å; T1632-F1677 HydrophobicContact CG2-CE2 4.38Å |
| 1633 | Y | 81.8 | Confident | 85.5 | Confident | 23.2 Ų | 23.2 | 30.9 Ų | 30.9 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | trans | -77.3 | 138.7 | -176.2 | -155.8 | -97.9 | 0 | 0 | 0 | 111.7 | R1555 N1560 I1569 S1630 L1631 Q1635 V1638 R1639 | R1555-Y1633 PolarHBondContact NH1-OH 3.13Å; N1560-Y1633 PolarHBondContact O-OH 3.2Å; N1560-Y1633 VanDerWaalsContact O-OH 3.04Å; I1569-Y1633 HydrophobicContact CD1-CE2 4.24Å; I1569-Y1633 WeakPolarHBondContact CD1-OH 3.41Å; S1630-Y1633 VanDerWaalsContact O-CB 3.26Å; S1630-Y1633 WeakPolarHBondContact O-CB 3.44Å; S1630-Y1633 PolarHBondContact O-N 3.18Å; S1630-Y1633 VanDerWaalsContact O-N 3.17Å; L1631-Y1633 VanDerWaalsContact C-N 3.32Å; Y1633-Q1635 VanDerWaalsContact C-N 3.28Å; Y1633-Q1635 HydrophobicContact CD1-CB 3.73Å; Y1633-Q1635 HydrophobicContact CD1-CG 4.37Å; Y1633-Q1635 HydrophobicContact CE1-CB 3.85Å; Y1633-Q1635 HydrophobicContact CE1-CG 4.02Å; Y1633-Q1635 PolarHBondContact O-N 3.16Å; Y1633-Q1635 VanDerWaalsContact O-N 3.08Å; Y1633-V1638 HydrophobicContact CD1-CB 3.71Å; Y1633-V1638 HydrophobicContact CD1-CG1 3.73Å; Y1633-V1638 HydrophobicContact CD1-CG2 3.71Å; Y1633-V1638 HydrophobicContact CD2-CG1 4.19Å; Y1633-V1638 HydrophobicContact CE1-CB 4.3Å; Y1633-V1638 HydrophobicContact CE1-CG1 4.35Å; Y1633-V1638 HydrophobicContact CE1-CG2 3.96Å; Y1633-V1638 HydrophobicContact CG-CB 4.19Å; Y1633-V1638 HydrophobicContact CG-CG1 3.7Å; Y1633-V1638 HydrophobicContact CG-CG2 4.38Å; Y1633-R1639 WeakPolarHBondContact O-CD 3.37Å; Y1633-R1639 VanDerWaalsContact O-CG 3.28Å; Y1633-R1639 WeakPolarHBondContact O-CG 3.39Å; Y1633-R1639 PolarHBondContact O-NE 3.11Å; Y1633-R1639 VanDerWaalsContact O-NE 3.15Å | ||
| 1634 | R | 80.1 | Confident | 86.3 | Confident | 208 Ų | 208 | 28.4 Ų | 28.4 | 79% | 0.785 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -62 | -32.5 | -175.6 | -159.6 | 178.4 | 178.9 | 172.8 | 0.6 | 113.6 | Y1561 | Y1561-R1634 HydrophobicContact CE1-CB 4.43Š|
| 1635 | Q | 83.7 | Confident | 86.8 | Confident | 52 Ų | 52 | 25.6 Ų | 25.6 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -76.8 | 133.3 | -177.4 | -160.2 | 174 | -2.6 | 0 | 0 | 111.7 | S1566 Y1633 E1637 V1638 R1639 | S1566-Q1635 VanDerWaalsContact CB-OE1 3.26Å; S1566-Q1635 PolarHBondContact OG-NE2 2.99Å; Y1633-Q1635 VanDerWaalsContact C-N 3.28Å; Y1633-Q1635 HydrophobicContact CD1-CB 3.73Å; Y1633-Q1635 HydrophobicContact CD1-CG 4.37Å; Y1633-Q1635 HydrophobicContact CE1-CB 3.85Å; Y1633-Q1635 HydrophobicContact CE1-CG 4.02Å; Y1633-Q1635 PolarHBondContact O-N 3.16Å; Y1633-Q1635 VanDerWaalsContact O-N 3.08Å; Q1635-E1637 VanDerWaalsContact C-N 3.32Å; Q1635-E1637 HydrophobicContact CG-CB 4.44Å; Q1635-E1637 WeakPolarHBondContact CG-OE2 3.35Å; Q1635-E1637 PolarHBondContact NE2-OE2 2.92Å; Q1635-E1637 PolarHBondContact O-N 3.19Å; Q1635-V1638 HydrophobicContact CB-CB 4.43Å; Q1635-V1638 HydrophobicContact CB-CG2 4.09Å; Q1635-V1638 HydrophobicContact CG-CG2 4.31Å; Q1635-V1638 PolarHBondContact O-N 3.12Å; Q1635-R1639 PolarHBondContact O-N 3.14Å |
| 1636 | I | 86.6 | Confident | 87.1 | Confident | 71.2 Ų | 71.2 | 24.6 Ų | 24.6 | 37% | 0.365 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.3 | -43.3 | -174.8 | -62.8 | 168.1 | 0 | 0 | 0 | 110.9 | V1638 R1639 A1640 S1699 V1702 | I1636-V1638 VanDerWaalsContact C-N 3.3Å; I1636-V1638 PolarHBondContact O-N 3.07Å; I1636-R1639 PolarHBondContact O-N 3.08Å; I1636-A1640 WeakPolarHBondContact O-CB 3.24Å; I1636-A1640 PolarHBondContact O-N 3.25Å; I1636-S1699 WeakPolarHBondContact CG2-OG 3.3Å; I1636-V1702 HydrophobicContact CG2-CG2 3.8Å |
| 1637 | E | 87.6 | Confident | 87.3 | Confident | 77.8 Ų | 77.8 | 24.6 Ų | 24.6 | 36% | 0.364 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.2 | -39.3 | -177.9 | -60.8 | 81.8 | 173.8 | 0 | 0 | 111.9 | V1570 Q1635 A1640 L1641 W1701 | V1570-E1637 HydrophobicContact CG1-CB 4.25Å; V1570-E1637 HydrophobicContact CG2-CB 3.99Å; Q1635-E1637 VanDerWaalsContact C-N 3.32Å; Q1635-E1637 HydrophobicContact CG-CB 4.44Å; Q1635-E1637 WeakPolarHBondContact CG-OE2 3.35Å; Q1635-E1637 PolarHBondContact NE2-OE2 2.92Å; Q1635-E1637 PolarHBondContact O-N 3.19Å; E1637-A1640 PolarHBondContact O-N 2.98Å; E1637-L1641 WeakPolarHBondContact O-CB 3.22Å; E1637-L1641 VanDerWaalsContact O-CG 3.3Å; E1637-L1641 WeakPolarHBondContact O-CG 3.42Å; E1637-L1641 PolarHBondContact O-N 3.13Å; E1637-W1701 HydrophobicContact CB-CH2 4.47Å; E1637-W1701 HydrophobicContact CB-CZ3 3.99Å; E1637-W1701 HydrophobicContact CG-CE3 4.45Å; E1637-W1701 HydrophobicContact CG-CH2 4.37Å; E1637-W1701 HydrophobicContact CG-CZ3 3.83Å |
| 1638 | V | 87.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | I1569 V1570 L1573 Y1633 Q1635 I1636 L1641 A1642 | I1569-V1638 HydrophobicContact CG2-CG1 4.26Å; I1569-V1638 HydrophobicContact CG2-CG2 3.9Å; V1570-V1638 HydrophobicContact CG2-CG2 3.78Å; L1573-V1638 HydrophobicContact CD1-CB 4.19Å; L1573-V1638 HydrophobicContact CD1-CG1 3.69Å; L1573-V1638 HydrophobicContact CD1-CG2 4.3Å; Y1633-V1638 HydrophobicContact CD1-CB 3.71Å; Y1633-V1638 HydrophobicContact CD1-CG1 3.73Å; Y1633-V1638 HydrophobicContact CD1-CG2 3.71Å; Y1633-V1638 HydrophobicContact CD2-CG1 4.19Å; Y1633-V1638 HydrophobicContact CE1-CB 4.3Å; Y1633-V1638 HydrophobicContact CE1-CG1 4.35Å; Y1633-V1638 HydrophobicContact CE1-CG2 3.96Å; Y1633-V1638 HydrophobicContact CG-CB 4.19Å; Y1633-V1638 HydrophobicContact CG-CG1 3.7Å; Y1633-V1638 HydrophobicContact CG-CG2 4.38Å; Q1635-V1638 HydrophobicContact CB-CB 4.43Å; Q1635-V1638 HydrophobicContact CB-CG2 4.09Å; Q1635-V1638 HydrophobicContact CG-CG2 4.31Å; Q1635-V1638 PolarHBondContact O-N 3.12Å; I1636-V1638 VanDerWaalsContact C-N 3.3Å; I1636-V1638 PolarHBondContact O-N 3.07Å; V1638-L1641 PolarHBondContact O-N 3.35Å; V1638-A1642 WeakPolarHBondContact O-CB 3.33Å; V1638-A1642 PolarHBondContact O-N 3.15Å |
| 1639 | R | 90.3 | Very high | 87.3 | Confident | 31.8 Ų | 31.8 | 26.9 Ų | 26.9 | 12% | 0.12 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -41.2 | 178.8 | -67 | -172 | -68.4 | 143.4 | 4.1 | 112.3 | S1630 L1631 Y1633 Q1635 I1636 A1642 L1643 E1698 V1702 | S1630-R1639 WeakPolarHBondContact O-CG 3.38Å; L1631-R1639 WeakPolarHBondContact O-CD 3.25Å; L1631-R1639 VanDerWaalsContact O-CG 3.3Å; L1631-R1639 WeakPolarHBondContact O-CG 3.34Å; Y1633-R1639 WeakPolarHBondContact O-CD 3.37Å; Y1633-R1639 VanDerWaalsContact O-CG 3.28Å; Y1633-R1639 WeakPolarHBondContact O-CG 3.39Å; Y1633-R1639 PolarHBondContact O-NE 3.11Å; Y1633-R1639 VanDerWaalsContact O-NE 3.15Å; Q1635-R1639 PolarHBondContact O-N 3.14Å; I1636-R1639 PolarHBondContact O-N 3.08Å; R1639-A1642 WeakPolarHBondContact O-CB 3.13Å; R1639-A1642 PolarHBondContact O-N 3.34Å; R1639-L1643 WeakPolarHBondContact O-CG 3.36Å; R1639-L1643 PolarHBondContact O-N 3.22Å; R1639-E1698 IonicContact CZ-OE1 3.18Å; R1639-E1698 VanDerWaalsContact CZ-OE1 3.28Å; R1639-E1698 IonicContact CZ-OE2 3.33Å; R1639-E1698 VanDerWaalsContact NH1-CD 3.29Å; R1639-E1698 IonicContact NH1-OE1 3.34Å; R1639-E1698 PolarHBondContact NH1-OE1 3.16Å; R1639-E1698 IonicContact NH1-OE2 3.23Å; R1639-E1698 PolarHBondContact NH1-OE2 3.23Å; R1639-E1698 VanDerWaalsContact NH2-CD 3.28Å; R1639-E1698 IonicContact NH2-OE1 2.84Å; R1639-E1698 PolarHBondContact NH2-OE1 3.14Å; R1639-E1698 IonicContact NH2-OE2 3.14Å; R1639-E1698 PolarHBondContact NH2-OE2 3.11Å; R1639-V1702 HydrophobicContact CB-CG2 4.26Å |
| 1640 | A | 89.6 | Confident | 87.2 | Confident | 0.2 Ų | 0.2 | 26.5 Ų | 26.5 | 0% | 0.002 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1636 E1637 L1643 S1644 W1701 V1702 M1705 | I1636-A1640 WeakPolarHBondContact O-CB 3.24Å; I1636-A1640 PolarHBondContact O-N 3.25Å; E1637-A1640 PolarHBondContact O-N 2.98Å; A1640-L1643 PolarHBondContact O-N 3.09Å; A1640-S1644 WeakPolarHBondContact O-CB 3.33Å; A1640-S1644 PolarHBondContact O-N 3.31Å; A1640-W1701 HydrophobicContact CB-CD2 3.63Å; A1640-W1701 HydrophobicContact CB-CE3 3.73Å; A1640-W1701 HydrophobicContact CB-CG 4.11Å; A1640-W1701 HydrophobicContact CB-CH2 4.22Å; A1640-W1701 HydrophobicContact CB-CZ2 4.22Å; A1640-W1701 HydrophobicContact CB-CZ3 3.96Å; A1640-V1702 HydrophobicContact CB-CG2 4Å; A1640-M1705 HydrophobicContact CB-CG 4.35Å; A1640-M1705 WeakPolarHBondContact O-CG 3.34Å |
| 1641 | L | 90.4 | Very high | 86.9 | Confident | 11.6 Ų | 11.6 | 29.5 Ų | 29.5 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 176.5 | -72.7 | 169.9 | 0 | 0 | 0 | 112.3 | V1570 L1573 T1574 N1577 E1637 V1638 S1644 I1645 W1701 | V1570-L1641 HydrophobicContact CG1-CD1 4.02Å; V1570-L1641 WeakPolarHBondContact O-CD1 3.26Å; L1573-L1641 HydrophobicContact CB-CB 3.96Å; L1573-L1641 HydrophobicContact CB-CD1 3.81Å; L1573-L1641 HydrophobicContact CB-CG 4.49Å; L1573-L1641 HydrophobicContact CD1-CB 4.43Å; T1574-L1641 WeakPolarHBondContact OG1-CD1 3.35Å; N1577-L1641 HydrophobicContact CB-CD2 4.45Å; E1637-L1641 WeakPolarHBondContact O-CB 3.22Å; E1637-L1641 VanDerWaalsContact O-CG 3.3Å; E1637-L1641 WeakPolarHBondContact O-CG 3.42Å; E1637-L1641 PolarHBondContact O-N 3.13Å; V1638-L1641 PolarHBondContact O-N 3.35Å; L1641-S1644 VanDerWaalsContact O-CB 3.26Å; L1641-S1644 WeakPolarHBondContact O-CB 3.3Å; L1641-S1644 PolarHBondContact O-N 2.98Å; L1641-I1645 VanDerWaalsContact O-CG1 3.3Å; L1641-I1645 WeakPolarHBondContact O-CG1 3.29Å; L1641-I1645 PolarHBondContact O-N 3.29Å; L1641-W1701 HydrophobicContact CG-CH2 4.42Å |
| 1642 | A | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1630 L1631 V1638 R1639 S1644 I1645 L1646 | S1630-A1642 WeakPolarHBondContact OG-CB 3.43Å; L1631-A1642 HydrophobicContact CD2-CB 3.99Å; V1638-A1642 WeakPolarHBondContact O-CB 3.33Å; V1638-A1642 PolarHBondContact O-N 3.15Å; R1639-A1642 WeakPolarHBondContact O-CB 3.13Å; R1639-A1642 PolarHBondContact O-N 3.34Å; A1642-S1644 VanDerWaalsContact C-N 3.32Å; A1642-S1644 PolarHBondContact O-N 3Å; A1642-I1645 WeakPolarHBondContact O-CB 3.47Å; A1642-I1645 PolarHBondContact O-N 3.2Å; A1642-L1646 WeakPolarHBondContact O-CG 3.34Å; A1642-L1646 PolarHBondContact O-N 3.15Å |
| 1643 | L | 91.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -37.3 | 174.3 | -72.6 | 167.6 | 0 | 0 | 0 | 112.1 | L1631 R1639 A1640 I1645 L1646 S1647 F1692 V1702 M1705 A1706 L1709 | L1631-L1643 HydrophobicContact CD2-CD2 3.71Å; L1631-L1643 HydrophobicContact CD2-CG 3.78Å; R1639-L1643 WeakPolarHBondContact O-CG 3.36Å; R1639-L1643 PolarHBondContact O-N 3.22Å; A1640-L1643 PolarHBondContact O-N 3.09Å; L1643-I1645 VanDerWaalsContact C-N 3.32Å; L1643-I1645 PolarHBondContact O-N 3.15Å; L1643-L1646 HydrophobicContact CD2-CD1 4.47Å; L1643-L1646 PolarHBondContact O-N 3.1Å; L1643-S1647 WeakPolarHBondContact O-CB 3.35Å; L1643-S1647 PolarHBondContact O-N 3.06Å; L1643-F1692 HydrophobicContact CD1-CB 4.24Å; L1643-F1692 HydrophobicContact CD1-CD1 4.4Å; L1643-F1692 HydrophobicContact CD1-CD2 4.09Å; L1643-F1692 HydrophobicContact CD1-CG 4Å; L1643-F1692 HydrophobicContact CD2-CD2 3.93Å; L1643-F1692 HydrophobicContact CD2-CE2 4.35Å; L1643-F1692 HydrophobicContact CG-CD2 4.47Å; L1643-V1702 HydrophobicContact CD1-CG1 3.63Å; L1643-V1702 WeakPolarHBondContact CD1-O 3.47Å; L1643-M1705 HydrophobicContact CB-CB 3.65Å; L1643-M1705 HydrophobicContact CD1-CB 4.46Å; L1643-A1706 HydrophobicContact CD1-CB 4.17Å; L1643-L1709 HydrophobicContact CD2-CD2 4.23Å |
| 1644 | S | 91.5 | Very high | 85.9 | Confident | 8.2 Ų | 8.2 | 30.4 Ų | 30.4 | 6% | 0.057 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 174 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | N1577 A1640 L1641 A1642 L1646 S1647 R1648 M1705 | N1577-S1644 VanDerWaalsContact CG-OG 3.29Å; N1577-S1644 PolarHBondContact ND2-OG 3.31Å; N1577-S1644 WeakPolarHBondContact OD1-CB 3.26Å; N1577-S1644 PolarHBondContact OD1-O 3.12Å; N1577-S1644 PolarHBondContact OD1-OG 3.14Å; A1640-S1644 WeakPolarHBondContact O-CB 3.33Å; A1640-S1644 PolarHBondContact O-N 3.31Å; L1641-S1644 VanDerWaalsContact O-CB 3.26Å; L1641-S1644 WeakPolarHBondContact O-CB 3.3Å; L1641-S1644 PolarHBondContact O-N 2.98Å; A1642-S1644 VanDerWaalsContact C-N 3.32Å; A1642-S1644 PolarHBondContact O-N 3Å; S1644-L1646 PolarHBondContact O-N 3.23Å; S1644-S1647 WeakPolarHBondContact O-CB 3.31Å; S1644-S1647 PolarHBondContact O-N 3.11Å; S1644-S1647 PolarHBondContact O-OG 3.28Å; S1644-R1648 WeakPolarHBondContact O-CG 3.38Å; S1644-R1648 PolarHBondContact O-N 3.03Å; S1644-R1648 VanDerWaalsContact O-N 3.14Å; S1644-R1648 PolarHBondContact O-NH1 3.34Å; S1644-R1648 PolarHBondContact OG-NH1 3.21Å; S1644-M1705 VanDerWaalsContact CB-SD 3.6Å; S1644-M1705 PolarHBondContact OG-SD 3.14Å |
| 1645 | I | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 175.6 | -70.5 | 163.1 | 0 | 0 | 0 | 110.4 | L1573 I1576 N1577 I1580 W1621 W1626 L1641 A1642 L1643 S1647 R1648 I1649 | L1573-I1645 HydrophobicContact CD2-CD1 3.94Å; I1576-I1645 HydrophobicContact CB-CD1 4.39Å; I1576-I1645 HydrophobicContact CG2-CD1 3.96Å; I1576-I1645 HydrophobicContact CG2-CG1 4.42Å; N1577-I1645 HydrophobicContact CB-CD1 4.28Å; N1577-I1645 HydrophobicContact CB-CG1 3.82Å; I1580-I1645 HydrophobicContact CD1-CG1 4.42Å; I1580-I1645 HydrophobicContact CD1-CG2 3.64Å; W1621-I1645 HydrophobicContact CH2-CG2 4.48Å; W1621-I1645 HydrophobicContact CZ3-CG2 4.29Å; W1626-I1645 HydrophobicContact CH2-CD1 4.17Å; W1626-I1645 HydrophobicContact CZ3-CD1 4.23Å; L1641-I1645 VanDerWaalsContact O-CG1 3.3Å; L1641-I1645 WeakPolarHBondContact O-CG1 3.29Å; L1641-I1645 PolarHBondContact O-N 3.29Å; A1642-I1645 WeakPolarHBondContact O-CB 3.47Å; A1642-I1645 PolarHBondContact O-N 3.2Å; L1643-I1645 VanDerWaalsContact C-N 3.32Å; L1643-I1645 PolarHBondContact O-N 3.15Å; I1645-S1647 VanDerWaalsContact C-N 3.32Å; I1645-S1647 PolarHBondContact O-N 3.19Å; I1645-R1648 PolarHBondContact O-N 3.15Å; I1645-R1648 VanDerWaalsContact O-N 3.11Å; I1645-I1649 HydrophobicContact CG2-CD1 3.93Å; I1645-I1649 HydrophobicContact CG2-CG1 4.44Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.33Å; I1645-I1649 PolarHBondContact O-N 3.24Å |
| 1646 | L | 89.9 | Confident | 85.9 | Confident | 1.4 Ų | 1.4 | 18.3 Ų | 18.3 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.3 | -43.1 | 176.3 | -73.5 | 171.3 | 0 | 0 | 0 | 112.1 | I1627 L1631 A1642 L1643 S1644 R1648 I1649 C1650 L1659 L1709 | I1627-L1646 HydrophobicContact CG2-CD1 4.39Å; I1627-L1646 HydrophobicContact CG2-CD2 3.71Å; I1627-L1646 HydrophobicContact CG2-CG 3.87Å; L1631-L1646 HydrophobicContact CD1-CD1 3.97Å; L1631-L1646 HydrophobicContact CD2-CD1 3.97Å; L1631-L1646 HydrophobicContact CG-CD1 4.36Å; A1642-L1646 WeakPolarHBondContact O-CG 3.34Å; A1642-L1646 PolarHBondContact O-N 3.15Å; L1643-L1646 HydrophobicContact CD2-CD1 4.47Å; L1643-L1646 PolarHBondContact O-N 3.1Å; S1644-L1646 PolarHBondContact O-N 3.23Å; L1646-R1648 VanDerWaalsContact C-N 3.27Å; L1646-R1648 PolarHBondContact O-N 3.17Å; L1646-I1649 HydrophobicContact CD2-CD1 4.4Å; L1646-I1649 WeakPolarHBondContact O-CB 3.44Å; L1646-I1649 PolarHBondContact O-N 3.27Å; L1646-I1649 VanDerWaalsContact O-N 3.13Å; L1646-C1650 PolarHBondContact O-N 3.22Å; L1646-C1650 VanDerWaalsContact O-N 3.14Å; L1646-C1650 PolarHBondContact O-SG 3.07Å; L1646-C1650 VanDerWaalsContact O-SG 3.38Å; L1646-L1659 HydrophobicContact CD2-CD1 3.62Å; L1646-L1659 HydrophobicContact CD2-CD2 4.37Å; L1646-L1709 HydrophobicContact CB-CD1 4.24Å; L1646-L1709 HydrophobicContact CB-CD2 4.31Å |
| 1647 | S | 89.8 | Confident | 85.3 | Confident | 1.6 Ų | 1.6 | 17.2 Ų | 17.2 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -38 | 177.5 | 93.4 | 0 | 0 | 0 | 0 | 111.6 | L1643 S1644 I1645 C1650 Q1708 L1709 N1712 | L1643-S1647 WeakPolarHBondContact O-CB 3.35Å; L1643-S1647 PolarHBondContact O-N 3.06Å; S1644-S1647 WeakPolarHBondContact O-CB 3.31Å; S1644-S1647 PolarHBondContact O-N 3.11Å; S1644-S1647 PolarHBondContact O-OG 3.28Å; I1645-S1647 VanDerWaalsContact C-N 3.32Å; I1645-S1647 PolarHBondContact O-N 3.19Å; S1647-C1650 WeakPolarHBondContact O-CB 3.44Å; S1647-C1650 PolarHBondContact O-N 3.22Å; S1647-Q1708 VanDerWaalsContact OG-C 3.27Å; S1647-Q1708 PolarHBondContact OG-O 3.29Å; S1647-L1709 PolarHBondContact OG-N 2.81Å; S1647-N1712 PolarHBondContact O-ND2 3.19Å; S1647-N1712 PolarHBondContact OG-ND2 3.2Å |
| 1648 | R | 86.5 | Confident | 84.8 | Confident | 52.8 Ų | 52.8 | 18.2 Ų | 18.2 | 20% | 0.199 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -75 | -33.3 | 177.6 | -64.5 | -98.3 | 175.2 | 121.4 | -3.4 | 112.8 | N1577 I1580 H1581 S1644 I1645 L1646 C1650 L1651 | N1577-R1648 PolarHBondContact ND2-NH1 3.42Å; N1577-R1648 PolarHBondContact ND2-NH2 3.38Å; N1577-R1648 PolarHBondContact O-NE 2.83Å; N1577-R1648 PolarHBondContact OD1-NH1 2.95Å; I1580-R1648 HydrophobicContact CG2-CB 3.7Å; I1580-R1648 HydrophobicContact CG2-CG 4.5Å; H1581-R1648 VanDerWaalsContact CB-NE 3.33Å; H1581-R1648 PolarHBondContact CD2-NH1 3.35Å; H1581-R1648 VanDerWaalsContact CD2-NH1 3.31Å; H1581-R1648 PolarHBondContact CD2-NH2 2.95Å; H1581-R1648 PolarHBondContact ND1-NE 3.08Å; H1581-R1648 PolarHBondContact NE2-NH1 3.48Å; S1644-R1648 WeakPolarHBondContact O-CG 3.38Å; S1644-R1648 PolarHBondContact O-N 3.03Å; S1644-R1648 VanDerWaalsContact O-N 3.14Å; S1644-R1648 PolarHBondContact O-NH1 3.34Å; S1644-R1648 PolarHBondContact OG-NH1 3.21Å; I1645-R1648 PolarHBondContact O-N 3.15Å; I1645-R1648 VanDerWaalsContact O-N 3.11Å; L1646-R1648 VanDerWaalsContact C-N 3.27Å; L1646-R1648 PolarHBondContact O-N 3.17Å; R1648-C1650 VanDerWaalsContact C-N 3.25Å; R1648-C1650 PolarHBondContact O-N 3.18Å; R1648-L1651 WeakPolarHBondContact O-CB 3.42Å; R1648-L1651 PolarHBondContact O-N 3.24Å; R1648-L1651 VanDerWaalsContact O-N 3.09Å |
| 1649 | I | 85.9 | Confident | 84.5 | Confident | 0.8 Ų | 0.8 | 18.6 Ų | 18.6 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -38.8 | 173.3 | -71.6 | 167.2 | 0 | 0 | 0 | 110.7 | W1621 I1627 I1645 L1646 L1651 V1652 W1655 L1659 | W1621-I1649 HydrophobicContact CH2-CD1 3.72Å; W1621-I1649 HydrophobicContact CH2-CG1 3.8Å; W1621-I1649 HydrophobicContact CZ3-CD1 3.96Å; W1621-I1649 HydrophobicContact CZ3-CG1 4.45Å; I1627-I1649 HydrophobicContact CD1-CD1 4.27Å; I1645-I1649 HydrophobicContact CG2-CD1 3.93Å; I1645-I1649 HydrophobicContact CG2-CG1 4.44Å; I1645-I1649 WeakPolarHBondContact O-CG1 3.33Å; I1645-I1649 PolarHBondContact O-N 3.24Å; L1646-I1649 HydrophobicContact CD2-CD1 4.4Å; L1646-I1649 WeakPolarHBondContact O-CB 3.44Å; L1646-I1649 PolarHBondContact O-N 3.27Å; L1646-I1649 VanDerWaalsContact O-N 3.13Å; I1649-L1651 PolarHBondContact O-N 2.91Å; I1649-L1651 VanDerWaalsContact O-N 3.15Å; I1649-V1652 PolarHBondContact O-N 3.28Å; I1649-V1652 VanDerWaalsContact O-N 3.09Å; I1649-V1652 VanDerWaalsContact O-O 3.12Å; I1649-W1655 HydrophobicContact CG2-CB 3.85Å; I1649-L1659 HydrophobicContact CD1-CD1 3.95Å; I1649-L1659 HydrophobicContact CG2-CB 4.43Å; I1649-L1659 HydrophobicContact CG2-CD1 4.33Å |
| 1650 | C | 83 | Confident | 83.9 | Confident | 1.4 Ų | 1.4 | 17.7 Ų | 17.7 | 1% | 0.009 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.9 | 178.2 | -63.9 | 0 | 0 | 0 | 0 | 114.4 | L1646 S1647 R1648 V1652 I1685 L1709 N1712 L1713 | L1646-C1650 PolarHBondContact O-N 3.22Å; L1646-C1650 VanDerWaalsContact O-N 3.14Å; L1646-C1650 PolarHBondContact O-SG 3.07Å; L1646-C1650 VanDerWaalsContact O-SG 3.38Å; S1647-C1650 WeakPolarHBondContact O-CB 3.44Å; S1647-C1650 PolarHBondContact O-N 3.22Å; R1648-C1650 VanDerWaalsContact C-N 3.25Å; R1648-C1650 PolarHBondContact O-N 3.18Å; C1650-V1652 VanDerWaalsContact C-N 3.28Å; C1650-V1652 PolarHBondContact O-N 3Å; C1650-I1685 VanDerWaalsContact SG-CD1 3.59Å; C1650-L1709 HydrophobicContact CB-CD1 4.4Å; C1650-L1709 WeakPolarHBondContact SG-CD1 3.3Å; C1650-N1712 HydrophobicContact CB-CB 4.01Å; C1650-L1713 HydrophobicContact CB-CD2 4.36Å; C1650-L1713 VanDerWaalsContact SG-CD2 3.59Å |
| 1651 | L | 80 | Confident | 83 | Confident | 62.2 Ų | 62.2 | 20.1 Ų | 20.1 | 33% | 0.326 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15 | 177.5 | -62.1 | 174.8 | 0 | 0 | 0 | 113 | R1648 I1649 N1712 | R1648-L1651 WeakPolarHBondContact O-CB 3.42Å; R1648-L1651 PolarHBondContact O-N 3.24Å; R1648-L1651 VanDerWaalsContact O-N 3.09Å; I1649-L1651 PolarHBondContact O-N 2.91Å; I1649-L1651 VanDerWaalsContact O-N 3.15Å; L1651-N1712 HydrophobicContact CD2-CB 4.08Å; L1651-N1712 HydrophobicContact CG-CB 4.44Å |
| 1652 | V | 79.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -117.2 | 105.7 | -179.6 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | I1589 I1649 C1650 I1654 W1655 L1656 | I1589-V1652 HydrophobicContact CG2-CB 4.47Å; I1589-V1652 HydrophobicContact CG2-CG1 3.76Å; I1589-V1652 HydrophobicContact CG2-CG2 3.92Å; I1649-V1652 PolarHBondContact O-N 3.28Å; I1649-V1652 VanDerWaalsContact O-N 3.09Å; I1649-V1652 VanDerWaalsContact O-O 3.12Å; C1650-V1652 VanDerWaalsContact C-N 3.28Å; C1650-V1652 PolarHBondContact O-N 3Å; V1652-I1654 VanDerWaalsContact C-N 3.29Å; V1652-I1654 PolarHBondContact O-N 3.33Å; V1652-I1654 VanDerWaalsContact O-N 3.14Å; V1652-W1655 HydrophobicContact CB-CB 4.16Å; V1652-W1655 HydrophobicContact CB-CD2 3.68Å; V1652-W1655 HydrophobicContact CB-CE3 3.57Å; V1652-W1655 VanDerWaalsContact CB-CE3 3.47Å; V1652-W1655 HydrophobicContact CB-CG 3.94Å; V1652-W1655 HydrophobicContact CB-CZ3 4.21Å; V1652-W1655 HydrophobicContact CG1-CB 4.28Å; V1652-W1655 HydrophobicContact CG1-CD2 3.7Å; V1652-W1655 HydrophobicContact CG1-CE3 4.1Å; V1652-W1655 HydrophobicContact CG1-CG 3.75Å; V1652-W1655 HydrophobicContact CG2-CD2 4.06Å; V1652-W1655 HydrophobicContact CG2-CE3 3.57Å; V1652-W1655 HydrophobicContact CG2-CH2 4.26Å; V1652-W1655 HydrophobicContact CG2-CZ3 3.67Å; V1652-W1655 WeakPolarHBondContact O-CB 3.21Å; V1652-W1655 PolarHBondContact O-N 3.04Å; V1652-W1655 VanDerWaalsContact O-N 3.09Å; V1652-L1656 PolarHBondContact O-N 3.2Å; V1652-L1656 VanDerWaalsContact O-N 3.12Å |
| 1653 | P | 74.6 | Confident | 81.3 | Confident | 40.8 Ų | 40.8 | 28.3 Ų | 28.3 | 27% | 0.265 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -54 | -40.7 | -172.3 | -29.6 | 35.8 | 0 | 0 | 0 | 114.5 | L1594 W1655 L1656 Q1657 I1769 | L1594-P1653 HydrophobicContact CD1-CB 4.41Å; P1653-W1655 VanDerWaalsContact C-N 3.34Å; P1653-W1655 PolarHBondContact O-N 3.04Å; P1653-L1656 PolarHBondContact O-N 3.2Å; P1653-Q1657 WeakPolarHBondContact O-CB 3.25Å; P1653-Q1657 PolarHBondContact O-N 3.08Å; P1653-I1769 HydrophobicContact CB-CD1 3.61Å; P1653-I1769 HydrophobicContact CB-CG1 4.07Å; P1653-I1769 HydrophobicContact CB-CG2 3.87Å; P1653-I1769 HydrophobicContact CG-CD1 3.53Å; P1653-I1769 VanDerWaalsContact CG-CD1 3.41Å; P1653-I1769 HydrophobicContact CG-CG1 4.37Å; P1653-I1769 HydrophobicContact CG-CG2 4.13Å |
| 1654 | I | 74.8 | Confident | 80.6 | Confident | 14.8 Ų | 14.8 | 29.1 Ų | 29.1 | 8% | 0.076 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 179.3 | -63.3 | 162.7 | 0 | 0 | 0 | 111.3 | L1592 L1594 V1597 F1615 L1619 V1652 Q1657 R1658 | L1592-I1654 HydrophobicContact CB-CD1 3.51Å; L1592-I1654 VanDerWaalsContact CB-CD1 3.46Å; L1592-I1654 VanDerWaalsContact O-CD1 3.27Å; L1592-I1654 WeakPolarHBondContact O-CD1 3.27Å; L1594-I1654 HydrophobicContact CD1-CB 4.38Å; L1594-I1654 HydrophobicContact CD1-CG1 3.91Å; L1594-I1654 HydrophobicContact CD1-CG2 4.38Å; L1594-I1654 HydrophobicContact CD2-CB 4.38Å; L1594-I1654 HydrophobicContact CD2-CG1 4.11Å; L1594-I1654 HydrophobicContact CG-CG1 4.02Å; V1597-I1654 HydrophobicContact CG2-CD1 3.98Å; V1597-I1654 HydrophobicContact CG2-CG1 4.43Å; F1615-I1654 HydrophobicContact CE1-CD1 4.13Å; F1615-I1654 HydrophobicContact CE1-CG2 4.09Å; F1615-I1654 HydrophobicContact CZ-CB 4.5Å; F1615-I1654 HydrophobicContact CZ-CD1 4.03Å; F1615-I1654 HydrophobicContact CZ-CG2 4.36Å; L1619-I1654 HydrophobicContact CD1-CG2 4.48Å; L1619-I1654 HydrophobicContact CD2-CG2 4.11Å; V1652-I1654 VanDerWaalsContact C-N 3.29Å; V1652-I1654 PolarHBondContact O-N 3.33Å; V1652-I1654 VanDerWaalsContact O-N 3.14Å; I1654-Q1657 PolarHBondContact O-N 3.28Å; I1654-R1658 WeakPolarHBondContact O-CB 3.44Å; I1654-R1658 PolarHBondContact O-N 3.08Å |
| 1655 | W | 81.8 | Confident | 80.1 | Confident | 4.8 Ų | 4.8 | 30.7 Ų | 30.7 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.4 | -42.2 | 180 | -65.6 | -10.4 | 0 | 0 | 0 | 111.3 | I1580 L1583 I1589 F1615 W1621 I1622 I1649 V1652 P1653 R1658 L1659 | I1580-W1655 HydrophobicContact CG2-CH2 4.5Å; I1580-W1655 HydrophobicContact CG2-CZ3 3.89Å; L1583-W1655 HydrophobicContact CB-CH2 3.94Å; I1589-W1655 HydrophobicContact CD1-CZ2 4.39Å; I1589-W1655 HydrophobicContact CG2-CH2 4.23Å; I1589-W1655 HydrophobicContact CG2-CZ2 4.17Å; F1615-W1655 AromaticContact CZ-NE1 3.84Å; W1621-W1655 HydrophobicContact CZ2-CD2 4.33Å; W1621-W1655 HydrophobicContact CZ2-CE3 4.46Å; I1622-W1655 HydrophobicContact CD1-CB 3.62Å; I1622-W1655 VanDerWaalsContact CD1-CD1 3.46Å; I1622-W1655 HydrophobicContact CD1-CD2 4.2Å; I1622-W1655 HydrophobicContact CD1-CG 3.49Å; I1622-W1655 VanDerWaalsContact CD1-CG 3.44Å; I1649-W1655 HydrophobicContact CG2-CB 3.85Å; V1652-W1655 HydrophobicContact CB-CB 4.16Å; V1652-W1655 HydrophobicContact CB-CD2 3.68Å; V1652-W1655 HydrophobicContact CB-CE3 3.57Å; V1652-W1655 VanDerWaalsContact CB-CE3 3.47Å; V1652-W1655 HydrophobicContact CB-CG 3.94Å; V1652-W1655 HydrophobicContact CB-CZ3 4.21Å; V1652-W1655 HydrophobicContact CG1-CB 4.28Å; V1652-W1655 HydrophobicContact CG1-CD2 3.7Å; V1652-W1655 HydrophobicContact CG1-CE3 4.1Å; V1652-W1655 HydrophobicContact CG1-CG 3.75Å; V1652-W1655 HydrophobicContact CG2-CD2 4.06Å; V1652-W1655 HydrophobicContact CG2-CE3 3.57Å; V1652-W1655 HydrophobicContact CG2-CH2 4.26Å; V1652-W1655 HydrophobicContact CG2-CZ3 3.67Å; V1652-W1655 WeakPolarHBondContact O-CB 3.21Å; V1652-W1655 PolarHBondContact O-N 3.04Å; V1652-W1655 VanDerWaalsContact O-N 3.09Å; P1653-W1655 VanDerWaalsContact C-N 3.34Å; P1653-W1655 PolarHBondContact O-N 3.04Å; W1655-R1658 PolarHBondContact O-N 3.17Å; W1655-L1659 WeakPolarHBondContact O-CB 3.39Å; W1655-L1659 PolarHBondContact O-N 3.09Å |
| 1656 | L | 80.6 | Confident | 79.4 | Confident | 2.2 Ų | 2.2 | 35.6 Ų | 35.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.5 | -178.8 | 61.3 | 0 | 0 | 0 | 111.1 | V1652 P1653 R1658 L1659 L1660 I1685 L1713 L1716 T1843 | V1652-L1656 PolarHBondContact O-N 3.2Å; V1652-L1656 VanDerWaalsContact O-N 3.12Å; P1653-L1656 PolarHBondContact O-N 3.2Å; L1656-R1658 VanDerWaalsContact C-N 3.32Å; L1656-R1658 PolarHBondContact O-N 3.23Å; L1656-L1659 PolarHBondContact O-N 3.27Å; L1656-L1660 HydrophobicContact CD1-CD1 3.94Å; L1656-L1660 HydrophobicContact CD1-CD2 4.5Å; L1656-L1660 HydrophobicContact CD1-CG 4.17Å; L1656-L1660 HydrophobicContact CD2-CD1 4.46Å; L1656-L1660 HydrophobicContact CG-CD1 3.94Å; L1656-L1660 HydrophobicContact CG-CG 4.29Å; L1656-L1660 VanDerWaalsContact O-CB 3.28Å; L1656-L1660 WeakPolarHBondContact O-CB 3.21Å; L1656-L1660 VanDerWaalsContact O-CG 3.32Å; L1656-L1660 WeakPolarHBondContact O-CG 3.32Å; L1656-L1660 PolarHBondContact O-N 3.14Å; L1656-I1685 HydrophobicContact CD1-CD1 3.84Å; L1656-L1713 HydrophobicContact CD1-CD2 4.49Å; L1656-L1713 HydrophobicContact CD2-CD2 4.4Å; L1656-L1716 HydrophobicContact CD2-CD1 3.58Å; L1656-L1716 VanDerWaalsContact CD2-CD1 3.43Å; L1656-L1716 HydrophobicContact CD2-CD2 4.49Å; L1656-T1843 HydrophobicContact CD2-CG2 3.68Å; L1656-T1843 HydrophobicContact CG-CG2 3.99Å |
| 1657 | Q | 74.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.1 | -176.4 | 173 | -6.8 | 0 | 0 | 111.8 | L1594 P1653 I1654 L1659 L1660 T1661 | L1594-Q1657 HydrophobicContact CD1-CB 4.42Å; L1594-Q1657 HydrophobicContact CD1-CG 4.49Å; L1594-Q1657 VanDerWaalsContact CD2-NE2 3.34Å; P1653-Q1657 WeakPolarHBondContact O-CB 3.25Å; P1653-Q1657 PolarHBondContact O-N 3.08Å; I1654-Q1657 PolarHBondContact O-N 3.28Å; Q1657-L1659 PolarHBondContact O-N 3.25Å; Q1657-L1660 PolarHBondContact O-N 3.35Å; Q1657-T1661 HydrophobicContact CG-CG2 4.08Å; Q1657-T1661 WeakPolarHBondContact O-CB 3.3Å; Q1657-T1661 VanDerWaalsContact O-CG2 3.27Å; Q1657-T1661 WeakPolarHBondContact O-CG2 3.33Å; Q1657-T1661 PolarHBondContact O-N 3.25Å; Q1657-T1661 PolarHBondContact O-OG1 3.21Å |
| 1658 | R | 77.3 | Confident | 78.3 | Confident | 99.2 Ų | 99.2 | 40.1 Ų | 40.1 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -42.6 | 177.6 | -171 | 100.7 | -179.4 | 158.4 | -3.4 | 112.2 | L1619 I1622 D1623 I1654 W1655 L1656 L1660 T1661 R1662 | L1619-R1658 HydrophobicContact CD2-CG 4.45Å; I1622-R1658 HydrophobicContact CB-CG 4.47Å; I1622-R1658 HydrophobicContact CG2-CB 4.34Å; I1622-R1658 HydrophobicContact CG2-CG 4.25Å; D1623-R1658 VanDerWaalsContact CG-NH2 3.35Å; D1623-R1658 IonicContact OD1-CZ 3.36Å; D1623-R1658 VanDerWaalsContact OD1-CZ 3.32Å; D1623-R1658 IonicContact OD1-NE 3.04Å; D1623-R1658 PolarHBondContact OD1-NE 3.1Å; D1623-R1658 IonicContact OD1-NH2 3.36Å; D1623-R1658 PolarHBondContact OD1-NH2 3.16Å; D1623-R1658 IonicContact OD2-CZ 3.52Å; D1623-R1658 IonicContact OD2-NE 3.24Å; D1623-R1658 PolarHBondContact OD2-NE 3.06Å; D1623-R1658 IonicContact OD2-NH2 3.15Å; D1623-R1658 PolarHBondContact OD2-NH2 3.17Å; I1654-R1658 WeakPolarHBondContact O-CB 3.44Å; I1654-R1658 PolarHBondContact O-N 3.08Å; W1655-R1658 PolarHBondContact O-N 3.17Å; L1656-R1658 VanDerWaalsContact C-N 3.32Å; L1656-R1658 PolarHBondContact O-N 3.23Å; R1658-L1660 VanDerWaalsContact C-N 3.29Å; R1658-L1660 PolarHBondContact O-N 3.16Å; R1658-T1661 WeakPolarHBondContact CA-OG1 3.41Å; R1658-T1661 PolarHBondContact O-N 3.27Å; R1658-T1661 PolarHBondContact O-OG1 3.09Å; R1658-T1661 VanDerWaalsContact O-OG1 3.12Å; R1658-R1662 PolarHBondContact O-N 3.22Å |
| 1659 | L | 81.2 | Confident | 77.9 | Confident | 7.2 Ų | 7.2 | 42.7 Ų | 42.7 | 4% | 0.038 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.7 | -178.6 | 135.8 | 0 | 0 | 0 | 112 | I1622 L1646 I1649 W1655 L1656 Q1657 R1662 W1679 I1685 | I1622-L1659 HydrophobicContact CG2-CB 3.97Å; I1622-L1659 HydrophobicContact CG2-CD1 4.48Å; L1646-L1659 HydrophobicContact CD2-CD1 3.62Å; L1646-L1659 HydrophobicContact CD2-CD2 4.37Å; I1649-L1659 HydrophobicContact CD1-CD1 3.95Å; I1649-L1659 HydrophobicContact CG2-CB 4.43Å; I1649-L1659 HydrophobicContact CG2-CD1 4.33Å; W1655-L1659 WeakPolarHBondContact O-CB 3.39Å; W1655-L1659 PolarHBondContact O-N 3.09Å; L1656-L1659 PolarHBondContact O-N 3.27Å; Q1657-L1659 PolarHBondContact O-N 3.25Å; L1659-R1662 WeakPolarHBondContact O-CG 3.34Å; L1659-R1662 PolarHBondContact O-NE 3.28Å; L1659-W1679 HydrophobicContact CD2-CH2 3.99Å; L1659-W1679 HydrophobicContact CD2-CZ2 3.74Å; L1659-W1679 HydrophobicContact CG-CZ2 4.14Å; L1659-I1685 HydrophobicContact CD2-CD1 4.18Å |
| 1660 | L | 77.3 | Confident | 77.5 | Confident | 12.6 Ų | 12.6 | 47 Ų | 47 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.7 | -33.2 | -178.8 | -69.3 | 177.6 | 0 | 0 | 0 | 113.4 | L1656 Q1657 R1658 R1662 P1682 I1685 N1841 T1843 | L1656-L1660 HydrophobicContact CD1-CD1 3.94Å; L1656-L1660 HydrophobicContact CD1-CD2 4.5Å; L1656-L1660 HydrophobicContact CD1-CG 4.17Å; L1656-L1660 HydrophobicContact CD2-CD1 4.46Å; L1656-L1660 HydrophobicContact CG-CD1 3.94Å; L1656-L1660 HydrophobicContact CG-CG 4.29Å; L1656-L1660 VanDerWaalsContact O-CB 3.28Å; L1656-L1660 WeakPolarHBondContact O-CB 3.21Å; L1656-L1660 VanDerWaalsContact O-CG 3.32Å; L1656-L1660 WeakPolarHBondContact O-CG 3.32Å; L1656-L1660 PolarHBondContact O-N 3.14Å; Q1657-L1660 PolarHBondContact O-N 3.35Å; R1658-L1660 VanDerWaalsContact C-N 3.29Å; R1658-L1660 PolarHBondContact O-N 3.16Å; L1660-R1662 VanDerWaalsContact C-N 3.3Å; L1660-R1662 PolarHBondContact O-N 3.4Å; L1660-P1682 HydrophobicContact CB-CB 3.53Å; L1660-P1682 HydrophobicContact CB-CG 4.46Å; L1660-P1682 HydrophobicContact CD1-CB 4.28Å; L1660-P1682 HydrophobicContact CD2-CB 3.63Å; L1660-P1682 WeakPolarHBondContact CD2-O 3.37Å; L1660-P1682 HydrophobicContact CG-CB 3.98Å; L1660-P1682 WeakPolarHBondContact O-CB 3.34Å; L1660-P1682 WeakPolarHBondContact O-CG 3.37Å; L1660-I1685 HydrophobicContact CD2-CB 4.37Å; L1660-I1685 HydrophobicContact CD2-CG2 4.3Å; L1660-N1841 HydrophobicContact CB-CB 4.39Å; L1660-N1841 PolarHBondContact O-OD1 3.4Å; L1660-T1843 HydrophobicContact CD1-CG2 3.74Å |
| 1661 | T | 71.8 | Confident | 77.3 | Confident | 51.8 Ų | 51.8 | 48.5 Ų | 48.5 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -81.9 | -5.8 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | Q1657 R1658 N1841 | Q1657-T1661 HydrophobicContact CG-CG2 4.08Å; Q1657-T1661 WeakPolarHBondContact O-CB 3.3Å; Q1657-T1661 VanDerWaalsContact O-CG2 3.27Å; Q1657-T1661 WeakPolarHBondContact O-CG2 3.33Å; Q1657-T1661 PolarHBondContact O-N 3.25Å; Q1657-T1661 PolarHBondContact O-OG1 3.21Å; R1658-T1661 WeakPolarHBondContact CA-OG1 3.41Å; R1658-T1661 PolarHBondContact O-N 3.27Å; R1658-T1661 PolarHBondContact O-OG1 3.09Å; R1658-T1661 VanDerWaalsContact O-OG1 3.12Å; T1661-N1841 HydrophobicContact CG2-CB 3.82Å; T1661-N1841 VanDerWaalsContact CG2-ND2 3.32Å; T1661-N1841 WeakPolarHBondContact CG2-ND2 3.39Å; T1661-N1841 WeakPolarHBondContact CG2-OD1 3.46Å |
| 1662 | R | 74.3 | Confident | 77.3 | Confident | 37.8 Ų | 37.8 | 45.6 Ų | 45.6 | 14% | 0.143 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -74.5 | 140 | -174.5 | -177.8 | -175.7 | 119.5 | -169.8 | 3.4 | 112.8 | I1622 D1623 E1624 E1625 L1628 R1658 L1659 L1660 I1664 | I1622-R1662 PolarHBondContact O-NH1 3.05Å; D1623-R1662 VanDerWaalsContact C-CZ 3.43Å; D1623-R1662 VanDerWaalsContact CA-CD 3.45Å; D1623-R1662 VanDerWaalsContact O-CD 3.24Å; D1623-R1662 WeakPolarHBondContact O-CD 3.35Å; D1623-R1662 PolarHBondContact O-NE 3.01Å; D1623-R1662 PolarHBondContact O-NH1 3.19Å; D1623-R1662 PolarHBondContact O-NH2 3.39Å; E1624-R1662 VanDerWaalsContact C-NH1 3.31Å; E1624-R1662 PolarHBondContact O-NH1 3.19Å; E1625-R1662 VanDerWaalsContact CA-NH2 3.26Å; E1625-R1662 VanDerWaalsContact CB-NH2 3.26Å; E1625-R1662 VanDerWaalsContact CD-NH2 3.27Å; E1625-R1662 IonicContact OE1-CZ 3.34Å; E1625-R1662 IonicContact OE1-NE 3.36Å; E1625-R1662 IonicContact OE1-NH2 2.95Å; E1625-R1662 PolarHBondContact OE1-NH2 3.28Å; E1625-R1662 VanDerWaalsContact OE1-NH2 3.09Å; L1628-R1662 VanDerWaalsContact CD1-NH2 3.28Å; R1658-R1662 PolarHBondContact O-N 3.22Å; L1659-R1662 WeakPolarHBondContact O-CG 3.34Å; L1659-R1662 PolarHBondContact O-NE 3.28Å; L1660-R1662 VanDerWaalsContact C-N 3.3Å; L1660-R1662 PolarHBondContact O-N 3.4Å; R1662-I1664 HydrophobicContact CG-CG1 4.32Å; R1662-I1664 PolarHBondContact O-N 3.17Å |
| 1663 | N | 71.1 | Confident | 77.2 | Confident | 146.2 Ų | 146.2 | 48.1 Ų | 48.1 | 78% | 0.782 | 26% | 0.256 | S | S | * | . | trans | -76.6 | 123.3 | 166.7 | -72.6 | -29.5 | 0 | 0 | 0 | 110.2 | ||||
| 1664 | I | 76.6 | Confident | 77.3 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.087 | 28% | 0.275 | C | S | . | . | trans | -95.7 | 136.2 | 179.3 | -64.3 | 164.1 | 0 | 0 | 0 | 109.7 | E1625 L1628 R1662 T1668 R1669 W1679 | E1625-I1664 HydrophobicContact CG-CG2 4.41Å; E1625-I1664 WeakPolarHBondContact OE1-CA 3.3Å; L1628-I1664 HydrophobicContact CD1-CD1 3.5Å; L1628-I1664 HydrophobicContact CD1-CG1 3.95Å; L1628-I1664 HydrophobicContact CD1-CG2 4.47Å; R1662-I1664 HydrophobicContact CG-CG1 4.32Å; R1662-I1664 PolarHBondContact O-N 3.17Å; I1664-T1668 HydrophobicContact CG2-CG2 3.65Å; I1664-T1668 WeakPolarHBondContact CG2-OG1 3.24Å; I1664-R1669 HydrophobicContact CB-CG 4.42Å; I1664-R1669 HydrophobicContact CG2-CG 3.98Å; I1664-R1669 PolarHBondContact O-NE 2.88Å; I1664-R1669 PolarHBondContact O-NH2 3.15Å; I1664-W1679 HydrophobicContact CD1-CB 4.17Å; I1664-W1679 HydrophobicContact CD1-CD2 4.03Å; I1664-W1679 VanDerWaalsContact CD1-CE2 3.48Å; I1664-W1679 HydrophobicContact CD1-CG 3.51Å; I1664-W1679 HydrophobicContact CD1-CZ2 4.27Å; I1664-W1679 VanDerWaalsContact CD1-NE1 3.29Å | ||
| 1665 | S | 80.4 | Confident | 77.1 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -57.3 | 155.9 | 177.8 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | E1625 E1667 T1668 R1669 | E1625-S1665 VanDerWaalsContact OE1-CB 3.23Å; E1625-S1665 WeakPolarHBondContact OE1-CB 3.47Å; E1625-S1665 PolarHBondContact OE1-N 2.9Å; E1625-S1665 PolarHBondContact OE1-OG 2.97Å; E1625-S1665 VanDerWaalsContact OE2-CB 3.29Å; E1625-S1665 WeakPolarHBondContact OE2-CB 3.35Å; E1625-S1665 PolarHBondContact OE2-N 3.05Å; E1625-S1665 PolarHBondContact OE2-OG 3.24Å; S1665-E1667 VanDerWaalsContact C-N 3.26Å; S1665-E1667 PolarHBondContact O-N 3.1Å; S1665-T1668 PolarHBondContact N-OG1 3.13Å; S1665-T1668 PolarHBondContact O-N 3.06Å; S1665-T1668 PolarHBondContact O-OG1 3.29Å; S1665-T1668 VanDerWaalsContact O-OG1 3.11Å; S1665-T1668 WeakPolarHBondContact OG-CB 3.4Å; S1665-T1668 PolarHBondContact OG-N 3.09Å; S1665-T1668 VanDerWaalsContact OG-N 3.15Å; S1665-T1668 PolarHBondContact OG-OG1 3.24Å; S1665-R1669 PolarHBondContact O-N 3.12Å; S1665-R1669 VanDerWaalsContact O-N 3.11Å; S1665-R1669 PolarHBondContact O-NE 3.38Å | ||
| 1666 | T | 76.2 | Confident | 76.7 | Confident | 102.4 Ų | 102.4 | 57.4 Ų | 57.4 | 63% | 0.628 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.1 | -37.7 | 176.3 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | R1669 T1670 | T1666-R1669 VanDerWaalsContact CG2-NH2 3.32Å; T1666-R1669 PolarHBondContact O-N 3.1Å; T1666-T1670 WeakPolarHBondContact O-CG2 3.4Å; T1666-T1670 PolarHBondContact O-N 3.1Å; T1666-T1670 PolarHBondContact O-OG1 3.05Å |
| 1667 | E | 77.4 | Confident | 76.3 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 45% | 0.453 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 179.1 | -174.5 | 177.3 | -177.4 | 0 | 0 | 111.5 | N1556 S1665 R1669 T1670 L1671 | N1556-E1667 WeakPolarHBondContact CB-OE1 3.46Å; N1556-E1667 PolarHBondContact ND2-OE1 2.99Å; S1665-E1667 VanDerWaalsContact C-N 3.26Å; S1665-E1667 PolarHBondContact O-N 3.1Å; E1667-R1669 VanDerWaalsContact C-N 3.3Å; E1667-R1669 PolarHBondContact O-N 3.21Å; E1667-T1670 WeakPolarHBondContact CA-OG1 3.38Å; E1667-T1670 PolarHBondContact O-N 3.22Å; E1667-T1670 VanDerWaalsContact O-N 3.14Å; E1667-T1670 PolarHBondContact O-OG1 3.28Å; E1667-L1671 HydrophobicContact CG-CD1 4.36Å; E1667-L1671 WeakPolarHBondContact O-CB 3.45Å; E1667-L1671 WeakPolarHBondContact O-CG 3.31Å; E1667-L1671 PolarHBondContact O-N 3.12Å |
| 1668 | T | 78.6 | Confident | 76 | Confident | 0.4 Ų | 0.4 | 61.4 Ų | 61.4 | 0% | 0.002 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 179 | -21.9 | 0 | 0 | 0 | 0 | 112.1 | E1625 L1628 Q1629 I1664 S1665 T1670 L1671 L1672 | E1625-T1668 HydrophobicContact CB-CG2 4.01Å; E1625-T1668 HydrophobicContact CG-CG2 4.3Å; E1625-T1668 WeakPolarHBondContact OE2-CB 3.39Å; E1625-T1668 WeakPolarHBondContact OE2-CG2 3.31Å; E1625-T1668 PolarHBondContact OE2-OG1 3.14Å; L1628-T1668 HydrophobicContact CB-CG2 4.07Å; L1628-T1668 HydrophobicContact CD1-CG2 4.46Å; Q1629-T1668 HydrophobicContact CG-CG2 3.65Å; Q1629-T1668 PolarHBondContact NE2-OG1 3.19Å; I1664-T1668 HydrophobicContact CG2-CG2 3.65Å; I1664-T1668 WeakPolarHBondContact CG2-OG1 3.24Å; S1665-T1668 PolarHBondContact N-OG1 3.13Å; S1665-T1668 PolarHBondContact O-N 3.06Å; S1665-T1668 PolarHBondContact O-OG1 3.29Å; S1665-T1668 VanDerWaalsContact O-OG1 3.11Å; S1665-T1668 WeakPolarHBondContact OG-CB 3.4Å; S1665-T1668 PolarHBondContact OG-N 3.09Å; S1665-T1668 VanDerWaalsContact OG-N 3.15Å; S1665-T1668 PolarHBondContact OG-OG1 3.24Å; T1668-T1670 VanDerWaalsContact C-N 3.34Å; T1668-T1670 PolarHBondContact O-N 3.21Å; T1668-L1671 WeakPolarHBondContact O-CB 3.46Å; T1668-L1671 PolarHBondContact O-N 3.13Å; T1668-L1672 HydrophobicContact CG2-CD1 4.07Å; T1668-L1672 HydrophobicContact CG2-CG 4.41Å; T1668-L1672 WeakPolarHBondContact O-CB 3.33Å; T1668-L1672 VanDerWaalsContact O-CG 3.28Å; T1668-L1672 WeakPolarHBondContact O-CG 3.38Å; T1668-L1672 PolarHBondContact O-N 3.18Å |
| 1669 | R | 78.3 | Confident | 75.6 | Confident | 106.2 Ų | 106.2 | 57.6 Ų | 57.6 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 173 | -133.5 | -177.6 | -66.3 | 115.6 | 3.6 | 112.1 | I1664 S1665 T1666 E1667 L1671 L1672 A1673 | I1664-R1669 HydrophobicContact CB-CG 4.42Å; I1664-R1669 HydrophobicContact CG2-CG 3.98Å; I1664-R1669 PolarHBondContact O-NE 2.88Å; I1664-R1669 PolarHBondContact O-NH2 3.15Å; S1665-R1669 PolarHBondContact O-N 3.12Å; S1665-R1669 VanDerWaalsContact O-N 3.11Å; S1665-R1669 PolarHBondContact O-NE 3.38Å; T1666-R1669 VanDerWaalsContact CG2-NH2 3.32Å; T1666-R1669 PolarHBondContact O-N 3.1Å; E1667-R1669 VanDerWaalsContact C-N 3.3Å; E1667-R1669 PolarHBondContact O-N 3.21Å; R1669-L1671 VanDerWaalsContact C-N 3.33Å; R1669-L1671 PolarHBondContact O-N 2.61Å; R1669-L1672 PolarHBondContact O-N 3.35Å; R1669-A1673 VanDerWaalsContact O-CB 3.28Å; R1669-A1673 WeakPolarHBondContact O-CB 3.33Å; R1669-A1673 PolarHBondContact O-N 2.99Å |
| 1670 | T | 78.1 | Confident | 74.8 | Confident | 91.4 Ų | 91.4 | 60.8 Ų | 60.8 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.5 | -36.2 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | T1666 E1667 T1668 A1673 A1674 | T1666-T1670 WeakPolarHBondContact O-CG2 3.4Å; T1666-T1670 PolarHBondContact O-N 3.1Å; T1666-T1670 PolarHBondContact O-OG1 3.05Å; E1667-T1670 WeakPolarHBondContact CA-OG1 3.38Å; E1667-T1670 PolarHBondContact O-N 3.22Å; E1667-T1670 VanDerWaalsContact O-N 3.14Å; E1667-T1670 PolarHBondContact O-OG1 3.28Å; T1668-T1670 VanDerWaalsContact C-N 3.34Å; T1668-T1670 PolarHBondContact O-N 3.21Å; T1670-A1673 PolarHBondContact O-N 3.26Å; T1670-A1674 WeakPolarHBondContact O-CB 3.33Å; T1670-A1674 PolarHBondContact O-N 3.07Å |
| 1671 | L | 77.5 | Confident | 74.3 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.6 | -106.4 | 172.1 | 0 | 0 | 0 | 111.7 | R1555 Q1629 T1632 E1667 T1668 R1669 A1674 H1675 | R1555-L1671 VanDerWaalsContact NH2-CD1 3.28Å; Q1629-L1671 HydrophobicContact CG-CD1 4.42Å; T1632-L1671 HydrophobicContact CG2-CD2 3.59Å; T1632-L1671 WeakPolarHBondContact OG1-CD2 3.45Å; E1667-L1671 HydrophobicContact CG-CD1 4.36Å; E1667-L1671 WeakPolarHBondContact O-CB 3.45Å; E1667-L1671 WeakPolarHBondContact O-CG 3.31Å; E1667-L1671 PolarHBondContact O-N 3.12Å; T1668-L1671 WeakPolarHBondContact O-CB 3.46Å; T1668-L1671 PolarHBondContact O-N 3.13Å; R1669-L1671 VanDerWaalsContact C-N 3.33Å; R1669-L1671 PolarHBondContact O-N 2.61Å; L1671-A1674 PolarHBondContact O-N 3.16Å; L1671-H1675 PolarHBondContact O-N 3.22Å; L1671-H1675 PolarHBondContact O-ND1 3.06Å |
| 1672 | L | 80.2 | Confident | 74.1 | Confident | 1.4 Ų | 1.4 | 59.2 Ų | 59.2 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.7 | -73.3 | 173.5 | 0 | 0 | 0 | 110.7 | L1628 T1632 T1668 R1669 A1674 H1675 S1676 F1677 W1679 | L1628-L1672 HydrophobicContact CB-CD1 4.34Å; L1628-L1672 HydrophobicContact CD1-CD1 4.37Å; T1632-L1672 HydrophobicContact CG2-CD2 3.91Å; T1668-L1672 HydrophobicContact CG2-CD1 4.07Å; T1668-L1672 HydrophobicContact CG2-CG 4.41Å; T1668-L1672 WeakPolarHBondContact O-CB 3.33Å; T1668-L1672 VanDerWaalsContact O-CG 3.28Å; T1668-L1672 WeakPolarHBondContact O-CG 3.38Å; T1668-L1672 PolarHBondContact O-N 3.18Å; R1669-L1672 PolarHBondContact O-N 3.35Å; L1672-A1674 VanDerWaalsContact C-N 3.29Å; L1672-A1674 PolarHBondContact O-N 3.27Å; L1672-H1675 CarbonylContact O-C 3.56Å; L1672-H1675 WeakPolarHBondContact O-CA 3.41Å; L1672-H1675 PolarHBondContact O-N 3.1Å; L1672-S1676 PolarHBondContact O-N 3.08Å; L1672-F1677 CarbonylContact C-O 3.55Å; L1672-F1677 VanDerWaalsContact C-O 3.23Å; L1672-F1677 HydrophobicContact CB-CB 3.9Å; L1672-F1677 WeakPolarHBondContact CB-O 3.39Å; L1672-F1677 HydrophobicContact CD2-CB 4.14Å; L1672-F1677 HydrophobicContact CD2-CD2 4.09Å; L1672-F1677 HydrophobicContact CD2-CG 4.4Å; L1672-F1677 WeakPolarHBondContact O-CA 3.32Å; L1672-F1677 WeakPolarHBondContact O-CB 3.35Å; L1672-F1677 PolarHBondContact O-N 3.31Å; L1672-W1679 HydrophobicContact CD1-CB 3.97Å; L1672-W1679 HydrophobicContact CD1-CD2 4.46Å; L1672-W1679 HydrophobicContact CD1-CE3 4.23Å; L1672-W1679 HydrophobicContact CD1-CG 4.37Å |
| 1673 | A | 78.6 | Confident | 74.1 | Confident | 54.4 Ų | 54.4 | 57.5 Ų | 57.5 | 45% | 0.45 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1669 T1670 H1675 S1676 F1677 | R1669-A1673 VanDerWaalsContact O-CB 3.28Å; R1669-A1673 WeakPolarHBondContact O-CB 3.33Å; R1669-A1673 PolarHBondContact O-N 2.99Å; T1670-A1673 PolarHBondContact O-N 3.26Å; A1673-H1675 PolarHBondContact O-N 3.17Å; A1673-S1676 PolarHBondContact O-N 3.38Å; A1673-F1677 WeakPolarHBondContact CA-O 3.4Å; A1673-F1677 PolarHBondContact N-O 3.14Å; A1673-F1677 VanDerWaalsContact N-O 3.13Å |
| 1674 | A | 75.6 | Confident | 74.5 | Confident | 81.4 Ų | 81.4 | 50.7 Ų | 50.7 | 67% | 0.673 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -22.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1670 L1671 L1672 | T1670-A1674 WeakPolarHBondContact O-CB 3.33Å; T1670-A1674 PolarHBondContact O-N 3.07Å; L1671-A1674 PolarHBondContact O-N 3.16Å; L1672-A1674 VanDerWaalsContact C-N 3.29Å; L1672-A1674 PolarHBondContact O-N 3.27Å |
| 1675 | H | 72 | Confident | 74.9 | Confident | 86.8 Ų | 86.8 | 50 Ų | 50 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 24.4 | 173.5 | -65.8 | 71.3 | 0 | 0 | 0 | 111.8 | T1632 L1671 L1672 A1673 F1677 | T1632-H1675 VanDerWaalsContact CB-CD2 3.48Å; T1632-H1675 WeakPolarHBondContact CB-CD2 3.11Å; T1632-H1675 HydrophobicContact CG2-CB 4.09Å; L1671-H1675 PolarHBondContact O-N 3.22Å; L1671-H1675 PolarHBondContact O-ND1 3.06Å; L1672-H1675 CarbonylContact O-C 3.56Å; L1672-H1675 WeakPolarHBondContact O-CA 3.41Å; L1672-H1675 PolarHBondContact O-N 3.1Å; A1673-H1675 PolarHBondContact O-N 3.17Å; H1675-F1677 VanDerWaalsContact C-N 3.28Å; H1675-F1677 HydrophobicContact CB-CD2 3.6Å; H1675-F1677 HydrophobicContact CB-CE2 3.56Å; H1675-F1677 VanDerWaalsContact CB-CE2 3.48Å; H1675-F1677 VanDerWaalsContact O-CD2 3.29Å; H1675-F1677 WeakPolarHBondContact O-CD2 3.39Å; H1675-F1677 WeakPolarHBondContact O-CE2 3.39Å; H1675-F1677 PolarHBondContact O-N 3.35Å |
| 1676 | S | 72.8 | Confident | 75.2 | Confident | 87.2 Ų | 87.2 | 48 Ų | 48 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.4 | 179.3 | 50.5 | 0 | 0 | 0 | 0 | 115.5 | L1672 A1673 H1691 | L1672-S1676 PolarHBondContact O-N 3.08Å; A1673-S1676 PolarHBondContact O-N 3.38Å; S1676-H1691 PolarHBondContact OG-CE1 2.92Å; S1676-H1691 VanDerWaalsContact OG-CE1 3.27Å |
| 1677 | F | 71.5 | Confident | 75.6 | Confident | 10.6 Ų | 10.6 | 45.3 Ų | 45.3 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | trans | -104 | 113.6 | 173.8 | -56 | -67.7 | 0 | 0 | 0 | 111.3 | T1632 L1672 A1673 H1675 W1679 V1688 H1691 F1692 | T1632-F1677 HydrophobicContact CG2-CD2 4.3Å; T1632-F1677 HydrophobicContact CG2-CE2 4.38Å; L1672-F1677 CarbonylContact C-O 3.55Å; L1672-F1677 VanDerWaalsContact C-O 3.23Å; L1672-F1677 HydrophobicContact CB-CB 3.9Å; L1672-F1677 WeakPolarHBondContact CB-O 3.39Å; L1672-F1677 HydrophobicContact CD2-CB 4.14Å; L1672-F1677 HydrophobicContact CD2-CD2 4.09Å; L1672-F1677 HydrophobicContact CD2-CG 4.4Å; L1672-F1677 WeakPolarHBondContact O-CA 3.32Å; L1672-F1677 WeakPolarHBondContact O-CB 3.35Å; L1672-F1677 PolarHBondContact O-N 3.31Å; A1673-F1677 WeakPolarHBondContact CA-O 3.4Å; A1673-F1677 PolarHBondContact N-O 3.14Å; A1673-F1677 VanDerWaalsContact N-O 3.13Å; H1675-F1677 VanDerWaalsContact C-N 3.28Å; H1675-F1677 HydrophobicContact CB-CD2 3.6Å; H1675-F1677 HydrophobicContact CB-CE2 3.56Å; H1675-F1677 VanDerWaalsContact CB-CE2 3.48Å; H1675-F1677 VanDerWaalsContact O-CD2 3.29Å; H1675-F1677 WeakPolarHBondContact O-CD2 3.39Å; H1675-F1677 WeakPolarHBondContact O-CE2 3.39Å; H1675-F1677 PolarHBondContact O-N 3.35Å; F1677-W1679 PolarHBondContact O-N 2.99Å; F1677-V1688 HydrophobicContact CB-CG2 4.41Å; F1677-V1688 HydrophobicContact CD1-CB 4.38Å; F1677-V1688 HydrophobicContact CD1-CG1 4.32Å; F1677-V1688 HydrophobicContact CD1-CG2 3.9Å; F1677-V1688 HydrophobicContact CE1-CG1 4.33Å; F1677-V1688 HydrophobicContact CE1-CG2 4.39Å; F1677-V1688 HydrophobicContact CG-CG2 4.44Å; F1677-H1691 HydrophobicContact CD1-CB 4.38Å; F1677-H1691 HydrophobicContact CE1-CB 3.9Å; F1677-H1691 AromaticContact CE1-CD2 3.17Å; F1677-H1691 WeakPolarHBondContact CE1-CD2 3.36Å; F1677-H1691 AromaticContact CE1-CG 3.5Å; F1677-H1691 VanDerWaalsContact CE1-CG 3.47Å; F1677-H1691 AromaticContact CE1-NE2 3.74Å; F1677-H1691 AromaticContact CZ-CD2 3.37Å; F1677-H1691 VanDerWaalsContact CZ-CD2 3.44Å; F1677-H1691 WeakPolarHBondContact CZ-CD2 3.24Å; F1677-H1691 AromaticContact CZ-NE2 3.61Å; F1677-F1692 HydrophobicContact CE1-CD2 4.33Å; F1677-F1692 AromaticContact CE1-CE2 3.88Å; F1677-F1692 HydrophobicContact CE1-CE2 3.88Å; F1677-F1692 HydrophobicContact CE1-CZ 4.24Å; F1677-F1692 HydrophobicContact CE2-CE2 4.32Å; F1677-F1692 AromaticContact CE2-CZ 3.99Å; F1677-F1692 HydrophobicContact CE2-CZ 4.05Å; F1677-F1692 HydrophobicContact CZ-CD2 4.27Å; F1677-F1692 AromaticContact CZ-CE1 3.89Å; F1677-F1692 HydrophobicContact CZ-CE1 4.1Å; F1677-F1692 AromaticContact CZ-CE2 3.53Å; F1677-F1692 HydrophobicContact CZ-CE2 3.53Å; F1677-F1692 VanDerWaalsContact CZ-CE2 3.46Å; F1677-F1692 AromaticContact CZ-CZ 3.42Å; F1677-F1692 HydrophobicContact CZ-CZ 3.42Å; F1677-F1692 VanDerWaalsContact CZ-CZ 3.44Å | ||
| 1678 | E | 68.4 | Low | 76 | Confident | 122.8 Ų | 122.8 | 40.9 Ų | 40.9 | 57% | 0.574 | 24% | 0.238 | S | C | * | . | trans | -96.8 | 97.3 | 171.5 | -70.2 | -168.8 | 176.1 | 0 | 0 | 110.8 | S1680 S1681 | E1678-S1680 VanDerWaalsContact C-N 3.3Å; E1678-S1680 PolarHBondContact O-N 3.38Å; E1678-S1680 VanDerWaalsContact O-N 3.09Å; E1678-S1681 PolarHBondContact O-N 3.36Å; E1678-S1681 PolarHBondContact O-OG 3.11Å | ||
| 1679 | W | 70.6 | Confident | 76.6 | Confident | 20.6 Ų | 20.6 | 40.9 Ų | 40.9 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 15.7 | 177.3 | -159.8 | -74.7 | 0 | 0 | 0 | 112.8 | L1628 L1631 L1659 I1664 L1672 F1677 S1681 A1684 I1685 V1688 | L1628-W1679 HydrophobicContact CD1-CD2 4.06Å; L1628-W1679 HydrophobicContact CD1-CE3 4.4Å; L1628-W1679 HydrophobicContact CD1-CG 4.42Å; L1628-W1679 HydrophobicContact CD1-CH2 4.4Å; L1628-W1679 HydrophobicContact CD1-CZ2 4.32Å; L1628-W1679 HydrophobicContact CD2-CD2 4.12Å; L1628-W1679 HydrophobicContact CD2-CE3 4.02Å; L1628-W1679 HydrophobicContact CD2-CH2 3.38Å; L1628-W1679 VanDerWaalsContact CD2-CH2 3.48Å; L1628-W1679 HydrophobicContact CD2-CZ2 3.87Å; L1628-W1679 VanDerWaalsContact CD2-CZ2 3.45Å; L1628-W1679 HydrophobicContact CD2-CZ3 3.46Å; L1628-W1679 VanDerWaalsContact CD2-CZ3 3.43Å; L1631-W1679 HydrophobicContact CD1-CZ3 4.26Å; L1659-W1679 HydrophobicContact CD2-CH2 3.99Å; L1659-W1679 HydrophobicContact CD2-CZ2 3.74Å; L1659-W1679 HydrophobicContact CG-CZ2 4.14Å; I1664-W1679 HydrophobicContact CD1-CB 4.17Å; I1664-W1679 HydrophobicContact CD1-CD2 4.03Å; I1664-W1679 VanDerWaalsContact CD1-CE2 3.48Å; I1664-W1679 HydrophobicContact CD1-CG 3.51Å; I1664-W1679 HydrophobicContact CD1-CZ2 4.27Å; I1664-W1679 VanDerWaalsContact CD1-NE1 3.29Å; L1672-W1679 HydrophobicContact CD1-CB 3.97Å; L1672-W1679 HydrophobicContact CD1-CD2 4.46Å; L1672-W1679 HydrophobicContact CD1-CE3 4.23Å; L1672-W1679 HydrophobicContact CD1-CG 4.37Å; F1677-W1679 PolarHBondContact O-N 2.99Å; W1679-S1681 PolarHBondContact O-N 3.38Å; W1679-A1684 HydrophobicContact CD2-CB 4.28Å; W1679-A1684 HydrophobicContact CE3-CB 4.32Å; W1679-A1684 HydrophobicContact CG-CB 4.35Å; W1679-I1685 HydrophobicContact CH2-CB 4.26Å; W1679-V1688 HydrophobicContact CE3-CG2 4.1Å; W1679-V1688 HydrophobicContact CZ3-CB 4.37Å; W1679-V1688 HydrophobicContact CZ3-CG1 4.43Å; W1679-V1688 HydrophobicContact CZ3-CG2 3.95Å |
| 1680 | S | 63.3 | Low | 77.1 | Confident | 74.6 Ų | 74.6 | 36 Ų | 36 | 52% | 0.522 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16.8 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | E1678 | E1678-S1680 VanDerWaalsContact C-N 3.3Å; E1678-S1680 PolarHBondContact O-N 3.38Å; E1678-S1680 VanDerWaalsContact O-N 3.09Å |
| 1681 | S | 66.8 | Low | 77.6 | Confident | 20.2 Ų | 20.2 | 34.1 Ų | 34.1 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -104.2 | 150.5 | 179.2 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | E1678 W1679 G1683 A1684 E1687 | E1678-S1681 PolarHBondContact O-N 3.36Å; E1678-S1681 PolarHBondContact O-OG 3.11Å; W1679-S1681 PolarHBondContact O-N 3.38Å; S1681-G1683 PolarHBondContact O-N 3.06Å; S1681-A1684 WeakPolarHBondContact O-CB 3.28Å; S1681-A1684 PolarHBondContact O-N 3.13Å; S1681-E1687 PolarHBondContact OG-OE2 2.81Å |
| 1682 | P | 67.7 | Low | 78.2 | Confident | 10.4 Ų | 10.4 | 32.6 Ų | 32.6 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 105.2 | 171.1 | 15.3 | -16.9 | 0 | 0 | 0 | 110.8 | L1660 A1684 I1685 P1838 K1840 V1846 Y1855 | L1660-P1682 HydrophobicContact CB-CB 3.53Å; L1660-P1682 HydrophobicContact CB-CG 4.46Å; L1660-P1682 HydrophobicContact CD1-CB 4.28Å; L1660-P1682 HydrophobicContact CD2-CB 3.63Å; L1660-P1682 WeakPolarHBondContact CD2-O 3.37Å; L1660-P1682 HydrophobicContact CG-CB 3.98Å; L1660-P1682 WeakPolarHBondContact O-CB 3.34Å; L1660-P1682 WeakPolarHBondContact O-CG 3.37Å; P1682-A1684 PolarHBondContact O-N 3.06Å; P1682-A1684 VanDerWaalsContact O-N 3.1Å; P1682-I1685 PolarHBondContact O-N 3.21Å; P1682-P1838 HydrophobicContact CB-CB 4.23Å; P1682-P1838 HydrophobicContact CB-CG 4.22Å; P1682-P1838 HydrophobicContact CG-CB 4.13Å; P1682-P1838 HydrophobicContact CG-CG 3.64Å; P1682-K1840 WeakPolarHBondContact CD-O 3.47Å; P1682-K1840 WeakPolarHBondContact CG-O 3.24Å; P1682-V1846 HydrophobicContact CB-CB 4.44Å; P1682-V1846 HydrophobicContact CB-CG1 4.07Å; P1682-V1846 HydrophobicContact CB-CG2 4.2Å; P1682-V1846 HydrophobicContact CG-CG1 3.84Å; P1682-V1846 VanDerWaalsContact O-CB 3.29Å; P1682-V1846 WeakPolarHBondContact O-CB 3.4Å; P1682-V1846 WeakPolarHBondContact O-CG1 3.35Å; P1682-Y1855 HydrophobicContact CG-CD1 3.68Å; P1682-Y1855 VanDerWaalsContact CG-CD1 3.46Å; P1682-Y1855 HydrophobicContact CG-CE1 3.73Å; P1682-Y1855 HydrophobicContact CG-CG 4.38Å |
| 1683 | G | 74.3 | Confident | 78.6 | Confident | 1.2 Ų | 1.2 | 32.6 Ų | 32.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 35.7 | 2.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1681 I1685 W1686 E1687 T1842 | S1681-G1683 PolarHBondContact O-N 3.06Å; G1683-I1685 PolarHBondContact O-N 3.21Å; G1683-I1685 VanDerWaalsContact O-N 3.1Å; G1683-W1686 WeakPolarHBondContact O-CB 3.31Å; G1683-W1686 PolarHBondContact O-N 3.09Å; G1683-W1686 VanDerWaalsContact O-N 3.08Å; G1683-E1687 PolarHBondContact O-N 2.69Å; G1683-T1842 PolarHBondContact N-OG1 3.04Å |
| 1684 | A | 79.3 | Confident | 79 | Confident | 3.2 Ų | 3.2 | 31.8 Ų | 31.8 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -52.6 | -27.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1679 S1681 P1682 W1686 E1687 V1688 | W1679-A1684 HydrophobicContact CD2-CB 4.28Å; W1679-A1684 HydrophobicContact CE3-CB 4.32Å; W1679-A1684 HydrophobicContact CG-CB 4.35Å; S1681-A1684 WeakPolarHBondContact O-CB 3.28Å; S1681-A1684 PolarHBondContact O-N 3.13Å; P1682-A1684 PolarHBondContact O-N 3.06Å; P1682-A1684 VanDerWaalsContact O-N 3.1Å; A1684-W1686 VanDerWaalsContact C-N 3.27Å; A1684-W1686 PolarHBondContact O-N 3.1Å; A1684-E1687 PolarHBondContact O-N 3.29Å; A1684-E1687 VanDerWaalsContact O-N 3.1Å; A1684-V1688 VanDerWaalsContact O-CG2 3.3Å; A1684-V1688 WeakPolarHBondContact O-CG2 3.3Å; A1684-V1688 PolarHBondContact O-N 3.17Å |
| 1685 | I | 85.4 | Confident | 79.5 | Confident | 1.8 Ų | 1.8 | 30 Ų | 30 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -33.1 | 176.7 | -161.5 | 166.8 | 0 | 0 | 0 | 112.5 | C1650 L1656 L1659 L1660 W1679 P1682 G1683 A1689 L1709 L1713 | C1650-I1685 VanDerWaalsContact SG-CD1 3.59Å; L1656-I1685 HydrophobicContact CD1-CD1 3.84Å; L1659-I1685 HydrophobicContact CD2-CD1 4.18Å; L1660-I1685 HydrophobicContact CD2-CB 4.37Å; L1660-I1685 HydrophobicContact CD2-CG2 4.3Å; W1679-I1685 HydrophobicContact CH2-CB 4.26Å; P1682-I1685 PolarHBondContact O-N 3.21Å; G1683-I1685 PolarHBondContact O-N 3.21Å; G1683-I1685 VanDerWaalsContact O-N 3.1Å; I1685-A1689 WeakPolarHBondContact O-CB 3.38Å; I1685-A1689 PolarHBondContact O-N 3.2Å; I1685-A1689 VanDerWaalsContact O-N 3.16Å; I1685-L1709 HydrophobicContact CD1-CD1 4.27Å; I1685-L1709 HydrophobicContact CG1-CD1 4.36Å; I1685-L1709 HydrophobicContact CG1-CD2 4.33Å; I1685-L1713 HydrophobicContact CD1-CD2 4.49Å; I1685-L1713 HydrophobicContact CG1-CD1 4.42Å; I1685-L1713 HydrophobicContact CG2-CD1 4.11Å; I1685-L1713 HydrophobicContact CG2-CD2 4.2Å |
| 1686 | W | 86.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -45.9 | 175.5 | -69.8 | 88.5 | 0 | 0 | 0 | 110.9 | G1683 A1684 V1688 A1689 F1690 L1710 L1713 T1714 L1718 T1843 P1845 L1862 L1865 | G1683-W1686 WeakPolarHBondContact O-CB 3.31Å; G1683-W1686 PolarHBondContact O-N 3.09Å; G1683-W1686 VanDerWaalsContact O-N 3.08Å; A1684-W1686 VanDerWaalsContact C-N 3.27Å; A1684-W1686 PolarHBondContact O-N 3.1Å; W1686-V1688 VanDerWaalsContact C-N 3.34Å; W1686-V1688 PolarHBondContact O-N 3.22Å; W1686-A1689 PolarHBondContact O-N 3.18Å; W1686-F1690 HydrophobicContact CE3-CE2 4.2Å; W1686-F1690 VanDerWaalsContact O-CD2 3.27Å; W1686-F1690 WeakPolarHBondContact O-CD2 3.37Å; W1686-F1690 PolarHBondContact O-N 3.2Å; W1686-L1710 HydrophobicContact CE3-CD2 3.75Å; W1686-L1710 HydrophobicContact CZ3-CD2 4.13Å; W1686-L1713 HydrophobicContact CD2-CB 4.43Å; W1686-L1713 HydrophobicContact CD2-CD1 4.04Å; W1686-L1713 HydrophobicContact CE3-CB 4.42Å; W1686-L1713 HydrophobicContact CE3-CD1 4.34Å; W1686-L1713 HydrophobicContact CG-CD1 4.35Å; W1686-L1713 VanDerWaalsContact CH2-C 3.48Å; W1686-L1713 HydrophobicContact CH2-CB 3.63Å; W1686-L1713 HydrophobicContact CZ2-CB 3.62Å; W1686-L1713 HydrophobicContact CZ2-CD2 4.48Å; W1686-L1713 HydrophobicContact CZ2-CG 4.46Å; W1686-L1713 HydrophobicContact CZ3-CB 4.05Å; W1686-T1714 HydrophobicContact CH2-CG2 3.77Å; W1686-T1714 HydrophobicContact CZ3-CG2 3.78Å; W1686-L1718 HydrophobicContact CH2-CD1 4.35Å; W1686-L1718 HydrophobicContact CZ2-CD2 4.41Å; W1686-T1843 PolarHBondContact NE1-O 3.26Å; W1686-P1845 HydrophobicContact CD2-CB 3.93Å; W1686-P1845 HydrophobicContact CE3-CB 4.36Å; W1686-P1845 HydrophobicContact CG-CB 4.21Å; W1686-P1845 HydrophobicContact CH2-CB 4.38Å; W1686-P1845 HydrophobicContact CH2-CG 4.35Å; W1686-P1845 HydrophobicContact CZ2-CB 4.22Å; W1686-P1845 HydrophobicContact CZ2-CG 4.21Å; W1686-P1845 HydrophobicContact CZ3-CB 4.48Å; W1686-L1862 HydrophobicContact CE3-CD1 4.27Å; W1686-L1862 HydrophobicContact CZ3-CD1 3.89Å; W1686-L1865 HydrophobicContact CB-CD1 4.29Å |
| 1687 | E | 84 | Confident | 80.3 | Confident | 46.6 Ų | 46.6 | 28.8 Ų | 28.8 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.9 | -85.2 | -135.9 | 159 | 0 | 0 | 112 | S1681 G1683 A1684 A1689 F1690 H1691 L1865 K1869 | S1681-E1687 PolarHBondContact OG-OE2 2.81Å; G1683-E1687 PolarHBondContact O-N 2.69Å; A1684-E1687 PolarHBondContact O-N 3.29Å; A1684-E1687 VanDerWaalsContact O-N 3.1Å; E1687-A1689 VanDerWaalsContact C-N 3.32Å; E1687-A1689 PolarHBondContact O-N 3.25Å; E1687-F1690 PolarHBondContact O-N 3.14Å; E1687-H1691 VanDerWaalsContact O-CB 3.27Å; E1687-H1691 WeakPolarHBondContact O-CB 3.35Å; E1687-H1691 PolarHBondContact O-N 3.12Å; E1687-L1865 HydrophobicContact CG-CD2 3.77Å; E1687-L1865 WeakPolarHBondContact OE1-CD2 3.18Å; E1687-K1869 IonicContact OE1-NZ 2.77Å; E1687-K1869 VanDerWaalsContact OE2-CE 3.3Å; E1687-K1869 WeakPolarHBondContact OE2-CE 3.36Å; E1687-K1869 IonicContact OE2-NZ 3.34Å; E1687-K1869 PolarHBondContact OE2-NZ 3.22Å |
| 1688 | V | 86.6 | Confident | 81 | Confident | 4.6 Ų | 4.6 | 29.3 Ų | 29.3 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 175.5 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | L1631 F1677 W1679 A1684 W1686 H1691 F1692 | L1631-V1688 HydrophobicContact CD1-CG1 3.97Å; F1677-V1688 HydrophobicContact CB-CG2 4.41Å; F1677-V1688 HydrophobicContact CD1-CB 4.38Å; F1677-V1688 HydrophobicContact CD1-CG1 4.32Å; F1677-V1688 HydrophobicContact CD1-CG2 3.9Å; F1677-V1688 HydrophobicContact CE1-CG1 4.33Å; F1677-V1688 HydrophobicContact CE1-CG2 4.39Å; F1677-V1688 HydrophobicContact CG-CG2 4.44Å; W1679-V1688 HydrophobicContact CE3-CG2 4.1Å; W1679-V1688 HydrophobicContact CZ3-CB 4.37Å; W1679-V1688 HydrophobicContact CZ3-CG1 4.43Å; W1679-V1688 HydrophobicContact CZ3-CG2 3.95Å; A1684-V1688 VanDerWaalsContact O-CG2 3.3Å; A1684-V1688 WeakPolarHBondContact O-CG2 3.3Å; A1684-V1688 PolarHBondContact O-N 3.17Å; W1686-V1688 VanDerWaalsContact C-N 3.34Å; W1686-V1688 PolarHBondContact O-N 3.22Å; V1688-H1691 PolarHBondContact O-N 3.12Å; V1688-F1692 HydrophobicContact CG1-CD2 3.91Å; V1688-F1692 HydrophobicContact CG1-CE2 3.86Å; V1688-F1692 VanDerWaalsContact O-CD2 3.29Å; V1688-F1692 WeakPolarHBondContact O-CD2 3.44Å; V1688-F1692 PolarHBondContact O-N 3.07Å; V1688-F1692 VanDerWaalsContact O-N 3.11Å |
| 1689 | A | 90 | Very high | 81.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67 | -42.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1685 W1686 E1687 L1693 L1709 L1710 | I1685-A1689 WeakPolarHBondContact O-CB 3.38Å; I1685-A1689 PolarHBondContact O-N 3.2Å; I1685-A1689 VanDerWaalsContact O-N 3.16Å; W1686-A1689 PolarHBondContact O-N 3.18Å; E1687-A1689 VanDerWaalsContact C-N 3.32Å; E1687-A1689 PolarHBondContact O-N 3.25Å; A1689-L1693 WeakPolarHBondContact O-CB 3.41Å; A1689-L1693 PolarHBondContact O-N 3.29Å; A1689-L1693 VanDerWaalsContact O-N 3.12Å; A1689-L1709 HydrophobicContact CB-CB 4.43Å; A1689-L1709 HydrophobicContact CB-CD2 3.69Å; A1689-L1709 HydrophobicContact CB-CG 4.01Å; A1689-L1710 HydrophobicContact CB-CD1 4.26Å; A1689-L1710 HydrophobicContact CB-CD2 3.7Å; A1689-L1710 HydrophobicContact CB-CG 3.63Å |
| 1690 | F | 89.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 173.7 | -81 | -63.9 | 0 | 0 | 0 | 112.3 | W1686 E1687 F1692 L1693 M1694 L1710 L1862 L1865 L1866 F1871 | W1686-F1690 HydrophobicContact CE3-CE2 4.2Å; W1686-F1690 VanDerWaalsContact O-CD2 3.27Å; W1686-F1690 WeakPolarHBondContact O-CD2 3.37Å; W1686-F1690 PolarHBondContact O-N 3.2Å; E1687-F1690 PolarHBondContact O-N 3.14Å; F1690-F1692 PolarHBondContact O-N 3.33Å; F1690-L1693 PolarHBondContact O-N 3.29Å; F1690-M1694 HydrophobicContact CB-CE 4.15Å; F1690-M1694 VanDerWaalsContact O-CB 3.27Å; F1690-M1694 WeakPolarHBondContact O-CB 3.29Å; F1690-M1694 WeakPolarHBondContact O-CG 3.3Å; F1690-M1694 PolarHBondContact O-N 3.22Å; F1690-L1710 HydrophobicContact CD1-CD1 3.9Å; F1690-L1710 HydrophobicContact CD1-CD2 4.47Å; F1690-L1710 HydrophobicContact CD2-CD2 4.07Å; F1690-L1710 HydrophobicContact CE1-CD1 3.9Å; F1690-L1710 HydrophobicContact CE1-CD2 4.37Å; F1690-L1710 HydrophobicContact CE2-CD2 3.85Å; F1690-L1710 HydrophobicContact CG-CD1 4.32Å; F1690-L1710 HydrophobicContact CG-CD2 4.43Å; F1690-L1710 HydrophobicContact CZ-CD1 4.33Å; F1690-L1710 HydrophobicContact CZ-CD2 4.02Å; F1690-L1862 HydrophobicContact CE2-CD1 4.38Å; F1690-L1862 HydrophobicContact CZ-CD1 4.33Å; F1690-L1865 HydrophobicContact CE2-CB 4.38Å; F1690-L1865 HydrophobicContact CE2-CD1 4.4Å; F1690-L1866 HydrophobicContact CE1-CD2 3.96Å; F1690-L1866 HydrophobicContact CZ-CD2 3.95Å; F1690-F1871 HydrophobicContact CE1-CD2 4.33Å; F1690-F1871 HydrophobicContact CE1-CE2 4.46Å |
| 1691 | H | 88.6 | Confident | 83.6 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.5 | -53.1 | 177.1 | 177.4 | 98 | 0 | 0 | 0 | 111.3 | S1676 F1677 E1687 V1688 L1693 M1694 D1695 | S1676-H1691 PolarHBondContact OG-CE1 2.92Å; S1676-H1691 VanDerWaalsContact OG-CE1 3.27Å; F1677-H1691 HydrophobicContact CD1-CB 4.38Å; F1677-H1691 HydrophobicContact CE1-CB 3.9Å; F1677-H1691 AromaticContact CE1-CD2 3.17Å; F1677-H1691 WeakPolarHBondContact CE1-CD2 3.36Å; F1677-H1691 AromaticContact CE1-CG 3.5Å; F1677-H1691 VanDerWaalsContact CE1-CG 3.47Å; F1677-H1691 AromaticContact CE1-NE2 3.74Å; F1677-H1691 AromaticContact CZ-CD2 3.37Å; F1677-H1691 VanDerWaalsContact CZ-CD2 3.44Å; F1677-H1691 WeakPolarHBondContact CZ-CD2 3.24Å; F1677-H1691 AromaticContact CZ-NE2 3.61Å; E1687-H1691 VanDerWaalsContact O-CB 3.27Å; E1687-H1691 WeakPolarHBondContact O-CB 3.35Å; E1687-H1691 PolarHBondContact O-N 3.12Å; V1688-H1691 PolarHBondContact O-N 3.12Å; H1691-L1693 VanDerWaalsContact C-N 3.32Å; H1691-L1693 PolarHBondContact O-N 3.13Å; H1691-M1694 PolarHBondContact O-N 3.09Å; H1691-D1695 WeakPolarHBondContact O-CB 3.33Å; H1691-D1695 PolarHBondContact O-N 3.27Å; H1691-D1695 VanDerWaalsContact O-N 3.07Å |
| 1692 | F | 89.9 | Confident | 84.7 | Confident | 2.4 Ų | 2.4 | 25.7 Ų | 25.7 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -35.9 | 179.3 | -80.7 | -65.4 | 0 | 0 | 0 | 113.1 | L1631 L1643 F1677 V1688 F1690 M1694 E1698 V1702 R1703 A1706 | L1631-F1692 HydrophobicContact CB-CE2 4.18Å; L1631-F1692 HydrophobicContact CB-CZ 4.15Å; L1631-F1692 HydrophobicContact CD2-CE2 4.07Å; L1631-F1692 HydrophobicContact CD2-CZ 4.42Å; L1631-F1692 HydrophobicContact CG-CE2 4.44Å; L1631-F1692 VanDerWaalsContact O-CZ 3.3Å; L1631-F1692 WeakPolarHBondContact O-CZ 3.41Å; L1643-F1692 HydrophobicContact CD1-CB 4.24Å; L1643-F1692 HydrophobicContact CD1-CD1 4.4Å; L1643-F1692 HydrophobicContact CD1-CD2 4.09Å; L1643-F1692 HydrophobicContact CD1-CG 4Å; L1643-F1692 HydrophobicContact CD2-CD2 3.93Å; L1643-F1692 HydrophobicContact CD2-CE2 4.35Å; L1643-F1692 HydrophobicContact CG-CD2 4.47Å; F1677-F1692 HydrophobicContact CE1-CD2 4.33Å; F1677-F1692 AromaticContact CE1-CE2 3.88Å; F1677-F1692 HydrophobicContact CE1-CE2 3.88Å; F1677-F1692 HydrophobicContact CE1-CZ 4.24Å; F1677-F1692 HydrophobicContact CE2-CE2 4.32Å; F1677-F1692 AromaticContact CE2-CZ 3.99Å; F1677-F1692 HydrophobicContact CE2-CZ 4.05Å; F1677-F1692 HydrophobicContact CZ-CD2 4.27Å; F1677-F1692 AromaticContact CZ-CE1 3.89Å; F1677-F1692 HydrophobicContact CZ-CE1 4.1Å; F1677-F1692 AromaticContact CZ-CE2 3.53Å; F1677-F1692 HydrophobicContact CZ-CE2 3.53Å; F1677-F1692 VanDerWaalsContact CZ-CE2 3.46Å; F1677-F1692 AromaticContact CZ-CZ 3.42Å; F1677-F1692 HydrophobicContact CZ-CZ 3.42Å; F1677-F1692 VanDerWaalsContact CZ-CZ 3.44Å; V1688-F1692 HydrophobicContact CG1-CD2 3.91Å; V1688-F1692 HydrophobicContact CG1-CE2 3.86Å; V1688-F1692 VanDerWaalsContact O-CD2 3.29Å; V1688-F1692 WeakPolarHBondContact O-CD2 3.44Å; V1688-F1692 PolarHBondContact O-N 3.07Å; V1688-F1692 VanDerWaalsContact O-N 3.11Å; F1690-F1692 PolarHBondContact O-N 3.33Å; F1692-M1694 VanDerWaalsContact C-N 3.33Å; F1692-M1694 PolarHBondContact O-N 2.9Å; F1692-E1698 HydrophobicContact CD1-CG 4.28Å; F1692-V1702 HydrophobicContact CB-CG1 4.35Å; F1692-V1702 HydrophobicContact CD1-CG1 3.66Å; F1692-V1702 HydrophobicContact CE1-CG1 4.32Å; F1692-V1702 HydrophobicContact CG-CG1 4.23Å; F1692-R1703 WeakPolarHBondContact O-CG 3.39Å; F1692-A1706 HydrophobicContact CB-CB 3.66Å |
| 1693 | L | 89.9 | Confident | 85.9 | Confident | 0.2 Ų | 0.2 | 25.4 Ų | 25.4 | 0% | 0.001 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.1 | 176.4 | 54 | 0 | 0 | 0 | 111.9 | A1689 F1690 H1691 R1703 A1706 T1707 L1710 F1871 Y1874 V1979 L1982 | A1689-L1693 WeakPolarHBondContact O-CB 3.41Å; A1689-L1693 PolarHBondContact O-N 3.29Å; A1689-L1693 VanDerWaalsContact O-N 3.12Å; F1690-L1693 PolarHBondContact O-N 3.29Å; H1691-L1693 VanDerWaalsContact C-N 3.32Å; H1691-L1693 PolarHBondContact O-N 3.13Å; L1693-R1703 HydrophobicContact CD1-CB 4.34Å; L1693-R1703 VanDerWaalsContact O-CD 3.3Å; L1693-R1703 WeakPolarHBondContact O-CD 3.33Å; L1693-A1706 HydrophobicContact CB-CB 4.43Å; L1693-T1707 VanDerWaalsContact CD1-OG1 3.23Å; L1693-T1707 WeakPolarHBondContact CD1-OG1 3.36Å; L1693-L1710 HydrophobicContact CD2-CD1 3.75Å; L1693-F1871 HydrophobicContact CD2-CE2 4.03Å; L1693-Y1874 HydrophobicContact CD1-CE1 4.32Å; L1693-Y1874 HydrophobicContact CG-CE1 4.3Å; L1693-Y1874 VanDerWaalsContact O-CZ 3.28Å; L1693-Y1874 PolarHBondContact O-OH 3.22Å; L1693-V1979 HydrophobicContact CD1-CG2 4.08Å; L1693-L1982 HydrophobicContact CD2-CD2 4.15Å |
| 1694 | M | 86.6 | Confident | 86.7 | Confident | 38.8 Ų | 38.8 | 26.3 Ų | 26.3 | 19% | 0.191 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -88.7 | -16 | -170.6 | -61.6 | -83.2 | -62.4 | 0 | 0 | 113.4 | F1690 H1691 F1692 S1696 K1869 F1871 Y1874 | F1690-M1694 HydrophobicContact CB-CE 4.15Å; F1690-M1694 VanDerWaalsContact O-CB 3.27Å; F1690-M1694 WeakPolarHBondContact O-CB 3.29Å; F1690-M1694 WeakPolarHBondContact O-CG 3.3Å; F1690-M1694 PolarHBondContact O-N 3.22Å; H1691-M1694 PolarHBondContact O-N 3.09Å; F1692-M1694 VanDerWaalsContact C-N 3.33Å; F1692-M1694 PolarHBondContact O-N 2.9Å; M1694-S1696 PolarHBondContact O-N 2.99Å; M1694-S1696 VanDerWaalsContact O-N 3.11Å; M1694-K1869 HydrophobicContact CE-CB 3.53Å; M1694-K1869 HydrophobicContact CE-CD 3.61Å; M1694-K1869 HydrophobicContact CE-CG 3.7Å; M1694-K1869 WeakPolarHBondContact CE-O 3.44Å; M1694-K1869 HydrophobicContact SD-CB 3.68Å; M1694-K1869 HydrophobicContact SD-CG 4.45Å; M1694-F1871 HydrophobicContact SD-CD2 3.97Å; M1694-Y1874 HydrophobicContact CB-CD2 4.48Å; M1694-Y1874 HydrophobicContact CB-CE2 4.48Å; M1694-Y1874 HydrophobicContact CE-CD1 4.02Å; M1694-Y1874 HydrophobicContact CE-CD2 4.07Å; M1694-Y1874 HydrophobicContact CE-CG 3.53Å; M1694-Y1874 VanDerWaalsContact CE-CG 3.49Å; M1694-Y1874 HydrophobicContact CG-CD2 4.45Å; M1694-Y1874 HydrophobicContact CG-CG 4.44Å; M1694-Y1874 HydrophobicContact SD-CD1 3.3Å; M1694-Y1874 WeakPolarHBondContact SD-CD1 3.37Å; M1694-Y1874 HydrophobicContact SD-CD2 4.09Å; M1694-Y1874 HydrophobicContact SD-CE1 3.82Å; M1694-Y1874 HydrophobicContact SD-CE2 4.41Å; M1694-Y1874 HydrophobicContact SD-CG 3.44Å |
| 1695 | D | 85.1 | Confident | 87.3 | Confident | 42.6 Ų | 42.6 | 27.3 Ų | 27.3 | 23% | 0.228 | 15% | 0.148 | C | C | . | . | trans | -68.5 | 108.6 | 178.7 | -175.2 | -5.8 | 0 | 0 | 0 | 111.6 | H1691 S1697 E1698 R1703 | H1691-D1695 WeakPolarHBondContact O-CB 3.33Å; H1691-D1695 PolarHBondContact O-N 3.27Å; H1691-D1695 VanDerWaalsContact O-N 3.07Å; D1695-S1697 PolarHBondContact O-N 3.12Å; D1695-S1697 WeakPolarHBondContact OD1-CA 3.45Å; D1695-S1697 VanDerWaalsContact OD1-CB 3.31Å; D1695-S1697 WeakPolarHBondContact OD1-CB 3.34Å; D1695-S1697 PolarHBondContact OD1-N 3.16Å; D1695-S1697 PolarHBondContact OD1-OG 3.16Å; D1695-S1697 PolarHBondContact OD2-OG 3.06Å; D1695-S1697 VanDerWaalsContact OD2-OG 3.07Å; D1695-E1698 HydrophobicContact CB-CB 4.36Å; D1695-E1698 HydrophobicContact CB-CG 3.72Å; D1695-E1698 WeakPolarHBondContact O-CB 3.34Å; D1695-E1698 PolarHBondContact O-N 3.07Å; D1695-E1698 VanDerWaalsContact O-N 3.13Å; D1695-E1698 WeakPolarHBondContact OD2-CG 3.2Å; D1695-R1703 PolarHBondContact O-NE 3.29Å; D1695-R1703 PolarHBondContact O-NH2 3.19Å | ||
| 1696 | S | 79.4 | Confident | 87.7 | Confident | 62.6 Ų | 62.6 | 27.2 Ų | 27.2 | 44% | 0.438 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.7 | 178.7 | 67 | 0 | 0 | 0 | 0 | 114.5 | M1694 E1698 R1703 | M1694-S1696 PolarHBondContact O-N 2.99Å; M1694-S1696 VanDerWaalsContact O-N 3.11Å; S1696-E1698 VanDerWaalsContact C-N 3.34Å; S1696-R1703 VanDerWaalsContact CA-NH2 3.28Å; S1696-R1703 PolarHBondContact O-NH2 3.39Å |
| 1697 | S | 81.7 | Confident | 88 | Confident | 85.6 Ų | 85.6 | 27.2 Ų | 27.2 | 60% | 0.599 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -16.7 | 176.6 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | D1695 | D1695-S1697 PolarHBondContact O-N 3.12Å; D1695-S1697 WeakPolarHBondContact OD1-CA 3.45Å; D1695-S1697 VanDerWaalsContact OD1-CB 3.31Å; D1695-S1697 WeakPolarHBondContact OD1-CB 3.34Å; D1695-S1697 PolarHBondContact OD1-N 3.16Å; D1695-S1697 PolarHBondContact OD1-OG 3.16Å; D1695-S1697 PolarHBondContact OD2-OG 3.06Å; D1695-S1697 VanDerWaalsContact OD2-OG 3.07Å |
| 1698 | E | 86.3 | Confident | 88.3 | Confident | 21.8 Ų | 21.8 | 27.6 Ų | 27.6 | 10% | 0.102 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -76.2 | 153.7 | -177.8 | -72.7 | -61.7 | 166.5 | 0 | 0 | 114.1 | R1639 F1692 D1695 S1696 V1702 R1703 | R1639-E1698 IonicContact CZ-OE1 3.18Å; R1639-E1698 VanDerWaalsContact CZ-OE1 3.28Å; R1639-E1698 IonicContact CZ-OE2 3.33Å; R1639-E1698 VanDerWaalsContact NH1-CD 3.29Å; R1639-E1698 IonicContact NH1-OE1 3.34Å; R1639-E1698 PolarHBondContact NH1-OE1 3.16Å; R1639-E1698 IonicContact NH1-OE2 3.23Å; R1639-E1698 PolarHBondContact NH1-OE2 3.23Å; R1639-E1698 VanDerWaalsContact NH2-CD 3.28Å; R1639-E1698 IonicContact NH2-OE1 2.84Å; R1639-E1698 PolarHBondContact NH2-OE1 3.14Å; R1639-E1698 IonicContact NH2-OE2 3.14Å; R1639-E1698 PolarHBondContact NH2-OE2 3.11Å; F1692-E1698 HydrophobicContact CD1-CG 4.28Å; D1695-E1698 HydrophobicContact CB-CB 4.36Å; D1695-E1698 HydrophobicContact CB-CG 3.72Å; D1695-E1698 WeakPolarHBondContact O-CB 3.34Å; D1695-E1698 PolarHBondContact O-N 3.07Å; D1695-E1698 VanDerWaalsContact O-N 3.13Å; D1695-E1698 WeakPolarHBondContact OD2-CG 3.2Å; S1696-E1698 VanDerWaalsContact C-N 3.34Å; E1698-V1702 HydrophobicContact CB-CG1 4.47Å; E1698-V1702 HydrophobicContact CG-CG1 4.46Å; E1698-R1703 HydrophobicContact CB-CG 4.21Å; E1698-R1703 PolarHBondContact O-NE 3.26Å; E1698-R1703 PolarHBondContact O-NH2 3.09Å |
| 1699 | S | 86.7 | Confident | 88.6 | Confident | 30.2 Ų | 30.2 | 27.4 Ų | 27.4 | 21% | 0.211 | 15% | 0.148 | C | C | . | . | trans | -68.6 | 150.1 | 174.8 | 80.6 | 0 | 0 | 0 | 0 | 111.6 | I1636 W1701 V1702 R1703 | I1636-S1699 WeakPolarHBondContact CG2-OG 3.3Å; S1699-W1701 PolarHBondContact O-N 3.22Å; S1699-W1701 VanDerWaalsContact O-N 3.11Å; S1699-W1701 PolarHBondContact OG-N 3.11Å; S1699-V1702 PolarHBondContact O-N 3.15Å; S1699-V1702 VanDerWaalsContact OG-CG2 3.3Å; S1699-V1702 WeakPolarHBondContact OG-CG2 3.37Å; S1699-V1702 PolarHBondContact OG-N 2.97Å; S1699-R1703 WeakPolarHBondContact O-CG 3.34Å; S1699-R1703 PolarHBondContact O-N 3.25Å; S1699-R1703 VanDerWaalsContact O-N 3.13Å | ||
| 1700 | C | 85.8 | Confident | 88.7 | Confident | 24.4 Ų | 24.4 | 27.4 Ų | 27.4 | 17% | 0.165 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.1 | -33.6 | 173.3 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | R1703 I1704 I1970 T1972 L1975 | C1700-R1703 PolarHBondContact O-N 3.22Å; C1700-I1704 WeakPolarHBondContact O-CB 3.35Å; C1700-I1704 WeakPolarHBondContact O-CD1 3.39Å; C1700-I1704 WeakPolarHBondContact O-CG1 3.36Å; C1700-I1704 PolarHBondContact O-N 3.13Å; C1700-I1970 PolarHBondContact SG-O 3.09Å; C1700-T1972 HydrophobicContact CB-CG2 4.21Å; C1700-L1975 HydrophobicContact CB-CB 4.46Å; C1700-L1975 HydrophobicContact CB-CD2 4.42Å |
| 1701 | W | 86 | Confident | 88.8 | Confident | 108.2 Ų | 108.2 | 28 Ų | 28 | 41% | 0.41 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.2 | -43.4 | -178.1 | -170.6 | 28.8 | 0 | 0 | 0 | 112.7 | E1637 A1640 L1641 S1699 R1703 I1704 M1705 | E1637-W1701 HydrophobicContact CB-CH2 4.47Å; E1637-W1701 HydrophobicContact CB-CZ3 3.99Å; E1637-W1701 HydrophobicContact CG-CE3 4.45Å; E1637-W1701 HydrophobicContact CG-CH2 4.37Å; E1637-W1701 HydrophobicContact CG-CZ3 3.83Å; A1640-W1701 HydrophobicContact CB-CD2 3.63Å; A1640-W1701 HydrophobicContact CB-CE3 3.73Å; A1640-W1701 HydrophobicContact CB-CG 4.11Å; A1640-W1701 HydrophobicContact CB-CH2 4.22Å; A1640-W1701 HydrophobicContact CB-CZ2 4.22Å; A1640-W1701 HydrophobicContact CB-CZ3 3.96Å; L1641-W1701 HydrophobicContact CG-CH2 4.42Å; S1699-W1701 PolarHBondContact O-N 3.22Å; S1699-W1701 VanDerWaalsContact O-N 3.11Å; S1699-W1701 PolarHBondContact OG-N 3.11Å; W1701-R1703 VanDerWaalsContact C-N 3.33Å; W1701-R1703 PolarHBondContact O-N 3.24Å; W1701-I1704 WeakPolarHBondContact O-CB 3.39Å; W1701-I1704 PolarHBondContact O-N 3.15Å; W1701-M1705 VanDerWaalsContact NE1-CE 3.29Å; W1701-M1705 WeakPolarHBondContact O-CG 3.39Å; W1701-M1705 PolarHBondContact O-N 3.17Å; W1701-M1705 VanDerWaalsContact O-N 3.1Å |
| 1702 | V | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | I1636 R1639 A1640 L1643 F1692 E1698 S1699 I1704 M1705 A1706 | I1636-V1702 HydrophobicContact CG2-CG2 3.8Å; R1639-V1702 HydrophobicContact CB-CG2 4.26Å; A1640-V1702 HydrophobicContact CB-CG2 4Å; L1643-V1702 HydrophobicContact CD1-CG1 3.63Å; L1643-V1702 WeakPolarHBondContact CD1-O 3.47Å; F1692-V1702 HydrophobicContact CB-CG1 4.35Å; F1692-V1702 HydrophobicContact CD1-CG1 3.66Å; F1692-V1702 HydrophobicContact CE1-CG1 4.32Å; F1692-V1702 HydrophobicContact CG-CG1 4.23Å; E1698-V1702 HydrophobicContact CB-CG1 4.47Å; E1698-V1702 HydrophobicContact CG-CG1 4.46Å; S1699-V1702 PolarHBondContact O-N 3.15Å; S1699-V1702 VanDerWaalsContact OG-CG2 3.3Å; S1699-V1702 WeakPolarHBondContact OG-CG2 3.37Å; S1699-V1702 PolarHBondContact OG-N 2.97Å; V1702-I1704 PolarHBondContact O-N 3.24Å; V1702-M1705 PolarHBondContact O-N 3.16Å; V1702-A1706 PolarHBondContact O-N 3.05Å |
| 1703 | R | 91.8 | Very high | 88.7 | Confident | 4.6 Ų | 4.6 | 26.7 Ų | 26.7 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 176.9 | -65.2 | -172.5 | -165.7 | 164 | 24.5 | 113.1 | F1692 L1693 D1695 S1696 E1698 S1699 C1700 W1701 M1705 A1706 T1707 Y1874 C1969 L1975 | F1692-R1703 WeakPolarHBondContact O-CG 3.39Å; L1693-R1703 HydrophobicContact CD1-CB 4.34Å; L1693-R1703 VanDerWaalsContact O-CD 3.3Å; L1693-R1703 WeakPolarHBondContact O-CD 3.33Å; D1695-R1703 PolarHBondContact O-NE 3.29Å; D1695-R1703 PolarHBondContact O-NH2 3.19Å; S1696-R1703 VanDerWaalsContact CA-NH2 3.28Å; S1696-R1703 PolarHBondContact O-NH2 3.39Å; E1698-R1703 HydrophobicContact CB-CG 4.21Å; E1698-R1703 PolarHBondContact O-NE 3.26Å; E1698-R1703 PolarHBondContact O-NH2 3.09Å; S1699-R1703 WeakPolarHBondContact O-CG 3.34Å; S1699-R1703 PolarHBondContact O-N 3.25Å; S1699-R1703 VanDerWaalsContact O-N 3.13Å; C1700-R1703 PolarHBondContact O-N 3.22Å; W1701-R1703 VanDerWaalsContact C-N 3.33Å; W1701-R1703 PolarHBondContact O-N 3.24Å; R1703-M1705 VanDerWaalsContact C-N 3.31Å; R1703-M1705 PolarHBondContact O-N 3.2Å; R1703-A1706 PolarHBondContact O-N 3.09Å; R1703-T1707 WeakPolarHBondContact O-CB 3.37Å; R1703-T1707 PolarHBondContact O-N 3.06Å; R1703-T1707 PolarHBondContact O-OG1 3.1Å; R1703-Y1874 PolarHBondContact NH1-OH 3.4Å; R1703-C1969 PolarHBondContact NH1-SG 3.14Å; R1703-L1975 HydrophobicContact CB-CD1 3.62Å; R1703-L1975 HydrophobicContact CB-CD2 4.4Å |
| 1704 | I | 90.8 | Very high | 88.5 | Confident | 18.8 Ų | 18.8 | 26.8 Ų | 26.8 | 10% | 0.096 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.3 | -74.4 | 161 | 0 | 0 | 0 | 109.9 | C1700 W1701 V1702 T1707 Q1708 S1974 L1975 T1978 | C1700-I1704 WeakPolarHBondContact O-CB 3.35Å; C1700-I1704 WeakPolarHBondContact O-CD1 3.39Å; C1700-I1704 WeakPolarHBondContact O-CG1 3.36Å; C1700-I1704 PolarHBondContact O-N 3.13Å; W1701-I1704 WeakPolarHBondContact O-CB 3.39Å; W1701-I1704 PolarHBondContact O-N 3.15Å; V1702-I1704 PolarHBondContact O-N 3.24Å; I1704-T1707 WeakPolarHBondContact O-CB 3.38Å; I1704-T1707 PolarHBondContact O-N 3.39Å; I1704-Q1708 WeakPolarHBondContact O-CG 3.36Å; I1704-Q1708 PolarHBondContact O-N 3.1Å; I1704-S1974 VanDerWaalsContact CD1-OG 3.28Å; I1704-S1974 WeakPolarHBondContact CD1-OG 3.37Å; I1704-L1975 HydrophobicContact CD1-CB 4.26Å; I1704-L1975 HydrophobicContact CG1-CB 3.95Å; I1704-L1975 HydrophobicContact CG1-CD1 3.92Å; I1704-T1978 HydrophobicContact CG2-CG2 4.13Å |
| 1705 | M | 93.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 28.4 Ų | 28.4 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | -179.4 | -63.8 | -61.5 | 144.6 | 0 | 0 | 112.3 | A1640 L1643 S1644 W1701 V1702 R1703 T1707 Q1708 L1709 | A1640-M1705 HydrophobicContact CB-CG 4.35Å; A1640-M1705 WeakPolarHBondContact O-CG 3.34Å; L1643-M1705 HydrophobicContact CB-CB 3.65Å; L1643-M1705 HydrophobicContact CD1-CB 4.46Å; S1644-M1705 VanDerWaalsContact CB-SD 3.6Å; S1644-M1705 PolarHBondContact OG-SD 3.14Å; W1701-M1705 VanDerWaalsContact NE1-CE 3.29Å; W1701-M1705 WeakPolarHBondContact O-CG 3.39Å; W1701-M1705 PolarHBondContact O-N 3.17Å; W1701-M1705 VanDerWaalsContact O-N 3.1Å; V1702-M1705 PolarHBondContact O-N 3.16Å; R1703-M1705 VanDerWaalsContact C-N 3.31Å; R1703-M1705 PolarHBondContact O-N 3.2Å; M1705-T1707 VanDerWaalsContact C-N 3.32Å; M1705-T1707 PolarHBondContact O-N 3.37Å; M1705-Q1708 PolarHBondContact O-N 3.3Å; M1705-Q1708 PolarHBondContact SD-OE1 3.2Å; M1705-L1709 PolarHBondContact O-N 2.87Å |
| 1706 | A | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1643 F1692 L1693 V1702 R1703 L1709 L1710 | L1643-A1706 HydrophobicContact CD1-CB 4.17Å; F1692-A1706 HydrophobicContact CB-CB 3.66Å; L1693-A1706 HydrophobicContact CB-CB 4.43Å; V1702-A1706 PolarHBondContact O-N 3.05Å; R1703-A1706 PolarHBondContact O-N 3.09Å; A1706-L1709 WeakPolarHBondContact O-CB 3.28Å; A1706-L1709 PolarHBondContact O-N 3.21Å; A1706-L1710 PolarHBondContact O-N 3.06Å; A1706-L1710 VanDerWaalsContact O-N 3.1Å |
| 1707 | T | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 174.8 | -50.9 | 0 | 0 | 0 | 0 | 111.2 | L1693 R1703 I1704 M1705 L1709 L1710 I1711 T1978 V1979 L1982 | L1693-T1707 VanDerWaalsContact CD1-OG1 3.23Å; L1693-T1707 WeakPolarHBondContact CD1-OG1 3.36Å; R1703-T1707 WeakPolarHBondContact O-CB 3.37Å; R1703-T1707 PolarHBondContact O-N 3.06Å; R1703-T1707 PolarHBondContact O-OG1 3.1Å; I1704-T1707 WeakPolarHBondContact O-CB 3.38Å; I1704-T1707 PolarHBondContact O-N 3.39Å; M1705-T1707 VanDerWaalsContact C-N 3.32Å; M1705-T1707 PolarHBondContact O-N 3.37Å; T1707-L1709 VanDerWaalsContact C-N 3.28Å; T1707-L1709 PolarHBondContact O-N 3.11Å; T1707-L1710 CarbonylContact O-C 3.39Å; T1707-L1710 WeakPolarHBondContact O-CB 3.44Å; T1707-L1710 PolarHBondContact O-N 3.17Å; T1707-L1710 VanDerWaalsContact O-N 3.14Å; T1707-I1711 HydrophobicContact CG2-CD1 4.07Å; T1707-I1711 HydrophobicContact CG2-CG1 4.47Å; T1707-I1711 VanDerWaalsContact O-CG1 3.28Å; T1707-I1711 WeakPolarHBondContact O-CG1 3.4Å; T1707-I1711 PolarHBondContact O-N 3.03Å; T1707-T1978 VanDerWaalsContact CG2-C 3.49Å; T1707-T1978 WeakPolarHBondContact CG2-O 3.41Å; T1707-V1979 HydrophobicContact CG2-CG2 4.08Å; T1707-L1982 HydrophobicContact CG2-CB 3.89Å; T1707-L1982 HydrophobicContact CG2-CD2 4.11Å |
| 1708 | Q | 91.3 | Very high | 87.3 | Confident | 55.4 Ų | 55.4 | 25.6 Ų | 25.6 | 26% | 0.259 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.7 | -36.5 | 175.2 | -88.4 | 164.4 | 6.8 | 0 | 0 | 112.2 | S1647 I1704 M1705 I1711 N1712 T1978 | S1647-Q1708 VanDerWaalsContact OG-C 3.27Å; S1647-Q1708 PolarHBondContact OG-O 3.29Å; I1704-Q1708 WeakPolarHBondContact O-CG 3.36Å; I1704-Q1708 PolarHBondContact O-N 3.1Å; M1705-Q1708 PolarHBondContact O-N 3.3Å; M1705-Q1708 PolarHBondContact SD-OE1 3.2Å; Q1708-I1711 PolarHBondContact O-N 2.94Å; Q1708-N1712 PolarHBondContact NE2-OD1 3.45Å; Q1708-N1712 VanDerWaalsContact O-CG 3.31Å; Q1708-N1712 PolarHBondContact O-N 3.24Å; Q1708-N1712 VanDerWaalsContact O-N 3.1Å; Q1708-N1712 PolarHBondContact O-ND2 3.09Å; Q1708-T1978 HydrophobicContact CG-CG2 4.46Å |
| 1709 | L | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 171.2 | 174.2 | 60.9 | 0 | 0 | 0 | 111.1 | L1643 L1646 S1647 C1650 I1685 A1689 M1705 A1706 T1707 I1711 N1712 L1713 | L1643-L1709 HydrophobicContact CD2-CD2 4.23Å; L1646-L1709 HydrophobicContact CB-CD1 4.24Å; L1646-L1709 HydrophobicContact CB-CD2 4.31Å; S1647-L1709 PolarHBondContact OG-N 2.81Å; C1650-L1709 HydrophobicContact CB-CD1 4.4Å; C1650-L1709 WeakPolarHBondContact SG-CD1 3.3Å; I1685-L1709 HydrophobicContact CD1-CD1 4.27Å; I1685-L1709 HydrophobicContact CG1-CD1 4.36Å; I1685-L1709 HydrophobicContact CG1-CD2 4.33Å; A1689-L1709 HydrophobicContact CB-CB 4.43Å; A1689-L1709 HydrophobicContact CB-CD2 3.69Å; A1689-L1709 HydrophobicContact CB-CG 4.01Å; M1705-L1709 PolarHBondContact O-N 2.87Å; A1706-L1709 WeakPolarHBondContact O-CB 3.28Å; A1706-L1709 PolarHBondContact O-N 3.21Å; T1707-L1709 VanDerWaalsContact C-N 3.28Å; T1707-L1709 PolarHBondContact O-N 3.11Å; L1709-I1711 PolarHBondContact O-N 3.25Å; L1709-N1712 PolarHBondContact O-N 2.99Å; L1709-L1713 HydrophobicContact CD1-CD1 4.1Å; L1709-L1713 HydrophobicContact CD1-CG 4.24Å; L1709-L1713 HydrophobicContact CG-CD1 4.07Å; L1709-L1713 WeakPolarHBondContact O-CB 3.31Å; L1709-L1713 VanDerWaalsContact O-CG 3.31Å; L1709-L1713 WeakPolarHBondContact O-CG 3.31Å; L1709-L1713 PolarHBondContact O-N 3.05Å |
| 1710 | L | 91.8 | Very high | 85.5 | Confident | 0.6 Ų | 0.6 | 28.1 Ų | 28.1 | 0% | 0.003 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | 175.9 | -71.6 | 168.6 | 0 | 0 | 0 | 113.1 | W1686 A1689 F1690 L1693 A1706 T1707 N1712 L1713 T1714 L1982 | W1686-L1710 HydrophobicContact CE3-CD2 3.75Å; W1686-L1710 HydrophobicContact CZ3-CD2 4.13Å; A1689-L1710 HydrophobicContact CB-CD1 4.26Å; A1689-L1710 HydrophobicContact CB-CD2 3.7Å; A1689-L1710 HydrophobicContact CB-CG 3.63Å; F1690-L1710 HydrophobicContact CD1-CD1 3.9Å; F1690-L1710 HydrophobicContact CD1-CD2 4.47Å; F1690-L1710 HydrophobicContact CD2-CD2 4.07Å; F1690-L1710 HydrophobicContact CE1-CD1 3.9Å; F1690-L1710 HydrophobicContact CE1-CD2 4.37Å; F1690-L1710 HydrophobicContact CE2-CD2 3.85Å; F1690-L1710 HydrophobicContact CG-CD1 4.32Å; F1690-L1710 HydrophobicContact CG-CD2 4.43Å; F1690-L1710 HydrophobicContact CZ-CD1 4.33Å; F1690-L1710 HydrophobicContact CZ-CD2 4.02Å; L1693-L1710 HydrophobicContact CD2-CD1 3.75Å; A1706-L1710 PolarHBondContact O-N 3.06Å; A1706-L1710 VanDerWaalsContact O-N 3.1Å; T1707-L1710 CarbonylContact O-C 3.39Å; T1707-L1710 WeakPolarHBondContact O-CB 3.44Å; T1707-L1710 PolarHBondContact O-N 3.17Å; T1707-L1710 VanDerWaalsContact O-N 3.14Å; L1710-N1712 VanDerWaalsContact C-N 3.34Å; L1710-N1712 PolarHBondContact O-N 3.22Å; L1710-L1713 PolarHBondContact O-N 3.02Å; L1710-T1714 WeakPolarHBondContact O-CB 3.3Å; L1710-T1714 VanDerWaalsContact O-CG2 3.31Å; L1710-T1714 WeakPolarHBondContact O-CG2 3.37Å; L1710-T1714 PolarHBondContact O-N 3.26Å; L1710-T1714 PolarHBondContact O-OG1 3.1Å; L1710-L1982 HydrophobicContact CB-CD1 3.63Å; L1710-L1982 HydrophobicContact CB-CD2 3.87Å; L1710-L1982 HydrophobicContact CB-CG 4.39Å; L1710-L1982 HydrophobicContact CD1-CD2 3.76Å; L1710-L1982 HydrophobicContact CG-CD2 4.46Å |
| 1711 | I | 91 | Very high | 84.4 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 175 | -72.8 | 160.6 | 0 | 0 | 0 | 110 | T1707 Q1708 L1709 T1714 A1715 T1978 H1981 L1982 N1985 | T1707-I1711 HydrophobicContact CG2-CD1 4.07Å; T1707-I1711 HydrophobicContact CG2-CG1 4.47Å; T1707-I1711 VanDerWaalsContact O-CG1 3.28Å; T1707-I1711 WeakPolarHBondContact O-CG1 3.4Å; T1707-I1711 PolarHBondContact O-N 3.03Å; Q1708-I1711 PolarHBondContact O-N 2.94Å; L1709-I1711 PolarHBondContact O-N 3.25Å; I1711-T1714 WeakPolarHBondContact CA-OG1 3.32Å; I1711-T1714 PolarHBondContact O-N 3.07Å; I1711-T1714 PolarHBondContact O-OG1 3.06Å; I1711-A1715 WeakPolarHBondContact O-CB 3.42Å; I1711-A1715 PolarHBondContact O-N 3.05Å; I1711-T1978 WeakPolarHBondContact CD1-O 3.4Å; I1711-H1981 HydrophobicContact CD1-CB 4.13Å; I1711-H1981 VanDerWaalsContact CG2-CD2 3.47Å; I1711-H1981 WeakPolarHBondContact CG2-CD2 3.33Å; I1711-L1982 HydrophobicContact CG1-CB 3.89Å; I1711-L1982 HydrophobicContact CG1-CD1 4.38Å; I1711-N1985 PolarHBondContact O-ND2 3.08Å |
| 1712 | N | 88.8 | Confident | 83.5 | Confident | 26.6 Ų | 26.6 | 33 Ų | 33 | 14% | 0.142 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.9 | -35.5 | -178.7 | -66.4 | -12.5 | 0 | 0 | 0 | 111.7 | S1647 C1650 L1651 Q1708 L1709 L1710 A1715 L1716 | S1647-N1712 PolarHBondContact O-ND2 3.19Å; S1647-N1712 PolarHBondContact OG-ND2 3.2Å; C1650-N1712 HydrophobicContact CB-CB 4.01Å; L1651-N1712 HydrophobicContact CD2-CB 4.08Å; L1651-N1712 HydrophobicContact CG-CB 4.44Å; Q1708-N1712 PolarHBondContact NE2-OD1 3.45Å; Q1708-N1712 VanDerWaalsContact O-CG 3.31Å; Q1708-N1712 PolarHBondContact O-N 3.24Å; Q1708-N1712 VanDerWaalsContact O-N 3.1Å; Q1708-N1712 PolarHBondContact O-ND2 3.09Å; L1709-N1712 PolarHBondContact O-N 2.99Å; L1710-N1712 VanDerWaalsContact C-N 3.34Å; L1710-N1712 PolarHBondContact O-N 3.22Å; N1712-A1715 WeakPolarHBondContact O-CB 3.45Å; N1712-A1715 PolarHBondContact O-N 3.02Å; N1712-L1716 PolarHBondContact O-N 3.31Å |
| 1713 | L | 87.6 | Confident | 82.7 | Confident | 0.6 Ų | 0.6 | 33.1 Ų | 33.1 | 0% | 0.003 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.7 | -74.5 | 172.3 | 0 | 0 | 0 | 112.3 | C1650 L1656 I1685 W1686 L1709 L1710 A1715 L1716 | C1650-L1713 HydrophobicContact CB-CD2 4.36Å; C1650-L1713 VanDerWaalsContact SG-CD2 3.59Å; L1656-L1713 HydrophobicContact CD1-CD2 4.49Å; L1656-L1713 HydrophobicContact CD2-CD2 4.4Å; I1685-L1713 HydrophobicContact CD1-CD2 4.49Å; I1685-L1713 HydrophobicContact CG1-CD1 4.42Å; I1685-L1713 HydrophobicContact CG2-CD1 4.11Å; I1685-L1713 HydrophobicContact CG2-CD2 4.2Å; W1686-L1713 HydrophobicContact CD2-CB 4.43Å; W1686-L1713 HydrophobicContact CD2-CD1 4.04Å; W1686-L1713 HydrophobicContact CE3-CB 4.42Å; W1686-L1713 HydrophobicContact CE3-CD1 4.34Å; W1686-L1713 HydrophobicContact CG-CD1 4.35Å; W1686-L1713 VanDerWaalsContact CH2-C 3.48Å; W1686-L1713 HydrophobicContact CH2-CB 3.63Å; W1686-L1713 HydrophobicContact CZ2-CB 3.62Å; W1686-L1713 HydrophobicContact CZ2-CD2 4.48Å; W1686-L1713 HydrophobicContact CZ2-CG 4.46Å; W1686-L1713 HydrophobicContact CZ3-CB 4.05Å; L1709-L1713 HydrophobicContact CD1-CD1 4.1Å; L1709-L1713 HydrophobicContact CD1-CG 4.24Å; L1709-L1713 HydrophobicContact CG-CD1 4.07Å; L1709-L1713 WeakPolarHBondContact O-CB 3.31Å; L1709-L1713 VanDerWaalsContact O-CG 3.31Å; L1709-L1713 WeakPolarHBondContact O-CG 3.31Å; L1709-L1713 PolarHBondContact O-N 3.05Å; L1710-L1713 PolarHBondContact O-N 3.02Å; L1713-A1715 VanDerWaalsContact C-N 3.28Å; L1713-A1715 PolarHBondContact O-N 3.11Å; L1713-L1716 HydrophobicContact CD2-CD1 4.26Å; L1713-L1716 WeakPolarHBondContact O-CB 3.38Å; L1713-L1716 PolarHBondContact O-N 3.3Å |
| 1714 | T | 86.3 | Confident | 81.8 | Confident | 2.2 Ų | 2.2 | 33.5 Ų | 33.5 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.7 | -15.6 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | W1686 L1710 I1711 L1716 L1982 N1985 L1986 H1989 | W1686-T1714 HydrophobicContact CH2-CG2 3.77Å; W1686-T1714 HydrophobicContact CZ3-CG2 3.78Å; L1710-T1714 WeakPolarHBondContact O-CB 3.3Å; L1710-T1714 VanDerWaalsContact O-CG2 3.31Å; L1710-T1714 WeakPolarHBondContact O-CG2 3.37Å; L1710-T1714 PolarHBondContact O-N 3.26Å; L1710-T1714 PolarHBondContact O-OG1 3.1Å; I1711-T1714 WeakPolarHBondContact CA-OG1 3.32Å; I1711-T1714 PolarHBondContact O-N 3.07Å; I1711-T1714 PolarHBondContact O-OG1 3.06Å; T1714-L1716 VanDerWaalsContact C-N 3.29Å; T1714-L1982 HydrophobicContact CG2-CD1 4.06Å; T1714-N1985 VanDerWaalsContact OG1-CB 3.3Å; T1714-N1985 WeakPolarHBondContact OG1-CB 3.36Å; T1714-N1985 PolarHBondContact OG1-ND2 3.38Å; T1714-L1986 HydrophobicContact CG2-CD2 4.06Å; T1714-H1989 PolarHBondContact O-NE2 3.04Å |
| 1715 | A | 82.9 | Confident | 81.1 | Confident | 72.2 Ų | 72.2 | 32.7 Ų | 32.7 | 60% | 0.597 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | I1711 N1712 L1713 | I1711-A1715 WeakPolarHBondContact O-CB 3.42Å; I1711-A1715 PolarHBondContact O-N 3.05Å; N1712-A1715 WeakPolarHBondContact O-CB 3.45Å; N1712-A1715 PolarHBondContact O-N 3.02Å; L1713-A1715 VanDerWaalsContact C-N 3.28Å; L1713-A1715 PolarHBondContact O-N 3.11Å |
| 1716 | L | 79.5 | Confident | 80.2 | Confident | 29.8 Ų | 29.8 | 31.7 Ų | 31.7 | 16% | 0.156 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -68.5 | 148.2 | 173.6 | -62.1 | 171.3 | 0 | 0 | 0 | 110.4 | L1656 N1712 L1713 T1714 L1718 I1769 | L1656-L1716 HydrophobicContact CD2-CD1 3.58Å; L1656-L1716 VanDerWaalsContact CD2-CD1 3.43Å; L1656-L1716 HydrophobicContact CD2-CD2 4.49Å; N1712-L1716 PolarHBondContact O-N 3.31Å; L1713-L1716 HydrophobicContact CD2-CD1 4.26Å; L1713-L1716 WeakPolarHBondContact O-CB 3.38Å; L1713-L1716 PolarHBondContact O-N 3.3Å; T1714-L1716 VanDerWaalsContact C-N 3.29Å; L1716-L1718 PolarHBondContact O-N 3.15Å; L1716-L1718 VanDerWaalsContact O-N 3.07Å; L1716-I1769 HydrophobicContact CD2-CD1 4.3Å |
| 1717 | P | 70.8 | Confident | 79.1 | Confident | 87 Ų | 87 | 32.3 Ų | 32.3 | 57% | 0.565 | 17% | 0.174 | S | C | * | . | trans | -65.3 | 108.7 | 179.3 | 25.7 | -32.5 | 0 | 0 | 0 | 110.7 | N1767 I1769 | P1717-N1767 VanDerWaalsContact CG-O 3.23Å; P1717-N1767 WeakPolarHBondContact CG-O 3.36Å; P1717-I1769 HydrophobicContact CG-CD1 4.21Å | ||
| 1718 | L | 74.6 | Confident | 77.8 | Confident | 16.4 Ų | 16.4 | 33.1 Ų | 33.1 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | trans | -99.6 | 91.7 | 174.4 | -65 | 172.1 | 0 | 0 | 0 | 108.9 | W1686 L1716 M1844 P1845 L1859 L1862 | W1686-L1718 HydrophobicContact CH2-CD1 4.35Å; W1686-L1718 HydrophobicContact CZ2-CD2 4.41Å; L1716-L1718 PolarHBondContact O-N 3.15Å; L1716-L1718 VanDerWaalsContact O-N 3.07Å; L1718-M1844 HydrophobicContact CB-CE 4.34Å; L1718-M1844 HydrophobicContact CD2-CE 3.92Å; L1718-M1844 HydrophobicContact CD2-CG 4.37Å; L1718-M1844 HydrophobicContact CD2-SD 3.43Å; L1718-M1844 WeakPolarHBondContact CD2-SD 3.26Å; L1718-P1845 VanDerWaalsContact CD2-CD 3.48Å; L1718-P1845 HydrophobicContact CD2-CG 4.4Å; L1718-L1859 HydrophobicContact CB-CD1 3.91Å; L1718-L1859 HydrophobicContact CB-CG 4.42Å; L1718-L1859 WeakPolarHBondContact O-CD1 3.28Å; L1718-L1862 HydrophobicContact CD1-CD2 4.36Å | ||
| 1719 | N | 69.1 | Low | 76.2 | Confident | 60.2 Ų | 60.2 | 34.3 Ų | 34.3 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | trans | -81.8 | 126.8 | 178.6 | -168.5 | -15.5 | 0 | 0 | 0 | 110.1 | R1721 D1722 | N1719-R1721 PolarHBondContact O-N 3.21Å; N1719-R1721 VanDerWaalsContact O-N 3.14Å; N1719-R1721 WeakPolarHBondContact OD1-CB 3.5Å; N1719-R1721 PolarHBondContact OD1-N 3.16Å; N1719-R1721 VanDerWaalsContact OD1-N 3.11Å; N1719-D1722 WeakPolarHBondContact CB-OD2 3.25Å; N1719-D1722 PolarHBondContact O-N 3.11Å; N1719-D1722 VanDerWaalsContact O-N 3.12Å | ||
| 1720 | P | 65.8 | Low | 74.2 | Confident | 44 Ų | 44 | 37.2 Ų | 37.2 | 29% | 0.286 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -58 | -28.2 | 177.3 | 22.5 | -34.9 | 0 | 0 | 0 | 113.4 | D1722 S1723 L1814 L1859 | P1720-D1722 PolarHBondContact O-N 3.24Å; P1720-S1723 VanDerWaalsContact O-CB 3.28Å; P1720-S1723 WeakPolarHBondContact O-CB 3.39Å; P1720-S1723 PolarHBondContact O-N 3.26Å; P1720-S1723 VanDerWaalsContact O-N 3.12Å; P1720-S1723 PolarHBondContact O-OG 3.19Å; P1720-L1814 HydrophobicContact CB-CB 3.96Å; P1720-L1814 HydrophobicContact CB-CD1 3.83Å; P1720-L1814 HydrophobicContact CB-CD2 4.15Å; P1720-L1814 HydrophobicContact CB-CG 4.19Å; P1720-L1814 HydrophobicContact CG-CB 4.41Å; P1720-L1814 HydrophobicContact CG-CD2 4.03Å; P1720-L1859 HydrophobicContact CB-CD1 3.89Å |
| 1721 | R | 63.2 | Low | 72 | Confident | 179.8 Ų | 179.8 | 42.3 Ų | 42.3 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -65.4 | -20.8 | 179.2 | -64.6 | -172.4 | 177.8 | -175.1 | -2.1 | 114.2 | N1719 S1723 M1828 | N1719-R1721 PolarHBondContact O-N 3.21Å; N1719-R1721 VanDerWaalsContact O-N 3.14Å; N1719-R1721 WeakPolarHBondContact OD1-CB 3.5Å; N1719-R1721 PolarHBondContact OD1-N 3.16Å; N1719-R1721 VanDerWaalsContact OD1-N 3.11Å; R1721-S1723 VanDerWaalsContact C-N 3.31Å; R1721-S1723 PolarHBondContact O-N 2.88Å; R1721-M1828 HydrophobicContact CB-CE 4.31Å; R1721-M1828 HydrophobicContact CG-CE 3.88Å; R1721-M1828 HydrophobicContact CG-SD 4.48Å |
| 1722 | D | 67.4 | Low | 69.6 | Low | 55 Ų | 55 | 49 Ų | 49 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -91.3 | 6 | -178.9 | -57.3 | -24.8 | 0 | 0 | 0 | 112 | N1719 P1720 M1844 | N1719-D1722 WeakPolarHBondContact CB-OD2 3.25Å; N1719-D1722 PolarHBondContact O-N 3.11Å; N1719-D1722 VanDerWaalsContact O-N 3.12Å; P1720-D1722 PolarHBondContact O-N 3.24Å; D1722-M1844 HydrophobicContact CB-CE 3.57Å; D1722-M1844 HydrophobicContact CB-SD 3.84Å; D1722-M1844 WeakPolarHBondContact OD2-CE 3.44Å |
| 1723 | S | 72.2 | Confident | 67.5 | Low | 3.4 Ų | 3.4 | 51.7 Ų | 51.7 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | trans | -77.9 | 129.1 | 179.6 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | P1720 R1721 P1832 I1857 P1860 | P1720-S1723 VanDerWaalsContact O-CB 3.28Å; P1720-S1723 WeakPolarHBondContact O-CB 3.39Å; P1720-S1723 PolarHBondContact O-N 3.26Å; P1720-S1723 VanDerWaalsContact O-N 3.12Å; P1720-S1723 PolarHBondContact O-OG 3.19Å; R1721-S1723 VanDerWaalsContact C-N 3.31Å; R1721-S1723 PolarHBondContact O-N 2.88Å; S1723-P1832 WeakPolarHBondContact O-CD 3.41Å; S1723-P1832 WeakPolarHBondContact O-CG 3.41Å; S1723-I1857 VanDerWaalsContact CA-O 3.27Å; S1723-I1857 WeakPolarHBondContact CA-O 3.44Å; S1723-I1857 WeakPolarHBondContact CB-O 3.49Å; S1723-P1860 VanDerWaalsContact OG-CD 3.26Å; S1723-P1860 WeakPolarHBondContact OG-CD 3.36Å | ||
| 1724 | V | 73.1 | Confident | 65.4 | Low | 11.6 Ų | 11.6 | 55.8 Ų | 55.8 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.6 | -175.4 | -174 | 0 | 0 | 0 | 0 | 109.8 | F1726 I1773 P1832 R1834 I1857 | V1724-F1726 HydrophobicContact CB-CD2 4.37Å; V1724-F1726 HydrophobicContact CB-CE2 3.75Å; V1724-F1726 HydrophobicContact CB-CZ 4.37Å; V1724-F1726 HydrophobicContact CG1-CD2 4.01Å; V1724-F1726 HydrophobicContact CG1-CE1 4.41Å; V1724-F1726 HydrophobicContact CG1-CE2 3.5Å; V1724-F1726 VanDerWaalsContact CG1-CE2 3.43Å; V1724-F1726 HydrophobicContact CG1-CZ 3.8Å; V1724-I1773 HydrophobicContact CG2-CD1 4.14Å; V1724-P1832 HydrophobicContact CB-CG 4.5Å; V1724-P1832 HydrophobicContact CG1-CG 4.46Å; V1724-P1832 WeakPolarHBondContact CG1-O 3.39Å; V1724-P1832 HydrophobicContact CG2-CG 4.1Å; V1724-R1834 HydrophobicContact CG1-CG 4.06Å; V1724-I1857 PolarHBondContact N-O 2.97Å; V1724-I1857 VanDerWaalsContact N-O 3.17Å; V1724-I1857 PolarHBondContact O-N 3.21Å |
| 1725 | M | 75.9 | Confident | 63.1 | Low | 2.6 Ų | 2.6 | 61.3 Ų | 61.3 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.5 | 171.9 | -174.5 | 174.9 | -178.9 | 0 | 0 | 110 | F1727 L1783 I1800 L1803 I1831 P1832 V1833 R1834 F1854 Y1855 L1856 | M1725-F1727 HydrophobicContact CE-CD2 4.49Å; M1725-F1727 HydrophobicContact CE-CE1 4.09Å; M1725-F1727 HydrophobicContact CE-CE2 3.63Å; M1725-F1727 HydrophobicContact CE-CZ 3.27Å; M1725-F1727 HydrophobicContact CG-CE2 4.23Å; M1725-F1727 HydrophobicContact SD-CE2 3.95Å; M1725-F1727 HydrophobicContact SD-CZ 4.15Å; M1725-L1783 HydrophobicContact SD-CD2 4.33Å; M1725-I1800 HydrophobicContact CE-CG1 4.4Å; M1725-L1803 HydrophobicContact CE-CD1 4.32Å; M1725-L1803 HydrophobicContact CE-CD2 4.31Å; M1725-L1803 HydrophobicContact SD-CD2 4.2Å; M1725-I1831 HydrophobicContact CB-CG2 4.16Å; M1725-P1832 PolarHBondContact N-O 3.23Å; M1725-P1832 VanDerWaalsContact N-O 3.12Å; M1725-V1833 HydrophobicContact CB-CG2 4.1Å; M1725-V1833 HydrophobicContact CG-CG2 4.38Å; M1725-V1833 CarbonylContact O-C 3.59Å; M1725-V1833 WeakPolarHBondContact O-CA 3.35Å; M1725-V1833 HydrophobicContact SD-CG2 4.26Å; M1725-R1834 PolarHBondContact O-N 3.11Å; M1725-F1854 HydrophobicContact CE-CB 3.86Å; M1725-F1854 HydrophobicContact CE-CD1 4.17Å; M1725-F1854 HydrophobicContact CE-CD2 3.83Å; M1725-F1854 HydrophobicContact CE-CE2 4.29Å; M1725-F1854 HydrophobicContact CE-CG 3.67Å; M1725-F1854 HydrophobicContact CG-CD2 4.47Å; M1725-Y1855 CarbonylContact C-O 3.4Å; M1725-Y1855 WeakPolarHBondContact CA-O 3.36Å; M1725-L1856 HydrophobicContact CB-CD1 4.5Å; M1725-L1856 HydrophobicContact CB-CD2 4.07Å; M1725-L1856 HydrophobicContact CG-CD2 4Å; M1725-L1856 HydrophobicContact SD-CD2 4.19Å |
| 1726 | F | 73.6 | Confident | 60.9 | Low | 5.2 Ų | 5.2 | 63.2 Ų | 63.2 | 2% | 0.023 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.3 | -179.9 | -71.4 | -92.4 | 0 | 0 | 0 | 111.4 | V1724 R1834 S1836 P1838 P1839 F1854 Y1855 I1857 | V1724-F1726 HydrophobicContact CB-CD2 4.37Å; V1724-F1726 HydrophobicContact CB-CE2 3.75Å; V1724-F1726 HydrophobicContact CB-CZ 4.37Å; V1724-F1726 HydrophobicContact CG1-CD2 4.01Å; V1724-F1726 HydrophobicContact CG1-CE1 4.41Å; V1724-F1726 HydrophobicContact CG1-CE2 3.5Å; V1724-F1726 VanDerWaalsContact CG1-CE2 3.43Å; V1724-F1726 HydrophobicContact CG1-CZ 3.8Å; F1726-R1834 CarbonylContact C-O 3.36Å; F1726-R1834 VanDerWaalsContact CA-O 3.28Å; F1726-R1834 WeakPolarHBondContact CA-O 3.31Å; F1726-R1834 HydrophobicContact CD1-CB 3.8Å; F1726-R1834 HydrophobicContact CE1-CB 3.87Å; F1726-R1834 HydrophobicContact CE1-CG 4.37Å; F1726-R1834 HydrophobicContact CG-CB 4.5Å; F1726-S1836 WeakPolarHBondContact CD1-O 3.39Å; F1726-S1836 WeakPolarHBondContact CD1-OG 3.21Å; F1726-S1836 WeakPolarHBondContact CE1-OG 3.37Å; F1726-P1838 HydrophobicContact CB-CB 4.36Å; F1726-P1838 HydrophobicContact CD1-CB 4.48Å; F1726-P1838 HydrophobicContact CD2-CB 4.12Å; F1726-P1838 HydrophobicContact CG-CB 4.12Å; F1726-P1839 HydrophobicContact CE2-CG 4.24Å; F1726-P1839 HydrophobicContact CZ-CG 4.23Å; F1726-F1854 CarbonylContact O-C 3.5Å; F1726-F1854 VanDerWaalsContact O-CA 3.31Å; F1726-F1854 WeakPolarHBondContact O-CA 3.27Å; F1726-Y1855 PolarHBondContact N-O 3.26Å; F1726-Y1855 PolarHBondContact O-N 3.33Å; F1726-I1857 HydrophobicContact CD2-CD1 3.7Å; F1726-I1857 HydrophobicContact CD2-CG1 4.06Å; F1726-I1857 HydrophobicContact CE2-CD1 3.52Å; F1726-I1857 VanDerWaalsContact CE2-CD1 3.45Å; F1726-I1857 HydrophobicContact CE2-CG1 4.16Å; F1726-I1857 HydrophobicContact CZ-CD1 4.44Å |
| 1727 | F | 70.6 | Confident | 58.6 | Low | 12.2 Ų | 12.2 | 65.6 Ų | 65.6 | 5% | 0.054 | 38% | 0.38 | C | S | . | . | trans | -108.3 | 109.4 | 165.2 | -70.9 | -84.8 | 0 | 0 | 0 | 108.8 | M1725 I1731 L1783 I1786 L1796 I1800 V1833 R1834 V1835 S1836 F1854 | M1725-F1727 HydrophobicContact CE-CD2 4.49Å; M1725-F1727 HydrophobicContact CE-CE1 4.09Å; M1725-F1727 HydrophobicContact CE-CE2 3.63Å; M1725-F1727 HydrophobicContact CE-CZ 3.27Å; M1725-F1727 HydrophobicContact CG-CE2 4.23Å; M1725-F1727 HydrophobicContact SD-CE2 3.95Å; M1725-F1727 HydrophobicContact SD-CZ 4.15Å; F1727-I1731 HydrophobicContact CB-CD1 3.99Å; F1727-I1731 HydrophobicContact CD1-CD1 3.76Å; F1727-I1731 HydrophobicContact CG-CD1 4.22Å; F1727-L1783 HydrophobicContact CE2-CD2 4.16Å; F1727-L1783 HydrophobicContact CZ-CD2 4.5Å; F1727-I1786 HydrophobicContact CD2-CD1 4.17Å; F1727-I1786 HydrophobicContact CE2-CD1 4.15Å; F1727-L1796 HydrophobicContact CD1-CD1 4.5Å; F1727-L1796 HydrophobicContact CE1-CD1 4.35Å; F1727-I1800 HydrophobicContact CE1-CD1 4.16Å; F1727-I1800 HydrophobicContact CE1-CG1 4.39Å; F1727-I1800 HydrophobicContact CE2-CD1 4.49Å; F1727-I1800 HydrophobicContact CZ-CD1 3.67Å; F1727-I1800 HydrophobicContact CZ-CG1 4.07Å; F1727-V1833 HydrophobicContact CD2-CG1 3.51Å; F1727-V1833 HydrophobicContact CE2-CG1 3.55Å; F1727-V1833 VanDerWaalsContact CE2-CG1 3.5Å; F1727-R1834 PolarHBondContact N-O 3.08Å; F1727-V1835 CarbonylContact O-C 3.49Å; F1727-V1835 VanDerWaalsContact O-CA 3.27Å; F1727-V1835 WeakPolarHBondContact O-CA 3.29Å; F1727-S1836 PolarHBondContact O-N 3.23Å; F1727-S1836 VanDerWaalsContact O-N 3.15Å; F1727-F1854 HydrophobicContact CD1-CB 3.84Å; F1727-F1854 HydrophobicContact CE1-CB 3.65Å; F1727-F1854 HydrophobicContact CG-CB 4.49Å; F1727-F1854 HydrophobicContact CZ-CB 4.18Å | ||
| 1728 | P | 66 | Low | 56.6 | Low | 16.2 Ų | 16.2 | 67.2 Ų | 67.2 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | trans | -62.2 | 139.3 | 173.7 | 21.7 | -25.6 | 0 | 0 | 0 | 109.6 | A1730 K1837 N1853 Y1855 | P1728-A1730 VanDerWaalsContact C-N 3.32Å; P1728-A1730 PolarHBondContact O-N 3.09Å; P1728-K1837 HydrophobicContact CB-CG 4.3Å; P1728-N1853 VanDerWaalsContact CD-O 3.26Å; P1728-N1853 WeakPolarHBondContact CD-O 3.39Å; P1728-N1853 VanDerWaalsContact CG-OD1 3.31Å; P1728-N1853 WeakPolarHBondContact CG-OD1 3.28Å; P1728-Y1855 HydrophobicContact CB-CE2 4.34Å; P1728-Y1855 HydrophobicContact CG-CD2 4.36Å; P1728-Y1855 HydrophobicContact CG-CE2 3.89Å | ||
| 1729 | P | 56.9 | Low | 54.4 | Low | 81.4 Ų | 81.4 | 71.6 Ų | 71.6 | 53% | 0.529 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -67.1 | 82.2 | 178.4 | 26.1 | -33.1 | 0 | 0 | 0 | 110.5 | I1731 | P1729-I1731 PolarHBondContact O-N 2.96Š|
| 1730 | A | 51.1 | Low | 52.4 | Low | 60.8 Ų | 60.8 | 77.6 Ų | 77.6 | 50% | 0.502 | 45% | 0.45 | S | S | . | . | trans | -100.6 | 75.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | P1728 N1732 E1733 N1853 | P1728-A1730 VanDerWaalsContact C-N 3.32Å; P1728-A1730 PolarHBondContact O-N 3.09Å; A1730-N1732 PolarHBondContact O-N 3.32Å; A1730-E1733 HydrophobicContact CB-CB 4.13Å; A1730-E1733 HydrophobicContact CB-CG 4.15Å; A1730-E1733 PolarHBondContact O-N 3.1Å; A1730-N1853 PolarHBondContact O-ND2 2.65Å | ||
| 1731 | I | 45.9 | Very low | 50.7 | Low | 107.6 Ų | 107.6 | 83.6 Ų | 83.6 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | trans | -95 | 99.6 | 174.2 | -63.1 | 161.6 | 0 | 0 | 0 | 108.3 | F1727 P1729 E1733 F1734 L1796 | F1727-I1731 HydrophobicContact CB-CD1 3.99Å; F1727-I1731 HydrophobicContact CD1-CD1 3.76Å; F1727-I1731 HydrophobicContact CG-CD1 4.22Å; P1729-I1731 PolarHBondContact O-N 2.96Å; I1731-E1733 HydrophobicContact CG2-CB 3.99Å; I1731-E1733 HydrophobicContact CG2-CG 3.95Å; I1731-E1733 PolarHBondContact O-N 3.29Å; I1731-F1734 HydrophobicContact CB-CD2 4.2Å; I1731-F1734 HydrophobicContact CD1-CE2 4.4Å; I1731-F1734 HydrophobicContact CG2-CD2 3.51Å; I1731-F1734 HydrophobicContact CG2-CE2 3.73Å; I1731-L1796 HydrophobicContact CD1-CD1 4.06Å | ||
| 1732 | N | 40.7 | Very low | 48.9 | Very low | 153.8 Ų | 153.8 | 81.2 Ų | 81.2 | 82% | 0.822 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 19.6 | 176 | -72.8 | -17.1 | 0 | 0 | 0 | 116.4 | A1730 | A1730-N1732 PolarHBondContact O-N 3.32Š|
| 1733 | E | 44.9 | Very low | 47 | Very low | 83.8 Ų | 83.8 | 85.3 Ų | 85.3 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -7.9 | -173.2 | -70.1 | -178.3 | 174.7 | 0 | 0 | 114.9 | A1730 I1731 Q1791 S1793 | A1730-E1733 HydrophobicContact CB-CB 4.13Å; A1730-E1733 HydrophobicContact CB-CG 4.15Å; A1730-E1733 PolarHBondContact O-N 3.1Å; I1731-E1733 HydrophobicContact CG2-CB 3.99Å; I1731-E1733 HydrophobicContact CG2-CG 3.95Å; I1731-E1733 PolarHBondContact O-N 3.29Å; E1733-Q1791 PolarHBondContact O-OE1 2.89Å; E1733-S1793 PolarHBondContact OE2-N 3.42Å |
| 1734 | F | 42 | Very low | 44.9 | Very low | 86.4 Ų | 86.4 | 90.9 Ų | 90.9 | 38% | 0.379 | 54% | 0.535 | S | S | . | . | trans | -125.1 | 65 | 178.8 | -64.8 | -77.6 | 0 | 0 | 0 | 112.2 | I1731 P1736 I1786 L1796 V1835 | I1731-F1734 HydrophobicContact CB-CD2 4.2Å; I1731-F1734 HydrophobicContact CD1-CE2 4.4Å; I1731-F1734 HydrophobicContact CG2-CD2 3.51Å; I1731-F1734 HydrophobicContact CG2-CE2 3.73Å; F1734-P1736 VanDerWaalsContact O-CD 3.26Å; F1734-P1736 WeakPolarHBondContact O-CD 3.32Å; F1734-I1786 HydrophobicContact CE1-CG1 4.29Å; F1734-I1786 HydrophobicContact CZ-CG1 4.31Å; F1734-I1786 HydrophobicContact CZ-CG2 4.06Å; F1734-L1796 HydrophobicContact CZ-CD2 4.2Å; F1734-V1835 HydrophobicContact CD2-CG1 4.12Å; F1734-V1835 HydrophobicContact CE2-CG1 3.99Å; F1734-V1835 HydrophobicContact CZ-CG1 4.36Å | ||
| 1735 | T | 38.4 | Very low | 42.6 | Very low | 117 Ų | 117 | 96.2 Ų | 96.2 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | trans | -101.8 | 99.7 | 161 | 36.7 | 0 | 0 | 0 | 0 | 109.1 | G1737 | T1735-G1737 VanDerWaalsContact C-N 3.32Å; T1735-G1737 PolarHBondContact O-N 3.14Å; T1735-G1737 VanDerWaalsContact O-N 3.14Å | ||
| 1736 | P | 37.2 | Very low | 40.1 | Very low | 112.8 Ų | 112.8 | 102.2 Ų | 102.2 | 73% | 0.732 | 60% | 0.603 | S | S | * | * | trans | -70.8 | 117.4 | 168 | 29.6 | -29.6 | 0 | 0 | 0 | 107.9 | F1734 C1738 | F1734-P1736 VanDerWaalsContact O-CD 3.26Å; F1734-P1736 WeakPolarHBondContact O-CD 3.32Å; P1736-C1738 PolarHBondContact O-N 3.05Å; P1736-C1738 VanDerWaalsContact O-N 3.11Å | ||
| 1737 | G | 31.7 | Very low | 37.8 | Very low | 80 Ų | 80 | 110.8 Ų | 110.8 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | trans | -61.8 | 93.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1735 | T1735-G1737 VanDerWaalsContact C-N 3.32Å; T1735-G1737 PolarHBondContact O-N 3.14Å; T1735-G1737 VanDerWaalsContact O-N 3.14Å | ||
| 1738 | C | 28 | Very low | 35.6 | Very low | 120.4 Ų | 120.4 | 119.5 Ų | 119.5 | 81% | 0.814 | 68% | 0.679 | S | S | * | * | trans | -138.4 | 114.9 | 160.7 | -112.3 | 0 | 0 | 0 | 0 | 109.5 | P1736 | P1736-C1738 PolarHBondContact O-N 3.05Å; P1736-C1738 VanDerWaalsContact O-N 3.11Å | ||
| 1739 | S | 28.9 | Very low | 33.6 | Very low | 108.6 Ų | 108.6 | 127.5 Ų | 127.5 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | -41.6 | 132.7 | 174.2 | 50.3 | 0 | 0 | 0 | 0 | 114 | Q1741 | S1739-Q1741 PolarHBondContact O-N 3.1Å; S1739-Q1741 VanDerWaalsContact O-N 3.14Å | ||
| 1740 | E | 27.2 | Very low | 32.1 | Very low | 187.2 Ų | 187.2 | 133.6 Ų | 133.6 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | -33.9 | 108.2 | 161 | -62.2 | 172.4 | 156.2 | 0 | 0 | 113.6 | ||||
| 1741 | Q | 29 | Very low | 30.8 | Very low | 170.6 Ų | 170.6 | 135.6 Ų | 135.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -130.9 | 90.6 | 146.5 | -78.5 | -169.8 | -1.9 | 0 | 0 | 108.5 | S1739 N1743 | S1739-Q1741 PolarHBondContact O-N 3.1Å; S1739-Q1741 VanDerWaalsContact O-N 3.14Å; Q1741-N1743 VanDerWaalsContact C-N 3.31Å; Q1741-N1743 PolarHBondContact O-N 3.38Å; Q1741-N1743 VanDerWaalsContact O-N 3.12Å | ||
| 1742 | T | 27.1 | Very low | 29.7 | Very low | 129.2 Ų | 129.2 | 140.8 Ų | 140.8 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | -57.2 | 98.4 | 160.1 | 42.5 | 0 | 0 | 0 | 0 | 109.7 | V1744 | T1742-V1744 VanDerWaalsContact C-N 3.27Å; T1742-V1744 PolarHBondContact O-N 3.46Å | ||
| 1743 | N | 27.2 | Very low | 28.9 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -120 | 104.6 | 159.1 | -86.6 | -24.6 | 0 | 0 | 0 | 109.9 | Q1741 C1745 | Q1741-N1743 VanDerWaalsContact C-N 3.31Å; Q1741-N1743 PolarHBondContact O-N 3.38Å; Q1741-N1743 VanDerWaalsContact O-N 3.12Å; N1743-C1745 PolarHBondContact O-N 3.22Å | ||
| 1744 | V | 26.8 | Very low | 27.9 | Very low | 120.8 Ų | 120.8 | 140.9 Ų | 140.9 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -13.6 | 106.5 | 153.2 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | T1742 D1746 | T1742-V1744 VanDerWaalsContact C-N 3.27Å; T1742-V1744 PolarHBondContact O-N 3.46Å; V1744-D1746 VanDerWaalsContact C-N 3.32Å; V1744-D1746 PolarHBondContact O-N 2.98Å | ||
| 1745 | C | 24.6 | Very low | 27.2 | Very low | 124.6 Ų | 124.6 | 146.1 Ų | 146.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -85.7 | 102.3 | 164.6 | -139.9 | 0 | 0 | 0 | 0 | 108.9 | N1743 F1748 | N1743-C1745 PolarHBondContact O-N 3.22Å; C1745-F1748 HydrophobicContact CB-CE2 4.23Å | ||
| 1746 | D | 24.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 148 Ų | 148 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -84 | 136.5 | 174.7 | -92.8 | -40.9 | 0 | 0 | 0 | 113 | V1744 F1748 | V1744-D1746 VanDerWaalsContact C-N 3.32Å; V1744-D1746 PolarHBondContact O-N 2.98Å; D1746-F1748 PolarHBondContact O-N 3.18Å | ||
| 1747 | K | 25.3 | Very low | 25.8 | Very low | 186.2 Ų | 186.2 | 148.2 Ų | 148.2 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 19.4 | 108.5 | 159.4 | -66.3 | 168.3 | 179.7 | 171.4 | 0 | 115.1 | Q1749 | K1747-Q1749 VanDerWaalsContact C-N 3.27Å; K1747-Q1749 PolarHBondContact O-N 3.04Å | ||
| 1748 | F | 25 | Very low | 25.4 | Very low | 194.8 Ų | 194.8 | 148.5 Ų | 148.5 | 85% | 0.854 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 104.8 | 146.4 | -83.1 | -84.2 | 0 | 0 | 0 | 110.6 | C1745 D1746 F1750 | C1745-F1748 HydrophobicContact CB-CE2 4.23Å; D1746-F1748 PolarHBondContact O-N 3.18Å; F1748-F1750 PolarHBondContact O-N 3.19Å | ||
| 1749 | Q | 22.5 | Very low | 25.3 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 120.2 | 163.3 | -83.2 | 177.6 | -23.9 | 0 | 0 | 109.1 | K1747 S1751 | K1747-Q1749 VanDerWaalsContact C-N 3.27Å; K1747-Q1749 PolarHBondContact O-N 3.04Å; Q1749-S1751 PolarHBondContact O-N 3.12Å; Q1749-S1751 VanDerWaalsContact O-N 3.12Å | ||
| 1750 | F | 25.7 | Very low | 25 | Very low | 210.2 Ų | 210.2 | 152.8 Ų | 152.8 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -64.6 | 108.4 | 169.1 | -79.6 | -87.3 | 0 | 0 | 0 | 110.3 | F1748 R1752 | F1748-F1750 PolarHBondContact O-N 3.19Å; F1750-R1752 PolarHBondContact O-N 3.2Å | ||
| 1751 | S | 23.8 | Very low | 24.8 | Very low | 102.6 Ų | 102.6 | 147.2 Ų | 147.2 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -77.1 | 115 | 169.8 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | Q1749 I1753 | Q1749-S1751 PolarHBondContact O-N 3.12Å; Q1749-S1751 VanDerWaalsContact O-N 3.12Å; S1751-I1753 PolarHBondContact O-N 3.29Å | ||
| 1752 | R | 23 | Very low | 24.5 | Very low | 216.2 Ų | 216.2 | 144.7 Ų | 144.7 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -52.9 | 111.8 | 164.9 | -93.7 | -179.8 | -161.2 | 168.4 | 0.7 | 110.1 | N1602 F1750 P1754 | N1602-R1752 VanDerWaalsContact CB-NH2 3.31Å; N1602-R1752 PolarHBondContact ND2-NE 2.76Å; N1602-R1752 VanDerWaalsContact ND2-NE 3.12Å; N1602-R1752 VanDerWaalsContact OD1-CZ 3.31Å; N1602-R1752 PolarHBondContact OD1-NE 3.18Å; N1602-R1752 PolarHBondContact OD1-NH2 3.27Å; F1750-R1752 PolarHBondContact O-N 3.2Å; R1752-P1754 WeakPolarHBondContact O-CD 3.36Å | ||
| 1753 | I | 24.6 | Very low | 24.3 | Very low | 130.8 Ų | 130.8 | 149.9 Ų | 149.9 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -89.8 | 121 | 162.3 | -60 | 173.4 | 0 | 0 | 0 | 107.2 | S1751 F1755 | S1751-I1753 PolarHBondContact O-N 3.29Å; I1753-F1755 HydrophobicContact CG2-CD2 4.1Å; I1753-F1755 HydrophobicContact CG2-CE2 4.03Å; I1753-F1755 PolarHBondContact O-N 3.11Å | ||
| 1754 | P | 24 | Very low | 24.2 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | trans | -78.9 | 116.4 | 177.8 | 25.9 | -21.6 | 0 | 0 | 0 | 109.7 | R1752 N1756 | R1752-P1754 WeakPolarHBondContact O-CD 3.36Å; P1754-N1756 PolarHBondContact O-N 3.35Å; P1754-N1756 VanDerWaalsContact O-N 3.11Å | ||
| 1755 | F | 25.7 | Very low | 24.1 | Very low | 195.6 Ų | 195.6 | 149.5 Ų | 149.5 | 86% | 0.858 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 103.9 | 169.9 | -91.9 | -89.1 | 0 | 0 | 0 | 110 | I1753 S1757 | I1753-F1755 HydrophobicContact CG2-CD2 4.1Å; I1753-F1755 HydrophobicContact CG2-CE2 4.03Å; I1753-F1755 PolarHBondContact O-N 3.11Å; F1755-S1757 PolarHBondContact O-N 3.04Å | ||
| 1756 | N | 23 | Very low | 24.2 | Very low | 156.4 Ų | 156.4 | 147.7 Ų | 147.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 115 | 165.3 | -90.4 | -16.2 | 0 | 0 | 0 | 109.7 | P1754 A1758 | P1754-N1756 PolarHBondContact O-N 3.35Å; P1754-N1756 VanDerWaalsContact O-N 3.11Å; N1756-A1758 VanDerWaalsContact C-N 3.34Å; N1756-A1758 PolarHBondContact O-N 3.22Å; N1756-A1758 VanDerWaalsContact O-N 3.1Å | ||
| 1757 | S | 24 | Very low | 24.4 | Very low | 116.6 Ų | 116.6 | 147.9 Ų | 147.9 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -78.2 | 115.5 | 168.8 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | F1755 | F1755-S1757 PolarHBondContact O-N 3.04Š| ||
| 1758 | A | 24 | Very low | 24.6 | Very low | 86.6 Ų | 86.6 | 144.9 Ų | 144.9 | 72% | 0.716 | 79% | 0.788 | S | S | * | * | trans | 160.8 | 101.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1756 | N1756-A1758 VanDerWaalsContact C-N 3.34Å; N1756-A1758 PolarHBondContact O-N 3.22Å; N1756-A1758 VanDerWaalsContact O-N 3.1Å | ||
| 1759 | T | 24.6 | Very low | 25 | Very low | 137.6 Ų | 137.6 | 139.7 Ų | 139.7 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | 133.6 | 99.8 | 133.7 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | G1761 | T1759-G1761 PolarHBondContact O-N 3.18Š| ||
| 1760 | L | 23.4 | Very low | 25.4 | Very low | 180.8 Ų | 180.8 | 132.4 Ų | 132.4 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | trans | -84.8 | 116.2 | 150.6 | -123.6 | 73.2 | 0 | 0 | 0 | 111.4 | ||||
| 1761 | G | 22.8 | Very low | 25.7 | Very low | 71.2 Ų | 71.2 | 129.6 Ų | 129.6 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -145.2 | 118.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1759 R1763 | T1759-G1761 PolarHBondContact O-N 3.18Å; G1761-R1763 PolarHBondContact O-N 2.63Å | ||
| 1762 | S | 22.4 | Very low | 26.1 | Very low | 117.8 Ų | 117.8 | 129.3 Ų | 129.3 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 66.6 | 76.8 | 157 | -179.2 | 0 | 0 | 0 | 0 | 114.4 | T1764 | S1762-T1764 VanDerWaalsContact C-N 3.26Å; S1762-T1764 PolarHBondContact O-N 3.13Å; S1762-T1764 VanDerWaalsContact O-N 3.17Å | ||
| 1763 | R | 23.1 | Very low | 26.8 | Very low | 237.6 Ų | 237.6 | 122.4 Ų | 122.4 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -97.8 | 108.3 | 155.6 | -86.7 | -177.1 | 172 | 177.8 | -2.8 | 108.8 | G1761 T1765 | G1761-R1763 PolarHBondContact O-N 2.63Å; R1763-T1765 PolarHBondContact O-N 3.14Å; R1763-T1765 VanDerWaalsContact O-N 3.13Å | ||
| 1764 | T | 24.6 | Very low | 27.1 | Very low | 124.6 Ų | 124.6 | 124.1 Ų | 124.1 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -60.9 | 112.2 | 156.4 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | S1762 S1766 | S1762-T1764 VanDerWaalsContact C-N 3.26Å; S1762-T1764 PolarHBondContact O-N 3.13Å; S1762-T1764 VanDerWaalsContact O-N 3.17Å; T1764-S1766 VanDerWaalsContact C-N 3.28Å; T1764-S1766 PolarHBondContact O-N 3.2Å | ||
| 1765 | T | 25.4 | Very low | 27.6 | Very low | 128.8 Ų | 128.8 | 124.3 Ų | 124.3 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | trans | -65.4 | 89 | 174.9 | 44.9 | 0 | 0 | 0 | 0 | 108.6 | R1763 N1767 | R1763-T1765 PolarHBondContact O-N 3.14Å; R1763-T1765 VanDerWaalsContact O-N 3.13Å; T1765-N1767 PolarHBondContact O-N 3.07Å | ||
| 1766 | S | 27.3 | Very low | 28.2 | Very low | 86.2 Ų | 86.2 | 120.5 Ų | 120.5 | 60% | 0.603 | 70% | 0.7 | S | S | * | * | trans | -86.6 | 101.6 | 162 | 58 | 0 | 0 | 0 | 0 | 107.2 | T1764 N1768 | T1764-S1766 VanDerWaalsContact C-N 3.28Å; T1764-S1766 PolarHBondContact O-N 3.2Å; S1766-N1768 VanDerWaalsContact C-N 3.29Å; S1766-N1768 PolarHBondContact O-N 3.07Å; S1766-N1768 VanDerWaalsContact O-N 3.1Å; S1766-N1768 PolarHBondContact OG-OD1 3.18Å | ||
| 1767 | N | 28.3 | Very low | 29 | Very low | 131.4 Ų | 131.4 | 120.4 Ų | 120.4 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | trans | -67 | 87 | 171.9 | -72.2 | -9.4 | 0 | 0 | 0 | 108.9 | P1717 T1765 I1769 | P1717-N1767 VanDerWaalsContact CG-O 3.23Å; P1717-N1767 WeakPolarHBondContact CG-O 3.36Å; T1765-N1767 PolarHBondContact O-N 3.07Å; N1767-I1769 VanDerWaalsContact C-N 3.3Å; N1767-I1769 HydrophobicContact CB-CD1 4.49Å; N1767-I1769 PolarHBondContact O-N 3.12Å; N1767-I1769 VanDerWaalsContact O-N 3.14Å | ||
| 1768 | N | 29.2 | Very low | 30 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 66% | 0.658 | 68% | 0.679 | S | S | * | * | trans | -59 | 99.8 | 173.8 | -74.6 | -11.5 | 0 | 0 | 0 | 109.8 | S1766 G1770 | S1766-N1768 VanDerWaalsContact C-N 3.29Å; S1766-N1768 PolarHBondContact O-N 3.07Å; S1766-N1768 VanDerWaalsContact O-N 3.1Å; S1766-N1768 PolarHBondContact OG-OD1 3.18Å; N1768-G1770 PolarHBondContact O-N 3.15Å | ||
| 1769 | I | 32.7 | Very low | 31 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 44% | 0.436 | 68% | 0.681 | S | S | . | * | trans | -76.5 | 30.3 | 161.9 | -60.5 | 160.2 | 0 | 0 | 0 | 108.8 | P1653 L1716 P1717 N1767 Y1771 T1843 | P1653-I1769 HydrophobicContact CB-CD1 3.61Å; P1653-I1769 HydrophobicContact CB-CG1 4.07Å; P1653-I1769 HydrophobicContact CB-CG2 3.87Å; P1653-I1769 HydrophobicContact CG-CD1 3.53Å; P1653-I1769 VanDerWaalsContact CG-CD1 3.41Å; P1653-I1769 HydrophobicContact CG-CG1 4.37Å; P1653-I1769 HydrophobicContact CG-CG2 4.13Å; L1716-I1769 HydrophobicContact CD2-CD1 4.3Å; P1717-I1769 HydrophobicContact CG-CD1 4.21Å; N1767-I1769 VanDerWaalsContact C-N 3.3Å; N1767-I1769 HydrophobicContact CB-CD1 4.49Å; N1767-I1769 PolarHBondContact O-N 3.12Å; N1767-I1769 VanDerWaalsContact O-N 3.14Å; I1769-Y1771 HydrophobicContact CG2-CD2 4.06Å; I1769-Y1771 HydrophobicContact CG2-CE2 3.98Å; I1769-Y1771 PolarHBondContact O-N 2.91Å; I1769-T1843 HydrophobicContact CG2-CG2 4.43Å | ||
| 1770 | G | 30.9 | Very low | 32.1 | Very low | 31.8 Ų | 31.8 | 120.8 Ų | 120.8 | 33% | 0.328 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -90.1 | 108.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | N1768 S1772 | N1768-G1770 PolarHBondContact O-N 3.15Å; G1770-S1772 VanDerWaalsContact C-N 3.3Å; G1770-S1772 PolarHBondContact O-N 3.12Å; G1770-S1772 VanDerWaalsContact O-N 3.12Å |
| 1771 | Y | 33.4 | Very low | 33.6 | Very low | 151.4 Ų | 151.4 | 114.1 Ų | 114.1 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | trans | -50.6 | 112.2 | 162.5 | -93.7 | -93.4 | 0 | 0 | 0 | 107.3 | I1769 I1773 | I1769-Y1771 HydrophobicContact CG2-CD2 4.06Å; I1769-Y1771 HydrophobicContact CG2-CE2 3.98Å; I1769-Y1771 PolarHBondContact O-N 2.91Å; Y1771-I1773 VanDerWaalsContact C-N 3.3Å; Y1771-I1773 PolarHBondContact O-N 3.2Å | ||
| 1772 | S | 31.1 | Very low | 35.1 | Very low | 95.6 Ų | 95.6 | 114.2 Ų | 114.2 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | trans | -65.1 | 95.7 | 166.8 | 58.4 | 0 | 0 | 0 | 0 | 106.5 | G1770 H1774 | G1770-S1772 VanDerWaalsContact C-N 3.3Å; G1770-S1772 PolarHBondContact O-N 3.12Å; G1770-S1772 VanDerWaalsContact O-N 3.12Å; S1772-H1774 PolarHBondContact O-N 3.17Å | ||
| 1773 | I | 37.3 | Very low | 36.8 | Very low | 71.4 Ų | 71.4 | 109.2 Ų | 109.2 | 37% | 0.366 | 58% | 0.581 | S | S | . | * | trans | -74.6 | 67.9 | 174.1 | -47.8 | 159 | 0 | 0 | 0 | 107.8 | V1724 Y1771 D1775 R1834 | V1724-I1773 HydrophobicContact CG2-CD1 4.14Å; Y1771-I1773 VanDerWaalsContact C-N 3.3Å; Y1771-I1773 PolarHBondContact O-N 3.2Å; I1773-D1775 VanDerWaalsContact C-N 3.27Å; I1773-D1775 PolarHBondContact O-N 3.27Å; I1773-D1775 VanDerWaalsContact O-N 3.16Å; I1773-R1834 VanDerWaalsContact CB-NH2 3.35Å; I1773-R1834 PolarHBondContact O-NH1 3.18Å; I1773-R1834 PolarHBondContact O-NH2 3.17Å | ||
| 1774 | H | 31.5 | Very low | 38.4 | Very low | 165.8 Ų | 165.8 | 104.6 Ų | 104.6 | 77% | 0.768 | 57% | 0.57 | S | S | * | * | trans | -103.6 | 65.9 | 169.7 | -88.7 | -65.2 | 0 | 0 | 0 | 108.6 | S1772 S1776 | S1772-H1774 PolarHBondContact O-N 3.17Å; H1774-S1776 PolarHBondContact O-N 3.18Å | ||
| 1775 | D | 35.6 | Very low | 39.9 | Very low | 115.8 Ų | 115.8 | 103.3 Ų | 103.3 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | trans | -84.1 | 105.5 | 152.6 | -90.3 | -28.4 | 0 | 0 | 0 | 106.5 | I1773 N1777 E1778 | I1773-D1775 VanDerWaalsContact C-N 3.27Å; I1773-D1775 PolarHBondContact O-N 3.27Å; I1773-D1775 VanDerWaalsContact O-N 3.16Å; D1775-N1777 PolarHBondContact O-N 3.16Å; D1775-E1778 HydrophobicContact CB-CG 4.34Å; D1775-E1778 PolarHBondContact O-N 3.01Å | ||
| 1776 | S | 38.3 | Very low | 41.6 | Very low | 114.2 Ų | 114.2 | 97.5 Ų | 97.5 | 80% | 0.799 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 9.2 | -172.9 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | H1774 | H1774-S1776 PolarHBondContact O-N 3.18Š|
| 1777 | N | 39.8 | Very low | 43 | Very low | 154.2 Ų | 154.2 | 96 Ų | 96 | 83% | 0.825 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 5 | -173.5 | -72.2 | -6 | 0 | 0 | 0 | 114.7 | D1775 | D1775-N1777 PolarHBondContact O-N 3.16Š|
| 1778 | E | 43.4 | Very low | 44.3 | Very low | 78.8 Ų | 78.8 | 93.7 Ų | 93.7 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -89.8 | 129.1 | 175.2 | -69.9 | -166 | 148.8 | 0 | 0 | 111.8 | D1775 F1780 R1834 | D1775-E1778 HydrophobicContact CB-CG 4.34Å; D1775-E1778 PolarHBondContact O-N 3.01Å; E1778-F1780 WeakPolarHBondContact O-CD2 3.32Å; E1778-F1780 PolarHBondContact O-N 3.06Å; E1778-F1780 VanDerWaalsContact O-N 3.13Å; E1778-R1834 WeakPolarHBondContact OE2-CD 3.15Å; E1778-R1834 IonicContact OE2-CZ 3.5Å; E1778-R1834 IonicContact OE2-NE 3.28Å; E1778-R1834 IonicContact OE2-NH1 3.15Å; E1778-R1834 PolarHBondContact OE2-NH1 3.18Å; E1778-R1834 VanDerWaalsContact OE2-NH1 3.12Å |
| 1779 | L | 45.3 | Very low | 45.6 | Very low | 148.2 Ų | 148.2 | 89.4 Ų | 89.4 | 78% | 0.776 | 48% | 0.481 | S | S | * | . | trans | -61.9 | 109.8 | 175.8 | -85.1 | 144.7 | 0 | 0 | 0 | 110.3 | ||||
| 1780 | F | 48.3 | Very low | 46.6 | Very low | 122.8 Ų | 122.8 | 94.3 Ų | 94.3 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.7 | 162.2 | -73.2 | -90.4 | 0 | 0 | 0 | 108.2 | E1778 P1832 R1834 | E1778-F1780 WeakPolarHBondContact O-CD2 3.32Å; E1778-F1780 PolarHBondContact O-N 3.06Å; E1778-F1780 VanDerWaalsContact O-N 3.13Å; F1780-P1832 HydrophobicContact CD1-CB 4.11Å; F1780-P1832 HydrophobicContact CE1-CB 3.96Å; F1780-R1834 HydrophobicContact CD1-CG 4.5Å |
| 1781 | V | 54.1 | Low | 47.6 | Very low | 40.2 Ų | 40.2 | 99.2 Ų | 99.2 | 24% | 0.244 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.4 | 175.4 | -174 | 0 | 0 | 0 | 0 | 107.6 | D1785 I1786 V1833 V1835 | V1781-D1785 HydrophobicContact CG1-CB 4.24Å; V1781-I1786 HydrophobicContact CB-CD1 4.37Å; V1781-I1786 HydrophobicContact CB-CG1 4.39Å; V1781-I1786 HydrophobicContact CG1-CD1 3.91Å; V1781-I1786 HydrophobicContact CG1-CG1 3.59Å; V1781-I1786 VanDerWaalsContact CG1-CG1 3.48Å; V1781-V1833 PolarHBondContact N-O 3.29Å; V1781-V1833 VanDerWaalsContact N-O 3.15Å; V1781-V1835 HydrophobicContact CB-CG2 4.26Å; V1781-V1835 HydrophobicContact CG2-CG2 3.89Å |
| 1782 | D | 55.3 | Low | 48.5 | Very low | 73.6 Ų | 73.6 | 92.2 Ų | 92.2 | 39% | 0.394 | 49% | 0.49 | S | S | . | . | trans | -73.3 | 137 | 174.1 | -142.9 | -18.8 | 0 | 0 | 0 | 109.4 | Q1784 D1785 I1786 Q1829 S1830 | D1782-Q1784 PolarHBondContact O-N 3.31Å; D1782-Q1784 VanDerWaalsContact O-N 3.12Å; D1782-D1785 WeakPolarHBondContact O-CB 3.4Å; D1782-D1785 PolarHBondContact O-N 3.2Å; D1782-I1786 PolarHBondContact O-N 3.2Å; D1782-Q1829 PolarHBondContact OD2-NE2 3.03Å; D1782-S1830 PolarHBondContact OD1-OG 3.03Å | ||
| 1783 | L | 57.5 | Low | 49.9 | Very low | 13.6 Ų | 13.6 | 90 Ų | 90 | 7% | 0.071 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -56.5 | -31.8 | -179.4 | -88.7 | 161.3 | 0 | 0 | 0 | 111.9 | M1725 F1727 D1785 I1786 L1787 I1800 M1804 I1831 V1833 | M1725-L1783 HydrophobicContact SD-CD2 4.33Å; F1727-L1783 HydrophobicContact CE2-CD2 4.16Å; F1727-L1783 HydrophobicContact CZ-CD2 4.5Å; L1783-D1785 VanDerWaalsContact C-N 3.31Å; L1783-D1785 PolarHBondContact O-N 3.12Å; L1783-I1786 PolarHBondContact O-N 3.03Å; L1783-L1787 WeakPolarHBondContact O-CB 3.33Å; L1783-L1787 VanDerWaalsContact O-CG 3.26Å; L1783-L1787 WeakPolarHBondContact O-CG 3.3Å; L1783-L1787 PolarHBondContact O-N 3.01Å; L1783-L1787 VanDerWaalsContact O-N 3.13Å; L1783-I1800 HydrophobicContact CD2-CG2 4.24Å; L1783-M1804 HydrophobicContact CD1-CE 4.49Å; L1783-M1804 HydrophobicContact CD1-SD 4.28Å; L1783-I1831 HydrophobicContact CD1-CB 4.43Å; L1783-V1833 HydrophobicContact CD1-CG2 3.83Å; L1783-V1833 HydrophobicContact CD2-CB 4.42Å; L1783-V1833 HydrophobicContact CD2-CG1 4.2Å; L1783-V1833 HydrophobicContact CD2-CG2 3.59Å; L1783-V1833 VanDerWaalsContact CD2-CG2 3.49Å; L1783-V1833 HydrophobicContact CG-CB 4.1Å; L1783-V1833 HydrophobicContact CG-CG1 4.39Å; L1783-V1833 HydrophobicContact CG-CG2 3.39Å; L1783-V1833 VanDerWaalsContact CG-CG2 3.42Å |
| 1784 | Q | 56.9 | Low | 51.2 | Low | 139.4 Ų | 139.4 | 92.5 Ų | 92.5 | 65% | 0.651 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65 | -34 | 176.6 | -107.9 | 142.9 | -0.9 | 0 | 0 | 112.3 | D1782 I1786 L1787 S1788 | D1782-Q1784 PolarHBondContact O-N 3.31Å; D1782-Q1784 VanDerWaalsContact O-N 3.12Å; Q1784-I1786 VanDerWaalsContact C-N 3.34Å; Q1784-I1786 PolarHBondContact O-N 3.13Å; Q1784-L1787 PolarHBondContact O-N 3.21Å; Q1784-S1788 WeakPolarHBondContact O-CA 3.49Å; Q1784-S1788 VanDerWaalsContact O-CB 3.28Å; Q1784-S1788 WeakPolarHBondContact O-CB 3.35Å; Q1784-S1788 PolarHBondContact O-N 3.22Å; Q1784-S1788 PolarHBondContact O-OG 3.06Å |
| 1785 | D | 57.2 | Low | 52.5 | Low | 97.8 Ų | 97.8 | 90.9 Ų | 90.9 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 178.1 | -65.1 | -24.5 | 0 | 0 | 0 | 111.3 | V1781 D1782 L1783 S1788 S1789 | V1781-D1785 HydrophobicContact CG1-CB 4.24Å; D1782-D1785 WeakPolarHBondContact O-CB 3.4Å; D1782-D1785 PolarHBondContact O-N 3.2Å; L1783-D1785 VanDerWaalsContact C-N 3.31Å; L1783-D1785 PolarHBondContact O-N 3.12Å; D1785-S1788 WeakPolarHBondContact CA-OG 3.32Å; D1785-S1788 PolarHBondContact O-OG 3.02Å; D1785-S1789 VanDerWaalsContact O-CB 3.3Å; D1785-S1789 WeakPolarHBondContact O-CB 3.42Å; D1785-S1789 PolarHBondContact O-N 3.09Å |
| 1786 | I | 59.3 | Low | 53.7 | Low | 6.8 Ų | 6.8 | 86.3 Ų | 86.3 | 4% | 0.035 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 175.7 | -60.5 | 175.2 | 0 | 0 | 0 | 111 | F1727 F1734 V1781 D1782 L1783 Q1784 S1789 S1792 L1796 I1800 V1833 V1835 | F1727-I1786 HydrophobicContact CD2-CD1 4.17Å; F1727-I1786 HydrophobicContact CE2-CD1 4.15Å; F1734-I1786 HydrophobicContact CE1-CG1 4.29Å; F1734-I1786 HydrophobicContact CZ-CG1 4.31Å; F1734-I1786 HydrophobicContact CZ-CG2 4.06Å; V1781-I1786 HydrophobicContact CB-CD1 4.37Å; V1781-I1786 HydrophobicContact CB-CG1 4.39Å; V1781-I1786 HydrophobicContact CG1-CD1 3.91Å; V1781-I1786 HydrophobicContact CG1-CG1 3.59Å; V1781-I1786 VanDerWaalsContact CG1-CG1 3.48Å; D1782-I1786 PolarHBondContact O-N 3.2Å; L1783-I1786 PolarHBondContact O-N 3.03Å; Q1784-I1786 VanDerWaalsContact C-N 3.34Å; Q1784-I1786 PolarHBondContact O-N 3.13Å; I1786-S1789 PolarHBondContact O-N 3.17Å; I1786-S1789 PolarHBondContact O-OG 3.41Å; I1786-S1792 PolarHBondContact O-OG 3.34Å; I1786-S1792 VanDerWaalsContact O-OG 3.09Å; I1786-L1796 HydrophobicContact CG2-CD2 3.98Å; I1786-I1800 HydrophobicContact CG2-CD1 3.81Å; I1786-V1833 HydrophobicContact CD1-CG1 3.91Å; I1786-V1835 HydrophobicContact CD1-CG2 4.05Å |
| 1787 | L | 57.7 | Low | 54.9 | Low | 55.2 Ų | 55.2 | 83.6 Ų | 83.6 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.1 | -30.9 | 179.4 | -71.6 | 170.2 | 0 | 0 | 0 | 112.7 | L1783 Q1784 R1797 I1800 T1801 | L1783-L1787 WeakPolarHBondContact O-CB 3.33Å; L1783-L1787 VanDerWaalsContact O-CG 3.26Å; L1783-L1787 WeakPolarHBondContact O-CG 3.3Å; L1783-L1787 PolarHBondContact O-N 3.01Å; L1783-L1787 VanDerWaalsContact O-N 3.13Å; Q1784-L1787 PolarHBondContact O-N 3.21Å; L1787-R1797 HydrophobicContact CD2-CB 4.35Å; L1787-R1797 HydrophobicContact CD2-CG 3.94Å; L1787-R1797 WeakPolarHBondContact O-CD 3.44Å; L1787-R1797 PolarHBondContact O-NE 3.31Å; L1787-R1797 PolarHBondContact O-NH2 2.88Å; L1787-I1800 HydrophobicContact CD1-CG2 4.45Å; L1787-I1800 HydrophobicContact CD2-CB 4.39Å; L1787-I1800 HydrophobicContact CD2-CD1 3.91Å; L1787-I1800 HydrophobicContact CD2-CG2 4.06Å; L1787-I1800 HydrophobicContact CG-CG2 4.4Å; L1787-T1801 HydrophobicContact CD2-CG2 3.97Å |
| 1788 | S | 55.9 | Low | 56.1 | Low | 83.4 Ų | 83.4 | 80.5 Ų | 80.5 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -89 | -16.2 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 114 | Q1784 D1785 E1790 | Q1784-S1788 WeakPolarHBondContact O-CA 3.49Å; Q1784-S1788 VanDerWaalsContact O-CB 3.28Å; Q1784-S1788 WeakPolarHBondContact O-CB 3.35Å; Q1784-S1788 PolarHBondContact O-N 3.22Å; Q1784-S1788 PolarHBondContact O-OG 3.06Å; D1785-S1788 WeakPolarHBondContact CA-OG 3.32Å; D1785-S1788 PolarHBondContact O-OG 3.02Å; S1788-E1790 PolarHBondContact O-N 3.07Å |
| 1789 | S | 57.1 | Low | 57 | Low | 31.8 Ų | 31.8 | 78.7 Ų | 78.7 | 22% | 0.222 | 40% | 0.401 | C | S | . | . | trans | -62.5 | 123.9 | 175.7 | 158 | 0 | 0 | 0 | 0 | 111.3 | D1785 I1786 Q1791 S1792 R1797 | D1785-S1789 VanDerWaalsContact O-CB 3.3Å; D1785-S1789 WeakPolarHBondContact O-CB 3.42Å; D1785-S1789 PolarHBondContact O-N 3.09Å; I1786-S1789 PolarHBondContact O-N 3.17Å; I1786-S1789 PolarHBondContact O-OG 3.41Å; S1789-Q1791 PolarHBondContact O-N 3.28Å; S1789-Q1791 VanDerWaalsContact O-N 3.14Å; S1789-Q1791 WeakPolarHBondContact OG-CB 3.34Å; S1789-Q1791 PolarHBondContact OG-N 3.12Å; S1789-Q1791 VanDerWaalsContact OG-N 3.17Å; S1789-S1792 PolarHBondContact O-N 3.1Å; S1789-S1792 PolarHBondContact O-OG 3.06Å; S1789-S1792 VanDerWaalsContact O-OG 3.1Å; S1789-R1797 PolarHBondContact O-NH1 3.23Å; S1789-R1797 PolarHBondContact O-NH2 3.07Å | ||
| 1790 | E | 53 | Low | 57.9 | Low | 187.8 Ų | 187.8 | 71.8 Ų | 71.8 | 88% | 0.878 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.1 | 172.9 | -70.3 | -170.3 | 162.4 | 0 | 0 | 112.8 | S1788 R1797 | S1788-E1790 PolarHBondContact O-N 3.07Å; E1790-R1797 PolarHBondContact O-NH2 2.93Å |
| 1791 | Q | 50.8 | Low | 58.7 | Low | 134.4 Ų | 134.4 | 68.8 Ų | 68.8 | 63% | 0.628 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.9 | -175.7 | -64.2 | -176 | -16.5 | 0 | 0 | 114.1 | E1733 S1789 S1793 | E1733-Q1791 PolarHBondContact O-OE1 2.89Å; S1789-Q1791 PolarHBondContact O-N 3.28Å; S1789-Q1791 VanDerWaalsContact O-N 3.14Å; S1789-Q1791 WeakPolarHBondContact OG-CB 3.34Å; S1789-Q1791 PolarHBondContact OG-N 3.12Å; S1789-Q1791 VanDerWaalsContact OG-N 3.17Å; Q1791-S1793 PolarHBondContact O-N 3.45Å |
| 1792 | S | 53.5 | Low | 59.3 | Low | 6.4 Ų | 6.4 | 73.7 Ų | 73.7 | 5% | 0.045 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -76.4 | 133.2 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | I1786 S1789 Q1794 R1797 | I1786-S1792 PolarHBondContact O-OG 3.34Å; I1786-S1792 VanDerWaalsContact O-OG 3.09Å; S1789-S1792 PolarHBondContact O-N 3.1Å; S1789-S1792 PolarHBondContact O-OG 3.06Å; S1789-S1792 VanDerWaalsContact O-OG 3.1Å; S1792-Q1794 PolarHBondContact O-N 3.4Å; S1792-R1797 VanDerWaalsContact O-CZ 3.29Å; S1792-R1797 PolarHBondContact O-NE 3.5Å; S1792-R1797 PolarHBondContact O-NH1 3.33Å; S1792-R1797 PolarHBondContact O-NH2 3.13Å; S1792-R1797 VanDerWaalsContact O-NH2 3.16Å; S1792-R1797 WeakPolarHBondContact OG-CD 3.2Å; S1792-R1797 WeakPolarHBondContact OG-CG 3.32Å; S1792-R1797 PolarHBondContact OG-NE 3.25Å; S1792-R1797 VanDerWaalsContact OG-NE 3.12Å; S1792-R1797 PolarHBondContact OG-NH1 2.85Å; S1792-R1797 PolarHBondContact OG-NH2 3.35Å; S1792-R1797 VanDerWaalsContact OG-NH2 3.12Å |
| 1793 | S | 60.4 | Low | 59.8 | Low | 47.8 Ų | 47.8 | 70.9 Ų | 70.9 | 33% | 0.334 | 36% | 0.362 | S | S | . | . | trans | -57.5 | 140.3 | 174.9 | 62.7 | 0 | 0 | 0 | 0 | 111 | E1733 Q1791 Q1795 L1796 R1797 | E1733-S1793 PolarHBondContact OE2-N 3.42Å; Q1791-S1793 PolarHBondContact O-N 3.45Å; S1793-Q1795 PolarHBondContact O-N 3.27Å; S1793-Q1795 VanDerWaalsContact O-N 3.15Å; S1793-L1796 VanDerWaalsContact O-CB 3.3Å; S1793-L1796 WeakPolarHBondContact O-CB 3.42Å; S1793-L1796 PolarHBondContact O-N 3.03Å; S1793-L1796 VanDerWaalsContact OG-CB 3.26Å; S1793-L1796 WeakPolarHBondContact OG-CB 3.4Å; S1793-L1796 PolarHBondContact OG-N 3.08Å; S1793-R1797 PolarHBondContact O-N 3.01Å; S1793-R1797 VanDerWaalsContact O-N 3.16Å | ||
| 1794 | Q | 63.4 | Low | 60.2 | Low | 125 Ų | 125 | 72.7 Ų | 72.7 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -55.2 | -35.4 | 179 | -168.1 | 96.9 | 10.3 | 0 | 0 | 111.4 | S1792 L1796 R1797 D1798 | S1792-Q1794 PolarHBondContact O-N 3.4Å; Q1794-L1796 PolarHBondContact O-N 3.16Å; Q1794-R1797 WeakPolarHBondContact O-CB 3.3Å; Q1794-R1797 PolarHBondContact O-N 3.18Å; Q1794-D1798 PolarHBondContact NE2-OD1 3.34Å; Q1794-D1798 WeakPolarHBondContact O-CB 3.33Å; Q1794-D1798 VanDerWaalsContact O-CG 3.26Å; Q1794-D1798 PolarHBondContact O-N 3.05Å |
| 1795 | Q | 59.6 | Low | 60.6 | Low | 131.8 Ų | 131.8 | 70.9 Ų | 70.9 | 62% | 0.616 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 175.1 | -169.8 | 176.3 | 2.1 | 0 | 0 | 113.1 | S1793 R1797 D1798 N1799 | S1793-Q1795 PolarHBondContact O-N 3.27Å; S1793-Q1795 VanDerWaalsContact O-N 3.15Å; Q1795-R1797 VanDerWaalsContact C-N 3.34Å; Q1795-D1798 PolarHBondContact O-N 3.22Å; Q1795-N1799 VanDerWaalsContact O-CB 3.3Å; Q1795-N1799 WeakPolarHBondContact O-CB 3.3Å; Q1795-N1799 PolarHBondContact O-N 3.22Å; Q1795-N1799 PolarHBondContact O-ND2 3.34Å |
| 1796 | L | 61.1 | Low | 60.8 | Low | 19.4 Ų | 19.4 | 67.9 Ų | 67.9 | 10% | 0.102 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 174.6 | -174 | 115.6 | 0 | 0 | 0 | 110.8 | F1727 I1731 F1734 I1786 S1793 Q1794 N1799 I1800 A1852 | F1727-L1796 HydrophobicContact CD1-CD1 4.5Å; F1727-L1796 HydrophobicContact CE1-CD1 4.35Å; I1731-L1796 HydrophobicContact CD1-CD1 4.06Å; F1734-L1796 HydrophobicContact CZ-CD2 4.2Å; I1786-L1796 HydrophobicContact CG2-CD2 3.98Å; S1793-L1796 VanDerWaalsContact O-CB 3.3Å; S1793-L1796 WeakPolarHBondContact O-CB 3.42Å; S1793-L1796 PolarHBondContact O-N 3.03Å; S1793-L1796 VanDerWaalsContact OG-CB 3.26Å; S1793-L1796 WeakPolarHBondContact OG-CB 3.4Å; S1793-L1796 PolarHBondContact OG-N 3.08Å; Q1794-L1796 PolarHBondContact O-N 3.16Å; L1796-N1799 PolarHBondContact O-N 3Å; L1796-I1800 HydrophobicContact CD1-CD1 4.34Å; L1796-I1800 HydrophobicContact CD2-CD1 3.68Å; L1796-I1800 VanDerWaalsContact CD2-CD1 3.41Å; L1796-I1800 HydrophobicContact CD2-CG1 4.36Å; L1796-I1800 HydrophobicContact CG-CD1 3.91Å; L1796-I1800 HydrophobicContact CG-CG1 4.43Å; L1796-I1800 WeakPolarHBondContact O-CB 3.39Å; L1796-I1800 VanDerWaalsContact O-CG1 3.25Å; L1796-I1800 WeakPolarHBondContact O-CG1 3.28Å; L1796-I1800 PolarHBondContact O-N 3.18Å; L1796-A1852 HydrophobicContact CD1-CB 4.31Å; L1796-A1852 WeakPolarHBondContact CD1-O 3.39Å |
| 1797 | R | 63.1 | Low | 61 | Low | 58.2 Ų | 58.2 | 67.7 Ų | 67.7 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 175 | -71 | -170.6 | -91.1 | -130 | -6 | 111.6 | L1787 S1789 E1790 S1792 S1793 Q1794 Q1795 N1799 I1800 T1801 | L1787-R1797 HydrophobicContact CD2-CB 4.35Å; L1787-R1797 HydrophobicContact CD2-CG 3.94Å; L1787-R1797 WeakPolarHBondContact O-CD 3.44Å; L1787-R1797 PolarHBondContact O-NE 3.31Å; L1787-R1797 PolarHBondContact O-NH2 2.88Å; S1789-R1797 PolarHBondContact O-NH1 3.23Å; S1789-R1797 PolarHBondContact O-NH2 3.07Å; E1790-R1797 PolarHBondContact O-NH2 2.93Å; S1792-R1797 VanDerWaalsContact O-CZ 3.29Å; S1792-R1797 PolarHBondContact O-NE 3.5Å; S1792-R1797 PolarHBondContact O-NH1 3.33Å; S1792-R1797 PolarHBondContact O-NH2 3.13Å; S1792-R1797 VanDerWaalsContact O-NH2 3.16Å; S1792-R1797 WeakPolarHBondContact OG-CD 3.2Å; S1792-R1797 WeakPolarHBondContact OG-CG 3.32Å; S1792-R1797 PolarHBondContact OG-NE 3.25Å; S1792-R1797 VanDerWaalsContact OG-NE 3.12Å; S1792-R1797 PolarHBondContact OG-NH1 2.85Å; S1792-R1797 PolarHBondContact OG-NH2 3.35Å; S1792-R1797 VanDerWaalsContact OG-NH2 3.12Å; S1793-R1797 PolarHBondContact O-N 3.01Å; S1793-R1797 VanDerWaalsContact O-N 3.16Å; Q1794-R1797 WeakPolarHBondContact O-CB 3.3Å; Q1794-R1797 PolarHBondContact O-N 3.18Å; Q1795-R1797 VanDerWaalsContact C-N 3.34Å; R1797-N1799 PolarHBondContact O-N 3.23Å; R1797-I1800 PolarHBondContact O-N 3.26Å; R1797-T1801 VanDerWaalsContact O-CB 3.3Å; R1797-T1801 WeakPolarHBondContact O-CB 3.39Å; R1797-T1801 VanDerWaalsContact O-CG2 3.28Å; R1797-T1801 WeakPolarHBondContact O-CG2 3.12Å; R1797-T1801 PolarHBondContact O-N 3.08Å; R1797-T1801 PolarHBondContact O-OG1 3.19Å |
| 1798 | D | 64.6 | Low | 61.4 | Low | 88.6 Ų | 88.6 | 70.4 Ų | 70.4 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.9 | -67.9 | -18.8 | 0 | 0 | 0 | 111.1 | Q1794 Q1795 T1801 Q1802 | Q1794-D1798 PolarHBondContact NE2-OD1 3.34Å; Q1794-D1798 WeakPolarHBondContact O-CB 3.33Å; Q1794-D1798 VanDerWaalsContact O-CG 3.26Å; Q1794-D1798 PolarHBondContact O-N 3.05Å; Q1795-D1798 PolarHBondContact O-N 3.22Å; D1798-T1801 VanDerWaalsContact CA-OG1 3.29Å; D1798-T1801 WeakPolarHBondContact CA-OG1 3.42Å; D1798-T1801 PolarHBondContact O-N 3.09Å; D1798-T1801 PolarHBondContact O-OG1 3.04Å; D1798-Q1802 WeakPolarHBondContact O-CB 3.41Å; D1798-Q1802 PolarHBondContact O-N 3.15Å |
| 1799 | N | 62.7 | Low | 61.5 | Low | 40 Ų | 40 | 70.5 Ų | 70.5 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 176.8 | -72 | -15.9 | 0 | 0 | 0 | 112.4 | Q1795 L1796 R1797 T1801 Q1802 L1803 A1852 | Q1795-N1799 VanDerWaalsContact O-CB 3.3Å; Q1795-N1799 WeakPolarHBondContact O-CB 3.3Å; Q1795-N1799 PolarHBondContact O-N 3.22Å; Q1795-N1799 PolarHBondContact O-ND2 3.34Å; L1796-N1799 PolarHBondContact O-N 3Å; R1797-N1799 PolarHBondContact O-N 3.23Å; N1799-T1801 VanDerWaalsContact C-N 3.32Å; N1799-T1801 PolarHBondContact O-N 2.93Å; N1799-Q1802 PolarHBondContact O-N 3.15Å; N1799-L1803 WeakPolarHBondContact O-CB 3.33Å; N1799-L1803 PolarHBondContact O-N 3.28Å; N1799-A1852 HydrophobicContact CB-CB 3.93Å |
| 1800 | I | 63.6 | Low | 61.6 | Low | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.5 | -68.3 | 171.8 | 0 | 0 | 0 | 110.3 | M1725 F1727 L1783 I1786 L1787 L1796 R1797 Q1802 L1803 M1804 | M1725-I1800 HydrophobicContact CE-CG1 4.4Å; F1727-I1800 HydrophobicContact CE1-CD1 4.16Å; F1727-I1800 HydrophobicContact CE1-CG1 4.39Å; F1727-I1800 HydrophobicContact CE2-CD1 4.49Å; F1727-I1800 HydrophobicContact CZ-CD1 3.67Å; F1727-I1800 HydrophobicContact CZ-CG1 4.07Å; L1783-I1800 HydrophobicContact CD2-CG2 4.24Å; I1786-I1800 HydrophobicContact CG2-CD1 3.81Å; L1787-I1800 HydrophobicContact CD1-CG2 4.45Å; L1787-I1800 HydrophobicContact CD2-CB 4.39Å; L1787-I1800 HydrophobicContact CD2-CD1 3.91Å; L1787-I1800 HydrophobicContact CD2-CG2 4.06Å; L1787-I1800 HydrophobicContact CG-CG2 4.4Å; L1796-I1800 HydrophobicContact CD1-CD1 4.34Å; L1796-I1800 HydrophobicContact CD2-CD1 3.68Å; L1796-I1800 VanDerWaalsContact CD2-CD1 3.41Å; L1796-I1800 HydrophobicContact CD2-CG1 4.36Å; L1796-I1800 HydrophobicContact CG-CD1 3.91Å; L1796-I1800 HydrophobicContact CG-CG1 4.43Å; L1796-I1800 WeakPolarHBondContact O-CB 3.39Å; L1796-I1800 VanDerWaalsContact O-CG1 3.25Å; L1796-I1800 WeakPolarHBondContact O-CG1 3.28Å; L1796-I1800 PolarHBondContact O-N 3.18Å; R1797-I1800 PolarHBondContact O-N 3.26Å; I1800-Q1802 VanDerWaalsContact C-N 3.34Å; I1800-Q1802 PolarHBondContact O-N 3.19Å; I1800-L1803 PolarHBondContact O-N 3.22Å; I1800-M1804 HydrophobicContact CG2-CG 4.16Å; I1800-M1804 VanDerWaalsContact O-CB 3.29Å; I1800-M1804 WeakPolarHBondContact O-CB 3.29Å; I1800-M1804 VanDerWaalsContact O-CG 3.27Å; I1800-M1804 WeakPolarHBondContact O-CG 3.42Å; I1800-M1804 PolarHBondContact O-N 3.18Å |
| 1801 | T | 66.7 | Low | 61.9 | Low | 60.5 Ų | 60.5 | 61.5 Ų | 61.5 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 177.7 | -2.2 | 0 | 0 | 0 | 0 | 111.6 | L1787 R1797 D1798 N1799 M1804 N1805 | L1787-T1801 HydrophobicContact CD2-CG2 3.97Å; R1797-T1801 VanDerWaalsContact O-CB 3.3Å; R1797-T1801 WeakPolarHBondContact O-CB 3.39Å; R1797-T1801 VanDerWaalsContact O-CG2 3.28Å; R1797-T1801 WeakPolarHBondContact O-CG2 3.12Å; R1797-T1801 PolarHBondContact O-N 3.08Å; R1797-T1801 PolarHBondContact O-OG1 3.19Å; D1798-T1801 VanDerWaalsContact CA-OG1 3.29Å; D1798-T1801 WeakPolarHBondContact CA-OG1 3.42Å; D1798-T1801 PolarHBondContact O-N 3.09Å; D1798-T1801 PolarHBondContact O-OG1 3.04Å; N1799-T1801 VanDerWaalsContact C-N 3.32Å; N1799-T1801 PolarHBondContact O-N 2.93Å; T1801-M1804 PolarHBondContact O-N 3.04Å; T1801-N1805 VanDerWaalsContact O-CB 3.3Å; T1801-N1805 WeakPolarHBondContact O-CB 3.35Å; T1801-N1805 PolarHBondContact O-N 3.22Å; T1801-N1805 PolarHBondContact O-ND2 3.08Å; T1801-N1805 VanDerWaalsContact O-ND2 3.16Å |
| 1802 | Q | 66.5 | Low | 62.4 | Low | 142.25 Ų | 142.25 | 59.6 Ų | 59.6 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 174.3 | -170.2 | 176.7 | 6.7 | 0 | 0 | 111.5 | D1798 N1799 I1800 N1805 G1806 | D1798-Q1802 WeakPolarHBondContact O-CB 3.41Å; D1798-Q1802 PolarHBondContact O-N 3.15Å; N1799-Q1802 PolarHBondContact O-N 3.15Å; I1800-Q1802 VanDerWaalsContact C-N 3.34Å; I1800-Q1802 PolarHBondContact O-N 3.19Å; Q1802-N1805 PolarHBondContact O-N 3.24Å; Q1802-G1806 PolarHBondContact O-N 3.24Å |
| 1803 | L | 64.8 | Low | 62.6 | Low | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.8 | 179.7 | 140.5 | 0 | 0 | 0 | 112 | M1725 N1799 I1800 N1805 G1806 L1807 F1854 L1856 | M1725-L1803 HydrophobicContact CE-CD1 4.32Å; M1725-L1803 HydrophobicContact CE-CD2 4.31Å; M1725-L1803 HydrophobicContact SD-CD2 4.2Å; N1799-L1803 WeakPolarHBondContact O-CB 3.33Å; N1799-L1803 PolarHBondContact O-N 3.28Å; I1800-L1803 PolarHBondContact O-N 3.22Å; L1803-N1805 VanDerWaalsContact C-N 3.29Å; L1803-N1805 PolarHBondContact O-N 3.14Å; L1803-G1806 CarbonylContact O-C 3.52Å; L1803-G1806 WeakPolarHBondContact O-CA 3.45Å; L1803-G1806 PolarHBondContact O-N 3.27Å; L1803-G1806 VanDerWaalsContact O-N 3.12Å; L1803-L1807 HydrophobicContact CD2-CD1 3.52Å; L1803-L1807 VanDerWaalsContact CD2-CD1 3.45Å; L1803-L1807 HydrophobicContact CD2-CG 4.31Å; L1803-L1807 HydrophobicContact CG-CD1 4.13Å; L1803-L1807 HydrophobicContact CG-CG 4.32Å; L1803-L1807 WeakPolarHBondContact O-CB 3.34Å; L1803-L1807 WeakPolarHBondContact O-CG 3.24Å; L1803-L1807 PolarHBondContact O-N 3.02Å; L1803-F1854 HydrophobicContact CD1-CD1 4.21Å; L1803-F1854 HydrophobicContact CD1-CD2 4.16Å; L1803-F1854 HydrophobicContact CD1-CE1 3.73Å; L1803-F1854 VanDerWaalsContact CD1-CE1 3.43Å; L1803-F1854 HydrophobicContact CD1-CE2 3.42Å; L1803-F1854 HydrophobicContact CD1-CG 4.4Å; L1803-F1854 HydrophobicContact CD1-CZ 3.07Å; L1803-F1854 HydrophobicContact CG-CZ 4.43Å; L1803-L1856 HydrophobicContact CD1-CD1 4.01Å; L1803-L1856 HydrophobicContact CD1-CD2 4.43Å; L1803-L1856 HydrophobicContact CD1-CG 4.42Å |
| 1804 | M | 66.1 | Low | 62.3 | Low | 50.5 Ų | 50.5 | 60.8 Ų | 60.8 | 25% | 0.249 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 177.1 | -74.3 | -59.4 | -67.6 | 0 | 0 | 111.6 | L1783 I1800 T1801 G1806 L1807 K1808 | L1783-M1804 HydrophobicContact CD1-CE 4.49Å; L1783-M1804 HydrophobicContact CD1-SD 4.28Å; I1800-M1804 HydrophobicContact CG2-CG 4.16Å; I1800-M1804 VanDerWaalsContact O-CB 3.29Å; I1800-M1804 WeakPolarHBondContact O-CB 3.29Å; I1800-M1804 VanDerWaalsContact O-CG 3.27Å; I1800-M1804 WeakPolarHBondContact O-CG 3.42Å; I1800-M1804 PolarHBondContact O-N 3.18Å; T1801-M1804 PolarHBondContact O-N 3.04Å; M1804-G1806 VanDerWaalsContact C-N 3.31Å; M1804-G1806 PolarHBondContact O-N 2.84Å; M1804-L1807 CarbonylContact O-C 3.58Å; M1804-L1807 PolarHBondContact O-N 3.13Å; M1804-K1808 WeakPolarHBondContact O-CA 3.34Å; M1804-K1808 VanDerWaalsContact O-CB 3.29Å; M1804-K1808 WeakPolarHBondContact O-CB 3.41Å; M1804-K1808 PolarHBondContact O-N 3.1Å |
| 1805 | N | 65.8 | Low | 61.8 | Low | 101.25 Ų | 101.25 | 57.5 Ų | 57.5 | 54% | 0.541 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 172 | -74.8 | -26.3 | 0 | 0 | 0 | 111.8 | T1801 Q1802 L1803 K1808 | T1801-N1805 VanDerWaalsContact O-CB 3.3Å; T1801-N1805 WeakPolarHBondContact O-CB 3.35Å; T1801-N1805 PolarHBondContact O-N 3.22Å; T1801-N1805 PolarHBondContact O-ND2 3.08Å; T1801-N1805 VanDerWaalsContact O-ND2 3.16Å; Q1802-N1805 PolarHBondContact O-N 3.24Å; L1803-N1805 VanDerWaalsContact C-N 3.29Å; L1803-N1805 PolarHBondContact O-N 3.14Å; N1805-K1808 WeakPolarHBondContact O-CB 3.3Å |
| 1806 | G | 61.3 | Low | 61.4 | Low | 36.75 Ų | 36.75 | 54.1 Ų | 54.1 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1802 L1803 M1804 P1809 | Q1802-G1806 PolarHBondContact O-N 3.24Å; L1803-G1806 CarbonylContact O-C 3.52Å; L1803-G1806 WeakPolarHBondContact O-CA 3.45Å; L1803-G1806 PolarHBondContact O-N 3.27Å; L1803-G1806 VanDerWaalsContact O-N 3.12Å; M1804-G1806 VanDerWaalsContact C-N 3.31Å; M1804-G1806 PolarHBondContact O-N 2.84Å; G1806-P1809 WeakPolarHBondContact O-CD 3.43Å |
| 1807 | L | 63.6 | Low | 60.6 | Low | 0.75 Ų | 0.75 | 57.8 Ų | 57.8 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -86.9 | -14.9 | 178.1 | -66.9 | 179.8 | 0 | 0 | 0 | 113.7 | L1803 M1804 P1809 W1810 T1811 I1831 L1856 P1860 | L1803-L1807 HydrophobicContact CD2-CD1 3.52Å; L1803-L1807 VanDerWaalsContact CD2-CD1 3.45Å; L1803-L1807 HydrophobicContact CD2-CG 4.31Å; L1803-L1807 HydrophobicContact CG-CD1 4.13Å; L1803-L1807 HydrophobicContact CG-CG 4.32Å; L1803-L1807 WeakPolarHBondContact O-CB 3.34Å; L1803-L1807 WeakPolarHBondContact O-CG 3.24Å; L1803-L1807 PolarHBondContact O-N 3.02Å; M1804-L1807 CarbonylContact O-C 3.58Å; M1804-L1807 PolarHBondContact O-N 3.13Å; L1807-P1809 VanDerWaalsContact C-CD 3.45Å; L1807-P1809 VanDerWaalsContact C-N 3.33Å; L1807-W1810 HydrophobicContact CD2-CE3 4.14Å; L1807-W1810 HydrophobicContact CD2-CZ3 4.5Å; L1807-W1810 WeakPolarHBondContact O-CA 3.39Å; L1807-W1810 VanDerWaalsContact O-CB 3.23Å; L1807-W1810 WeakPolarHBondContact O-CB 3.35Å; L1807-W1810 PolarHBondContact O-N 3.25Å; L1807-T1811 PolarHBondContact O-N 3.03Å; L1807-T1811 PolarHBondContact O-OG1 3.47Å; L1807-T1811 VanDerWaalsContact O-OG1 3.11Å; L1807-I1831 HydrophobicContact CD1-CD1 4.15Å; L1807-L1856 HydrophobicContact CD1-CD1 4.31Å; L1807-L1856 HydrophobicContact CD1-CD2 4.3Å; L1807-P1860 HydrophobicContact CD1-CB 4.19Å; L1807-P1860 HydrophobicContact CD2-CB 4.1Å |
| 1808 | K | 65.4 | Low | 59.8 | Low | 113.75 Ų | 113.75 | 63.2 Ų | 63.2 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -52.8 | -41.7 | -178.1 | -156.2 | 172.4 | -176.5 | 173.7 | 0 | 114.3 | M1804 N1805 W1810 T1811 N1812 | M1804-K1808 WeakPolarHBondContact O-CA 3.34Å; M1804-K1808 VanDerWaalsContact O-CB 3.29Å; M1804-K1808 WeakPolarHBondContact O-CB 3.41Å; M1804-K1808 PolarHBondContact O-N 3.1Å; N1805-K1808 WeakPolarHBondContact O-CB 3.3Å; K1808-W1810 VanDerWaalsContact C-N 3.28Å; K1808-W1810 PolarHBondContact O-N 3.19Å; K1808-T1811 WeakPolarHBondContact CA-OG1 3.32Å; K1808-T1811 PolarHBondContact O-OG1 3.28Å; K1808-T1811 VanDerWaalsContact O-OG1 3.09Å; K1808-N1812 VanDerWaalsContact O-CB 3.26Å; K1808-N1812 WeakPolarHBondContact O-CB 3.39Å; K1808-N1812 PolarHBondContact O-N 3.03Å; K1808-N1812 VanDerWaalsContact O-N 3.14Å; K1808-N1812 PolarHBondContact O-ND2 3.13Å; K1808-N1812 VanDerWaalsContact O-ND2 3.14Å |
| 1809 | P | 58.5 | Low | 58.6 | Low | 85.5 Ų | 85.5 | 64.6 Ų | 64.6 | 56% | 0.555 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.5 | -34.3 | 176 | -20.4 | 33 | 0 | 0 | 0 | 112.4 | G1806 L1807 E1813 | G1806-P1809 WeakPolarHBondContact O-CD 3.43Å; L1807-P1809 VanDerWaalsContact C-CD 3.45Å; L1807-P1809 VanDerWaalsContact C-N 3.33Å; P1809-E1813 WeakPolarHBondContact O-CB 3.22Å; P1809-E1813 PolarHBondContact O-N 2.96Å |
| 1810 | W | 59.3 | Low | 57.3 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -82.3 | -41.6 | -176.9 | 177.4 | 84.8 | 0 | 0 | 0 | 112.9 | L1807 K1808 N1812 E1813 L1814 F1815 I1831 L1859 P1860 L1990 | L1807-W1810 HydrophobicContact CD2-CE3 4.14Å; L1807-W1810 HydrophobicContact CD2-CZ3 4.5Å; L1807-W1810 WeakPolarHBondContact O-CA 3.39Å; L1807-W1810 VanDerWaalsContact O-CB 3.23Å; L1807-W1810 WeakPolarHBondContact O-CB 3.35Å; L1807-W1810 PolarHBondContact O-N 3.25Å; K1808-W1810 VanDerWaalsContact C-N 3.28Å; K1808-W1810 PolarHBondContact O-N 3.19Å; W1810-N1812 VanDerWaalsContact C-N 3.27Å; W1810-N1812 PolarHBondContact O-N 3.07Å; W1810-E1813 WeakPolarHBondContact O-CA 3.31Å; W1810-E1813 WeakPolarHBondContact O-CB 3.45Å; W1810-E1813 PolarHBondContact O-N 3.23Å; W1810-L1814 HydrophobicContact CD2-CD1 3.93Å; W1810-L1814 HydrophobicContact CD2-CG 4.48Å; W1810-L1814 HydrophobicContact CE3-CD1 4.36Å; W1810-L1814 HydrophobicContact CG-CD1 4.42Å; W1810-L1814 HydrophobicContact CH2-CD1 3.66Å; W1810-L1814 HydrophobicContact CZ2-CD1 3.01Å; W1810-L1814 HydrophobicContact CZ2-CG 4.34Å; W1810-L1814 HydrophobicContact CZ3-CD1 4.27Å; W1810-L1814 VanDerWaalsContact NE1-CD1 3.29Å; W1810-L1814 PolarHBondContact O-N 3.28Å; W1810-L1814 VanDerWaalsContact O-N 3.1Å; W1810-F1815 HydrophobicContact CH2-CE2 4.27Å; W1810-F1815 HydrophobicContact CH2-CZ 4.46Å; W1810-F1815 AromaticContact CZ3-CE2 3.85Å; W1810-F1815 HydrophobicContact CZ3-CE2 3.96Å; W1810-F1815 HydrophobicContact CZ3-CZ 4.49Å; W1810-I1831 HydrophobicContact CE3-CD1 4.21Å; W1810-I1831 HydrophobicContact CH2-CD1 4.23Å; W1810-I1831 HydrophobicContact CH2-CG1 4.11Å; W1810-I1831 HydrophobicContact CZ3-CD1 3.92Å; W1810-I1831 HydrophobicContact CZ3-CG1 3.86Å; W1810-L1859 HydrophobicContact CH2-CB 4.22Å; W1810-L1859 HydrophobicContact CH2-CG 4.4Å; W1810-L1859 HydrophobicContact CZ2-CB 3.88Å; W1810-L1859 VanDerWaalsContact CZ2-CB 3.45Å; W1810-L1859 HydrophobicContact CZ2-CD2 3.98Å; W1810-L1859 HydrophobicContact CZ2-CG 4.02Å; W1810-P1860 HydrophobicContact CD2-CG 4.33Å; W1810-P1860 HydrophobicContact CE3-CB 4.4Å; W1810-P1860 HydrophobicContact CE3-CG 4.24Å; W1810-P1860 HydrophobicContact CH2-CB 3.59Å; W1810-P1860 HydrophobicContact CH2-CG 3.45Å; W1810-P1860 VanDerWaalsContact CH2-CG 3.43Å; W1810-P1860 VanDerWaalsContact CH2-N 3.27Å; W1810-P1860 HydrophobicContact CZ2-CG 3.91Å; W1810-P1860 VanDerWaalsContact CZ2-CG 3.48Å; W1810-P1860 HydrophobicContact CZ3-CB 3.48Å; W1810-P1860 VanDerWaalsContact CZ3-CB 3.48Å; W1810-P1860 HydrophobicContact CZ3-CG 3.75Å; W1810-P1860 VanDerWaalsContact CZ3-CG 3.48Å; W1810-L1990 HydrophobicContact CZ2-CD2 4.13Å |
| 1811 | T | 59.2 | Low | 55.8 | Low | 22.25 Ų | 22.25 | 76.4 Ų | 76.4 | 14% | 0.137 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 174.3 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | L1807 K1808 E1813 F1815 I1831 | L1807-T1811 PolarHBondContact O-N 3.03Å; L1807-T1811 PolarHBondContact O-OG1 3.47Å; L1807-T1811 VanDerWaalsContact O-OG1 3.11Å; K1808-T1811 WeakPolarHBondContact CA-OG1 3.32Å; K1808-T1811 PolarHBondContact O-OG1 3.28Å; K1808-T1811 VanDerWaalsContact O-OG1 3.09Å; T1811-E1813 VanDerWaalsContact C-N 3.3Å; T1811-E1813 PolarHBondContact O-N 3.03Å; T1811-F1815 HydrophobicContact CG2-CD2 4.3Å; T1811-F1815 HydrophobicContact CG2-CE2 4.24Å; T1811-F1815 VanDerWaalsContact O-CB 3.28Å; T1811-F1815 WeakPolarHBondContact O-CB 3.29Å; T1811-F1815 VanDerWaalsContact O-CD2 3.29Å; T1811-F1815 WeakPolarHBondContact O-CD2 3.44Å; T1811-F1815 PolarHBondContact O-N 3.02Å; T1811-F1815 VanDerWaalsContact O-N 3.09Å; T1811-I1831 HydrophobicContact CG2-CD1 4.26Å |
| 1812 | N | 61.1 | Low | 54.3 | Low | 93 Ų | 93 | 77.7 Ų | 77.7 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -29.6 | 173.7 | -67 | -14.4 | 0 | 0 | 0 | 112.8 | K1808 W1810 T1816 Q1827 | K1808-N1812 VanDerWaalsContact O-CB 3.26Å; K1808-N1812 WeakPolarHBondContact O-CB 3.39Å; K1808-N1812 PolarHBondContact O-N 3.03Å; K1808-N1812 VanDerWaalsContact O-N 3.14Å; K1808-N1812 PolarHBondContact O-ND2 3.13Å; K1808-N1812 VanDerWaalsContact O-ND2 3.14Å; W1810-N1812 VanDerWaalsContact C-N 3.27Å; W1810-N1812 PolarHBondContact O-N 3.07Å; N1812-T1816 VanDerWaalsContact O-CG2 3.24Å; N1812-T1816 WeakPolarHBondContact O-CG2 3.33Å; N1812-T1816 PolarHBondContact O-N 3.22Å; N1812-Q1827 PolarHBondContact OD1-OE1 3.13Å |
| 1813 | E | 57.1 | Low | 52.5 | Low | 29.5 Ų | 29.5 | 75.5 Ų | 75.5 | 14% | 0.138 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -77.7 | -44.4 | -178.4 | 176.5 | 172.6 | -161.4 | 0 | 0 | 113.3 | P1809 W1810 T1811 T1816 P1991 K1992 | P1809-E1813 WeakPolarHBondContact O-CB 3.22Å; P1809-E1813 PolarHBondContact O-N 2.96Å; W1810-E1813 WeakPolarHBondContact O-CA 3.31Å; W1810-E1813 WeakPolarHBondContact O-CB 3.45Å; W1810-E1813 PolarHBondContact O-N 3.23Å; T1811-E1813 VanDerWaalsContact C-N 3.3Å; T1811-E1813 PolarHBondContact O-N 3.03Å; E1813-T1816 WeakPolarHBondContact O-CG2 3.48Å; E1813-T1816 PolarHBondContact O-OG1 2.85Å; E1813-P1991 VanDerWaalsContact OE1-CD 3.27Å; E1813-P1991 WeakPolarHBondContact OE1-CD 3.02Å; E1813-P1991 VanDerWaalsContact OE1-CG 3.27Å; E1813-P1991 WeakPolarHBondContact OE1-CG 3.4Å; E1813-K1992 HydrophobicContact CB-CD 4.17Å; E1813-K1992 VanDerWaalsContact CD-CB 3.41Å; E1813-K1992 VanDerWaalsContact CD-CD 3.45Å; E1813-K1992 HydrophobicContact CG-CB 4.28Å; E1813-K1992 HydrophobicContact CG-CD 3.71Å; E1813-K1992 HydrophobicContact CG-CG 4.26Å; E1813-K1992 WeakPolarHBondContact OE1-CA 3.26Å; E1813-K1992 VanDerWaalsContact OE1-CB 3.24Å; E1813-K1992 WeakPolarHBondContact OE1-CB 3.4Å; E1813-K1992 VanDerWaalsContact OE1-CD 3.31Å; E1813-K1992 WeakPolarHBondContact OE1-CD 3.36Å; E1813-K1992 VanDerWaalsContact OE1-CE 3.27Å; E1813-K1992 WeakPolarHBondContact OE1-CE 3.28Å; E1813-K1992 WeakPolarHBondContact OE1-CG 3.36Å; E1813-K1992 PolarHBondContact OE1-N 3.05Å; E1813-K1992 VanDerWaalsContact OE1-N 3.15Å; E1813-K1992 IonicContact OE1-NZ 2.85Å; E1813-K1992 WeakPolarHBondContact OE2-CB 3.11Å; E1813-K1992 WeakPolarHBondContact OE2-CD 3.02Å |
| 1814 | L | 53.8 | Low | 51 | Low | 50 Ų | 50 | 81.9 Ų | 81.9 | 26% | 0.262 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -85.9 | -29.5 | -177.2 | -71.2 | 177.6 | 0 | 0 | 0 | 113.5 | P1720 W1810 T1816 L1859 | P1720-L1814 HydrophobicContact CB-CB 3.96Å; P1720-L1814 HydrophobicContact CB-CD1 3.83Å; P1720-L1814 HydrophobicContact CB-CD2 4.15Å; P1720-L1814 HydrophobicContact CB-CG 4.19Å; P1720-L1814 HydrophobicContact CG-CB 4.41Å; P1720-L1814 HydrophobicContact CG-CD2 4.03Å; W1810-L1814 HydrophobicContact CD2-CD1 3.93Å; W1810-L1814 HydrophobicContact CD2-CG 4.48Å; W1810-L1814 HydrophobicContact CE3-CD1 4.36Å; W1810-L1814 HydrophobicContact CG-CD1 4.42Å; W1810-L1814 HydrophobicContact CH2-CD1 3.66Å; W1810-L1814 HydrophobicContact CZ2-CD1 3.01Å; W1810-L1814 HydrophobicContact CZ2-CG 4.34Å; W1810-L1814 HydrophobicContact CZ3-CD1 4.27Å; W1810-L1814 VanDerWaalsContact NE1-CD1 3.29Å; W1810-L1814 PolarHBondContact O-N 3.28Å; W1810-L1814 VanDerWaalsContact O-N 3.1Å; L1814-T1816 PolarHBondContact O-N 3Å; L1814-L1859 HydrophobicContact CD1-CD2 4.11Å; L1814-L1859 HydrophobicContact CD2-CD2 4.21Å |
| 1815 | F | 54.6 | Low | 49.4 | Very low | 56.75 Ų | 56.75 | 85.4 Ų | 85.4 | 25% | 0.249 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -104 | 33 | -178.4 | -53.9 | -75.2 | 0 | 0 | 0 | 112.1 | W1810 T1811 M1828 S1830 I1831 | W1810-F1815 HydrophobicContact CH2-CE2 4.27Å; W1810-F1815 HydrophobicContact CH2-CZ 4.46Å; W1810-F1815 AromaticContact CZ3-CE2 3.85Å; W1810-F1815 HydrophobicContact CZ3-CE2 3.96Å; W1810-F1815 HydrophobicContact CZ3-CZ 4.49Å; T1811-F1815 HydrophobicContact CG2-CD2 4.3Å; T1811-F1815 HydrophobicContact CG2-CE2 4.24Å; T1811-F1815 VanDerWaalsContact O-CB 3.28Å; T1811-F1815 WeakPolarHBondContact O-CB 3.29Å; T1811-F1815 VanDerWaalsContact O-CD2 3.29Å; T1811-F1815 WeakPolarHBondContact O-CD2 3.44Å; T1811-F1815 PolarHBondContact O-N 3.02Å; T1811-F1815 VanDerWaalsContact O-N 3.09Å; F1815-M1828 HydrophobicContact CD1-CB 4.29Å; F1815-M1828 WeakPolarHBondContact CD1-O 3.21Å; F1815-M1828 HydrophobicContact CE1-CB 4.07Å; F1815-M1828 HydrophobicContact CE1-CE 4.22Å; F1815-M1828 VanDerWaalsContact CE1-O 3.31Å; F1815-M1828 WeakPolarHBondContact CE1-O 3.43Å; F1815-S1830 WeakPolarHBondContact CD2-OG 3.07Å; F1815-S1830 WeakPolarHBondContact CE2-OG 3.45Å; F1815-I1831 HydrophobicContact CE2-CG1 4.42Å |
| 1816 | T | 50.7 | Low | 48 | Very low | 60.5 Ų | 60.5 | 88.6 Ų | 88.6 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | trans | -64.2 | 142 | 170.7 | 42.4 | 0 | 0 | 0 | 0 | 111.5 | N1812 E1813 L1814 E1818 N1819 | N1812-T1816 VanDerWaalsContact O-CG2 3.24Å; N1812-T1816 WeakPolarHBondContact O-CG2 3.33Å; N1812-T1816 PolarHBondContact O-N 3.22Å; E1813-T1816 WeakPolarHBondContact O-CG2 3.48Å; E1813-T1816 PolarHBondContact O-OG1 2.85Å; L1814-T1816 PolarHBondContact O-N 3Å; T1816-E1818 VanDerWaalsContact C-N 3.3Å; T1816-E1818 PolarHBondContact O-N 3.04Å; T1816-E1818 VanDerWaalsContact O-N 3.08Å; T1816-N1819 PolarHBondContact O-N 3.24Å; T1816-N1819 VanDerWaalsContact O-N 3.12Å; T1816-N1819 PolarHBondContact OG1-ND2 3.13Å | ||
| 1817 | S | 44.7 | Very low | 46.9 | Very low | 96 Ų | 96 | 94.1 Ų | 94.1 | 67% | 0.671 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -59.6 | -21.2 | -176.4 | 44 | 0 | 0 | 0 | 0 | 115.1 | N1819 M1820 | S1817-N1819 VanDerWaalsContact C-N 3.31Å; S1817-N1819 PolarHBondContact O-N 3.13Å; S1817-M1820 PolarHBondContact O-N 3.25Å; S1817-M1820 VanDerWaalsContact O-N 3.16Å |
| 1818 | E | 44.7 | Very low | 45.6 | Very low | 172 Ų | 172 | 98.7 Ų | 98.7 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -66.6 | -23.1 | -179.4 | -70.5 | -172.8 | 159.7 | 0 | 0 | 113.7 | T1816 M1820 | T1816-E1818 VanDerWaalsContact C-N 3.3Å; T1816-E1818 PolarHBondContact O-N 3.04Å; T1816-E1818 VanDerWaalsContact O-N 3.08Å; E1818-M1820 VanDerWaalsContact C-N 3.28Å; E1818-M1820 PolarHBondContact O-N 3.1Å |
| 1819 | N | 40.4 | Very low | 44.7 | Very low | 119.25 Ų | 119.25 | 100.2 Ų | 100.2 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -92.8 | -2.3 | 174.8 | -74.2 | -27.1 | 0 | 0 | 0 | 113.6 | T1816 S1817 | T1816-N1819 PolarHBondContact O-N 3.24Å; T1816-N1819 VanDerWaalsContact O-N 3.12Å; T1816-N1819 PolarHBondContact OG1-ND2 3.13Å; S1817-N1819 VanDerWaalsContact C-N 3.31Å; S1817-N1819 PolarHBondContact O-N 3.13Å |
| 1820 | M | 35.1 | Very low | 44.6 | Very low | 102.5 Ų | 102.5 | 98.3 Ų | 98.3 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -101.4 | 21.5 | -179.4 | -79 | -137.3 | 159.2 | 0 | 0 | 113.3 | S1817 E1818 S1822 M1828 Q1829 | S1817-M1820 PolarHBondContact O-N 3.25Å; S1817-M1820 VanDerWaalsContact O-N 3.16Å; E1818-M1820 VanDerWaalsContact C-N 3.28Å; E1818-M1820 PolarHBondContact O-N 3.1Å; M1820-S1822 PolarHBondContact O-N 3.13Å; M1820-M1828 HydrophobicContact CE-CB 4.01Å; M1820-Q1829 HydrophobicContact CE-CG 4.01Å |
| 1821 | M | 32.9 | Very low | 44.6 | Very low | 186.5 Ų | 186.5 | 98.4 Ų | 98.4 | 92% | 0.919 | 52% | 0.521 | S | S | * | . | trans | -74.5 | 12.4 | -179.9 | -99.7 | -176.2 | 80.5 | 0 | 0 | 114.7 | ||||
| 1822 | S | 34.5 | Very low | 44.8 | Very low | 88.75 Ų | 88.75 | 99.5 Ų | 99.5 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -126.1 | 100.9 | 171.8 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | M1820 | M1820-S1822 PolarHBondContact O-N 3.13Š|
| 1823 | S | 29.8 | Very low | 45 | Very low | 96.75 Ų | 96.75 | 95.1 Ų | 95.1 | 68% | 0.677 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 59.7 | 112.7 | 153.7 | -39.4 | 0 | 0 | 0 | 0 | 119 | D1825 | S1823-D1825 VanDerWaalsContact C-N 3.26Å; S1823-D1825 PolarHBondContact O-N 3.39Å |
| 1824 | I | 31.7 | Very low | 45.5 | Very low | 149 Ų | 149 | 94.6 Ų | 94.6 | 76% | 0.764 | 50% | 0.502 | S | S | * | . | trans | 49.8 | 83.1 | 156.7 | -56 | 167.3 | 0 | 0 | 0 | 115.1 | H1826 | I1824-H1826 VanDerWaalsContact C-N 3.31Å; I1824-H1826 PolarHBondContact O-N 2.68Å | ||
| 1825 | D | 32.5 | Very low | 45.9 | Very low | 125 Ų | 125 | 95 Ų | 95 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | trans | 114.9 | 94.8 | 160.5 | -68.6 | -26.5 | 0 | 0 | 0 | 116.9 | S1823 Q1827 | S1823-D1825 VanDerWaalsContact C-N 3.26Å; S1823-D1825 PolarHBondContact O-N 3.39Å; D1825-Q1827 PolarHBondContact O-N 3.16Å; D1825-Q1827 VanDerWaalsContact O-N 3.15Å | ||
| 1826 | H | 37.6 | Very low | 46.5 | Very low | 168.5 Ų | 168.5 | 93.4 Ų | 93.4 | 78% | 0.78 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 13.3 | 176.5 | -77 | -70.2 | 0 | 0 | 0 | 114.8 | I1824 M1828 Q1829 | I1824-H1826 VanDerWaalsContact C-N 3.31Å; I1824-H1826 PolarHBondContact O-N 2.68Å; H1826-M1828 VanDerWaalsContact C-N 3.27Å; H1826-M1828 PolarHBondContact O-N 3.28Å; H1826-Q1829 PolarHBondContact ND1-OE1 3.23Å; H1826-Q1829 WeakPolarHBondContact O-CB 3.39Å; H1826-Q1829 PolarHBondContact O-N 2.93Å |
| 1827 | Q | 36.9 | Very low | 47.2 | Very low | 152.75 Ų | 152.75 | 98.1 Ų | 98.1 | 71% | 0.714 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8 | -175.2 | -80.2 | -172.7 | -22.4 | 0 | 0 | 115.3 | N1812 D1825 Q1829 S1830 | N1812-Q1827 PolarHBondContact OD1-OE1 3.13Å; D1825-Q1827 PolarHBondContact O-N 3.16Å; D1825-Q1827 VanDerWaalsContact O-N 3.15Å; Q1827-Q1829 PolarHBondContact O-N 3.35Å; Q1827-S1830 PolarHBondContact O-N 3.38Å |
| 1828 | M | 37.1 | Very low | 48.4 | Very low | 96.75 Ų | 96.75 | 94.3 Ų | 94.3 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | trans | -95.9 | 37.2 | -178 | -78.2 | -163.7 | 137.9 | 0 | 0 | 114.1 | R1721 F1815 M1820 H1826 | R1721-M1828 HydrophobicContact CB-CE 4.31Å; R1721-M1828 HydrophobicContact CG-CE 3.88Å; R1721-M1828 HydrophobicContact CG-SD 4.48Å; F1815-M1828 HydrophobicContact CD1-CB 4.29Å; F1815-M1828 WeakPolarHBondContact CD1-O 3.21Å; F1815-M1828 HydrophobicContact CE1-CB 4.07Å; F1815-M1828 HydrophobicContact CE1-CE 4.22Å; F1815-M1828 VanDerWaalsContact CE1-O 3.31Å; F1815-M1828 WeakPolarHBondContact CE1-O 3.43Å; M1820-M1828 HydrophobicContact CE-CB 4.01Å; H1826-M1828 VanDerWaalsContact C-N 3.27Å; H1826-M1828 PolarHBondContact O-N 3.28Å | ||
| 1829 | Q | 47.4 | Very low | 49.5 | Very low | 144.5 Ų | 144.5 | 88.6 Ų | 88.6 | 68% | 0.675 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -98.9 | -2.8 | 175.4 | -77.3 | -175.8 | -11.3 | 0 | 0 | 114.5 | D1782 M1820 H1826 Q1827 I1831 | D1782-Q1829 PolarHBondContact OD2-NE2 3.03Å; M1820-Q1829 HydrophobicContact CE-CG 4.01Å; H1826-Q1829 PolarHBondContact ND1-OE1 3.23Å; H1826-Q1829 WeakPolarHBondContact O-CB 3.39Å; H1826-Q1829 PolarHBondContact O-N 2.93Å; Q1827-Q1829 PolarHBondContact O-N 3.35Å; Q1829-I1831 PolarHBondContact O-N 3.5Å |
| 1830 | S | 54.6 | Low | 50.6 | Low | 45.25 Ų | 45.25 | 90.3 Ų | 90.3 | 32% | 0.316 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -117.8 | 140.4 | -176.1 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | D1782 F1815 Q1827 P1832 | D1782-S1830 PolarHBondContact OD1-OG 3.03Å; F1815-S1830 WeakPolarHBondContact CD2-OG 3.07Å; F1815-S1830 WeakPolarHBondContact CE2-OG 3.45Å; Q1827-S1830 PolarHBondContact O-N 3.38Å; S1830-P1832 WeakPolarHBondContact O-CD 3.43Å |
| 1831 | I | 60.8 | Low | 51.9 | Low | 11.75 Ų | 11.75 | 88.5 Ų | 88.5 | 6% | 0.06 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 120.5 | 170 | -60.9 | 170.4 | 0 | 0 | 0 | 106.8 | M1725 L1783 L1807 W1810 T1811 F1815 Q1829 V1833 P1860 | M1725-I1831 HydrophobicContact CB-CG2 4.16Å; L1783-I1831 HydrophobicContact CD1-CB 4.43Å; L1807-I1831 HydrophobicContact CD1-CD1 4.15Å; W1810-I1831 HydrophobicContact CE3-CD1 4.21Å; W1810-I1831 HydrophobicContact CH2-CD1 4.23Å; W1810-I1831 HydrophobicContact CH2-CG1 4.11Å; W1810-I1831 HydrophobicContact CZ3-CD1 3.92Å; W1810-I1831 HydrophobicContact CZ3-CG1 3.86Å; T1811-I1831 HydrophobicContact CG2-CD1 4.26Å; F1815-I1831 HydrophobicContact CE2-CG1 4.42Å; Q1829-I1831 PolarHBondContact O-N 3.5Å; I1831-V1833 WeakPolarHBondContact O-CG2 3.36Å; I1831-V1833 PolarHBondContact O-N 3.12Å; I1831-P1860 HydrophobicContact CD1-CB 4.35Å; I1831-P1860 HydrophobicContact CD1-CG 4.1Å |
| 1832 | P | 63.6 | Low | 53.7 | Low | 43.75 Ų | 43.75 | 80.4 Ų | 80.4 | 28% | 0.284 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 129.8 | 179 | 24.3 | -33.4 | 0 | 0 | 0 | 110.4 | S1723 V1724 M1725 F1780 S1830 | S1723-P1832 WeakPolarHBondContact O-CD 3.41Å; S1723-P1832 WeakPolarHBondContact O-CG 3.41Å; V1724-P1832 HydrophobicContact CB-CG 4.5Å; V1724-P1832 HydrophobicContact CG1-CG 4.46Å; V1724-P1832 WeakPolarHBondContact CG1-O 3.39Å; V1724-P1832 HydrophobicContact CG2-CG 4.1Å; M1725-P1832 PolarHBondContact N-O 3.23Å; M1725-P1832 VanDerWaalsContact N-O 3.12Å; F1780-P1832 HydrophobicContact CD1-CB 4.11Å; F1780-P1832 HydrophobicContact CE1-CB 3.96Å; S1830-P1832 WeakPolarHBondContact O-CD 3.43Å |
| 1833 | V | 64.9 | Low | 55.6 | Low | 2.25 Ų | 2.25 | 77.7 Ų | 77.7 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.7 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | M1725 F1727 V1781 L1783 I1786 I1831 | M1725-V1833 HydrophobicContact CB-CG2 4.1Å; M1725-V1833 HydrophobicContact CG-CG2 4.38Å; M1725-V1833 CarbonylContact O-C 3.59Å; M1725-V1833 WeakPolarHBondContact O-CA 3.35Å; M1725-V1833 HydrophobicContact SD-CG2 4.26Å; F1727-V1833 HydrophobicContact CD2-CG1 3.51Å; F1727-V1833 HydrophobicContact CE2-CG1 3.55Å; F1727-V1833 VanDerWaalsContact CE2-CG1 3.5Å; V1781-V1833 PolarHBondContact N-O 3.29Å; V1781-V1833 VanDerWaalsContact N-O 3.15Å; L1783-V1833 HydrophobicContact CD1-CG2 3.83Å; L1783-V1833 HydrophobicContact CD2-CB 4.42Å; L1783-V1833 HydrophobicContact CD2-CG1 4.2Å; L1783-V1833 HydrophobicContact CD2-CG2 3.59Å; L1783-V1833 VanDerWaalsContact CD2-CG2 3.49Å; L1783-V1833 HydrophobicContact CG-CB 4.1Å; L1783-V1833 HydrophobicContact CG-CG1 4.39Å; L1783-V1833 HydrophobicContact CG-CG2 3.39Å; L1783-V1833 VanDerWaalsContact CG-CG2 3.42Å; I1786-V1833 HydrophobicContact CD1-CG1 3.91Å; I1831-V1833 WeakPolarHBondContact O-CG2 3.36Å; I1831-V1833 PolarHBondContact O-N 3.12Å |
| 1834 | R | 66.3 | Low | 57.9 | Low | 18.75 Ų | 18.75 | 74 Ų | 74 | 7% | 0.071 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.3 | 177.5 | -64.9 | -167.3 | -177.2 | 173 | 6.5 | 111.2 | V1724 M1725 F1726 F1727 I1773 E1778 F1780 S1836 | V1724-R1834 HydrophobicContact CG1-CG 4.06Å; M1725-R1834 PolarHBondContact O-N 3.11Å; F1726-R1834 CarbonylContact C-O 3.36Å; F1726-R1834 VanDerWaalsContact CA-O 3.28Å; F1726-R1834 WeakPolarHBondContact CA-O 3.31Å; F1726-R1834 HydrophobicContact CD1-CB 3.8Å; F1726-R1834 HydrophobicContact CE1-CB 3.87Å; F1726-R1834 HydrophobicContact CE1-CG 4.37Å; F1726-R1834 HydrophobicContact CG-CB 4.5Å; F1727-R1834 PolarHBondContact N-O 3.08Å; I1773-R1834 VanDerWaalsContact CB-NH2 3.35Å; I1773-R1834 PolarHBondContact O-NH1 3.18Å; I1773-R1834 PolarHBondContact O-NH2 3.17Å; E1778-R1834 WeakPolarHBondContact OE2-CD 3.15Å; E1778-R1834 IonicContact OE2-CZ 3.5Å; E1778-R1834 IonicContact OE2-NE 3.28Å; E1778-R1834 IonicContact OE2-NH1 3.15Å; E1778-R1834 PolarHBondContact OE2-NH1 3.18Å; E1778-R1834 VanDerWaalsContact OE2-NH1 3.12Å; F1780-R1834 HydrophobicContact CD1-CG 4.5Å; R1834-S1836 VanDerWaalsContact C-N 3.31Å; R1834-S1836 PolarHBondContact O-N 3.07Å |
| 1835 | V | 63.2 | Low | 60.3 | Low | 57 Ų | 57 | 66.9 Ų | 66.9 | 35% | 0.345 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -94.9 | 65.1 | 172.7 | -169.4 | 0 | 0 | 0 | 0 | 109 | F1727 F1734 V1781 I1786 | F1727-V1835 CarbonylContact O-C 3.49Å; F1727-V1835 VanDerWaalsContact O-CA 3.27Å; F1727-V1835 WeakPolarHBondContact O-CA 3.29Å; F1734-V1835 HydrophobicContact CD2-CG1 4.12Å; F1734-V1835 HydrophobicContact CE2-CG1 3.99Å; F1734-V1835 HydrophobicContact CZ-CG1 4.36Å; V1781-V1835 HydrophobicContact CB-CG2 4.26Å; V1781-V1835 HydrophobicContact CG2-CG2 3.89Å; I1786-V1835 HydrophobicContact CD1-CG2 4.05Å |
| 1836 | S | 66.6 | Low | 62.6 | Low | 23 Ų | 23 | 61.1 Ų | 61.1 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -144.5 | 164.3 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | F1726 F1727 R1834 | F1726-S1836 WeakPolarHBondContact CD1-O 3.39Å; F1726-S1836 WeakPolarHBondContact CD1-OG 3.21Å; F1726-S1836 WeakPolarHBondContact CE1-OG 3.37Å; F1727-S1836 PolarHBondContact O-N 3.23Å; F1727-S1836 VanDerWaalsContact O-N 3.15Å; R1834-S1836 VanDerWaalsContact C-N 3.31Å; R1834-S1836 PolarHBondContact O-N 3.07Å |
| 1837 | K | 65.2 | Low | 64.7 | Low | 159.5 Ų | 159.5 | 54.6 Ų | 54.6 | 69% | 0.693 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 135.8 | 173.1 | -72.6 | -176.4 | 179.3 | 177 | 0 | 108.8 | P1728 | P1728-K1837 HydrophobicContact CB-CG 4.3Š|
| 1838 | P | 69.5 | Low | 66.7 | Low | 16.75 Ų | 16.75 | 49.2 Ų | 49.2 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 145.8 | 178.3 | 26.7 | -36.8 | 0 | 0 | 0 | 111 | P1682 F1726 K1840 Y1855 I1857 | P1682-P1838 HydrophobicContact CB-CB 4.23Å; P1682-P1838 HydrophobicContact CB-CG 4.22Å; P1682-P1838 HydrophobicContact CG-CB 4.13Å; P1682-P1838 HydrophobicContact CG-CG 3.64Å; F1726-P1838 HydrophobicContact CB-CB 4.36Å; F1726-P1838 HydrophobicContact CD1-CB 4.48Å; F1726-P1838 HydrophobicContact CD2-CB 4.12Å; F1726-P1838 HydrophobicContact CG-CB 4.12Å; P1838-K1840 PolarHBondContact O-N 3.17Å; P1838-Y1855 HydrophobicContact CB-CG 4.44Å; P1838-Y1855 HydrophobicContact CG-CD1 3.99Å; P1838-Y1855 HydrophobicContact CG-CD2 3.75Å; P1838-Y1855 HydrophobicContact CG-CE1 4.29Å; P1838-Y1855 HydrophobicContact CG-CE2 4.07Å; P1838-Y1855 HydrophobicContact CG-CG 3.72Å; P1838-I1857 HydrophobicContact CB-CD1 3.91Å |
| 1839 | P | 68.2 | Low | 68.5 | Low | 52.25 Ų | 52.25 | 46.3 Ų | 46.3 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 132.7 | 177.1 | 14.2 | -19.7 | 0 | 0 | 0 | 110.6 | F1726 N1841 T1842 I1857 | F1726-P1839 HydrophobicContact CE2-CG 4.24Å; F1726-P1839 HydrophobicContact CZ-CG 4.23Å; P1839-N1841 VanDerWaalsContact CB-OD1 3.24Å; P1839-N1841 WeakPolarHBondContact CB-OD1 3.23Å; P1839-N1841 PolarHBondContact O-N 2.99Å; P1839-N1841 VanDerWaalsContact O-N 3.12Å; P1839-T1842 HydrophobicContact CB-CG2 4.12Å; P1839-T1842 HydrophobicContact CG-CG2 3.64Å; P1839-T1842 WeakPolarHBondContact O-CG2 3.42Å; P1839-I1857 HydrophobicContact CG-CD1 4.24Å |
| 1840 | K | 64.2 | Low | 69.5 | Low | 155.25 Ų | 155.25 | 45.8 Ų | 45.8 | 68% | 0.675 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.7 | -178.8 | -68.2 | -176.3 | 178.1 | -179.6 | 0 | 113.7 | P1682 P1838 T1842 | P1682-K1840 WeakPolarHBondContact CD-O 3.47Å; P1682-K1840 WeakPolarHBondContact CG-O 3.24Å; P1838-K1840 PolarHBondContact O-N 3.17Å; K1840-T1842 PolarHBondContact O-N 2.73Å |
| 1841 | N | 62.8 | Low | 70.1 | Confident | 64.5 Ų | 64.5 | 50.3 Ų | 50.3 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 30.6 | -167.9 | -38.5 | -14.7 | 0 | 0 | 0 | 113.1 | L1660 T1661 P1839 T1843 | L1660-N1841 HydrophobicContact CB-CB 4.39Å; L1660-N1841 PolarHBondContact O-OD1 3.4Å; T1661-N1841 HydrophobicContact CG2-CB 3.82Å; T1661-N1841 VanDerWaalsContact CG2-ND2 3.32Å; T1661-N1841 WeakPolarHBondContact CG2-ND2 3.39Å; T1661-N1841 WeakPolarHBondContact CG2-OD1 3.46Å; P1839-N1841 VanDerWaalsContact CB-OD1 3.24Å; P1839-N1841 WeakPolarHBondContact CB-OD1 3.23Å; P1839-N1841 PolarHBondContact O-N 2.99Å; P1839-N1841 VanDerWaalsContact O-N 3.12Å; N1841-T1843 PolarHBondContact O-N 3.46Å |
| 1842 | T | 70.5 | Confident | 70.3 | Confident | 15.5 Ų | 15.5 | 50 Ų | 50 | 10% | 0.095 | 26% | 0.264 | C | S | . | . | trans | -80.2 | 124.6 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | G1683 P1839 K1840 M1844 V1846 I1857 | G1683-T1842 PolarHBondContact N-OG1 3.04Å; P1839-T1842 HydrophobicContact CB-CG2 4.12Å; P1839-T1842 HydrophobicContact CG-CG2 3.64Å; P1839-T1842 WeakPolarHBondContact O-CG2 3.42Å; K1840-T1842 PolarHBondContact O-N 2.73Å; T1842-M1844 VanDerWaalsContact C-N 3.31Å; T1842-V1846 WeakPolarHBondContact OG1-CG2 3.34Å; T1842-I1857 HydrophobicContact CG2-CD1 4.12Å; T1842-I1857 HydrophobicContact CG2-CG2 4.3Å | ||
| 1843 | T | 73.4 | Confident | 70.8 | Confident | 32.75 Ų | 32.75 | 50.6 Ų | 50.6 | 20% | 0.201 | 26% | 0.264 | C | S | . | . | trans | -76.4 | -22.3 | 168.6 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | L1656 L1660 W1686 I1769 N1841 | L1656-T1843 HydrophobicContact CD2-CG2 3.68Å; L1656-T1843 HydrophobicContact CG-CG2 3.99Å; L1660-T1843 HydrophobicContact CD1-CG2 3.74Å; W1686-T1843 PolarHBondContact NE1-O 3.26Å; I1769-T1843 HydrophobicContact CG2-CG2 4.43Å; N1841-T1843 PolarHBondContact O-N 3.46Å | ||
| 1844 | M | 77.9 | Confident | 71.3 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -67.5 | 152.6 | 178.3 | -64.7 | -114.6 | 134.3 | 0 | 0 | 111.8 | L1718 D1722 T1842 V1846 I1857 | L1718-M1844 HydrophobicContact CB-CE 4.34Å; L1718-M1844 HydrophobicContact CD2-CE 3.92Å; L1718-M1844 HydrophobicContact CD2-CG 4.37Å; L1718-M1844 HydrophobicContact CD2-SD 3.43Å; L1718-M1844 WeakPolarHBondContact CD2-SD 3.26Å; D1722-M1844 HydrophobicContact CB-CE 3.57Å; D1722-M1844 HydrophobicContact CB-SD 3.84Å; D1722-M1844 WeakPolarHBondContact OD2-CE 3.44Å; T1842-M1844 VanDerWaalsContact C-N 3.31Å; M1844-V1846 WeakPolarHBondContact O-CG2 3.45Å; M1844-V1846 PolarHBondContact O-N 3.39Å; M1844-I1857 HydrophobicContact CB-CG2 3.79Å; M1844-I1857 HydrophobicContact CG-CG2 4.48Å; M1844-I1857 HydrophobicContact SD-CG2 4.41Å |
| 1845 | P | 82.1 | Confident | 71.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -61.2 | 141.1 | 173.4 | 21.7 | -28.2 | 0 | 0 | 0 | 110.3 | W1686 L1718 I1857 G1858 A1861 L1862 L1865 | W1686-P1845 HydrophobicContact CD2-CB 3.93Å; W1686-P1845 HydrophobicContact CE3-CB 4.36Å; W1686-P1845 HydrophobicContact CG-CB 4.21Å; W1686-P1845 HydrophobicContact CH2-CB 4.38Å; W1686-P1845 HydrophobicContact CH2-CG 4.35Å; W1686-P1845 HydrophobicContact CZ2-CB 4.22Å; W1686-P1845 HydrophobicContact CZ2-CG 4.21Å; W1686-P1845 HydrophobicContact CZ3-CB 4.48Å; L1718-P1845 VanDerWaalsContact CD2-CD 3.48Å; L1718-P1845 HydrophobicContact CD2-CG 4.4Å; P1845-I1857 WeakPolarHBondContact O-CA 3.38Å; P1845-G1858 WeakPolarHBondContact CG-O 3.34Å; P1845-G1858 PolarHBondContact O-N 3.07Å; P1845-A1861 HydrophobicContact CB-CB 4.44Å; P1845-A1861 VanDerWaalsContact O-CB 3.27Å; P1845-A1861 WeakPolarHBondContact O-CB 3.45Å; P1845-L1862 HydrophobicContact CB-CB 4.12Å; P1845-L1862 HydrophobicContact CB-CD1 4.45Å; P1845-L1862 HydrophobicContact CG-CB 3.84Å; P1845-L1865 HydrophobicContact CB-CD1 4.23Å | ||
| 1846 | V | 81.9 | Confident | 72.7 | Confident | 3.5 Ų | 3.5 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.5 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 109 | P1682 T1842 M1844 Y1855 L1856 I1857 | P1682-V1846 HydrophobicContact CB-CB 4.44Å; P1682-V1846 HydrophobicContact CB-CG1 4.07Å; P1682-V1846 HydrophobicContact CB-CG2 4.2Å; P1682-V1846 HydrophobicContact CG-CG1 3.84Å; P1682-V1846 VanDerWaalsContact O-CB 3.29Å; P1682-V1846 WeakPolarHBondContact O-CB 3.4Å; P1682-V1846 WeakPolarHBondContact O-CG1 3.35Å; T1842-V1846 WeakPolarHBondContact OG1-CG2 3.34Å; M1844-V1846 WeakPolarHBondContact O-CG2 3.45Å; M1844-V1846 PolarHBondContact O-N 3.39Å; V1846-Y1855 HydrophobicContact CG1-CD1 4.17Å; V1846-L1856 CarbonylContact C-O 3.54Å; V1846-L1856 VanDerWaalsContact CA-O 3.26Å; V1846-L1856 WeakPolarHBondContact CA-O 3.37Å; V1846-L1856 WeakPolarHBondContact CG1-O 3.49Å; V1846-I1857 HydrophobicContact CG1-CG1 4.2Å; V1846-I1857 HydrophobicContact CG2-CB 4.47Å; V1846-I1857 HydrophobicContact CG2-CD1 4.33Å; V1846-I1857 HydrophobicContact CG2-CG1 4.06Å; V1846-I1857 HydrophobicContact CG2-CG2 4.27Å |
| 1847 | Y | 81.1 | Confident | 73.4 | Confident | 32.5 Ų | 32.5 | 48.7 Ų | 48.7 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.6 | 173.1 | 174.4 | -98.4 | 0 | 0 | 0 | 108.2 | D1849 F1854 Y1855 L1856 Q1864 L1865 S1868 | Y1847-D1849 HydrophobicContact CE1-CB 3.93Å; Y1847-F1854 HydrophobicContact CD1-CE2 4.13Å; Y1847-F1854 HydrophobicContact CD1-CZ 4.42Å; Y1847-F1854 HydrophobicContact CE1-CE2 4.26Å; Y1847-F1854 HydrophobicContact CE1-CZ 4.11Å; Y1847-Y1855 CarbonylContact O-C 3.54Å; Y1847-Y1855 VanDerWaalsContact O-CA 3.29Å; Y1847-Y1855 WeakPolarHBondContact O-CA 3.26Å; Y1847-L1856 HydrophobicContact CD1-CD1 4.3Å; Y1847-L1856 PolarHBondContact N-O 3.18Å; Y1847-L1856 PolarHBondContact O-N 3.26Å; Y1847-Q1864 HydrophobicContact CD1-CB 4.09Å; Y1847-Q1864 HydrophobicContact CD1-CG 3.45Å; Y1847-Q1864 VanDerWaalsContact CD1-CG 3.45Å; Y1847-Q1864 HydrophobicContact CD2-CB 4.31Å; Y1847-Q1864 HydrophobicContact CD2-CG 3.89Å; Y1847-Q1864 HydrophobicContact CE1-CB 4.44Å; Y1847-Q1864 HydrophobicContact CE1-CG 3.35Å; Y1847-Q1864 HydrophobicContact CE2-CG 3.81Å; Y1847-Q1864 HydrophobicContact CG-CB 3.99Å; Y1847-Q1864 HydrophobicContact CG-CG 3.71Å; Y1847-L1865 HydrophobicContact CD2-CD2 3.98Å; Y1847-L1865 HydrophobicContact CD2-CG 4.26Å; Y1847-S1868 WeakPolarHBondContact CE2-OG 3.35Å |
| 1848 | S | 78.4 | Confident | 74.2 | Confident | 37.75 Ų | 37.75 | 41.1 Ų | 41.1 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.6 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | Y1855 | S1848-Y1855 VanDerWaalsContact CB-CD1 3.49Å; S1848-Y1855 VanDerWaalsContact CB-CE1 3.46Å |
| 1849 | D | 75.4 | Confident | 74.7 | Confident | 35.75 Ų | 35.75 | 40.6 Ų | 40.6 | 19% | 0.191 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 108.5 | 168.3 | -170 | -17.8 | 0 | 0 | 0 | 109.1 | Y1847 N1851 A1852 N1853 F1854 | Y1847-D1849 HydrophobicContact CE1-CB 3.93Å; D1849-N1851 VanDerWaalsContact C-N 3.26Å; D1849-N1851 PolarHBondContact O-N 3.08Å; D1849-N1851 WeakPolarHBondContact OD1-CB 3.43Å; D1849-N1851 PolarHBondContact OD1-N 3.14Å; D1849-A1852 HydrophobicContact CB-CB 4.21Å; D1849-A1852 PolarHBondContact OD1-N 3.36Å; D1849-A1852 WeakPolarHBondContact OD2-CB 3.38Å; D1849-N1853 VanDerWaalsContact O-CA 3.25Å; D1849-N1853 WeakPolarHBondContact O-CA 3.39Å; D1849-N1853 PolarHBondContact O-N 3.02Å; D1849-F1854 HydrophobicContact CB-CD1 4.19Å; D1849-F1854 HydrophobicContact CB-CE1 3.58Å; D1849-F1854 VanDerWaalsContact CB-CE1 3.48Å; D1849-F1854 HydrophobicContact CB-CE2 4.14Å; D1849-F1854 HydrophobicContact CB-CZ 3.55Å; D1849-F1854 VanDerWaalsContact CB-CZ 3.42Å; D1849-F1854 PolarHBondContact N-O 3.2Å; D1849-F1854 VanDerWaalsContact N-O 3.11Å; D1849-F1854 PolarHBondContact O-N 3.16Å |
| 1850 | L | 68.6 | Low | 75.2 | Confident | 134.5 Ų | 134.5 | 38.1 Ų | 38.1 | 70% | 0.704 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -27.1 | 178.8 | -66.8 | 172.9 | 0 | 0 | 0 | 112.3 | ||
| 1851 | N | 67.4 | Low | 76.2 | Confident | 141.25 Ų | 141.25 | 30.8 Ų | 30.8 | 76% | 0.755 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -40.3 | -177.9 | -64.1 | -27.6 | 0 | 0 | 0 | 111.3 | D1849 | D1849-N1851 VanDerWaalsContact C-N 3.26Å; D1849-N1851 PolarHBondContact O-N 3.08Å; D1849-N1851 WeakPolarHBondContact OD1-CB 3.43Å; D1849-N1851 PolarHBondContact OD1-N 3.14Å |
| 1852 | A | 65.3 | Low | 77.3 | Confident | 5.5 Ų | 5.5 | 27.7 Ų | 27.7 | 5% | 0.045 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1796 N1799 D1849 F1854 | L1796-A1852 HydrophobicContact CD1-CB 4.31Å; L1796-A1852 WeakPolarHBondContact CD1-O 3.39Å; N1799-A1852 HydrophobicContact CB-CB 3.93Å; D1849-A1852 HydrophobicContact CB-CB 4.21Å; D1849-A1852 PolarHBondContact OD1-N 3.36Å; D1849-A1852 WeakPolarHBondContact OD2-CB 3.38Å; A1852-F1854 VanDerWaalsContact C-N 3.34Å; A1852-F1854 HydrophobicContact CB-CD1 3.44Å; A1852-F1854 VanDerWaalsContact CB-CD1 3.44Å; A1852-F1854 HydrophobicContact CB-CE1 3.39Å; A1852-F1854 VanDerWaalsContact CB-CE1 3.42Å; A1852-F1854 PolarHBondContact O-N 3.13Å |
| 1853 | N | 73.6 | Confident | 78 | Confident | 55.5 Ų | 55.5 | 27.6 Ų | 27.6 | 30% | 0.297 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.5 | 177.9 | -159.7 | 24.5 | 0 | 0 | 0 | 113.4 | P1728 A1730 D1849 | P1728-N1853 VanDerWaalsContact CD-O 3.26Å; P1728-N1853 WeakPolarHBondContact CD-O 3.39Å; P1728-N1853 VanDerWaalsContact CG-OD1 3.31Å; P1728-N1853 WeakPolarHBondContact CG-OD1 3.28Å; A1730-N1853 PolarHBondContact O-ND2 2.65Å; D1849-N1853 VanDerWaalsContact O-CA 3.25Å; D1849-N1853 WeakPolarHBondContact O-CA 3.39Å; D1849-N1853 PolarHBondContact O-N 3.02Å |
| 1854 | F | 76.5 | Confident | 78.4 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 159.5 | 172.2 | 73 | -96.7 | 0 | 0 | 0 | 111.3 | M1725 F1726 F1727 L1803 Y1847 D1849 A1852 L1856 | M1725-F1854 HydrophobicContact CE-CB 3.86Å; M1725-F1854 HydrophobicContact CE-CD1 4.17Å; M1725-F1854 HydrophobicContact CE-CD2 3.83Å; M1725-F1854 HydrophobicContact CE-CE2 4.29Å; M1725-F1854 HydrophobicContact CE-CG 3.67Å; M1725-F1854 HydrophobicContact CG-CD2 4.47Å; F1726-F1854 CarbonylContact O-C 3.5Å; F1726-F1854 VanDerWaalsContact O-CA 3.31Å; F1726-F1854 WeakPolarHBondContact O-CA 3.27Å; F1727-F1854 HydrophobicContact CD1-CB 3.84Å; F1727-F1854 HydrophobicContact CE1-CB 3.65Å; F1727-F1854 HydrophobicContact CG-CB 4.49Å; F1727-F1854 HydrophobicContact CZ-CB 4.18Å; L1803-F1854 HydrophobicContact CD1-CD1 4.21Å; L1803-F1854 HydrophobicContact CD1-CD2 4.16Å; L1803-F1854 HydrophobicContact CD1-CE1 3.73Å; L1803-F1854 VanDerWaalsContact CD1-CE1 3.43Å; L1803-F1854 HydrophobicContact CD1-CE2 3.42Å; L1803-F1854 HydrophobicContact CD1-CG 4.4Å; L1803-F1854 HydrophobicContact CD1-CZ 3.07Å; L1803-F1854 HydrophobicContact CG-CZ 4.43Å; Y1847-F1854 HydrophobicContact CD1-CE2 4.13Å; Y1847-F1854 HydrophobicContact CD1-CZ 4.42Å; Y1847-F1854 HydrophobicContact CE1-CE2 4.26Å; Y1847-F1854 HydrophobicContact CE1-CZ 4.11Å; D1849-F1854 HydrophobicContact CB-CD1 4.19Å; D1849-F1854 HydrophobicContact CB-CE1 3.58Å; D1849-F1854 VanDerWaalsContact CB-CE1 3.48Å; D1849-F1854 HydrophobicContact CB-CE2 4.14Å; D1849-F1854 HydrophobicContact CB-CZ 3.55Å; D1849-F1854 VanDerWaalsContact CB-CZ 3.42Å; D1849-F1854 PolarHBondContact N-O 3.2Å; D1849-F1854 VanDerWaalsContact N-O 3.11Å; D1849-F1854 PolarHBondContact O-N 3.16Å; A1852-F1854 VanDerWaalsContact C-N 3.34Å; A1852-F1854 HydrophobicContact CB-CD1 3.44Å; A1852-F1854 VanDerWaalsContact CB-CD1 3.44Å; A1852-F1854 HydrophobicContact CB-CE1 3.39Å; A1852-F1854 VanDerWaalsContact CB-CE1 3.42Å; A1852-F1854 PolarHBondContact O-N 3.13Å; F1854-L1856 HydrophobicContact CD2-CB 4.45Å; F1854-L1856 HydrophobicContact CD2-CG 4.02Å; F1854-L1856 HydrophobicContact CE2-CB 4.16Å; F1854-L1856 HydrophobicContact CE2-CD1 3.87Å; F1854-L1856 HydrophobicContact CE2-CG 3.73Å |
| 1855 | Y | 77.5 | Confident | 78.8 | Confident | 48.5 Ų | 48.5 | 26.9 Ų | 26.9 | 19% | 0.19 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.8 | 170.4 | -60.6 | -97.4 | 0 | 0 | 0 | 110.2 | P1682 M1725 F1726 P1728 P1838 V1846 Y1847 S1848 | P1682-Y1855 HydrophobicContact CG-CD1 3.68Å; P1682-Y1855 VanDerWaalsContact CG-CD1 3.46Å; P1682-Y1855 HydrophobicContact CG-CE1 3.73Å; P1682-Y1855 HydrophobicContact CG-CG 4.38Å; M1725-Y1855 CarbonylContact C-O 3.4Å; M1725-Y1855 WeakPolarHBondContact CA-O 3.36Å; F1726-Y1855 PolarHBondContact N-O 3.26Å; F1726-Y1855 PolarHBondContact O-N 3.33Å; P1728-Y1855 HydrophobicContact CB-CE2 4.34Å; P1728-Y1855 HydrophobicContact CG-CD2 4.36Å; P1728-Y1855 HydrophobicContact CG-CE2 3.89Å; P1838-Y1855 HydrophobicContact CB-CG 4.44Å; P1838-Y1855 HydrophobicContact CG-CD1 3.99Å; P1838-Y1855 HydrophobicContact CG-CD2 3.75Å; P1838-Y1855 HydrophobicContact CG-CE1 4.29Å; P1838-Y1855 HydrophobicContact CG-CE2 4.07Å; P1838-Y1855 HydrophobicContact CG-CG 3.72Å; V1846-Y1855 HydrophobicContact CG1-CD1 4.17Å; Y1847-Y1855 CarbonylContact O-C 3.54Å; Y1847-Y1855 VanDerWaalsContact O-CA 3.29Å; Y1847-Y1855 WeakPolarHBondContact O-CA 3.26Å; S1848-Y1855 VanDerWaalsContact CB-CD1 3.49Å; S1848-Y1855 VanDerWaalsContact CB-CE1 3.46Å |
| 1856 | L | 79.7 | Confident | 79 | Confident | 1.5 Ų | 1.5 | 26.9 Ų | 26.9 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.7 | 168.1 | -90.5 | 148.6 | 0 | 0 | 0 | 108.7 | M1725 L1803 L1807 V1846 Y1847 F1854 P1860 A1861 Q1864 | M1725-L1856 HydrophobicContact CB-CD1 4.5Å; M1725-L1856 HydrophobicContact CB-CD2 4.07Å; M1725-L1856 HydrophobicContact CG-CD2 4Å; M1725-L1856 HydrophobicContact SD-CD2 4.19Å; L1803-L1856 HydrophobicContact CD1-CD1 4.01Å; L1803-L1856 HydrophobicContact CD1-CD2 4.43Å; L1803-L1856 HydrophobicContact CD1-CG 4.42Å; L1807-L1856 HydrophobicContact CD1-CD1 4.31Å; L1807-L1856 HydrophobicContact CD1-CD2 4.3Å; V1846-L1856 CarbonylContact C-O 3.54Å; V1846-L1856 VanDerWaalsContact CA-O 3.26Å; V1846-L1856 WeakPolarHBondContact CA-O 3.37Å; V1846-L1856 WeakPolarHBondContact CG1-O 3.49Å; Y1847-L1856 HydrophobicContact CD1-CD1 4.3Å; Y1847-L1856 PolarHBondContact N-O 3.18Å; Y1847-L1856 PolarHBondContact O-N 3.26Å; F1854-L1856 HydrophobicContact CD2-CB 4.45Å; F1854-L1856 HydrophobicContact CD2-CG 4.02Å; F1854-L1856 HydrophobicContact CE2-CB 4.16Å; F1854-L1856 HydrophobicContact CE2-CD1 3.87Å; F1854-L1856 HydrophobicContact CE2-CG 3.73Å; L1856-P1860 HydrophobicContact CD1-CB 4.29Å; L1856-P1860 HydrophobicContact CD1-CG 4.32Å; L1856-P1860 HydrophobicContact CD2-CB 4.28Å; L1856-P1860 HydrophobicContact CG-CB 4.16Å; L1856-A1861 HydrophobicContact CB-CB 4Å; L1856-A1861 HydrophobicContact CD2-CB 4.48Å; L1856-A1861 HydrophobicContact CG-CB 4.02Å; L1856-A1861 VanDerWaalsContact O-CB 3.24Å; L1856-A1861 WeakPolarHBondContact O-CB 3.38Å; L1856-Q1864 HydrophobicContact CD1-CB 4.32Å; L1856-Q1864 HydrophobicContact CD1-CG 4.37Å; L1856-Q1864 HydrophobicContact CD2-CB 4.33Å |
| 1857 | I | 81.6 | Confident | 79.2 | Confident | 6.5 Ų | 6.5 | 29.8 Ų | 29.8 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.3 | 175.6 | -52 | -167.6 | 0 | 0 | 0 | 109.6 | S1723 V1724 F1726 P1838 P1839 T1842 M1844 P1845 V1846 | S1723-I1857 VanDerWaalsContact CA-O 3.27Å; S1723-I1857 WeakPolarHBondContact CA-O 3.44Å; S1723-I1857 WeakPolarHBondContact CB-O 3.49Å; V1724-I1857 PolarHBondContact N-O 2.97Å; V1724-I1857 VanDerWaalsContact N-O 3.17Å; V1724-I1857 PolarHBondContact O-N 3.21Å; F1726-I1857 HydrophobicContact CD2-CD1 3.7Å; F1726-I1857 HydrophobicContact CD2-CG1 4.06Å; F1726-I1857 HydrophobicContact CE2-CD1 3.52Å; F1726-I1857 VanDerWaalsContact CE2-CD1 3.45Å; F1726-I1857 HydrophobicContact CE2-CG1 4.16Å; F1726-I1857 HydrophobicContact CZ-CD1 4.44Å; P1838-I1857 HydrophobicContact CB-CD1 3.91Å; P1839-I1857 HydrophobicContact CG-CD1 4.24Å; T1842-I1857 HydrophobicContact CG2-CD1 4.12Å; T1842-I1857 HydrophobicContact CG2-CG2 4.3Å; M1844-I1857 HydrophobicContact CB-CG2 3.79Å; M1844-I1857 HydrophobicContact CG-CG2 4.48Å; M1844-I1857 HydrophobicContact SD-CG2 4.41Å; P1845-I1857 WeakPolarHBondContact O-CA 3.38Å; V1846-I1857 HydrophobicContact CG1-CG1 4.2Å; V1846-I1857 HydrophobicContact CG2-CB 4.47Å; V1846-I1857 HydrophobicContact CG2-CD1 4.33Å; V1846-I1857 HydrophobicContact CG2-CG1 4.06Å; V1846-I1857 HydrophobicContact CG2-CG2 4.27Å |
| 1858 | G | 82.1 | Confident | 79.3 | Confident | 0.75 Ų | 0.75 | 30.8 Ų | 30.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 97.1 | -156.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1845 P1860 A1861 L1862 | P1845-G1858 WeakPolarHBondContact CG-O 3.34Å; P1845-G1858 PolarHBondContact O-N 3.07Å; G1858-P1860 VanDerWaalsContact C-CD 3.41Å; G1858-P1860 VanDerWaalsContact C-N 3.34Å; G1858-A1861 WeakPolarHBondContact O-CA 3.42Å; G1858-A1861 WeakPolarHBondContact O-CB 3.38Å; G1858-A1861 PolarHBondContact O-N 3.08Å; G1858-L1862 PolarHBondContact O-N 3.19Å; G1858-L1862 VanDerWaalsContact O-N 3.13Å |
| 1859 | L | 81.4 | Confident | 79.6 | Confident | 5.5 Ų | 5.5 | 32.8 Ų | 32.8 | 3% | 0.029 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.3 | -37.8 | -175.9 | -99.7 | 89.7 | 0 | 0 | 0 | 114.6 | L1718 P1720 W1810 L1814 A1861 L1862 H1863 H1989 L1990 | L1718-L1859 HydrophobicContact CB-CD1 3.91Å; L1718-L1859 HydrophobicContact CB-CG 4.42Å; L1718-L1859 WeakPolarHBondContact O-CD1 3.28Å; P1720-L1859 HydrophobicContact CB-CD1 3.89Å; W1810-L1859 HydrophobicContact CH2-CB 4.22Å; W1810-L1859 HydrophobicContact CH2-CG 4.4Å; W1810-L1859 HydrophobicContact CZ2-CB 3.88Å; W1810-L1859 VanDerWaalsContact CZ2-CB 3.45Å; W1810-L1859 HydrophobicContact CZ2-CD2 3.98Å; W1810-L1859 HydrophobicContact CZ2-CG 4.02Å; L1814-L1859 HydrophobicContact CD1-CD2 4.11Å; L1814-L1859 HydrophobicContact CD2-CD2 4.21Å; L1859-A1861 VanDerWaalsContact C-N 3.27Å; L1859-A1861 PolarHBondContact O-N 3.11Å; L1859-L1862 HydrophobicContact CD1-CB 4.49Å; L1859-L1862 HydrophobicContact CD1-CD2 4.02Å; L1859-L1862 WeakPolarHBondContact O-CB 3.36Å; L1859-L1862 PolarHBondContact O-N 3.13Å; L1859-L1862 VanDerWaalsContact O-N 3.17Å; L1859-H1863 PolarHBondContact O-N 3.23Å; L1859-H1989 HydrophobicContact CD1-CB 3.7Å; L1859-H1989 HydrophobicContact CD2-CB 4.14Å; L1859-H1989 WeakPolarHBondContact CD2-O 3.49Å; L1859-L1990 HydrophobicContact CD1-CD2 3.98Å; L1859-L1990 HydrophobicContact CD1-CG 4.06Å; L1859-L1990 HydrophobicContact CD2-CD2 4.24Å; L1859-L1990 HydrophobicContact CD2-CG 4.38Å; L1859-L1990 HydrophobicContact CG-CD2 3.79Å; L1859-L1990 HydrophobicContact CG-CG 4.42Å |
| 1860 | P | 78.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | 173.8 | -18.5 | 28 | 0 | 0 | 0 | 112.8 | S1723 L1807 W1810 I1831 L1856 G1858 H1863 Q1864 | S1723-P1860 VanDerWaalsContact OG-CD 3.26Å; S1723-P1860 WeakPolarHBondContact OG-CD 3.36Å; L1807-P1860 HydrophobicContact CD1-CB 4.19Å; L1807-P1860 HydrophobicContact CD2-CB 4.1Å; W1810-P1860 HydrophobicContact CD2-CG 4.33Å; W1810-P1860 HydrophobicContact CE3-CB 4.4Å; W1810-P1860 HydrophobicContact CE3-CG 4.24Å; W1810-P1860 HydrophobicContact CH2-CB 3.59Å; W1810-P1860 HydrophobicContact CH2-CG 3.45Å; W1810-P1860 VanDerWaalsContact CH2-CG 3.43Å; W1810-P1860 VanDerWaalsContact CH2-N 3.27Å; W1810-P1860 HydrophobicContact CZ2-CG 3.91Å; W1810-P1860 VanDerWaalsContact CZ2-CG 3.48Å; W1810-P1860 HydrophobicContact CZ3-CB 3.48Å; W1810-P1860 VanDerWaalsContact CZ3-CB 3.48Å; W1810-P1860 HydrophobicContact CZ3-CG 3.75Å; W1810-P1860 VanDerWaalsContact CZ3-CG 3.48Å; I1831-P1860 HydrophobicContact CD1-CB 4.35Å; I1831-P1860 HydrophobicContact CD1-CG 4.1Å; L1856-P1860 HydrophobicContact CD1-CB 4.29Å; L1856-P1860 HydrophobicContact CD1-CG 4.32Å; L1856-P1860 HydrophobicContact CD2-CB 4.28Å; L1856-P1860 HydrophobicContact CG-CB 4.16Å; G1858-P1860 VanDerWaalsContact C-CD 3.41Å; G1858-P1860 VanDerWaalsContact C-N 3.34Å; P1860-H1863 WeakPolarHBondContact O-CB 3.31Å; P1860-H1863 PolarHBondContact O-N 2.96Å; P1860-Q1864 WeakPolarHBondContact O-CB 3.35Å; P1860-Q1864 PolarHBondContact O-N 2.96Å |
| 1861 | A | 84 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1845 L1856 G1858 L1859 H1863 Q1864 L1865 | P1845-A1861 HydrophobicContact CB-CB 4.44Å; P1845-A1861 VanDerWaalsContact O-CB 3.27Å; P1845-A1861 WeakPolarHBondContact O-CB 3.45Å; L1856-A1861 HydrophobicContact CB-CB 4Å; L1856-A1861 HydrophobicContact CD2-CB 4.48Å; L1856-A1861 HydrophobicContact CG-CB 4.02Å; L1856-A1861 VanDerWaalsContact O-CB 3.24Å; L1856-A1861 WeakPolarHBondContact O-CB 3.38Å; G1858-A1861 WeakPolarHBondContact O-CA 3.42Å; G1858-A1861 WeakPolarHBondContact O-CB 3.38Å; G1858-A1861 PolarHBondContact O-N 3.08Å; L1859-A1861 VanDerWaalsContact C-N 3.27Å; L1859-A1861 PolarHBondContact O-N 3.11Å; A1861-H1863 VanDerWaalsContact C-N 3.33Å; A1861-H1863 PolarHBondContact O-N 3.19Å; A1861-Q1864 PolarHBondContact O-N 3.32Å; A1861-L1865 WeakPolarHBondContact O-CB 3.26Å; A1861-L1865 VanDerWaalsContact O-CG 3.24Å; A1861-L1865 WeakPolarHBondContact O-CG 3.35Å; A1861-L1865 PolarHBondContact O-N 3.18Å |
| 1862 | L | 86.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.7 | -176.1 | 60.7 | 0 | 0 | 0 | 111.6 | W1686 F1690 L1718 P1845 G1858 L1859 L1865 L1866 L1986 L1990 | W1686-L1862 HydrophobicContact CE3-CD1 4.27Å; W1686-L1862 HydrophobicContact CZ3-CD1 3.89Å; F1690-L1862 HydrophobicContact CE2-CD1 4.38Å; F1690-L1862 HydrophobicContact CZ-CD1 4.33Å; L1718-L1862 HydrophobicContact CD1-CD2 4.36Å; P1845-L1862 HydrophobicContact CB-CB 4.12Å; P1845-L1862 HydrophobicContact CB-CD1 4.45Å; P1845-L1862 HydrophobicContact CG-CB 3.84Å; G1858-L1862 PolarHBondContact O-N 3.19Å; G1858-L1862 VanDerWaalsContact O-N 3.13Å; L1859-L1862 HydrophobicContact CD1-CB 4.49Å; L1859-L1862 HydrophobicContact CD1-CD2 4.02Å; L1859-L1862 WeakPolarHBondContact O-CB 3.36Å; L1859-L1862 PolarHBondContact O-N 3.13Å; L1859-L1862 VanDerWaalsContact O-N 3.17Å; L1862-L1865 PolarHBondContact O-N 3.2Å; L1862-L1866 HydrophobicContact CG-CD1 4.46Å; L1862-L1866 WeakPolarHBondContact O-CG 3.37Å; L1862-L1866 PolarHBondContact O-N 3.07Å; L1862-L1866 VanDerWaalsContact O-N 3.07Å; L1862-L1986 HydrophobicContact CD1-CD2 4.26Å; L1862-L1986 HydrophobicContact CD2-CD2 3.88Å; L1862-L1986 HydrophobicContact CG-CD2 4.3Å; L1862-L1990 HydrophobicContact CD2-CD1 4.38Å; L1862-L1990 HydrophobicContact CG-CD1 4.34Å |
| 1863 | H | 84.5 | Confident | 83.4 | Confident | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.06 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -51.6 | 174.4 | 175.3 | -85.2 | 0 | 0 | 0 | 111.1 | L1859 P1860 A1861 L1865 L1866 V1867 L1990 F1993 | L1859-H1863 PolarHBondContact O-N 3.23Å; P1860-H1863 WeakPolarHBondContact O-CB 3.31Å; P1860-H1863 PolarHBondContact O-N 2.96Å; A1861-H1863 VanDerWaalsContact C-N 3.33Å; A1861-H1863 PolarHBondContact O-N 3.19Å; H1863-L1865 VanDerWaalsContact C-N 3.31Å; H1863-L1865 PolarHBondContact O-N 3.24Å; H1863-L1866 PolarHBondContact O-N 3.2Å; H1863-L1866 VanDerWaalsContact O-N 3.14Å; H1863-V1867 WeakPolarHBondContact O-CG2 3.43Å; H1863-V1867 PolarHBondContact O-N 3.08Å; H1863-V1867 VanDerWaalsContact O-N 3.08Å; H1863-L1990 HydrophobicContact CB-CD1 4.2Å; H1863-F1993 AromaticContact CD2-CD1 3.56Å; H1863-F1993 AromaticContact CD2-CD2 3.6Å; H1863-F1993 AromaticContact CD2-CE1 3.74Å; H1863-F1993 AromaticContact CD2-CE2 3.8Å; H1863-F1993 AromaticContact CD2-CG 3.47Å; H1863-F1993 VanDerWaalsContact CD2-CG 3.47Å; H1863-F1993 WeakPolarHBondContact CD2-CG 3.27Å; H1863-F1993 AromaticContact CD2-CZ 3.87Å; H1863-F1993 AromaticContact NE2-CD2 3.23Å; H1863-F1993 VanDerWaalsContact NE2-CD2 3.28Å; H1863-F1993 WeakPolarHBondContact NE2-CD2 3.39Å; H1863-F1993 AromaticContact NE2-CE2 3.34Å; H1863-F1993 VanDerWaalsContact NE2-CE2 3.29Å; H1863-F1993 WeakPolarHBondContact NE2-CE2 3.44Å; H1863-F1993 AromaticContact NE2-CG 3.63Å; H1863-F1993 AromaticContact NE2-CZ 3.82Å |
| 1864 | Q | 83 | Confident | 84.1 | Confident | 37.5 Ų | 37.5 | 23.4 Ų | 23.4 | 18% | 0.175 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.2 | -32.1 | -178.5 | -168.3 | 60.7 | 16.8 | 0 | 0 | 112.9 | Y1847 L1856 P1860 A1861 V1867 S1868 | Y1847-Q1864 HydrophobicContact CD1-CB 4.09Å; Y1847-Q1864 HydrophobicContact CD1-CG 3.45Å; Y1847-Q1864 VanDerWaalsContact CD1-CG 3.45Å; Y1847-Q1864 HydrophobicContact CD2-CB 4.31Å; Y1847-Q1864 HydrophobicContact CD2-CG 3.89Å; Y1847-Q1864 HydrophobicContact CE1-CB 4.44Å; Y1847-Q1864 HydrophobicContact CE1-CG 3.35Å; Y1847-Q1864 HydrophobicContact CE2-CG 3.81Å; Y1847-Q1864 HydrophobicContact CG-CB 3.99Å; Y1847-Q1864 HydrophobicContact CG-CG 3.71Å; L1856-Q1864 HydrophobicContact CD1-CB 4.32Å; L1856-Q1864 HydrophobicContact CD1-CG 4.37Å; L1856-Q1864 HydrophobicContact CD2-CB 4.33Å; P1860-Q1864 WeakPolarHBondContact O-CB 3.35Å; P1860-Q1864 PolarHBondContact O-N 2.96Å; A1861-Q1864 PolarHBondContact O-N 3.32Å; Q1864-V1867 PolarHBondContact O-N 3.16Å; Q1864-S1868 VanDerWaalsContact O-CB 3.23Å; Q1864-S1868 WeakPolarHBondContact O-CB 3.32Å; Q1864-S1868 PolarHBondContact O-N 3.06Å; Q1864-S1868 PolarHBondContact O-OG 2.95Å |
| 1865 | L | 85.6 | Confident | 84.6 | Confident | 0.75 Ų | 0.75 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.1 | -76.9 | 168.3 | 0 | 0 | 0 | 111.6 | W1686 E1687 F1690 P1845 Y1847 A1861 L1862 H1863 V1867 S1868 K1869 | W1686-L1865 HydrophobicContact CB-CD1 4.29Å; E1687-L1865 HydrophobicContact CG-CD2 3.77Å; E1687-L1865 WeakPolarHBondContact OE1-CD2 3.18Å; F1690-L1865 HydrophobicContact CE2-CB 4.38Å; F1690-L1865 HydrophobicContact CE2-CD1 4.4Å; P1845-L1865 HydrophobicContact CB-CD1 4.23Å; Y1847-L1865 HydrophobicContact CD2-CD2 3.98Å; Y1847-L1865 HydrophobicContact CD2-CG 4.26Å; A1861-L1865 WeakPolarHBondContact O-CB 3.26Å; A1861-L1865 VanDerWaalsContact O-CG 3.24Å; A1861-L1865 WeakPolarHBondContact O-CG 3.35Å; A1861-L1865 PolarHBondContact O-N 3.18Å; L1862-L1865 PolarHBondContact O-N 3.2Å; H1863-L1865 VanDerWaalsContact C-N 3.31Å; H1863-L1865 PolarHBondContact O-N 3.24Å; L1865-V1867 VanDerWaalsContact C-N 3.34Å; L1865-V1867 PolarHBondContact O-N 3.12Å; L1865-S1868 WeakPolarHBondContact CA-OG 3.29Å; L1865-S1868 PolarHBondContact O-OG 3.22Å; L1865-K1869 VanDerWaalsContact O-CB 3.26Å; L1865-K1869 WeakPolarHBondContact O-CB 3.35Å; L1865-K1869 VanDerWaalsContact O-CG 3.23Å; L1865-K1869 WeakPolarHBondContact O-CG 3.34Å; L1865-K1869 PolarHBondContact O-N 3.07Å; L1865-K1869 VanDerWaalsContact O-N 3.12Å |
| 1866 | L | 87.6 | Confident | 85.2 | Confident | 0.5 Ų | 0.5 | 24.2 Ų | 24.2 | 0% | 0.003 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.6 | -66.9 | 171 | 0 | 0 | 0 | 112.1 | F1690 L1862 H1863 D1870 F1871 F1872 L1986 L1990 F1993 | F1690-L1866 HydrophobicContact CE1-CD2 3.96Å; F1690-L1866 HydrophobicContact CZ-CD2 3.95Å; L1862-L1866 HydrophobicContact CG-CD1 4.46Å; L1862-L1866 WeakPolarHBondContact O-CG 3.37Å; L1862-L1866 PolarHBondContact O-N 3.07Å; L1862-L1866 VanDerWaalsContact O-N 3.07Å; H1863-L1866 PolarHBondContact O-N 3.2Å; H1863-L1866 VanDerWaalsContact O-N 3.14Å; L1866-D1870 PolarHBondContact O-N 3.32Å; L1866-F1871 HydrophobicContact CB-CB 4.38Å; L1866-F1871 HydrophobicContact CD2-CB 3.88Å; L1866-F1871 HydrophobicContact CD2-CD1 3.75Å; L1866-F1871 HydrophobicContact CD2-CD2 4.27Å; L1866-F1871 HydrophobicContact CD2-CE1 4.37Å; L1866-F1871 HydrophobicContact CD2-CG 3.69Å; L1866-F1871 WeakPolarHBondContact O-CB 3.44Å; L1866-F1871 PolarHBondContact O-N 3.28Å; L1866-F1871 VanDerWaalsContact O-N 3.08Å; L1866-F1872 HydrophobicContact CB-CE2 4.42Å; L1866-L1986 HydrophobicContact CD1-CD1 4.14Å; L1866-L1986 HydrophobicContact CD1-CD2 4.21Å; L1866-L1986 HydrophobicContact CD2-CD1 3.92Å; L1866-L1990 HydrophobicContact CD1-CD1 4.11Å; L1866-F1993 HydrophobicContact CB-CE1 4.21Å; L1866-F1993 HydrophobicContact CB-CZ 4.48Å; L1866-F1993 HydrophobicContact CD1-CE1 4.05Å |
| 1867 | V | 85 | Confident | 85.5 | Confident | 62.5 Ų | 62.5 | 31.1 Ų | 31.1 | 38% | 0.379 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.7 | -53 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | H1863 Q1864 L1865 K1869 D1870 F1993 | H1863-V1867 WeakPolarHBondContact O-CG2 3.43Å; H1863-V1867 PolarHBondContact O-N 3.08Å; H1863-V1867 VanDerWaalsContact O-N 3.08Å; Q1864-V1867 PolarHBondContact O-N 3.16Å; L1865-V1867 VanDerWaalsContact C-N 3.34Å; L1865-V1867 PolarHBondContact O-N 3.12Å; V1867-K1869 VanDerWaalsContact C-N 3.25Å; V1867-K1869 PolarHBondContact O-N 3.03Å; V1867-D1870 PolarHBondContact O-N 3.11Å; V1867-F1993 HydrophobicContact CG2-CE2 3.96Å; V1867-F1993 HydrophobicContact CG2-CZ 3.65Å |
| 1868 | S | 83 | Confident | 85.7 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 38% | 0.378 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.4 | -27.7 | -176.5 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | Y1847 Q1864 L1865 | Y1847-S1868 WeakPolarHBondContact CE2-OG 3.35Å; Q1864-S1868 VanDerWaalsContact O-CB 3.23Å; Q1864-S1868 WeakPolarHBondContact O-CB 3.32Å; Q1864-S1868 PolarHBondContact O-N 3.06Å; Q1864-S1868 PolarHBondContact O-OG 2.95Å; L1865-S1868 WeakPolarHBondContact CA-OG 3.29Å; L1865-S1868 PolarHBondContact O-OG 3.22Å |
| 1869 | K | 84.9 | Confident | 85.9 | Confident | 81.25 Ų | 81.25 | 31.1 Ų | 31.1 | 35% | 0.353 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.2 | 177.1 | -60.2 | -68.7 | -172.9 | 179.7 | 0 | 113.4 | E1687 M1694 L1865 V1867 F1871 | E1687-K1869 IonicContact OE1-NZ 2.77Å; E1687-K1869 VanDerWaalsContact OE2-CE 3.3Å; E1687-K1869 WeakPolarHBondContact OE2-CE 3.36Å; E1687-K1869 IonicContact OE2-NZ 3.34Å; E1687-K1869 PolarHBondContact OE2-NZ 3.22Å; M1694-K1869 HydrophobicContact CE-CB 3.53Å; M1694-K1869 HydrophobicContact CE-CD 3.61Å; M1694-K1869 HydrophobicContact CE-CG 3.7Å; M1694-K1869 WeakPolarHBondContact CE-O 3.44Å; M1694-K1869 HydrophobicContact SD-CB 3.68Å; M1694-K1869 HydrophobicContact SD-CG 4.45Å; L1865-K1869 VanDerWaalsContact O-CB 3.26Å; L1865-K1869 WeakPolarHBondContact O-CB 3.35Å; L1865-K1869 VanDerWaalsContact O-CG 3.23Å; L1865-K1869 WeakPolarHBondContact O-CG 3.34Å; L1865-K1869 PolarHBondContact O-N 3.07Å; L1865-K1869 VanDerWaalsContact O-N 3.12Å; V1867-K1869 VanDerWaalsContact C-N 3.25Å; V1867-K1869 PolarHBondContact O-N 3.03Å; K1869-F1871 PolarHBondContact O-N 3.06Å |
| 1870 | D | 87.7 | Confident | 86.1 | Confident | 98.75 Ų | 98.75 | 35.7 Ų | 35.7 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.3 | -176.7 | -94.4 | -16.3 | 0 | 0 | 0 | 112.9 | L1866 V1867 F1872 N1873 Y1874 | L1866-D1870 PolarHBondContact O-N 3.32Å; V1867-D1870 PolarHBondContact O-N 3.11Å; D1870-F1872 VanDerWaalsContact C-N 3.31Å; D1870-F1872 PolarHBondContact O-N 3.15Å; D1870-N1873 HydrophobicContact CB-CB 4.28Å; D1870-N1873 WeakPolarHBondContact O-CB 3.36Å; D1870-N1873 PolarHBondContact O-N 3.19Å; D1870-N1873 VanDerWaalsContact O-N 3.13Å; D1870-N1873 WeakPolarHBondContact OD1-CB 3.37Å; D1870-N1873 VanDerWaalsContact OD2-CB 3.23Å; D1870-N1873 WeakPolarHBondContact OD2-CB 3.41Å; D1870-N1873 PolarHBondContact OD2-ND2 3.05Å; D1870-Y1874 PolarHBondContact O-N 3.06Å |
| 1871 | F | 90.8 | Very high | 86.3 | Confident | 1.25 Ų | 1.25 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.2 | -40.3 | -169.5 | 175.3 | -99.7 | 0 | 0 | 0 | 113.2 | F1690 L1693 M1694 L1866 K1869 Y1874 L1875 V1979 L1982 L1983 L1986 | F1690-F1871 HydrophobicContact CE1-CD2 4.33Å; F1690-F1871 HydrophobicContact CE1-CE2 4.46Å; L1693-F1871 HydrophobicContact CD2-CE2 4.03Å; M1694-F1871 HydrophobicContact SD-CD2 3.97Å; L1866-F1871 HydrophobicContact CB-CB 4.38Å; L1866-F1871 HydrophobicContact CD2-CB 3.88Å; L1866-F1871 HydrophobicContact CD2-CD1 3.75Å; L1866-F1871 HydrophobicContact CD2-CD2 4.27Å; L1866-F1871 HydrophobicContact CD2-CE1 4.37Å; L1866-F1871 HydrophobicContact CD2-CG 3.69Å; L1866-F1871 WeakPolarHBondContact O-CB 3.44Å; L1866-F1871 PolarHBondContact O-N 3.28Å; L1866-F1871 VanDerWaalsContact O-N 3.08Å; K1869-F1871 PolarHBondContact O-N 3.06Å; F1871-Y1874 HydrophobicContact CD2-CD1 4.47Å; F1871-Y1874 HydrophobicContact CE2-CD1 4.5Å; F1871-Y1874 WeakPolarHBondContact O-CB 3.34Å; F1871-Y1874 PolarHBondContact O-N 3.09Å; F1871-L1875 WeakPolarHBondContact O-CB 3.29Å; F1871-L1875 PolarHBondContact O-N 3.21Å; F1871-V1979 HydrophobicContact CZ-CG1 4.33Å; F1871-L1982 HydrophobicContact CE2-CD2 4.48Å; F1871-L1982 HydrophobicContact CZ-CD2 4.42Å; F1871-L1983 HydrophobicContact CE1-CD1 4.49Å; F1871-L1986 HydrophobicContact CE1-CD1 4.11Å; F1871-L1986 HydrophobicContact CZ-CD1 4.37Å |
| 1872 | F | 89.8 | Confident | 86.2 | Confident | 5.5 Ų | 5.5 | 38.5 Ų | 38.5 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.2 | -31.2 | -178.3 | -65.1 | -80.9 | 0 | 0 | 0 | 113.2 | L1866 D1870 Y1874 L1875 F1876 L1983 F1993 V1994 E1997 L1998 H2001 | L1866-F1872 HydrophobicContact CB-CE2 4.42Å; D1870-F1872 VanDerWaalsContact C-N 3.31Å; D1870-F1872 PolarHBondContact O-N 3.15Å; F1872-Y1874 VanDerWaalsContact C-N 3.35Å; F1872-L1875 HydrophobicContact CD1-CD2 4.41Å; F1872-L1875 PolarHBondContact O-N 3.06Å; F1872-F1876 WeakPolarHBondContact O-CB 3.29Å; F1872-F1876 PolarHBondContact O-N 3.06Å; F1872-L1983 HydrophobicContact CE1-CD1 3.92Å; F1872-F1993 HydrophobicContact CD2-CZ 4.48Å; F1872-F1993 HydrophobicContact CE2-CD1 4.48Å; F1872-F1993 AromaticContact CE2-CE1 3.63Å; F1872-F1993 HydrophobicContact CE2-CE1 3.63Å; F1872-F1993 AromaticContact CE2-CZ 3.77Å; F1872-F1993 HydrophobicContact CE2-CZ 3.77Å; F1872-F1993 HydrophobicContact CZ-CE1 4.15Å; F1872-V1994 HydrophobicContact CE1-CG1 4.13Å; F1872-V1994 HydrophobicContact CZ-CB 4.42Å; F1872-V1994 HydrophobicContact CZ-CG1 4.29Å; F1872-V1994 HydrophobicContact CZ-CG2 4.13Å; F1872-E1997 HydrophobicContact CB-CB 4.32Å; F1872-E1997 HydrophobicContact CD1-CB 3.79Å; F1872-E1997 HydrophobicContact CD2-CB 3.59Å; F1872-E1997 HydrophobicContact CD2-CG 3.69Å; F1872-E1997 HydrophobicContact CE1-CB 3.92Å; F1872-E1997 HydrophobicContact CE2-CB 3.73Å; F1872-E1997 HydrophobicContact CE2-CG 3.71Å; F1872-E1997 HydrophobicContact CG-CB 3.63Å; F1872-E1997 HydrophobicContact CG-CG 4.24Å; F1872-E1997 HydrophobicContact CZ-CB 3.89Å; F1872-E1997 HydrophobicContact CZ-CG 4.27Å; F1872-L1998 HydrophobicContact CD1-CD2 4.13Å; F1872-L1998 HydrophobicContact CD1-CG 4.47Å; F1872-L1998 HydrophobicContact CE1-CD2 4.25Å; F1872-L1998 HydrophobicContact CE1-CG 4.35Å; F1872-H2001 VanDerWaalsContact CB-CD2 3.45Å; F1872-H2001 WeakPolarHBondContact CB-CD2 3.37Å |
| 1873 | N | 88.2 | Confident | 85.7 | Confident | 46.25 Ų | 46.25 | 41.1 Ų | 41.1 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 170.4 | -173.7 | 22.5 | 0 | 0 | 0 | 110.9 | D1870 F1876 R1877 | D1870-N1873 HydrophobicContact CB-CB 4.28Å; D1870-N1873 WeakPolarHBondContact O-CB 3.36Å; D1870-N1873 PolarHBondContact O-N 3.19Å; D1870-N1873 VanDerWaalsContact O-N 3.13Å; D1870-N1873 WeakPolarHBondContact OD1-CB 3.37Å; D1870-N1873 VanDerWaalsContact OD2-CB 3.23Å; D1870-N1873 WeakPolarHBondContact OD2-CB 3.41Å; D1870-N1873 PolarHBondContact OD2-ND2 3.05Å; N1873-F1876 PolarHBondContact O-N 3.01Å; N1873-R1877 PolarHBondContact ND2-NH2 2.97Å; N1873-R1877 WeakPolarHBondContact O-CG 3.4Å; N1873-R1877 PolarHBondContact O-N 3.02Å; N1873-R1877 VanDerWaalsContact O-N 3.11Å |
| 1874 | Y | 88 | Confident | 84.9 | Confident | 23.25 Ų | 23.25 | 42.8 Ų | 42.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 170.8 | 169.5 | -97.5 | 0 | 0 | 0 | 112 | L1693 M1694 R1703 D1870 F1871 F1872 F1876 R1877 L1878 | L1693-Y1874 HydrophobicContact CD1-CE1 4.32Å; L1693-Y1874 HydrophobicContact CG-CE1 4.3Å; L1693-Y1874 VanDerWaalsContact O-CZ 3.28Å; L1693-Y1874 PolarHBondContact O-OH 3.22Å; M1694-Y1874 HydrophobicContact CB-CD2 4.48Å; M1694-Y1874 HydrophobicContact CB-CE2 4.48Å; M1694-Y1874 HydrophobicContact CE-CD1 4.02Å; M1694-Y1874 HydrophobicContact CE-CD2 4.07Å; M1694-Y1874 HydrophobicContact CE-CG 3.53Å; M1694-Y1874 VanDerWaalsContact CE-CG 3.49Å; M1694-Y1874 HydrophobicContact CG-CD2 4.45Å; M1694-Y1874 HydrophobicContact CG-CG 4.44Å; M1694-Y1874 HydrophobicContact SD-CD1 3.3Å; M1694-Y1874 WeakPolarHBondContact SD-CD1 3.37Å; M1694-Y1874 HydrophobicContact SD-CD2 4.09Å; M1694-Y1874 HydrophobicContact SD-CE1 3.82Å; M1694-Y1874 HydrophobicContact SD-CE2 4.41Å; M1694-Y1874 HydrophobicContact SD-CG 3.44Å; R1703-Y1874 PolarHBondContact NH1-OH 3.4Å; D1870-Y1874 PolarHBondContact O-N 3.06Å; F1871-Y1874 HydrophobicContact CD2-CD1 4.47Å; F1871-Y1874 HydrophobicContact CE2-CD1 4.5Å; F1871-Y1874 WeakPolarHBondContact O-CB 3.34Å; F1871-Y1874 PolarHBondContact O-N 3.09Å; F1872-Y1874 VanDerWaalsContact C-N 3.35Å; Y1874-F1876 VanDerWaalsContact C-N 3.32Å; Y1874-F1876 PolarHBondContact O-N 3.39Å; Y1874-R1877 WeakPolarHBondContact O-CB 3.3Å; Y1874-R1877 PolarHBondContact O-N 2.93Å; Y1874-R1877 VanDerWaalsContact O-N 3.12Å; Y1874-L1878 HydrophobicContact CD1-CD1 4.43Å; Y1874-L1878 HydrophobicContact CE1-CB 4.44Å; Y1874-L1878 HydrophobicContact CE1-CD1 3.61Å; Y1874-L1878 HydrophobicContact CE2-CD1 4.47Å; Y1874-L1878 WeakPolarHBondContact O-CB 3.42Å; Y1874-L1878 PolarHBondContact O-N 3.26Å; Y1874-L1878 VanDerWaalsContact OH-CD1 3.28Å; Y1874-L1878 WeakPolarHBondContact OH-CD1 3.41Å |
| 1875 | L | 88.6 | Confident | 84 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 177.4 | 178.3 | 63.8 | 0 | 0 | 0 | 111.4 | F1871 F1872 R1877 L1878 V1879 V1979 L1983 L1998 I2003 | F1871-L1875 WeakPolarHBondContact O-CB 3.29Å; F1871-L1875 PolarHBondContact O-N 3.21Å; F1872-L1875 HydrophobicContact CD1-CD2 4.41Å; F1872-L1875 PolarHBondContact O-N 3.06Å; L1875-R1877 VanDerWaalsContact C-N 3.34Å; L1875-R1877 PolarHBondContact O-N 2.97Å; L1875-L1878 PolarHBondContact O-N 3.16Å; L1875-V1879 HydrophobicContact CD1-CG2 4.21Å; L1875-V1879 HydrophobicContact CG-CG2 4.47Å; L1875-V1879 WeakPolarHBondContact O-CB 3.48Å; L1875-V1879 VanDerWaalsContact O-CG2 3.27Å; L1875-V1879 WeakPolarHBondContact O-CG2 3.38Å; L1875-V1879 PolarHBondContact O-N 3.2Å; L1875-V1979 HydrophobicContact CD1-CG1 3.59Å; L1875-L1983 HydrophobicContact CD2-CD1 4.45Å; L1875-L1983 HydrophobicContact CD2-CD2 3.71Å; L1875-L1998 HydrophobicContact CD2-CD2 3.99Å; L1875-I2003 HydrophobicContact CB-CD1 4.44Å; L1875-I2003 HydrophobicContact CD2-CD1 3.87Å; L1875-I2003 HydrophobicContact CG-CD1 4.14Å |
| 1876 | F | 88.8 | Confident | 82.6 | Confident | 66 Ų | 66 | 47.8 Ų | 47.8 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 174.7 | 173.6 | -98.3 | 0 | 0 | 0 | 111.8 | F1872 N1873 Y1874 L1878 V1879 I1880 H2001 I2003 L2006 | F1872-F1876 WeakPolarHBondContact O-CB 3.29Å; F1872-F1876 PolarHBondContact O-N 3.06Å; N1873-F1876 PolarHBondContact O-N 3.01Å; Y1874-F1876 VanDerWaalsContact C-N 3.32Å; Y1874-F1876 PolarHBondContact O-N 3.39Å; F1876-L1878 VanDerWaalsContact C-N 3.33Å; F1876-L1878 PolarHBondContact O-N 3.01Å; F1876-V1879 PolarHBondContact O-N 3.25Å; F1876-I1880 HydrophobicContact CD1-CD1 3.85Å; F1876-I1880 HydrophobicContact CD2-CD1 4.29Å; F1876-I1880 HydrophobicContact CE1-CD1 3.31Å; F1876-I1880 HydrophobicContact CE2-CD1 3.82Å; F1876-I1880 HydrophobicContact CG-CD1 4.32Å; F1876-I1880 HydrophobicContact CZ-CD1 3.31Å; F1876-I1880 VanDerWaalsContact CZ-CD1 3.4Å; F1876-I1880 HydrophobicContact CZ-CG1 4.48Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.42Å; F1876-I1880 PolarHBondContact O-N 3.17Å; F1876-I1880 VanDerWaalsContact O-N 3.09Å; F1876-H2001 VanDerWaalsContact CD2-O 3.27Å; F1876-H2001 WeakPolarHBondContact CD2-O 3.3Å; F1876-H2001 WeakPolarHBondContact CE2-O 3.2Å; F1876-I2003 HydrophobicContact CB-CD1 4.43Å; F1876-I2003 HydrophobicContact CB-CG1 4.35Å; F1876-I2003 HydrophobicContact CD2-CG1 4.37Å; F1876-L2006 HydrophobicContact CD2-CD1 3.62Å; F1876-L2006 HydrophobicContact CE2-CD1 3.66Å; F1876-L2006 HydrophobicContact CG-CD1 4.46Å |
| 1877 | R | 86.6 | Confident | 80.8 | Confident | 147.5 Ų | 147.5 | 54.4 Ų | 54.4 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -41 | 176.7 | -68.1 | 177.8 | -164.3 | -154.9 | 2.9 | 112.4 | N1873 Y1874 L1875 V1879 I1880 S1881 | N1873-R1877 PolarHBondContact ND2-NH2 2.97Å; N1873-R1877 WeakPolarHBondContact O-CG 3.4Å; N1873-R1877 PolarHBondContact O-N 3.02Å; N1873-R1877 VanDerWaalsContact O-N 3.11Å; Y1874-R1877 WeakPolarHBondContact O-CB 3.3Å; Y1874-R1877 PolarHBondContact O-N 2.93Å; Y1874-R1877 VanDerWaalsContact O-N 3.12Å; L1875-R1877 VanDerWaalsContact C-N 3.34Å; L1875-R1877 PolarHBondContact O-N 2.97Å; R1877-V1879 VanDerWaalsContact C-N 3.34Å; R1877-V1879 PolarHBondContact O-N 3.03Å; R1877-I1880 PolarHBondContact O-N 2.99Å; R1877-S1881 WeakPolarHBondContact O-CB 3.45Å; R1877-S1881 PolarHBondContact O-N 3.13Å; R1877-S1881 VanDerWaalsContact O-N 3.09Å; R1877-S1881 PolarHBondContact O-OG 3.17Å |
| 1878 | L | 86.4 | Confident | 79.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 179.3 | -176.3 | 151.6 | 0 | 0 | 0 | 111.6 | Y1874 L1875 F1876 S1881 H1882 C1971 L1975 L1976 V1979 | Y1874-L1878 HydrophobicContact CD1-CD1 4.43Å; Y1874-L1878 HydrophobicContact CE1-CB 4.44Å; Y1874-L1878 HydrophobicContact CE1-CD1 3.61Å; Y1874-L1878 HydrophobicContact CE2-CD1 4.47Å; Y1874-L1878 WeakPolarHBondContact O-CB 3.42Å; Y1874-L1878 PolarHBondContact O-N 3.26Å; Y1874-L1878 VanDerWaalsContact OH-CD1 3.28Å; Y1874-L1878 WeakPolarHBondContact OH-CD1 3.41Å; L1875-L1878 PolarHBondContact O-N 3.16Å; F1876-L1878 VanDerWaalsContact C-N 3.33Å; F1876-L1878 PolarHBondContact O-N 3.01Å; L1878-S1881 WeakPolarHBondContact CA-OG 3.29Å; L1878-S1881 CarbonylContact O-C 3.52Å; L1878-S1881 PolarHBondContact O-N 2.98Å; L1878-S1881 PolarHBondContact O-OG 3.28Å; L1878-S1881 VanDerWaalsContact O-OG 3.07Å; L1878-H1882 PolarHBondContact O-N 3.23Å; L1878-C1971 HydrophobicContact CD2-CB 4.18Å; L1878-C1971 WeakPolarHBondContact CD2-SG 3.31Å; L1878-C1971 HydrophobicContact CG-CB 4.02Å; L1878-C1971 VanDerWaalsContact O-CB 3.29Å; L1878-C1971 WeakPolarHBondContact O-CB 3.3Å; L1878-C1971 PolarHBondContact O-SG 3.04Å; L1878-C1971 VanDerWaalsContact O-SG 3.36Å; L1878-L1975 HydrophobicContact CD1-CD2 4.05Å; L1878-L1975 HydrophobicContact CD1-CG 4.3Å; L1878-L1976 HydrophobicContact CD2-CB 4.4Å; L1878-L1976 HydrophobicContact CD2-CD1 3.83Å; L1878-V1979 HydrophobicContact CD1-CG2 4.38Å |
| 1879 | V | 85.6 | Confident | 77.5 | Confident | 6.75 Ų | 6.75 | 56.8 Ų | 56.8 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | L1875 F1876 R1877 S1881 H1882 L1976 L2006 L2007 I2010 | L1875-V1879 HydrophobicContact CD1-CG2 4.21Å; L1875-V1879 HydrophobicContact CG-CG2 4.47Å; L1875-V1879 WeakPolarHBondContact O-CB 3.48Å; L1875-V1879 VanDerWaalsContact O-CG2 3.27Å; L1875-V1879 WeakPolarHBondContact O-CG2 3.38Å; L1875-V1879 PolarHBondContact O-N 3.2Å; F1876-V1879 PolarHBondContact O-N 3.25Å; R1877-V1879 VanDerWaalsContact C-N 3.34Å; R1877-V1879 PolarHBondContact O-N 3.03Å; V1879-S1881 VanDerWaalsContact C-N 3.29Å; V1879-S1881 PolarHBondContact O-N 3.24Å; V1879-H1882 WeakPolarHBondContact O-CB 3.26Å; V1879-H1882 PolarHBondContact O-N 3.23Å; V1879-H1882 VanDerWaalsContact O-N 3.15Å; V1879-L1976 HydrophobicContact CG2-CD1 3.88Å; V1879-L2006 HydrophobicContact CB-CD1 4.49Å; V1879-L2006 HydrophobicContact CG1-CB 3.51Å; V1879-L2006 VanDerWaalsContact CG1-CB 3.49Å; V1879-L2006 HydrophobicContact CG1-CD1 4.05Å; V1879-L2006 HydrophobicContact CG1-CG 4.39Å; V1879-L2007 HydrophobicContact CG2-CD2 4.36Å; V1879-I2010 HydrophobicContact CG1-CD1 3.68Å |
| 1880 | I | 84.7 | Confident | 75.6 | Confident | 102.25 Ų | 102.25 | 59.5 Ų | 59.5 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -34.3 | 176.7 | -71.7 | 172.9 | 0 | 0 | 0 | 111.7 | F1876 R1877 H1882 L2006 | F1876-I1880 HydrophobicContact CD1-CD1 3.85Å; F1876-I1880 HydrophobicContact CD2-CD1 4.29Å; F1876-I1880 HydrophobicContact CE1-CD1 3.31Å; F1876-I1880 HydrophobicContact CE2-CD1 3.82Å; F1876-I1880 HydrophobicContact CG-CD1 4.32Å; F1876-I1880 HydrophobicContact CZ-CD1 3.31Å; F1876-I1880 VanDerWaalsContact CZ-CD1 3.4Å; F1876-I1880 HydrophobicContact CZ-CG1 4.48Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.42Å; F1876-I1880 PolarHBondContact O-N 3.17Å; F1876-I1880 VanDerWaalsContact O-N 3.09Å; R1877-I1880 PolarHBondContact O-N 2.99Å; I1880-H1882 PolarHBondContact O-N 3.26Å; I1880-L2006 HydrophobicContact CD1-CD1 4.46Å; I1880-L2006 HydrophobicContact CG1-CD1 4.11Å; I1880-L2006 HydrophobicContact CG1-CD2 4.42Å |
| 1881 | S | 82.9 | Confident | 73.8 | Confident | 29 Ų | 29 | 58 Ų | 58 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 11.2 | 178.6 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | R1877 L1878 V1879 L1883 C1969 C1971 | R1877-S1881 WeakPolarHBondContact O-CB 3.45Å; R1877-S1881 PolarHBondContact O-N 3.13Å; R1877-S1881 VanDerWaalsContact O-N 3.09Å; R1877-S1881 PolarHBondContact O-OG 3.17Å; L1878-S1881 WeakPolarHBondContact CA-OG 3.29Å; L1878-S1881 CarbonylContact O-C 3.52Å; L1878-S1881 PolarHBondContact O-N 2.98Å; L1878-S1881 PolarHBondContact O-OG 3.28Å; L1878-S1881 VanDerWaalsContact O-OG 3.07Å; V1879-S1881 VanDerWaalsContact C-N 3.29Å; V1879-S1881 PolarHBondContact O-N 3.24Å; S1881-L1883 PolarHBondContact O-N 2.97Å; S1881-C1969 WeakPolarHBondContact CB-O 3.28Å; S1881-C1969 PolarHBondContact OG-O 3.08Å; S1881-C1969 VanDerWaalsContact OG-O 3.14Å; S1881-C1971 PolarHBondContact O-N 3.11Å |
| 1882 | H | 82.2 | Confident | 72 | Confident | 30.5 Ų | 30.5 | 61.1 Ų | 61.1 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -63.5 | 122.1 | 178.3 | 176.5 | -67 | 0 | 0 | 0 | 111.4 | L1878 V1879 I1880 L1976 | L1878-H1882 PolarHBondContact O-N 3.23Å; V1879-H1882 WeakPolarHBondContact O-CB 3.26Å; V1879-H1882 PolarHBondContact O-N 3.23Å; V1879-H1882 VanDerWaalsContact O-N 3.15Å; I1880-H1882 PolarHBondContact O-N 3.26Å; H1882-L1976 HydrophobicContact CB-CD2 4.42Å; H1882-L1976 VanDerWaalsContact CD2-CD2 3.41Å; H1882-L1976 WeakPolarHBondContact CD2-CD2 3.32Å |
| 1883 | L | 75.7 | Confident | 70.1 | Confident | 54.25 Ų | 54.25 | 66.1 Ų | 66.1 | 28% | 0.284 | 33% | 0.328 | S | S | . | . | trans | -107.7 | 121.5 | 172.7 | -74.1 | 151.2 | 0 | 0 | 0 | 109.1 | S1881 Q1885 F1888 L1896 I1970 C1971 P1973 | S1881-L1883 PolarHBondContact O-N 2.97Å; L1883-Q1885 VanDerWaalsContact C-N 3.28Å; L1883-Q1885 PolarHBondContact O-N 3.2Å; L1883-Q1885 VanDerWaalsContact O-N 3.14Å; L1883-F1888 HydrophobicContact CB-CZ 4.06Å; L1883-F1888 HydrophobicContact CD1-CE1 4.35Å; L1883-F1888 HydrophobicContact CD1-CE2 4.26Å; L1883-F1888 HydrophobicContact CD1-CZ 3.65Å; L1883-F1888 HydrophobicContact CD2-CE1 4.1Å; L1883-F1888 HydrophobicContact CD2-CE2 4.37Å; L1883-F1888 HydrophobicContact CD2-CZ 4.24Å; L1883-F1888 HydrophobicContact CG-CZ 4.13Å; L1883-L1896 HydrophobicContact CD1-CD1 4.42Å; L1883-I1970 HydrophobicContact CD1-CG1 4.38Å; L1883-I1970 HydrophobicContact CD1-CG2 4.01Å; L1883-C1971 PolarHBondContact N-O 3.26Å; L1883-C1971 VanDerWaalsContact N-O 3.12Å; L1883-P1973 WeakPolarHBondContact O-CD 3.28Å | ||
| 1884 | P | 67.4 | Low | 68.3 | Low | 48.5 Ų | 48.5 | 68.2 Ų | 68.2 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.2 | -13.8 | -177.9 | 29.6 | -34.9 | 0 | 0 | 0 | 113.1 | T1886 L2015 | P1884-T1886 PolarHBondContact O-N 3.32Å; P1884-L2015 HydrophobicContact CB-CD1 3.93Å; P1884-L2015 HydrophobicContact CB-CD2 3.97Å; P1884-L2015 HydrophobicContact CB-CG 4.31Å; P1884-L2015 HydrophobicContact CG-CD1 3.95Å; P1884-L2015 VanDerWaalsContact CG-CD1 3.48Å |
| 1885 | Q | 64.2 | Low | 66.6 | Low | 103.25 Ų | 103.25 | 75.8 Ų | 75.8 | 48% | 0.482 | 37% | 0.368 | S | S | . | . | trans | -86.2 | 126.5 | 177.7 | -65.6 | -179.2 | -0.7 | 0 | 0 | 110.5 | L1883 M1887 F1888 | L1883-Q1885 VanDerWaalsContact C-N 3.28Å; L1883-Q1885 PolarHBondContact O-N 3.2Å; L1883-Q1885 VanDerWaalsContact O-N 3.14Å; Q1885-M1887 PolarHBondContact O-N 3.45Å; Q1885-F1888 HydrophobicContact CB-CE1 4.24Å; Q1885-F1888 HydrophobicContact CB-CZ 4.27Å; Q1885-F1888 VanDerWaalsContact OE1-CE1 3.26Å | ||
| 1886 | T | 56.2 | Low | 64.7 | Low | 40.5 Ų | 40.5 | 79.9 Ų | 79.9 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -82.8 | -0.8 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | P1884 P1973 S2048 Q2051 | P1884-T1886 PolarHBondContact O-N 3.32Å; T1886-P1973 HydrophobicContact CG2-CG 4.14Å; T1886-S2048 WeakPolarHBondContact CB-OG 3.48Å; T1886-S2048 VanDerWaalsContact OG1-CB 3.24Å; T1886-S2048 WeakPolarHBondContact OG1-CB 3.43Å; T1886-S2048 PolarHBondContact OG1-OG 2.79Å; T1886-Q2051 HydrophobicContact CG2-CB 4.48Å; T1886-Q2051 VanDerWaalsContact CG2-OE1 3.24Å |
| 1887 | M | 51 | Low | 62.8 | Low | 139.75 Ų | 139.75 | 79.2 Ų | 79.2 | 69% | 0.688 | 39% | 0.39 | S | S | * | . | trans | -133.9 | 125 | 173.3 | -71.8 | -147 | 127.6 | 0 | 0 | 112 | Q1885 | Q1885-M1887 PolarHBondContact O-N 3.45Š| ||
| 1888 | F | 51.2 | Low | 60.4 | Low | 52 Ų | 52 | 79.2 Ų | 79.2 | 23% | 0.228 | 40% | 0.398 | C | S | . | . | trans | -87.3 | 140.5 | 171.2 | -62.7 | -78.5 | 0 | 0 | 0 | 111.2 | L1883 Q1885 Q1892 W1893 L1896 | L1883-F1888 HydrophobicContact CB-CZ 4.06Å; L1883-F1888 HydrophobicContact CD1-CE1 4.35Å; L1883-F1888 HydrophobicContact CD1-CE2 4.26Å; L1883-F1888 HydrophobicContact CD1-CZ 3.65Å; L1883-F1888 HydrophobicContact CD2-CE1 4.1Å; L1883-F1888 HydrophobicContact CD2-CE2 4.37Å; L1883-F1888 HydrophobicContact CD2-CZ 4.24Å; L1883-F1888 HydrophobicContact CG-CZ 4.13Å; Q1885-F1888 HydrophobicContact CB-CE1 4.24Å; Q1885-F1888 HydrophobicContact CB-CZ 4.27Å; Q1885-F1888 VanDerWaalsContact OE1-CE1 3.26Å; F1888-Q1892 HydrophobicContact CB-CB 4.31Å; F1888-Q1892 HydrophobicContact CD1-CB 4.1Å; F1888-Q1892 HydrophobicContact CG-CB 4.35Å; F1888-W1893 HydrophobicContact CB-CB 4.41Å; F1888-W1893 HydrophobicContact CB-CE3 4.28Å; F1888-W1893 AromaticContact CD2-CD1 3.83Å; F1888-W1893 AromaticContact CD2-CE3 3.95Å; F1888-W1893 HydrophobicContact CD2-CE3 4.05Å; F1888-W1893 HydrophobicContact CD2-CZ3 4.26Å; F1888-W1893 AromaticContact CD2-NE1 3.79Å; F1888-W1893 HydrophobicContact CG-CE3 4.26Å; F1888-L1896 HydrophobicContact CD1-CD1 3.97Å; F1888-L1896 HydrophobicContact CD2-CD1 4.42Å; F1888-L1896 HydrophobicContact CE1-CD1 3.65Å; F1888-L1896 VanDerWaalsContact CE1-CD1 3.4Å; F1888-L1896 HydrophobicContact CE2-CD1 4.1Å; F1888-L1896 HydrophobicContact CG-CD1 4.33Å; F1888-L1896 HydrophobicContact CZ-CD1 3.93Å | ||
| 1889 | N | 47.4 | Very low | 58.2 | Low | 115 Ų | 115 | 84.1 Ų | 84.1 | 62% | 0.615 | 43% | 0.43 | S | S | * | . | trans | -63.9 | 146.3 | 158.2 | -87.7 | -27.2 | 0 | 0 | 0 | 109.1 | S1891 Q1892 W1893 | N1889-S1891 PolarHBondContact O-N 3.12Å; N1889-S1891 VanDerWaalsContact O-N 3.09Å; N1889-Q1892 HydrophobicContact CB-CG 4.33Å; N1889-Q1892 VanDerWaalsContact N-OE1 3.08Å; N1889-Q1892 WeakPolarHBondContact O-CA 3.35Å; N1889-Q1892 WeakPolarHBondContact O-CB 3.3Å; N1889-Q1892 PolarHBondContact O-N 3.17Å; N1889-W1893 PolarHBondContact O-N 2.94Å | ||
| 1890 | L | 45 | Very low | 55.8 | Low | 136.5 Ų | 136.5 | 89.4 Ų | 89.4 | 72% | 0.715 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -50.4 | -38.5 | -179.1 | -164 | 73.3 | 0 | 0 | 0 | 112.4 | Q1892 W1893 D1894 | L1890-Q1892 VanDerWaalsContact C-N 3.32Å; L1890-Q1892 PolarHBondContact O-N 3.08Å; L1890-W1893 WeakPolarHBondContact O-CB 3.4Å; L1890-W1893 PolarHBondContact O-N 3.22Å; L1890-W1893 VanDerWaalsContact O-N 3.16Å; L1890-D1894 VanDerWaalsContact O-CG 3.28Å; L1890-D1894 PolarHBondContact O-N 3.12Å |
| 1891 | S | 50 | Low | 53.4 | Low | 67.75 Ų | 67.75 | 93.5 Ų | 93.5 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -19.7 | 177.3 | 63 | 0 | 0 | 0 | 0 | 115.5 | N1889 R1895 | N1889-S1891 PolarHBondContact O-N 3.12Å; N1889-S1891 VanDerWaalsContact O-N 3.09Å; S1891-R1895 PolarHBondContact O-NE 2.9Å |
| 1892 | Q | 51.3 | Low | 50.9 | Low | 66.25 Ų | 66.25 | 95.3 Ų | 95.3 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84 | -34.2 | 170.7 | -68.8 | 171.3 | -29.5 | 0 | 0 | 110.6 | F1888 N1889 L1890 R1895 L1896 | F1888-Q1892 HydrophobicContact CB-CB 4.31Å; F1888-Q1892 HydrophobicContact CD1-CB 4.1Å; F1888-Q1892 HydrophobicContact CG-CB 4.35Å; N1889-Q1892 HydrophobicContact CB-CG 4.33Å; N1889-Q1892 VanDerWaalsContact N-OE1 3.08Å; N1889-Q1892 WeakPolarHBondContact O-CA 3.35Å; N1889-Q1892 WeakPolarHBondContact O-CB 3.3Å; N1889-Q1892 PolarHBondContact O-N 3.17Å; L1890-Q1892 VanDerWaalsContact C-N 3.32Å; L1890-Q1892 PolarHBondContact O-N 3.08Å; Q1892-R1895 WeakPolarHBondContact O-CB 3.07Å; Q1892-R1895 PolarHBondContact O-N 3.13Å; Q1892-L1896 WeakPolarHBondContact O-CG 3.43Å; Q1892-L1896 PolarHBondContact O-N 3.31Å; Q1892-L1896 VanDerWaalsContact O-N 3.1Å |
| 1893 | W | 50.6 | Low | 48.4 | Very low | 110.75 Ų | 110.75 | 99.1 Ų | 99.1 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 174.4 | -157.1 | -67.6 | 0 | 0 | 0 | 111.9 | F1888 N1889 L1890 R1895 L1896 T1897 I1970 | F1888-W1893 HydrophobicContact CB-CB 4.41Å; F1888-W1893 HydrophobicContact CB-CE3 4.28Å; F1888-W1893 AromaticContact CD2-CD1 3.83Å; F1888-W1893 AromaticContact CD2-CE3 3.95Å; F1888-W1893 HydrophobicContact CD2-CE3 4.05Å; F1888-W1893 HydrophobicContact CD2-CZ3 4.26Å; F1888-W1893 AromaticContact CD2-NE1 3.79Å; F1888-W1893 HydrophobicContact CG-CE3 4.26Å; N1889-W1893 PolarHBondContact O-N 2.94Å; L1890-W1893 WeakPolarHBondContact O-CB 3.4Å; L1890-W1893 PolarHBondContact O-N 3.22Å; L1890-W1893 VanDerWaalsContact O-N 3.16Å; W1893-R1895 PolarHBondContact O-N 3.23Å; W1893-L1896 WeakPolarHBondContact O-CA 3.38Å; W1893-L1896 WeakPolarHBondContact O-CB 3.3Å; W1893-L1896 PolarHBondContact O-N 3.27Å; W1893-L1896 VanDerWaalsContact O-N 3.1Å; W1893-T1897 HydrophobicContact CD2-CG2 4.12Å; W1893-T1897 VanDerWaalsContact CE2-CG2 3.5Å; W1893-T1897 HydrophobicContact CE3-CG2 3.94Å; W1893-T1897 VanDerWaalsContact CE3-CG2 3.47Å; W1893-T1897 HydrophobicContact CG-CG2 4.44Å; W1893-T1897 HydrophobicContact CH2-CG2 4.39Å; W1893-T1897 HydrophobicContact CZ2-CG2 3.98Å; W1893-T1897 HydrophobicContact CZ3-CG2 3.59Å; W1893-T1897 PolarHBondContact O-N 3.04Å; W1893-T1897 VanDerWaalsContact O-N 3.15Å; W1893-T1897 PolarHBondContact O-OG1 3.27Å; W1893-T1897 VanDerWaalsContact O-OG1 3.08Å; W1893-I1970 HydrophobicContact CH2-CD1 3.43Å; W1893-I1970 HydrophobicContact CZ2-CD1 3.96Å; W1893-I1970 HydrophobicContact CZ3-CD1 3.49Å; W1893-I1970 VanDerWaalsContact CZ3-CD1 3.44Å |
| 1894 | D | 51.1 | Low | 46.4 | Very low | 89.75 Ų | 89.75 | 104.3 Ų | 104.3 | 48% | 0.48 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.6 | -32 | 177.8 | -67.3 | -25.8 | 0 | 0 | 0 | 112.4 | L1890 M1898 | L1890-D1894 VanDerWaalsContact O-CG 3.28Å; L1890-D1894 PolarHBondContact O-N 3.12Å; D1894-M1898 WeakPolarHBondContact O-CB 3.3Å; D1894-M1898 PolarHBondContact O-N 3.01Å; D1894-M1898 VanDerWaalsContact O-N 3.13Å |
| 1895 | R | 52.5 | Low | 44.5 | Very low | 183.75 Ų | 183.75 | 110 Ų | 110 | 69% | 0.693 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.2 | -28.8 | 175.4 | -81.8 | -174.5 | -86.8 | -169.5 | -6.2 | 113.7 | S1891 Q1892 W1893 | S1891-R1895 PolarHBondContact O-NE 2.9Å; Q1892-R1895 WeakPolarHBondContact O-CB 3.07Å; Q1892-R1895 PolarHBondContact O-N 3.13Å; W1893-R1895 PolarHBondContact O-N 3.23Å |
| 1896 | L | 48.9 | Very low | 43 | Very low | 87.75 Ų | 87.75 | 113.8 Ų | 113.8 | 46% | 0.459 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -85.3 | -31.6 | 179.9 | -74.7 | 165.7 | 0 | 0 | 0 | 112.4 | L1883 F1888 Q1892 W1893 M1898 | L1883-L1896 HydrophobicContact CD1-CD1 4.42Å; F1888-L1896 HydrophobicContact CD1-CD1 3.97Å; F1888-L1896 HydrophobicContact CD2-CD1 4.42Å; F1888-L1896 HydrophobicContact CE1-CD1 3.65Å; F1888-L1896 VanDerWaalsContact CE1-CD1 3.4Å; F1888-L1896 HydrophobicContact CE2-CD1 4.1Å; F1888-L1896 HydrophobicContact CG-CD1 4.33Å; F1888-L1896 HydrophobicContact CZ-CD1 3.93Å; Q1892-L1896 WeakPolarHBondContact O-CG 3.43Å; Q1892-L1896 PolarHBondContact O-N 3.31Å; Q1892-L1896 VanDerWaalsContact O-N 3.1Å; W1893-L1896 WeakPolarHBondContact O-CA 3.38Å; W1893-L1896 WeakPolarHBondContact O-CB 3.3Å; W1893-L1896 PolarHBondContact O-N 3.27Å; W1893-L1896 VanDerWaalsContact O-N 3.1Å; L1896-M1898 PolarHBondContact O-N 2.95Å |
| 1897 | T | 47.1 | Very low | 41.7 | Very low | 52.25 Ų | 52.25 | 117.9 Ų | 117.9 | 32% | 0.321 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -89.7 | -14 | -175.7 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | W1893 P1899 | W1893-T1897 HydrophobicContact CD2-CG2 4.12Å; W1893-T1897 VanDerWaalsContact CE2-CG2 3.5Å; W1893-T1897 HydrophobicContact CE3-CG2 3.94Å; W1893-T1897 VanDerWaalsContact CE3-CG2 3.47Å; W1893-T1897 HydrophobicContact CG-CG2 4.44Å; W1893-T1897 HydrophobicContact CH2-CG2 4.39Å; W1893-T1897 HydrophobicContact CZ2-CG2 3.98Å; W1893-T1897 HydrophobicContact CZ3-CG2 3.59Å; W1893-T1897 PolarHBondContact O-N 3.04Å; W1893-T1897 VanDerWaalsContact O-N 3.15Å; W1893-T1897 PolarHBondContact O-OG1 3.27Å; W1893-T1897 VanDerWaalsContact O-OG1 3.08Å; T1897-P1899 WeakPolarHBondContact O-CD 3.42Å |
| 1898 | M | 37.7 | Very low | 40.8 | Very low | 146.5 Ų | 146.5 | 119.1 Ų | 119.1 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | trans | -112.4 | 82.4 | 175.9 | -65.5 | -67.1 | 154.2 | 0 | 0 | 110.6 | D1894 L1896 S1900 | D1894-M1898 WeakPolarHBondContact O-CB 3.3Å; D1894-M1898 PolarHBondContact O-N 3.01Å; D1894-M1898 VanDerWaalsContact O-N 3.13Å; L1896-M1898 PolarHBondContact O-N 2.95Å; M1898-S1900 PolarHBondContact O-N 2.99Å; M1898-S1900 VanDerWaalsContact O-N 3.11Å | ||
| 1899 | P | 39.4 | Very low | 39.9 | Very low | 103.75 Ų | 103.75 | 122.7 Ų | 122.7 | 67% | 0.674 | 66% | 0.664 | S | S | * | * | trans | -72.3 | 117.7 | 159.4 | 25.6 | -25.1 | 0 | 0 | 0 | 107 | T1897 Q1901 | T1897-P1899 WeakPolarHBondContact O-CD 3.42Å; P1899-Q1901 VanDerWaalsContact C-N 3.34Å; P1899-Q1901 PolarHBondContact O-N 3.17Å | ||
| 1900 | S | 35.2 | Very low | 38.9 | Very low | 117.5 Ų | 117.5 | 120.4 Ų | 120.4 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | trans | -45.5 | 104.7 | 176.7 | 51.6 | 0 | 0 | 0 | 0 | 110.4 | M1898 G1902 | M1898-S1900 PolarHBondContact O-N 2.99Å; M1898-S1900 VanDerWaalsContact O-N 3.11Å; S1900-G1902 VanDerWaalsContact C-N 3.3Å; S1900-G1902 PolarHBondContact O-N 3.11Å | ||
| 1901 | Q | 34.6 | Very low | 38.3 | Very low | 187.25 Ų | 187.25 | 120.5 Ų | 120.5 | 88% | 0.875 | 67% | 0.674 | S | S | * | * | trans | -77.5 | 101.1 | 165.4 | -78.4 | -174.9 | -15.9 | 0 | 0 | 106.9 | P1899 S1903 | P1899-Q1901 VanDerWaalsContact C-N 3.34Å; P1899-Q1901 PolarHBondContact O-N 3.17Å; Q1901-S1903 PolarHBondContact O-N 3.11Å; Q1901-S1903 VanDerWaalsContact O-N 3.17Å | ||
| 1902 | G | 31.2 | Very low | 37.1 | Very low | 68.75 Ų | 68.75 | 124.8 Ų | 124.8 | 71% | 0.709 | 69% | 0.691 | S | S | * | * | trans | -58.8 | 117.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.2 | S1900 I1904 | S1900-G1902 VanDerWaalsContact C-N 3.3Å; S1900-G1902 PolarHBondContact O-N 3.11Å; G1902-I1904 PolarHBondContact O-N 3Å | ||
| 1903 | S | 28.7 | Very low | 36.1 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | 5.4 | 94 | 162 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | Q1901 E1905 | Q1901-S1903 PolarHBondContact O-N 3.11Å; Q1901-S1903 VanDerWaalsContact O-N 3.17Å; S1903-E1905 PolarHBondContact O-N 2.81Å | ||
| 1904 | I | 33.4 | Very low | 35 | Very low | 162.5 Ų | 162.5 | 129.9 Ų | 129.9 | 83% | 0.833 | 73% | 0.732 | S | S | * | * | trans | -111.5 | 104.8 | 143.6 | -60.1 | 176.5 | 0 | 0 | 0 | 108.6 | G1902 K1906 | G1902-I1904 PolarHBondContact O-N 3Å; I1904-K1906 HydrophobicContact CG2-CG 4.5Å; I1904-K1906 PolarHBondContact O-N 2.98Å; I1904-K1906 VanDerWaalsContact O-N 3.08Å | ||
| 1905 | E | 29 | Very low | 33.8 | Very low | 169.5 Ų | 169.5 | 132.4 Ų | 132.4 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -62.7 | 123.5 | 167.8 | -70.6 | -179.9 | 147.5 | 0 | 0 | 110.1 | S1903 T1907 | S1903-E1905 PolarHBondContact O-N 2.81Å; E1905-T1907 PolarHBondContact O-N 2.94Å | ||
| 1906 | K | 31.4 | Very low | 32.6 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -155 | 102.4 | 147.1 | -81.5 | 172.9 | -179 | 170.3 | 0 | 112.7 | I1904 L1908 | I1904-K1906 HydrophobicContact CG2-CG 4.5Å; I1904-K1906 PolarHBondContact O-N 2.98Å; I1904-K1906 VanDerWaalsContact O-N 3.08Å; K1906-L1908 PolarHBondContact O-N 2.87Å | ||
| 1907 | T | 30 | Very low | 31.5 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | 14.6 | 115.3 | 154.2 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | E1905 | E1905-T1907 PolarHBondContact O-N 2.94Š| ||
| 1908 | L | 30.3 | Very low | 30.4 | Very low | 166.5 Ų | 166.5 | 139.3 Ų | 139.3 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | -155.1 | 141.8 | 118.3 | -119.7 | 91 | 0 | 0 | 0 | 112.4 | K1906 G1910 | K1906-L1908 PolarHBondContact O-N 2.87Å; L1908-G1910 PolarHBondContact O-N 3.24Å | |||
| 1909 | P | 32.6 | Very low | 29.9 | Very low | 127.5 Ų | 127.5 | 137.8 Ų | 137.8 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -94.1 | 146 | -173.3 | 36.4 | -31.1 | 0 | 0 | 0 | 113.1 | ||||
| 1910 | G | 27.4 | Very low | 29.3 | Very low | 66.75 Ų | 66.75 | 139.5 Ų | 139.5 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | trans | 119.9 | 101.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1908 | L1908-G1910 PolarHBondContact O-N 3.24Š| ||
| 1911 | T | 31.3 | Very low | 28.8 | Very low | 138.75 Ų | 138.75 | 142.2 Ų | 142.2 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | 178.5 | 128.9 | 91.4 | 35.1 | 0 | 0 | 0 | 0 | 109.8 | L1913 | T1911-L1913 PolarHBondContact O-N 3.07Å; T1911-L1913 VanDerWaalsContact O-N 3.13Å | |||
| 1912 | N | 26 | Very low | 28.4 | Very low | 156.25 Ų | 156.25 | 141.9 Ų | 141.9 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -53 | 117.6 | 174.2 | -62.9 | -32.1 | 0 | 0 | 0 | 113 | ||||
| 1913 | L | 29.1 | Very low | 28.1 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -127.1 | 106.2 | 147.1 | -102.9 | 135.5 | 0 | 0 | 0 | 108.9 | T1911 N1915 | T1911-L1913 PolarHBondContact O-N 3.07Å; T1911-L1913 VanDerWaalsContact O-N 3.13Å; L1913-N1915 PolarHBondContact O-N 3.29Å | ||
| 1914 | T | 27.4 | Very low | 28 | Very low | 110.5 Ų | 110.5 | 148.8 Ų | 148.8 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -75.4 | 141.3 | -176.8 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | L1916 | T1914-L1916 PolarHBondContact O-N 3.3Š| ||
| 1915 | N | 26.3 | Very low | 27.6 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | 67.3 | 97.6 | 155.4 | -61.7 | -18.2 | 0 | 0 | 0 | 117.2 | L1913 Q1917 | L1913-N1915 PolarHBondContact O-N 3.29Å; N1915-Q1917 HydrophobicContact CB-CG 4.33Å; N1915-Q1917 PolarHBondContact O-N 2.92Å | ||
| 1916 | L | 27.1 | Very low | 27.6 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | trans | -138.4 | 96.4 | 132.4 | -98.5 | 150.1 | 0 | 0 | 0 | 108.3 | T1914 | T1914-L1916 PolarHBondContact O-N 3.3Š| ||
| 1917 | Q | 26 | Very low | 27.4 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -79.2 | 136 | 171.5 | -75.3 | -179.7 | -30.1 | 0 | 0 | 110.4 | N1915 | N1915-Q1917 HydrophobicContact CB-CG 4.33Å; N1915-Q1917 PolarHBondContact O-N 2.92Å | ||
| 1918 | S | 24.8 | Very low | 27.3 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 88.6 | 103.1 | 145.1 | 67 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1919 | S | 26.9 | Very low | 27.2 | Very low | 115.25 Ų | 115.25 | 141.8 Ų | 141.8 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | -139 | 111.9 | 120.3 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | M1921 | S1919-M1921 PolarHBondContact O-N 3.28Š| |||
| 1920 | T | 25.9 | Very low | 27 | Very low | 138.75 Ų | 138.75 | 142.6 Ų | 142.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -18.1 | 112.9 | 157.3 | 5.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1921 | M | 25.5 | Very low | 27 | Very low | 174 Ų | 174 | 147 Ų | 147 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -98 | 131.7 | 149.9 | -92.6 | -157.1 | 115.7 | 0 | 0 | 112.4 | S1919 | S1919-M1921 PolarHBondContact O-N 3.28Š| ||
| 1922 | M | 26.6 | Very low | 26.9 | Very low | 181.75 Ų | 181.75 | 149 Ų | 149 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -82.6 | 125.9 | 172.5 | -80.1 | -154.1 | 173.2 | 0 | 0 | 111.8 | T1924 | M1922-T1924 PolarHBondContact O-N 3.23Š| ||
| 1923 | K | 25.3 | Very low | 26.9 | Very low | 191.5 Ų | 191.5 | 149.9 Ų | 149.9 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | trans | -58.9 | 114.5 | 164.7 | -72.3 | 173.1 | 173.6 | 177 | 0 | 110.7 | ||||
| 1924 | T | 25.6 | Very low | 26.8 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 83.6 | 150.6 | 41.1 | 0 | 0 | 0 | 0 | 108.3 | M1922 T1926 | M1922-T1924 PolarHBondContact O-N 3.23Å; T1924-T1926 PolarHBondContact O-N 3.32Å | ||
| 1925 | A | 24.9 | Very low | 26.9 | Very low | 98.25 Ų | 98.25 | 146.5 Ų | 146.5 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -97 | 97.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1926 | T | 28.5 | Very low | 26.9 | Very low | 123.75 Ų | 123.75 | 145.9 Ų | 145.9 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -139.3 | 86 | 166.3 | 46.2 | 0 | 0 | 0 | 0 | 108.7 | T1924 L1928 | T1924-T1926 PolarHBondContact O-N 3.32Å; T1926-L1928 PolarHBondContact O-N 2.88Å | ||
| 1927 | T | 27.3 | Very low | 26.9 | Very low | 132.5 Ų | 132.5 | 141.7 Ų | 141.7 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 97.3 | 67.8 | 147.3 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1928 | L | 28.3 | Very low | 26.9 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -129 | 41.1 | 158.2 | -148.2 | 93 | 0 | 0 | 0 | 111.9 | T1926 N1930 | T1926-L1928 PolarHBondContact O-N 2.88Å; L1928-N1930 VanDerWaalsContact C-N 3.31Å; L1928-N1930 PolarHBondContact O-N 3.38Å |
| 1929 | N | 27.8 | Very low | 27.1 | Very low | 142.25 Ų | 142.25 | 141.4 Ų | 141.4 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -87 | 63.5 | 173.3 | -75.3 | -7 | 0 | 0 | 0 | 111.5 | ||||
| 1930 | N | 28.1 | Very low | 27 | Very low | 145.25 Ų | 145.25 | 141.7 Ų | 141.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -145.5 | 31.3 | 171.3 | -70.5 | 0.8 | 0 | 0 | 0 | 115.2 | L1928 | L1928-N1930 VanDerWaalsContact C-N 3.31Å; L1928-N1930 PolarHBondContact O-N 3.38Å | ||
| 1931 | I | 29.2 | Very low | 27.1 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -116 | 29 | 162.2 | -64.3 | 169 | 0 | 0 | 0 | 110.1 | ||||
| 1932 | Q | 28.2 | Very low | 27.3 | Very low | 181.5 Ų | 181.5 | 138.8 Ų | 138.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -106.2 | 29.8 | 178.1 | -156 | 161.2 | -4.4 | 0 | 0 | 111 | ||||
| 1933 | E | 26.9 | Very low | 27.2 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -126 | 55.5 | 173.2 | -85 | 179.8 | 171.1 | 0 | 0 | 112.5 | T1936 S1937 | E1933-T1936 PolarHBondContact O-OG1 2.8Å; E1933-S1937 PolarHBondContact O-OG 3.05Å | ||
| 1934 | A | 27.2 | Very low | 27.4 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -130.9 | 7.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1937 | A1934-S1937 PolarHBondContact O-OG 2.67Š|
| 1935 | V | 28.6 | Very low | 27.4 | Very low | 129.25 Ų | 129.25 | 136 Ų | 136 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -125.5 | 48.3 | 166.8 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | S1937 | V1935-S1937 VanDerWaalsContact C-N 3.35Å; V1935-S1937 PolarHBondContact O-N 3.15Å | ||
| 1936 | T | 26.1 | Very low | 27.6 | Very low | 128.75 Ų | 128.75 | 139 Ų | 139 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -110.4 | 67.2 | 165.7 | 36.6 | 0 | 0 | 0 | 0 | 109.9 | E1933 T1938 | E1933-T1936 PolarHBondContact O-OG1 2.8Å; T1936-T1938 PolarHBondContact O-N 3.22Å; T1936-T1938 VanDerWaalsContact O-N 3.14Å | ||
| 1937 | S | 27.2 | Very low | 27.5 | Very low | 92.25 Ų | 92.25 | 139.8 Ų | 139.8 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | trans | -117.1 | 87.8 | 165.8 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | E1933 A1934 V1935 I1939 | E1933-S1937 PolarHBondContact O-OG 3.05Å; A1934-S1937 PolarHBondContact O-OG 2.67Å; V1935-S1937 VanDerWaalsContact C-N 3.35Å; V1935-S1937 PolarHBondContact O-N 3.15Å; S1937-I1939 PolarHBondContact O-N 3.46Å | ||
| 1938 | T | 25.3 | Very low | 27.4 | Very low | 125.25 Ų | 125.25 | 136.8 Ų | 136.8 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | trans | 39.4 | 75.1 | 152 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | T1936 | T1936-T1938 PolarHBondContact O-N 3.22Å; T1936-T1938 VanDerWaalsContact O-N 3.14Å | ||
| 1939 | I | 29.1 | Very low | 27.5 | Very low | 155.5 Ų | 155.5 | 138.3 Ų | 138.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -114.2 | 90.9 | 145.9 | -58.8 | 176.8 | 0 | 0 | 0 | 106.1 | S1937 T1941 | S1937-I1939 PolarHBondContact O-N 3.46Å; I1939-T1941 HydrophobicContact CG2-CG2 3.97Å; I1939-T1941 PolarHBondContact O-N 3.08Å; I1939-T1941 VanDerWaalsContact O-N 3.11Å | ||
| 1940 | T | 26.6 | Very low | 27.4 | Very low | 121.25 Ų | 121.25 | 136.8 Ų | 136.8 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -70.9 | 104.3 | 166.9 | 43.2 | 0 | 0 | 0 | 0 | 108.3 | T1942 | T1940-T1942 PolarHBondContact O-N 3.36Š| ||
| 1941 | T | 27.9 | Very low | 27.5 | Very low | 126.25 Ų | 126.25 | 136.4 Ų | 136.4 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -64 | 105.6 | 163 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | I1939 E1943 | I1939-T1941 HydrophobicContact CG2-CG2 3.97Å; I1939-T1941 PolarHBondContact O-N 3.08Å; I1939-T1941 VanDerWaalsContact O-N 3.11Å; T1941-E1943 PolarHBondContact O-N 2.89Å | ||
| 1942 | T | 28.8 | Very low | 27.3 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -82.7 | 116.2 | 163.5 | 41.4 | 0 | 0 | 0 | 0 | 109 | T1940 T1944 | T1940-T1942 PolarHBondContact O-N 3.36Å; T1942-T1944 PolarHBondContact O-N 3.42Å | ||
| 1943 | E | 24.6 | Very low | 27.4 | Very low | 186.75 Ų | 186.75 | 133.2 Ų | 133.2 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | trans | -60.4 | 121.6 | 169.4 | -63.9 | 170.8 | 155.5 | 0 | 0 | 110.1 | T1941 | T1941-E1943 PolarHBondContact O-N 2.89Š| ||
| 1944 | T | 29.5 | Very low | 27.3 | Very low | 132.5 Ų | 132.5 | 129.1 Ų | 129.1 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -130.5 | 105.8 | 153.4 | 45.9 | 0 | 0 | 0 | 0 | 108 | T1942 D1946 | T1942-T1944 PolarHBondContact O-N 3.42Å; T1944-D1946 PolarHBondContact O-N 3.23Å | ||
| 1945 | T | 25.9 | Very low | 27.4 | Very low | 128.25 Ų | 128.25 | 132.5 Ų | 132.5 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -61.1 | 121.6 | 160.4 | 43.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1946 | D | 28.8 | Very low | 27.3 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -153.9 | 124.6 | 143.3 | -97.5 | -24.4 | 0 | 0 | 0 | 111.2 | T1944 | T1944-D1946 PolarHBondContact O-N 3.23Š| ||
| 1947 | T | 26.1 | Very low | 27.3 | Very low | 139.75 Ų | 139.75 | 134 Ų | 134 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -77.1 | 141.4 | -178.1 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1948 | G | 26 | Very low | 27.3 | Very low | 69.75 Ų | 69.75 | 137 Ų | 137 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | 132.7 | 114.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1949 | Q | 29.6 | Very low | 27.4 | Very low | 193.5 Ų | 193.5 | 135.4 Ų | 135.4 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | trans | 87.9 | 109.8 | 142.6 | -60 | -175.5 | -4.1 | 0 | 0 | 119.7 | V1951 | Q1949-V1951 PolarHBondContact O-N 2.97Š| ||
| 1950 | S | 25.1 | Very low | 27.2 | Very low | 110.5 Ų | 110.5 | 134.9 Ų | 134.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -53.6 | 133.5 | 160.2 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1951 | V | 30.4 | Very low | 27.1 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -140 | 122.9 | 140.3 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | Q1949 S1953 | Q1949-V1951 PolarHBondContact O-N 2.97Å; V1951-S1953 PolarHBondContact O-N 3.26Å | ||
| 1952 | N | 26.2 | Very low | 27.1 | Very low | 152.75 Ų | 152.75 | 134.4 Ų | 134.4 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -56.6 | 132.1 | 172.7 | -66.2 | -32.3 | 0 | 0 | 0 | 112.2 | ||||
| 1953 | S | 28.5 | Very low | 27 | Very low | 120.75 Ų | 120.75 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | trans | -147.8 | 108.4 | 144.8 | -116.5 | 0 | 0 | 0 | 0 | 109.6 | V1951 N1955 | V1951-S1953 PolarHBondContact O-N 3.26Å; S1953-N1955 PolarHBondContact O-N 3.19Å | ||
| 1954 | A | 25.8 | Very low | 27.4 | Very low | 87.5 Ų | 87.5 | 129.8 Ų | 129.8 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 132.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1955 | N | 29.3 | Very low | 27.6 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -169.6 | 96.4 | 142.9 | -89.9 | -19.1 | 0 | 0 | 0 | 111.5 | S1953 T1957 | S1953-N1955 PolarHBondContact O-N 3.19Å; N1955-T1957 PolarHBondContact O-N 3.16Å; N1955-T1957 VanDerWaalsContact O-N 3.14Å | ||
| 1956 | N | 25.9 | Very low | 28.3 | Very low | 157.5 Ų | 157.5 | 130.6 Ų | 130.6 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -51.1 | 109.6 | 167.4 | -70.7 | -23.8 | 0 | 0 | 0 | 112.4 | I1958 | N1956-I1958 VanDerWaalsContact C-N 3.25Å; N1956-I1958 PolarHBondContact O-N 3.35Å | ||
| 1957 | T | 27.2 | Very low | 29.1 | Very low | 132.75 Ų | 132.75 | 128.1 Ų | 128.1 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | -116.2 | 115.1 | 142.2 | 40.6 | 0 | 0 | 0 | 0 | 108.2 | N1955 S1959 | N1955-T1957 PolarHBondContact O-N 3.16Å; N1955-T1957 VanDerWaalsContact O-N 3.14Å; T1957-S1959 VanDerWaalsContact C-N 3.3Å; T1957-S1959 PolarHBondContact O-N 3.17Å | ||
| 1958 | I | 26.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -63.8 | 96.4 | 175.1 | -64.3 | 161.6 | 0 | 0 | 0 | 106.4 | N1956 N1960 | N1956-I1958 VanDerWaalsContact C-N 3.25Å; N1956-I1958 PolarHBondContact O-N 3.35Å; I1958-N1960 VanDerWaalsContact C-N 3.33Å; I1958-N1960 PolarHBondContact O-N 3.1Å; I1958-N1960 VanDerWaalsContact O-N 3.1Å | ||
| 1959 | S | 26.8 | Very low | 32.4 | Very low | 90.75 Ų | 90.75 | 123.5 Ų | 123.5 | 64% | 0.635 | 73% | 0.727 | S | S | * | * | trans | -82.7 | 103.2 | 162 | 56 | 0 | 0 | 0 | 0 | 107.1 | T1957 N1961 | T1957-S1959 VanDerWaalsContact C-N 3.3Å; T1957-S1959 PolarHBondContact O-N 3.17Å; S1959-N1961 PolarHBondContact O-N 3.26Å | ||
| 1960 | N | 25 | Very low | 34.5 | Very low | 144.5 Ų | 144.5 | 116.6 Ų | 116.6 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 86.8 | 165.3 | -82.8 | -19.8 | 0 | 0 | 0 | 107.8 | I1958 S1962 | I1958-N1960 VanDerWaalsContact C-N 3.33Å; I1958-N1960 PolarHBondContact O-N 3.1Å; I1958-N1960 VanDerWaalsContact O-N 3.1Å; N1960-S1962 VanDerWaalsContact C-N 3.33Å; N1960-S1962 PolarHBondContact O-N 3.23Å | ||
| 1961 | N | 25.5 | Very low | 37.2 | Very low | 148.75 Ų | 148.75 | 111.3 Ų | 111.3 | 80% | 0.795 | 66% | 0.659 | S | S | * | * | trans | -71.3 | 78 | 154.1 | -79.5 | -8.6 | 0 | 0 | 0 | 106.3 | S1959 S1963 | S1959-N1961 PolarHBondContact O-N 3.26Å; N1961-S1963 PolarHBondContact O-N 3.16Å; N1961-S1963 VanDerWaalsContact O-N 3.16Å | ||
| 1962 | S | 27.1 | Very low | 39.7 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | trans | -59.2 | 105.7 | 159.2 | 50.8 | 0 | 0 | 0 | 0 | 105.6 | N1960 T1964 | N1960-S1962 VanDerWaalsContact C-N 3.33Å; N1960-S1962 PolarHBondContact O-N 3.23Å; S1962-T1964 PolarHBondContact O-N 3.04Å | ||
| 1963 | S | 27.4 | Very low | 42.5 | Very low | 118.5 Ų | 118.5 | 98.9 Ų | 98.9 | 83% | 0.829 | 59% | 0.589 | S | S | * | * | trans | -54 | 83.9 | 163.1 | 45.8 | 0 | 0 | 0 | 0 | 108 | N1961 S1965 | N1961-S1963 PolarHBondContact O-N 3.16Å; N1961-S1963 VanDerWaalsContact O-N 3.16Å; S1963-S1965 VanDerWaalsContact C-N 3.32Å; S1963-S1965 PolarHBondContact O-N 2.83Å | ||
| 1964 | T | 32.6 | Very low | 45.2 | Very low | 99.75 Ų | 99.75 | 94.6 Ų | 94.6 | 61% | 0.612 | 56% | 0.559 | S | S | * | * | trans | -65.1 | 109.3 | 165.8 | 47.6 | 0 | 0 | 0 | 0 | 104.8 | S1962 H1966 | S1962-T1964 PolarHBondContact O-N 3.04Å; T1964-H1966 VanDerWaalsContact C-N 3.32Å; T1964-H1966 PolarHBondContact O-N 3.05Å | ||
| 1965 | S | 33.1 | Very low | 48.2 | Very low | 102.5 Ų | 102.5 | 90.4 Ų | 90.4 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | trans | -44.5 | 107.3 | 170.3 | 47.7 | 0 | 0 | 0 | 0 | 107.8 | S1963 I1967 | S1963-S1965 VanDerWaalsContact C-N 3.32Å; S1963-S1965 PolarHBondContact O-N 2.83Å; S1965-I1967 VanDerWaalsContact C-N 3.34Å; S1965-I1967 PolarHBondContact O-N 3.27Å | ||
| 1966 | H | 40.8 | Very low | 51.1 | Low | 173.75 Ų | 173.75 | 83 Ų | 83 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | trans | -61.9 | 94.9 | -179.2 | -82.2 | -78.3 | 0 | 0 | 0 | 108.2 | T1964 P1968 | T1964-H1966 VanDerWaalsContact C-N 3.32Å; T1964-H1966 PolarHBondContact O-N 3.05Å; H1966-P1968 WeakPolarHBondContact O-CD 3.26Å; H1966-P1968 VanDerWaalsContact O-N 3.15Å | ||
| 1967 | I | 46.4 | Very low | 54.2 | Low | 109.75 Ų | 109.75 | 75.9 Ų | 75.9 | 56% | 0.563 | 45% | 0.447 | S | S | * | . | trans | -61.3 | 119.3 | 166.7 | -60.3 | 170.5 | 0 | 0 | 0 | 104.8 | S1965 C1969 | S1965-I1967 VanDerWaalsContact C-N 3.34Å; S1965-I1967 PolarHBondContact O-N 3.27Å; I1967-C1969 PolarHBondContact O-N 3.3Å; I1967-C1969 VanDerWaalsContact O-N 3.12Å | ||
| 1968 | P | 55 | Low | 57.2 | Low | 85.75 Ų | 85.75 | 70.6 Ų | 70.6 | 56% | 0.557 | 42% | 0.415 | S | S | * | . | trans | -60 | 116.3 | 177.8 | 22.5 | -29.9 | 0 | 0 | 0 | 107.9 | H1966 I1970 | H1966-P1968 WeakPolarHBondContact O-CD 3.26Å; H1966-P1968 VanDerWaalsContact O-N 3.15Å; P1968-I1970 PolarHBondContact O-N 3.18Å; P1968-I1970 VanDerWaalsContact O-N 3.12Å | ||
| 1969 | C | 65.3 | Low | 60.3 | Low | 25.5 Ų | 25.5 | 63.2 Ų | 63.2 | 17% | 0.172 | 38% | 0.377 | C | S | . | . | trans | -60.7 | 113.4 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | R1703 S1881 I1967 | R1703-C1969 PolarHBondContact NH1-SG 3.14Å; S1881-C1969 WeakPolarHBondContact CB-O 3.28Å; S1881-C1969 PolarHBondContact OG-O 3.08Å; S1881-C1969 VanDerWaalsContact OG-O 3.14Å; I1967-C1969 PolarHBondContact O-N 3.3Å; I1967-C1969 VanDerWaalsContact O-N 3.12Å | ||
| 1970 | I | 73.9 | Confident | 63.5 | Low | 49.5 Ų | 49.5 | 59 Ų | 59 | 25% | 0.254 | 35% | 0.347 | S | S | . | . | trans | -87 | 132.4 | -180 | -64.7 | 169.9 | 0 | 0 | 0 | 109 | C1700 L1883 W1893 P1968 | C1700-I1970 PolarHBondContact SG-O 3.09Å; L1883-I1970 HydrophobicContact CD1-CG1 4.38Å; L1883-I1970 HydrophobicContact CD1-CG2 4.01Å; W1893-I1970 HydrophobicContact CH2-CD1 3.43Å; W1893-I1970 HydrophobicContact CZ2-CD1 3.96Å; W1893-I1970 HydrophobicContact CZ3-CD1 3.49Å; W1893-I1970 VanDerWaalsContact CZ3-CD1 3.44Å; P1968-I1970 PolarHBondContact O-N 3.18Å; P1968-I1970 VanDerWaalsContact O-N 3.12Å | ||
| 1971 | C | 81.6 | Confident | 66.6 | Low | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 117.2 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | L1878 S1881 L1883 | L1878-C1971 HydrophobicContact CD2-CB 4.18Å; L1878-C1971 WeakPolarHBondContact CD2-SG 3.31Å; L1878-C1971 HydrophobicContact CG-CB 4.02Å; L1878-C1971 VanDerWaalsContact O-CB 3.29Å; L1878-C1971 WeakPolarHBondContact O-CB 3.3Å; L1878-C1971 PolarHBondContact O-SG 3.04Å; L1878-C1971 VanDerWaalsContact O-SG 3.36Å; S1881-C1971 PolarHBondContact O-N 3.11Å; L1883-C1971 PolarHBondContact N-O 3.26Å; L1883-C1971 VanDerWaalsContact N-O 3.12Å |
| 1972 | T | 84 | Confident | 69.8 | Low | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | trans | -85.5 | 156.1 | 173.6 | 55.6 | 0 | 0 | 0 | 0 | 111.2 | C1700 S1974 L1975 L1976 | C1700-T1972 HydrophobicContact CB-CG2 4.21Å; T1972-S1974 PolarHBondContact O-N 3.43Å; T1972-S1974 VanDerWaalsContact O-N 3.16Å; T1972-S1974 PolarHBondContact OG1-OG 2.94Å; T1972-L1975 PolarHBondContact O-N 3.2Å; T1972-L1975 VanDerWaalsContact O-N 3.09Å; T1972-L1975 WeakPolarHBondContact OG1-CB 3.4Å; T1972-L1975 PolarHBondContact OG1-N 2.98Å; T1972-L1976 PolarHBondContact O-N 3.21Å | ||
| 1973 | P | 84 | Confident | 72.9 | Confident | 1.5 Ų | 1.5 | 44.4 Ų | 44.4 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -33.9 | 178 | -14.5 | 19.7 | 0 | 0 | 0 | 113.1 | L1883 T1886 S1977 V2052 C2055 | L1883-P1973 WeakPolarHBondContact O-CD 3.28Å; T1886-P1973 HydrophobicContact CG2-CG 4.14Å; P1973-S1977 WeakPolarHBondContact O-CB 3.32Å; P1973-S1977 PolarHBondContact O-N 3.1Å; P1973-V2052 HydrophobicContact CB-CG2 4.33Å; P1973-V2052 HydrophobicContact CG-CG2 4.12Å; P1973-C2055 HydrophobicContact CB-CB 4.05Å; P1973-C2055 WeakPolarHBondContact O-CB 3.27Å |
| 1974 | S | 85.8 | Confident | 75.9 | Confident | 30.75 Ų | 30.75 | 39.6 Ų | 39.6 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 176 | 31.2 | 0 | 0 | 0 | 0 | 112.8 | I1704 T1972 S1977 T1978 Q2051 | I1704-S1974 VanDerWaalsContact CD1-OG 3.28Å; I1704-S1974 WeakPolarHBondContact CD1-OG 3.37Å; T1972-S1974 PolarHBondContact O-N 3.43Å; T1972-S1974 VanDerWaalsContact O-N 3.16Å; T1972-S1974 PolarHBondContact OG1-OG 2.94Å; S1974-S1977 WeakPolarHBondContact O-CB 3.21Å; S1974-S1977 PolarHBondContact O-N 2.91Å; S1974-T1978 PolarHBondContact O-N 3.01Å; S1974-T1978 VanDerWaalsContact O-N 3.11Å; S1974-T1978 PolarHBondContact O-OG1 3.05Å; S1974-Q2051 WeakPolarHBondContact OG-CG 3.49Å; S1974-Q2051 PolarHBondContact OG-OE1 3.11Å |
| 1975 | L | 89.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -50.3 | 174.9 | 178.4 | 61.5 | 0 | 0 | 0 | 110.6 | C1700 R1703 I1704 L1878 T1972 S1977 T1978 V1979 | C1700-L1975 HydrophobicContact CB-CB 4.46Å; C1700-L1975 HydrophobicContact CB-CD2 4.42Å; R1703-L1975 HydrophobicContact CB-CD1 3.62Å; R1703-L1975 HydrophobicContact CB-CD2 4.4Å; I1704-L1975 HydrophobicContact CD1-CB 4.26Å; I1704-L1975 HydrophobicContact CG1-CB 3.95Å; I1704-L1975 HydrophobicContact CG1-CD1 3.92Å; L1878-L1975 HydrophobicContact CD1-CD2 4.05Å; L1878-L1975 HydrophobicContact CD1-CG 4.3Å; T1972-L1975 PolarHBondContact O-N 3.2Å; T1972-L1975 VanDerWaalsContact O-N 3.09Å; T1972-L1975 WeakPolarHBondContact OG1-CB 3.4Å; T1972-L1975 PolarHBondContact OG1-N 2.98Å; L1975-S1977 VanDerWaalsContact C-N 3.3Å; L1975-S1977 PolarHBondContact O-N 3.36Å; L1975-T1978 PolarHBondContact O-N 3.05Å; L1975-T1978 VanDerWaalsContact O-N 3.15Å; L1975-T1978 PolarHBondContact O-OG1 3.23Å; L1975-V1979 HydrophobicContact CD1-CG2 4.02Å; L1975-V1979 HydrophobicContact CG-CG2 4.41Å; L1975-V1979 VanDerWaalsContact O-CG2 3.31Å; L1975-V1979 WeakPolarHBondContact O-CG2 3.22Å; L1975-V1979 PolarHBondContact O-N 3.12Å |
| 1976 | L | 90.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 178.1 | -178.3 | 59.1 | 0 | 0 | 0 | 111.4 | L1878 V1879 H1882 T1972 T1978 V1979 I1980 I2010 | L1878-L1976 HydrophobicContact CD2-CB 4.4Å; L1878-L1976 HydrophobicContact CD2-CD1 3.83Å; V1879-L1976 HydrophobicContact CG2-CD1 3.88Å; H1882-L1976 HydrophobicContact CB-CD2 4.42Å; H1882-L1976 VanDerWaalsContact CD2-CD2 3.41Å; H1882-L1976 WeakPolarHBondContact CD2-CD2 3.32Å; T1972-L1976 PolarHBondContact O-N 3.21Å; L1976-T1978 VanDerWaalsContact C-N 3.33Å; L1976-T1978 PolarHBondContact O-N 3.24Å; L1976-V1979 PolarHBondContact O-N 3.13Å; L1976-I1980 HydrophobicContact CD1-CD1 3.8Å; L1976-I1980 HydrophobicContact CD1-CG1 4.01Å; L1976-I1980 HydrophobicContact CD2-CD1 4.34Å; L1976-I1980 HydrophobicContact CG-CD1 3.71Å; L1976-I1980 HydrophobicContact CG-CG1 4.33Å; L1976-I1980 WeakPolarHBondContact O-CB 3.39Å; L1976-I1980 VanDerWaalsContact O-CG1 3.26Å; L1976-I1980 WeakPolarHBondContact O-CG1 3.36Å; L1976-I1980 PolarHBondContact O-N 3.16Å; L1976-I2010 HydrophobicContact CD2-CD1 3.61Å; L1976-I2010 HydrophobicContact CD2-CG2 4.47Å |
| 1977 | S | 90.8 | Very high | 83.5 | Confident | 9.25 Ų | 9.25 | 23.3 Ų | 23.3 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | P1973 S1974 L1975 H1981 N2058 | P1973-S1977 WeakPolarHBondContact O-CB 3.32Å; P1973-S1977 PolarHBondContact O-N 3.1Å; S1974-S1977 WeakPolarHBondContact O-CB 3.21Å; S1974-S1977 PolarHBondContact O-N 2.91Å; L1975-S1977 VanDerWaalsContact C-N 3.3Å; L1975-S1977 PolarHBondContact O-N 3.36Å; S1977-H1981 PolarHBondContact O-N 3.32Å; S1977-H1981 VanDerWaalsContact O-N 3.11Å; S1977-N2058 PolarHBondContact O-ND2 2.79Å; S1977-N2058 PolarHBondContact OG-ND2 3.18Å |
| 1978 | T | 90 | Very high | 85.3 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 13% | 0.129 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.9 | -39.4 | 178.3 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | I1704 T1707 Q1708 I1711 S1974 L1975 L1976 I1980 H1981 L1982 | I1704-T1978 HydrophobicContact CG2-CG2 4.13Å; T1707-T1978 VanDerWaalsContact CG2-C 3.49Å; T1707-T1978 WeakPolarHBondContact CG2-O 3.41Å; Q1708-T1978 HydrophobicContact CG-CG2 4.46Å; I1711-T1978 WeakPolarHBondContact CD1-O 3.4Å; S1974-T1978 PolarHBondContact O-N 3.01Å; S1974-T1978 VanDerWaalsContact O-N 3.11Å; S1974-T1978 PolarHBondContact O-OG1 3.05Å; L1975-T1978 PolarHBondContact O-N 3.05Å; L1975-T1978 VanDerWaalsContact O-N 3.15Å; L1975-T1978 PolarHBondContact O-OG1 3.23Å; L1976-T1978 VanDerWaalsContact C-N 3.33Å; L1976-T1978 PolarHBondContact O-N 3.24Å; T1978-I1980 VanDerWaalsContact C-N 3.33Å; T1978-I1980 PolarHBondContact O-N 3.08Å; T1978-H1981 WeakPolarHBondContact O-CB 3.33Å; T1978-H1981 PolarHBondContact O-N 3.28Å; T1978-H1981 VanDerWaalsContact O-N 3.16Å; T1978-L1982 PolarHBondContact O-N 3.18Å |
| 1979 | V | 92.5 | Very high | 86.6 | Confident | 0.5 Ų | 0.5 | 22.3 Ų | 22.3 | 0% | 0.003 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L1693 T1707 F1871 L1875 L1878 L1975 L1976 H1981 L1982 L1983 | L1693-V1979 HydrophobicContact CD1-CG2 4.08Å; T1707-V1979 HydrophobicContact CG2-CG2 4.08Å; F1871-V1979 HydrophobicContact CZ-CG1 4.33Å; L1875-V1979 HydrophobicContact CD1-CG1 3.59Å; L1878-V1979 HydrophobicContact CD1-CG2 4.38Å; L1975-V1979 HydrophobicContact CD1-CG2 4.02Å; L1975-V1979 HydrophobicContact CG-CG2 4.41Å; L1975-V1979 VanDerWaalsContact O-CG2 3.31Å; L1975-V1979 WeakPolarHBondContact O-CG2 3.22Å; L1975-V1979 PolarHBondContact O-N 3.12Å; L1976-V1979 PolarHBondContact O-N 3.13Å; V1979-H1981 VanDerWaalsContact C-N 3.32Å; V1979-H1981 PolarHBondContact O-N 3.22Å; V1979-L1982 WeakPolarHBondContact O-CB 3.36Å; V1979-L1982 PolarHBondContact O-N 3.18Å; V1979-L1983 WeakPolarHBondContact O-CB 3.3Å; V1979-L1983 PolarHBondContact O-N 3.29Å |
| 1980 | I | 92.3 | Very high | 87.5 | Confident | 1.75 Ų | 1.75 | 21.2 Ų | 21.2 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.4 | -68 | 170.3 | 0 | 0 | 0 | 111 | L1976 T1978 L1983 I1984 L2007 N2058 C2059 I2062 | L1976-I1980 HydrophobicContact CD1-CD1 3.8Å; L1976-I1980 HydrophobicContact CD1-CG1 4.01Å; L1976-I1980 HydrophobicContact CD2-CD1 4.34Å; L1976-I1980 HydrophobicContact CG-CD1 3.71Å; L1976-I1980 HydrophobicContact CG-CG1 4.33Å; L1976-I1980 WeakPolarHBondContact O-CB 3.39Å; L1976-I1980 VanDerWaalsContact O-CG1 3.26Å; L1976-I1980 WeakPolarHBondContact O-CG1 3.36Å; L1976-I1980 PolarHBondContact O-N 3.16Å; T1978-I1980 VanDerWaalsContact C-N 3.33Å; T1978-I1980 PolarHBondContact O-N 3.08Å; I1980-L1983 WeakPolarHBondContact O-CB 3.29Å; I1980-L1983 PolarHBondContact O-N 3.08Å; I1980-L1983 VanDerWaalsContact O-N 3.16Å; I1980-I1984 HydrophobicContact CG2-CD1 4.09Å; I1980-I1984 WeakPolarHBondContact O-CD1 3.37Å; I1980-I1984 WeakPolarHBondContact O-CG1 3.32Å; I1980-I1984 PolarHBondContact O-N 3.19Å; I1980-L2007 HydrophobicContact CD1-CD2 3.86Å; I1980-L2007 HydrophobicContact CG1-CD2 4.48Å; I1980-N2058 HydrophobicContact CB-CB 4.37Å; I1980-N2058 HydrophobicContact CG2-CB 4.03Å; I1980-N2058 VanDerWaalsContact CG2-O 3.28Å; I1980-N2058 WeakPolarHBondContact CG2-O 3.22Å; I1980-C2059 HydrophobicContact CD1-CB 4.36Å; I1980-C2059 WeakPolarHBondContact CD1-SG 3.43Å; I1980-I2062 HydrophobicContact CG2-CB 3.85Å; I1980-I2062 HydrophobicContact CG2-CD1 4.41Å; I1980-I2062 HydrophobicContact CG2-CG2 3.63Å |
| 1981 | H | 91.3 | Very high | 87.9 | Confident | 72.75 Ų | 72.75 | 20.6 Ų | 20.6 | 34% | 0.337 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.2 | -167.5 | 75.2 | 0 | 0 | 0 | 112.3 | I1711 S1977 T1978 V1979 L1983 I1984 N1985 | I1711-H1981 HydrophobicContact CD1-CB 4.13Å; I1711-H1981 VanDerWaalsContact CG2-CD2 3.47Å; I1711-H1981 WeakPolarHBondContact CG2-CD2 3.33Å; S1977-H1981 PolarHBondContact O-N 3.32Å; S1977-H1981 VanDerWaalsContact O-N 3.11Å; T1978-H1981 WeakPolarHBondContact O-CB 3.33Å; T1978-H1981 PolarHBondContact O-N 3.28Å; T1978-H1981 VanDerWaalsContact O-N 3.16Å; V1979-H1981 VanDerWaalsContact C-N 3.32Å; V1979-H1981 PolarHBondContact O-N 3.22Å; H1981-L1983 VanDerWaalsContact C-N 3.31Å; H1981-L1983 PolarHBondContact O-N 2.91Å; H1981-I1984 WeakPolarHBondContact O-CB 3.34Å; H1981-I1984 PolarHBondContact O-N 3.02Å; H1981-N1985 PolarHBondContact O-N 3.33Å |
| 1982 | L | 92.6 | Very high | 87.8 | Confident | 1.75 Ų | 1.75 | 26.3 Ų | 26.3 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 170.3 | 175.3 | 61.7 | 0 | 0 | 0 | 111.3 | L1693 T1707 L1710 I1711 T1714 F1871 T1978 V1979 I1984 N1985 L1986 | L1693-L1982 HydrophobicContact CD2-CD2 4.15Å; T1707-L1982 HydrophobicContact CG2-CB 3.89Å; T1707-L1982 HydrophobicContact CG2-CD2 4.11Å; L1710-L1982 HydrophobicContact CB-CD1 3.63Å; L1710-L1982 HydrophobicContact CB-CD2 3.87Å; L1710-L1982 HydrophobicContact CB-CG 4.39Å; L1710-L1982 HydrophobicContact CD1-CD2 3.76Å; L1710-L1982 HydrophobicContact CG-CD2 4.46Å; I1711-L1982 HydrophobicContact CG1-CB 3.89Å; I1711-L1982 HydrophobicContact CG1-CD1 4.38Å; T1714-L1982 HydrophobicContact CG2-CD1 4.06Å; F1871-L1982 HydrophobicContact CE2-CD2 4.48Å; F1871-L1982 HydrophobicContact CZ-CD2 4.42Å; T1978-L1982 PolarHBondContact O-N 3.18Å; V1979-L1982 WeakPolarHBondContact O-CB 3.36Å; V1979-L1982 PolarHBondContact O-N 3.18Å; L1982-I1984 VanDerWaalsContact C-N 3.27Å; L1982-I1984 PolarHBondContact O-N 3.2Å; L1982-N1985 WeakPolarHBondContact O-CB 3.37Å; L1982-N1985 PolarHBondContact O-N 3.14Å; L1982-N1985 VanDerWaalsContact O-N 3.1Å; L1982-L1986 HydrophobicContact CD1-CG 4.33Å; L1982-L1986 HydrophobicContact CG-CD1 4.16Å; L1982-L1986 HydrophobicContact CG-CG 4.36Å; L1982-L1986 WeakPolarHBondContact O-CG 3.32Å; L1982-L1986 PolarHBondContact O-N 2.93Å |
| 1983 | L | 92 | Very high | 87.8 | Confident | 1.25 Ų | 1.25 | 26 Ų | 26 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.7 | -33.5 | -179.9 | -175.1 | 62.5 | 0 | 0 | 0 | 112.6 | F1871 F1872 L1875 V1979 I1980 H1981 L1986 M1987 V1994 L1998 I2062 | F1871-L1983 HydrophobicContact CE1-CD1 4.49Å; F1872-L1983 HydrophobicContact CE1-CD1 3.92Å; L1875-L1983 HydrophobicContact CD2-CD1 4.45Å; L1875-L1983 HydrophobicContact CD2-CD2 3.71Å; V1979-L1983 WeakPolarHBondContact O-CB 3.3Å; V1979-L1983 PolarHBondContact O-N 3.29Å; I1980-L1983 WeakPolarHBondContact O-CB 3.29Å; I1980-L1983 PolarHBondContact O-N 3.08Å; I1980-L1983 VanDerWaalsContact O-N 3.16Å; H1981-L1983 VanDerWaalsContact C-N 3.31Å; H1981-L1983 PolarHBondContact O-N 2.91Å; L1983-L1986 PolarHBondContact O-N 2.92Å; L1983-M1987 WeakPolarHBondContact O-CB 3.3Å; L1983-M1987 WeakPolarHBondContact O-CG 3.23Å; L1983-M1987 PolarHBondContact O-N 2.95Å; L1983-V1994 HydrophobicContact CD1-CG1 3.59Å; L1983-V1994 HydrophobicContact CG-CG1 4.44Å; L1983-L1998 HydrophobicContact CD1-CD1 4.41Å; L1983-L1998 HydrophobicContact CD1-CD2 4.47Å; L1983-L1998 HydrophobicContact CD2-CD1 4.07Å; L1983-L1998 HydrophobicContact CD2-CD2 3.85Å; L1983-L1998 HydrophobicContact CG-CD1 4.44Å; L1983-I2062 HydrophobicContact CB-CD1 4Å; L1983-I2062 HydrophobicContact CD2-CD1 3.1Å; L1983-I2062 HydrophobicContact CG-CD1 3.39Å; L1983-I2062 VanDerWaalsContact CG-CD1 3.41Å |
| 1984 | I | 89.8 | Confident | 87.9 | Confident | 18.75 Ų | 18.75 | 25.9 Ų | 25.9 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 172.8 | -68.5 | 154.2 | 0 | 0 | 0 | 110.8 | I1980 H1981 L1982 L1986 M1987 H1988 H2061 I2062 | I1980-I1984 HydrophobicContact CG2-CD1 4.09Å; I1980-I1984 WeakPolarHBondContact O-CD1 3.37Å; I1980-I1984 WeakPolarHBondContact O-CG1 3.32Å; I1980-I1984 PolarHBondContact O-N 3.19Å; H1981-I1984 WeakPolarHBondContact O-CB 3.34Å; H1981-I1984 PolarHBondContact O-N 3.02Å; L1982-I1984 VanDerWaalsContact C-N 3.27Å; L1982-I1984 PolarHBondContact O-N 3.2Å; I1984-L1986 VanDerWaalsContact C-N 3.34Å; I1984-M1987 WeakPolarHBondContact O-CB 3.12Å; I1984-M1987 PolarHBondContact O-N 3.34Å; I1984-H1988 PolarHBondContact O-N 3.1Å; I1984-H1988 VanDerWaalsContact O-N 3.1Å; I1984-H2061 HydrophobicContact CD1-CB 4.29Å; I1984-H2061 WeakPolarHBondContact CD1-CD2 3.36Å; I1984-I2062 HydrophobicContact CD1-CB 4.24Å; I1984-I2062 HydrophobicContact CG1-CB 3.89Å; I1984-I2062 HydrophobicContact CG1-CD1 4.48Å; I1984-I2062 HydrophobicContact CG1-CG1 4.19Å |
| 1985 | N | 89.3 | Confident | 87.9 | Confident | 31.25 Ų | 31.25 | 25.4 Ų | 25.4 | 17% | 0.167 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.5 | -70.2 | 0.7 | 0 | 0 | 0 | 111.4 | I1711 T1714 H1981 L1982 M1987 H1988 H1989 | I1711-N1985 PolarHBondContact O-ND2 3.08Å; T1714-N1985 VanDerWaalsContact OG1-CB 3.3Å; T1714-N1985 WeakPolarHBondContact OG1-CB 3.36Å; T1714-N1985 PolarHBondContact OG1-ND2 3.38Å; H1981-N1985 PolarHBondContact O-N 3.33Å; L1982-N1985 WeakPolarHBondContact O-CB 3.37Å; L1982-N1985 PolarHBondContact O-N 3.14Å; L1982-N1985 VanDerWaalsContact O-N 3.1Å; N1985-M1987 VanDerWaalsContact C-N 3.32Å; N1985-M1987 PolarHBondContact O-N 3.15Å; N1985-H1988 WeakPolarHBondContact O-CB 3.38Å; N1985-H1988 PolarHBondContact O-N 3.05Å; N1985-H1988 VanDerWaalsContact O-N 3.16Å; N1985-H1989 PolarHBondContact O-CD2 3.17Å; N1985-H1989 PolarHBondContact O-N 3.1Å |
| 1986 | L | 89.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.3 | -67.2 | 177.4 | 0 | 0 | 0 | 111.8 | T1714 L1862 L1866 F1871 L1982 L1983 I1984 H1988 H1989 L1990 V1994 | T1714-L1986 HydrophobicContact CG2-CD2 4.06Å; L1862-L1986 HydrophobicContact CD1-CD2 4.26Å; L1862-L1986 HydrophobicContact CD2-CD2 3.88Å; L1862-L1986 HydrophobicContact CG-CD2 4.3Å; L1866-L1986 HydrophobicContact CD1-CD1 4.14Å; L1866-L1986 HydrophobicContact CD1-CD2 4.21Å; L1866-L1986 HydrophobicContact CD2-CD1 3.92Å; F1871-L1986 HydrophobicContact CE1-CD1 4.11Å; F1871-L1986 HydrophobicContact CZ-CD1 4.37Å; L1982-L1986 HydrophobicContact CD1-CG 4.33Å; L1982-L1986 HydrophobicContact CG-CD1 4.16Å; L1982-L1986 HydrophobicContact CG-CG 4.36Å; L1982-L1986 WeakPolarHBondContact O-CG 3.32Å; L1982-L1986 PolarHBondContact O-N 2.93Å; L1983-L1986 PolarHBondContact O-N 2.92Å; I1984-L1986 VanDerWaalsContact C-N 3.34Å; L1986-H1988 VanDerWaalsContact C-N 3.28Å; L1986-H1988 PolarHBondContact O-N 3.09Å; L1986-H1989 PolarHBondContact O-N 3.12Å; L1986-L1990 WeakPolarHBondContact O-CA 3.39Å; L1986-L1990 PolarHBondContact O-N 3.12Å; L1986-V1994 HydrophobicContact CB-CG2 4.2Å |
| 1987 | M | 87.2 | Confident | 87.6 | Confident | 1.5 Ų | 1.5 | 30.3 Ų | 30.3 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -30.5 | 175.4 | -125.7 | 178.2 | 52.7 | 0 | 0 | 112.7 | L1983 I1984 N1985 H1989 P1991 V1994 L1995 L1998 I2062 C2065 Q2066 M2069 | L1983-M1987 WeakPolarHBondContact O-CB 3.3Å; L1983-M1987 WeakPolarHBondContact O-CG 3.23Å; L1983-M1987 PolarHBondContact O-N 2.95Å; I1984-M1987 WeakPolarHBondContact O-CB 3.12Å; I1984-M1987 PolarHBondContact O-N 3.34Å; N1985-M1987 VanDerWaalsContact C-N 3.32Å; N1985-M1987 PolarHBondContact O-N 3.15Å; M1987-H1989 VanDerWaalsContact C-N 3.34Å; M1987-P1991 VanDerWaalsContact O-CA 3.25Å; M1987-P1991 WeakPolarHBondContact O-CA 3.26Å; M1987-P1991 WeakPolarHBondContact O-CB 3.4Å; M1987-V1994 HydrophobicContact CB-CB 4.38Å; M1987-V1994 HydrophobicContact CB-CG1 3.99Å; M1987-V1994 HydrophobicContact CG-CB 3.96Å; M1987-V1994 HydrophobicContact CG-CG1 3.85Å; M1987-V1994 HydrophobicContact SD-CG1 4.43Å; M1987-L1995 HydrophobicContact CE-CD2 3.96Å; M1987-L1995 HydrophobicContact CE-CG 4.45Å; M1987-L1995 HydrophobicContact SD-CD2 3.98Å; M1987-L1995 HydrophobicContact SD-CG 4.39Å; M1987-L1998 HydrophobicContact SD-CD1 4.46Å; M1987-I2062 HydrophobicContact CE-CG1 4.19Å; M1987-I2062 HydrophobicContact SD-CD1 3.96Å; M1987-I2062 HydrophobicContact SD-CG1 3.68Å; M1987-C2065 HydrophobicContact CE-CB 3.48Å; M1987-Q2066 HydrophobicContact CE-CB 4.33Å; M1987-Q2066 HydrophobicContact CE-CG 4.1Å; M1987-Q2066 HydrophobicContact SD-CG 3.79Å; M1987-M2069 HydrophobicContact CE-SD 4.08Å; M1987-M2069 HydrophobicContact CG-CE 4.42Å; M1987-M2069 HydrophobicContact CG-SD 3.79Å; M1987-M2069 HydrophobicContact SD-SD 4.14Å |
| 1988 | H | 84.8 | Confident | 87.4 | Confident | 143 Ų | 143 | 29.9 Ų | 29.9 | 66% | 0.662 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -66.3 | -39.7 | 174.1 | -175.3 | 67.5 | 0 | 0 | 0 | 111.8 | I1984 N1985 L1986 | I1984-H1988 PolarHBondContact O-N 3.1Å; I1984-H1988 VanDerWaalsContact O-N 3.1Å; N1985-H1988 WeakPolarHBondContact O-CB 3.38Å; N1985-H1988 PolarHBondContact O-N 3.05Å; N1985-H1988 VanDerWaalsContact O-N 3.16Å; L1986-H1988 VanDerWaalsContact C-N 3.28Å; L1986-H1988 PolarHBondContact O-N 3.09Å |
| 1989 | H | 82.2 | Confident | 87.2 | Confident | 32.25 Ų | 32.25 | 34.2 Ų | 34.2 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -84.6 | -34 | -178.3 | -67.6 | -61.8 | 0 | 0 | 0 | 114 | T1714 L1859 N1985 L1986 M1987 | T1714-H1989 PolarHBondContact O-NE2 3.04Å; L1859-H1989 HydrophobicContact CD1-CB 3.7Å; L1859-H1989 HydrophobicContact CD2-CB 4.14Å; L1859-H1989 WeakPolarHBondContact CD2-O 3.49Å; N1985-H1989 PolarHBondContact O-CD2 3.17Å; N1985-H1989 PolarHBondContact O-N 3.1Å; L1986-H1989 PolarHBondContact O-N 3.12Å; M1987-H1989 VanDerWaalsContact C-N 3.34Å |
| 1990 | L | 83.9 | Confident | 87 | Confident | 1.25 Ų | 1.25 | 39.9 Ų | 39.9 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -132.1 | 62.2 | -174.2 | -62.6 | 172.7 | 0 | 0 | 0 | 111.3 | W1810 L1859 L1862 H1863 L1866 L1986 F1993 V1994 | W1810-L1990 HydrophobicContact CZ2-CD2 4.13Å; L1859-L1990 HydrophobicContact CD1-CD2 3.98Å; L1859-L1990 HydrophobicContact CD1-CG 4.06Å; L1859-L1990 HydrophobicContact CD2-CD2 4.24Å; L1859-L1990 HydrophobicContact CD2-CG 4.38Å; L1859-L1990 HydrophobicContact CG-CD2 3.79Å; L1859-L1990 HydrophobicContact CG-CG 4.42Å; L1862-L1990 HydrophobicContact CD2-CD1 4.38Å; L1862-L1990 HydrophobicContact CG-CD1 4.34Å; H1863-L1990 HydrophobicContact CB-CD1 4.2Å; L1866-L1990 HydrophobicContact CD1-CD1 4.11Å; L1986-L1990 WeakPolarHBondContact O-CA 3.39Å; L1986-L1990 PolarHBondContact O-N 3.12Å; L1990-F1993 HydrophobicContact CB-CB 4.43Å; L1990-F1993 HydrophobicContact CB-CD1 4.34Å; L1990-F1993 HydrophobicContact CD1-CD1 4.23Å; L1990-V1994 HydrophobicContact CB-CG2 4.03Å; L1990-V1994 WeakPolarHBondContact O-CB 3.31Å; L1990-V1994 WeakPolarHBondContact O-CG2 3.39Å; L1990-V1994 PolarHBondContact O-N 3.16Å |
| 1991 | P | 82 | Confident | 86.7 | Confident | 36.5 Ų | 36.5 | 41.9 Ų | 41.9 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -51.8 | -167.1 | 21.2 | -30.3 | 0 | 0 | 0 | 113.9 | E1813 M1987 L1995 M2069 | E1813-P1991 VanDerWaalsContact OE1-CD 3.27Å; E1813-P1991 WeakPolarHBondContact OE1-CD 3.02Å; E1813-P1991 VanDerWaalsContact OE1-CG 3.27Å; E1813-P1991 WeakPolarHBondContact OE1-CG 3.4Å; M1987-P1991 VanDerWaalsContact O-CA 3.25Å; M1987-P1991 WeakPolarHBondContact O-CA 3.26Å; M1987-P1991 WeakPolarHBondContact O-CB 3.4Å; P1991-L1995 VanDerWaalsContact O-CB 3.28Å; P1991-L1995 WeakPolarHBondContact O-CB 3.4Å; P1991-L1995 VanDerWaalsContact O-CD1 3.29Å; P1991-L1995 WeakPolarHBondContact O-CD1 3.32Å; P1991-L1995 WeakPolarHBondContact O-CG 3.32Å; P1991-L1995 PolarHBondContact O-N 3.07Å; P1991-L1995 VanDerWaalsContact O-N 3.1Å; P1991-M2069 HydrophobicContact CB-CE 4.49Å; P1991-M2069 HydrophobicContact CB-SD 4.08Å |
| 1992 | K | 80.2 | Confident | 86.5 | Confident | 120.5 Ų | 120.5 | 47.8 Ų | 47.8 | 52% | 0.524 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | -177.4 | -65.9 | 176.8 | -166.2 | 167.8 | 0 | 112.1 | E1813 L1995 S1996 | E1813-K1992 HydrophobicContact CB-CD 4.17Å; E1813-K1992 VanDerWaalsContact CD-CB 3.41Å; E1813-K1992 VanDerWaalsContact CD-CD 3.45Å; E1813-K1992 HydrophobicContact CG-CB 4.28Å; E1813-K1992 HydrophobicContact CG-CD 3.71Å; E1813-K1992 HydrophobicContact CG-CG 4.26Å; E1813-K1992 WeakPolarHBondContact OE1-CA 3.26Å; E1813-K1992 VanDerWaalsContact OE1-CB 3.24Å; E1813-K1992 WeakPolarHBondContact OE1-CB 3.4Å; E1813-K1992 VanDerWaalsContact OE1-CD 3.31Å; E1813-K1992 WeakPolarHBondContact OE1-CD 3.36Å; E1813-K1992 VanDerWaalsContact OE1-CE 3.27Å; E1813-K1992 WeakPolarHBondContact OE1-CE 3.28Å; E1813-K1992 WeakPolarHBondContact OE1-CG 3.36Å; E1813-K1992 PolarHBondContact OE1-N 3.05Å; E1813-K1992 VanDerWaalsContact OE1-N 3.15Å; E1813-K1992 IonicContact OE1-NZ 2.85Å; E1813-K1992 WeakPolarHBondContact OE2-CB 3.11Å; E1813-K1992 WeakPolarHBondContact OE2-CD 3.02Å; K1992-L1995 PolarHBondContact O-N 3.1Å; K1992-S1996 PolarHBondContact O-N 3.08Å; K1992-S1996 PolarHBondContact O-OG 3.33Å; K1992-S1996 VanDerWaalsContact O-OG 3.1Å |
| 1993 | F | 83.3 | Confident | 86.3 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -52 | 179.1 | 169.8 | -113.1 | 0 | 0 | 0 | 112 | H1863 L1866 V1867 F1872 L1990 L1995 S1996 E1997 | H1863-F1993 AromaticContact CD2-CD1 3.56Å; H1863-F1993 AromaticContact CD2-CD2 3.6Å; H1863-F1993 AromaticContact CD2-CE1 3.74Å; H1863-F1993 AromaticContact CD2-CE2 3.8Å; H1863-F1993 AromaticContact CD2-CG 3.47Å; H1863-F1993 VanDerWaalsContact CD2-CG 3.47Å; H1863-F1993 WeakPolarHBondContact CD2-CG 3.27Å; H1863-F1993 AromaticContact CD2-CZ 3.87Å; H1863-F1993 AromaticContact NE2-CD2 3.23Å; H1863-F1993 VanDerWaalsContact NE2-CD2 3.28Å; H1863-F1993 WeakPolarHBondContact NE2-CD2 3.39Å; H1863-F1993 AromaticContact NE2-CE2 3.34Å; H1863-F1993 VanDerWaalsContact NE2-CE2 3.29Å; H1863-F1993 WeakPolarHBondContact NE2-CE2 3.44Å; H1863-F1993 AromaticContact NE2-CG 3.63Å; H1863-F1993 AromaticContact NE2-CZ 3.82Å; L1866-F1993 HydrophobicContact CB-CE1 4.21Å; L1866-F1993 HydrophobicContact CB-CZ 4.48Å; L1866-F1993 HydrophobicContact CD1-CE1 4.05Å; V1867-F1993 HydrophobicContact CG2-CE2 3.96Å; V1867-F1993 HydrophobicContact CG2-CZ 3.65Å; F1872-F1993 HydrophobicContact CD2-CZ 4.48Å; F1872-F1993 HydrophobicContact CE2-CD1 4.48Å; F1872-F1993 AromaticContact CE2-CE1 3.63Å; F1872-F1993 HydrophobicContact CE2-CE1 3.63Å; F1872-F1993 AromaticContact CE2-CZ 3.77Å; F1872-F1993 HydrophobicContact CE2-CZ 3.77Å; F1872-F1993 HydrophobicContact CZ-CE1 4.15Å; L1990-F1993 HydrophobicContact CB-CB 4.43Å; L1990-F1993 HydrophobicContact CB-CD1 4.34Å; L1990-F1993 HydrophobicContact CD1-CD1 4.23Å; F1993-L1995 VanDerWaalsContact C-N 3.29Å; F1993-L1995 PolarHBondContact O-N 3.09Å; F1993-S1996 WeakPolarHBondContact CA-OG 3.35Å; F1993-S1996 PolarHBondContact O-N 3.13Å; F1993-S1996 PolarHBondContact O-OG 3.24Å; F1993-E1997 HydrophobicContact CD2-CG 3.94Å; F1993-E1997 HydrophobicContact CE1-CG 4.42Å; F1993-E1997 HydrophobicContact CE2-CG 3.48Å; F1993-E1997 VanDerWaalsContact CE2-CG 3.47Å; F1993-E1997 HydrophobicContact CZ-CG 3.76Å; F1993-E1997 WeakPolarHBondContact O-CB 3.42Å; F1993-E1997 WeakPolarHBondContact O-CG 3.28Å; F1993-E1997 PolarHBondContact O-N 3.22Å |
| 1994 | V | 87.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | F1872 L1983 L1986 M1987 L1990 E1997 L1998 | F1872-V1994 HydrophobicContact CE1-CG1 4.13Å; F1872-V1994 HydrophobicContact CZ-CB 4.42Å; F1872-V1994 HydrophobicContact CZ-CG1 4.29Å; F1872-V1994 HydrophobicContact CZ-CG2 4.13Å; L1983-V1994 HydrophobicContact CD1-CG1 3.59Å; L1983-V1994 HydrophobicContact CG-CG1 4.44Å; L1986-V1994 HydrophobicContact CB-CG2 4.2Å; M1987-V1994 HydrophobicContact CB-CB 4.38Å; M1987-V1994 HydrophobicContact CB-CG1 3.99Å; M1987-V1994 HydrophobicContact CG-CB 3.96Å; M1987-V1994 HydrophobicContact CG-CG1 3.85Å; M1987-V1994 HydrophobicContact SD-CG1 4.43Å; L1990-V1994 HydrophobicContact CB-CG2 4.03Å; L1990-V1994 WeakPolarHBondContact O-CB 3.31Å; L1990-V1994 WeakPolarHBondContact O-CG2 3.39Å; L1990-V1994 PolarHBondContact O-N 3.16Å; V1994-E1997 PolarHBondContact O-N 3.17Å; V1994-L1998 HydrophobicContact CG1-CD1 3.74Å; V1994-L1998 HydrophobicContact CG1-CG 4.21Å; V1994-L1998 WeakPolarHBondContact O-CB 3.35Å; V1994-L1998 WeakPolarHBondContact O-CG 3.43Å; V1994-L1998 PolarHBondContact O-N 2.82Å |
| 1995 | L | 86.1 | Confident | 86 | Confident | 20 Ų | 20 | 51 Ų | 51 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 176.2 | -73.3 | 169.1 | 0 | 0 | 0 | 112.9 | M1987 P1991 K1992 F1993 K1999 Q2066 M2069 N2070 | M1987-L1995 HydrophobicContact CE-CD2 3.96Å; M1987-L1995 HydrophobicContact CE-CG 4.45Å; M1987-L1995 HydrophobicContact SD-CD2 3.98Å; M1987-L1995 HydrophobicContact SD-CG 4.39Å; P1991-L1995 VanDerWaalsContact O-CB 3.28Å; P1991-L1995 WeakPolarHBondContact O-CB 3.4Å; P1991-L1995 VanDerWaalsContact O-CD1 3.29Å; P1991-L1995 WeakPolarHBondContact O-CD1 3.32Å; P1991-L1995 WeakPolarHBondContact O-CG 3.32Å; P1991-L1995 PolarHBondContact O-N 3.07Å; P1991-L1995 VanDerWaalsContact O-N 3.1Å; K1992-L1995 PolarHBondContact O-N 3.1Å; F1993-L1995 VanDerWaalsContact C-N 3.29Å; F1993-L1995 PolarHBondContact O-N 3.09Å; L1995-K1999 WeakPolarHBondContact O-CB 3.37Å; L1995-K1999 PolarHBondContact O-N 2.97Å; L1995-K1999 VanDerWaalsContact O-N 3.15Å; L1995-Q2066 HydrophobicContact CD2-CB 3.99Å; L1995-Q2066 HydrophobicContact CD2-CG 3.69Å; L1995-M2069 HydrophobicContact CD1-CB 4.08Å; L1995-M2069 HydrophobicContact CD1-SD 4.48Å; L1995-N2070 HydrophobicContact CD1-CB 4.16Å |
| 1996 | S | 85.2 | Confident | 85.9 | Confident | 60.75 Ų | 60.75 | 51.6 Ų | 51.6 | 43% | 0.425 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.2 | 51.9 | 0 | 0 | 0 | 0 | 112 | K1992 F1993 K1999 L2000 | K1992-S1996 PolarHBondContact O-N 3.08Å; K1992-S1996 PolarHBondContact O-OG 3.33Å; K1992-S1996 VanDerWaalsContact O-OG 3.1Å; F1993-S1996 WeakPolarHBondContact CA-OG 3.35Å; F1993-S1996 PolarHBondContact O-N 3.13Å; F1993-S1996 PolarHBondContact O-OG 3.24Å; S1996-K1999 WeakPolarHBondContact O-CB 3.44Å; S1996-K1999 PolarHBondContact O-N 3.1Å; S1996-L2000 WeakPolarHBondContact O-CB 3.43Å; S1996-L2000 PolarHBondContact O-N 3.12Å |
| 1997 | E | 86.4 | Confident | 85.9 | Confident | 42.5 Ų | 42.5 | 51.6 Ų | 51.6 | 20% | 0.199 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.8 | -42.5 | 179.4 | -71.4 | -58.4 | 146.4 | 0 | 0 | 112.2 | F1872 F1993 V1994 K1999 L2000 H2001 | F1872-E1997 HydrophobicContact CB-CB 4.32Å; F1872-E1997 HydrophobicContact CD1-CB 3.79Å; F1872-E1997 HydrophobicContact CD2-CB 3.59Å; F1872-E1997 HydrophobicContact CD2-CG 3.69Å; F1872-E1997 HydrophobicContact CE1-CB 3.92Å; F1872-E1997 HydrophobicContact CE2-CB 3.73Å; F1872-E1997 HydrophobicContact CE2-CG 3.71Å; F1872-E1997 HydrophobicContact CG-CB 3.63Å; F1872-E1997 HydrophobicContact CG-CG 4.24Å; F1872-E1997 HydrophobicContact CZ-CB 3.89Å; F1872-E1997 HydrophobicContact CZ-CG 4.27Å; F1993-E1997 HydrophobicContact CD2-CG 3.94Å; F1993-E1997 HydrophobicContact CE1-CG 4.42Å; F1993-E1997 HydrophobicContact CE2-CG 3.48Å; F1993-E1997 VanDerWaalsContact CE2-CG 3.47Å; F1993-E1997 HydrophobicContact CZ-CG 3.76Å; F1993-E1997 WeakPolarHBondContact O-CB 3.42Å; F1993-E1997 WeakPolarHBondContact O-CG 3.28Å; F1993-E1997 PolarHBondContact O-N 3.22Å; V1994-E1997 PolarHBondContact O-N 3.17Å; E1997-K1999 PolarHBondContact O-N 3.03Å; E1997-L2000 PolarHBondContact O-N 3.27Å; E1997-H2001 PolarHBondContact O-CD2 3.22Å; E1997-H2001 VanDerWaalsContact O-CD2 3.27Å; E1997-H2001 PolarHBondContact O-N 3.03Å; E1997-H2001 IonicContact OE2-CD2 2.63Å; E1997-H2001 IonicContact OE2-NE2 3.07Å; E1997-H2001 PolarHBondContact OE2-NE2 3.15Å |
| 1998 | L | 87.9 | Confident | 85.9 | Confident | 0.5 Ų | 0.5 | 52.2 Ų | 52.2 | 0% | 0.003 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -33.1 | 175.7 | -68.2 | 174.3 | 0 | 0 | 0 | 112.2 | F1872 L1875 L1983 M1987 V1994 R2002 I2003 I2062 | F1872-L1998 HydrophobicContact CD1-CD2 4.13Å; F1872-L1998 HydrophobicContact CD1-CG 4.47Å; F1872-L1998 HydrophobicContact CE1-CD2 4.25Å; F1872-L1998 HydrophobicContact CE1-CG 4.35Å; L1875-L1998 HydrophobicContact CD2-CD2 3.99Å; L1983-L1998 HydrophobicContact CD1-CD1 4.41Å; L1983-L1998 HydrophobicContact CD1-CD2 4.47Å; L1983-L1998 HydrophobicContact CD2-CD1 4.07Å; L1983-L1998 HydrophobicContact CD2-CD2 3.85Å; L1983-L1998 HydrophobicContact CG-CD1 4.44Å; M1987-L1998 HydrophobicContact SD-CD1 4.46Å; V1994-L1998 HydrophobicContact CG1-CD1 3.74Å; V1994-L1998 HydrophobicContact CG1-CG 4.21Å; V1994-L1998 WeakPolarHBondContact O-CB 3.35Å; V1994-L1998 WeakPolarHBondContact O-CG 3.43Å; V1994-L1998 PolarHBondContact O-N 2.82Å; L1998-R2002 PolarHBondContact O-N 3.1Å; L1998-I2003 HydrophobicContact CD2-CB 3.94Å; L1998-I2003 HydrophobicContact CD2-CD1 3.63Å; L1998-I2003 HydrophobicContact CD2-CG1 4.37Å; L1998-I2003 HydrophobicContact CD2-CG2 3.91Å; L1998-I2003 PolarHBondContact O-N 3.2Å; L1998-I2062 HydrophobicContact CD1-CD1 4.42Å |
| 1999 | K | 86.2 | Confident | 86 | Confident | 111.5 Ų | 111.5 | 50.1 Ų | 50.1 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.4 | -47.9 | 173.7 | -173 | -179.6 | -175.8 | 177.4 | 0 | 111.4 | L1995 S1996 E1997 H2001 R2002 E2072 | L1995-K1999 WeakPolarHBondContact O-CB 3.37Å; L1995-K1999 PolarHBondContact O-N 2.97Å; L1995-K1999 VanDerWaalsContact O-N 3.15Å; S1996-K1999 WeakPolarHBondContact O-CB 3.44Å; S1996-K1999 PolarHBondContact O-N 3.1Å; E1997-K1999 PolarHBondContact O-N 3.03Å; K1999-H2001 VanDerWaalsContact C-N 3.31Å; K1999-H2001 PolarHBondContact O-N 3.24Å; K1999-R2002 PolarHBondContact O-N 3.24Å; K1999-R2002 VanDerWaalsContact O-N 3.08Å; K1999-E2072 WeakPolarHBondContact CE-OE1 3.34Å; K1999-E2072 IonicContact NZ-OE1 3.4Å; K1999-E2072 PolarHBondContact NZ-OE1 3.19Å; K1999-E2072 IonicContact NZ-OE2 3.37Å; K1999-E2072 PolarHBondContact NZ-OE2 3.22Å |
| 2000 | L | 86.6 | Confident | 86.2 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 63% | 0.634 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.7 | -44.8 | -179.3 | -173.8 | 146.4 | 0 | 0 | 0 | 111.1 | S1996 E1997 R2002 | S1996-L2000 WeakPolarHBondContact O-CB 3.43Å; S1996-L2000 PolarHBondContact O-N 3.12Å; E1997-L2000 PolarHBondContact O-N 3.27Å; L2000-R2002 VanDerWaalsContact C-N 3.3Å; L2000-R2002 PolarHBondContact O-N 3.37Å |
| 2001 | H | 86.6 | Confident | 86.4 | Confident | 43.6667 Ų | 43.6667 | 49.5 Ų | 49.5 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.6 | 179 | -69.7 | -70.5 | 0 | 0 | 0 | 114.7 | F1872 F1876 E1997 K1999 I2003 | F1872-H2001 VanDerWaalsContact CB-CD2 3.45Å; F1872-H2001 WeakPolarHBondContact CB-CD2 3.37Å; F1876-H2001 VanDerWaalsContact CD2-O 3.27Å; F1876-H2001 WeakPolarHBondContact CD2-O 3.3Å; F1876-H2001 WeakPolarHBondContact CE2-O 3.2Å; E1997-H2001 PolarHBondContact O-CD2 3.22Å; E1997-H2001 VanDerWaalsContact O-CD2 3.27Å; E1997-H2001 PolarHBondContact O-N 3.03Å; E1997-H2001 IonicContact OE2-CD2 2.63Å; E1997-H2001 IonicContact OE2-NE2 3.07Å; E1997-H2001 PolarHBondContact OE2-NE2 3.15Å; K1999-H2001 VanDerWaalsContact C-N 3.31Å; K1999-H2001 PolarHBondContact O-N 3.24Å; H2001-I2003 VanDerWaalsContact C-N 3.26Å; H2001-I2003 HydrophobicContact CB-CD1 3.73Å; H2001-I2003 HydrophobicContact CB-CG1 3.87Å; H2001-I2003 PolarHBondContact O-N 3.11Å |
| 2002 | R | 87.1 | Confident | 86.5 | Confident | 195 Ų | 195 | 49.8 Ų | 49.8 | 74% | 0.736 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43 | -178.4 | -58.8 | -175.7 | 176.7 | -175.1 | -0.3 | 113.3 | L1998 K1999 L2000 P2005 | L1998-R2002 PolarHBondContact O-N 3.1Å; K1999-R2002 PolarHBondContact O-N 3.24Å; K1999-R2002 VanDerWaalsContact O-N 3.08Å; L2000-R2002 VanDerWaalsContact C-N 3.3Å; L2000-R2002 PolarHBondContact O-N 3.37Å; R2002-P2005 WeakPolarHBondContact O-CD 3.4Å |
| 2003 | I | 88.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.8 | -32.2 | -177.5 | -69.3 | 164.9 | 0 | 0 | 0 | 111.4 | L1875 F1876 L1998 H2001 L2006 L2007 | L1875-I2003 HydrophobicContact CB-CD1 4.44Å; L1875-I2003 HydrophobicContact CD2-CD1 3.87Å; L1875-I2003 HydrophobicContact CG-CD1 4.14Å; F1876-I2003 HydrophobicContact CB-CD1 4.43Å; F1876-I2003 HydrophobicContact CB-CG1 4.35Å; F1876-I2003 HydrophobicContact CD2-CG1 4.37Å; L1998-I2003 HydrophobicContact CD2-CB 3.94Å; L1998-I2003 HydrophobicContact CD2-CD1 3.63Å; L1998-I2003 HydrophobicContact CD2-CG1 4.37Å; L1998-I2003 HydrophobicContact CD2-CG2 3.91Å; L1998-I2003 PolarHBondContact O-N 3.2Å; H2001-I2003 VanDerWaalsContact C-N 3.26Å; H2001-I2003 HydrophobicContact CB-CD1 3.73Å; H2001-I2003 HydrophobicContact CB-CG1 3.87Å; H2001-I2003 PolarHBondContact O-N 3.11Å; I2003-L2006 WeakPolarHBondContact O-CB 3.46Å; I2003-L2006 PolarHBondContact O-N 3.03Å; I2003-L2007 HydrophobicContact CG2-CD1 3.98Å; I2003-L2007 HydrophobicContact CG2-CG 4Å; I2003-L2007 PolarHBondContact O-N 3.07Å |
| 2004 | N | 88 | Confident | 86.6 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -48.6 | -176.6 | -60.6 | -4.8 | 0 | 0 | 0 | 113.3 | L2006 L2007 M2008 L2063 Q2066 | N2004-L2006 VanDerWaalsContact C-N 3.26Å; N2004-L2006 PolarHBondContact O-N 3.26Å; N2004-L2007 PolarHBondContact O-N 2.89Å; N2004-M2008 HydrophobicContact CB-CE 4.02Å; N2004-M2008 WeakPolarHBondContact O-CG 3.4Å; N2004-M2008 PolarHBondContact O-N 3.32Å; N2004-L2063 HydrophobicContact CB-CD2 4.32Å; N2004-Q2066 PolarHBondContact ND2-OE1 3.12Å; N2004-Q2066 PolarHBondContact OD1-NE2 3.34Å; N2004-Q2066 PolarHBondContact OD1-OE1 3.12Å; N2004-Q2066 VanDerWaalsContact OD1-OE1 3.11Å |
| 2005 | P | 87.5 | Confident | 86.2 | Confident | 64.3333 Ų | 64.3333 | 51.7 Ų | 51.7 | 42% | 0.418 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -35.6 | 173.9 | -24.9 | 34 | 0 | 0 | 0 | 113.8 | R2002 M2008 N2009 | R2002-P2005 WeakPolarHBondContact O-CD 3.4Å; P2005-M2008 HydrophobicContact CB-CE 4.43Å; P2005-M2008 HydrophobicContact CG-CE 4.44Å; P2005-M2008 PolarHBondContact O-N 3.27Å; P2005-N2009 WeakPolarHBondContact O-CB 3.3Å; P2005-N2009 VanDerWaalsContact O-CG 3.23Å; P2005-N2009 PolarHBondContact O-N 3.43Å; P2005-N2009 PolarHBondContact O-ND2 3.29Å; P2005-N2009 VanDerWaalsContact O-ND2 3.14Å |
| 2006 | L | 87.4 | Confident | 86 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 178 | -61.6 | 174.8 | 0 | 0 | 0 | 111.3 | F1876 V1879 I1880 I2003 N2004 M2008 N2009 I2010 | F1876-L2006 HydrophobicContact CD2-CD1 3.62Å; F1876-L2006 HydrophobicContact CE2-CD1 3.66Å; F1876-L2006 HydrophobicContact CG-CD1 4.46Å; V1879-L2006 HydrophobicContact CB-CD1 4.49Å; V1879-L2006 HydrophobicContact CG1-CB 3.51Å; V1879-L2006 VanDerWaalsContact CG1-CB 3.49Å; V1879-L2006 HydrophobicContact CG1-CD1 4.05Å; V1879-L2006 HydrophobicContact CG1-CG 4.39Å; I1880-L2006 HydrophobicContact CD1-CD1 4.46Å; I1880-L2006 HydrophobicContact CG1-CD1 4.11Å; I1880-L2006 HydrophobicContact CG1-CD2 4.42Å; I2003-L2006 WeakPolarHBondContact O-CB 3.46Å; I2003-L2006 PolarHBondContact O-N 3.03Å; N2004-L2006 VanDerWaalsContact C-N 3.26Å; N2004-L2006 PolarHBondContact O-N 3.26Å; L2006-M2008 VanDerWaalsContact C-N 3.32Å; L2006-M2008 PolarHBondContact O-N 3.31Å; L2006-N2009 PolarHBondContact O-N 3.09Å; L2006-N2009 VanDerWaalsContact O-N 3.12Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.37Å; L2006-I2010 PolarHBondContact O-N 3.1Å; L2006-I2010 VanDerWaalsContact O-N 3.1Å |
| 2007 | L | 89.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.6 | -66.1 | 177.4 | 0 | 0 | 0 | 112.1 | V1879 I1980 I2003 N2004 N2009 I2010 I2062 | V1879-L2007 HydrophobicContact CG2-CD2 4.36Å; I1980-L2007 HydrophobicContact CD1-CD2 3.86Å; I1980-L2007 HydrophobicContact CG1-CD2 4.48Å; I2003-L2007 HydrophobicContact CG2-CD1 3.98Å; I2003-L2007 HydrophobicContact CG2-CG 4Å; I2003-L2007 PolarHBondContact O-N 3.07Å; N2004-L2007 PolarHBondContact O-N 2.89Å; L2007-N2009 VanDerWaalsContact C-N 3.32Å; L2007-N2009 PolarHBondContact O-N 3.27Å; L2007-I2010 HydrophobicContact CD2-CD1 4.17Å; L2007-I2010 PolarHBondContact O-N 3.31Å; L2007-I2062 HydrophobicContact CD1-CG2 3.9Å |
| 2008 | M | 88.2 | Confident | 85 | Confident | 13.6667 Ų | 13.6667 | 52.1 Ų | 52.1 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 174.7 | -67.3 | -177.4 | -124.1 | 0 | 0 | 111.9 | N2004 P2005 L2006 I2011 L2063 L2077 F2083 | N2004-M2008 HydrophobicContact CB-CE 4.02Å; N2004-M2008 WeakPolarHBondContact O-CG 3.4Å; N2004-M2008 PolarHBondContact O-N 3.32Å; P2005-M2008 HydrophobicContact CB-CE 4.43Å; P2005-M2008 HydrophobicContact CG-CE 4.44Å; P2005-M2008 PolarHBondContact O-N 3.27Å; L2006-M2008 VanDerWaalsContact C-N 3.32Å; L2006-M2008 PolarHBondContact O-N 3.31Å; M2008-I2011 PolarHBondContact O-N 3.39Å; M2008-L2063 HydrophobicContact CE-CD2 4.21Å; M2008-L2063 HydrophobicContact CG-CD1 3.84Å; M2008-L2063 HydrophobicContact CG-CD2 4.41Å; M2008-L2077 HydrophobicContact CE-CD2 3.33Å; M2008-L2077 HydrophobicContact CE-CG 4.12Å; M2008-L2077 HydrophobicContact CG-CD2 4.42Å; M2008-L2077 HydrophobicContact SD-CD2 3.76Å; M2008-L2077 WeakPolarHBondContact SD-CD2 3.43Å; M2008-F2083 HydrophobicContact CB-CB 4.39Å; M2008-F2083 HydrophobicContact CB-CD2 3.63Å; M2008-F2083 HydrophobicContact CB-CE2 4.2Å; M2008-F2083 HydrophobicContact CB-CG 4.2Å; M2008-F2083 HydrophobicContact CG-CB 4.44Å; M2008-F2083 HydrophobicContact CG-CD1 4.49Å; M2008-F2083 HydrophobicContact CG-CD2 3.58Å; M2008-F2083 HydrophobicContact CG-CE2 3.83Å; M2008-F2083 HydrophobicContact CG-CG 3.97Å; M2008-F2083 HydrophobicContact CG-CZ 4.39Å; M2008-F2083 HydrophobicContact SD-CB 4.16Å; M2008-F2083 HydrophobicContact SD-CD1 4.3Å; M2008-F2083 HydrophobicContact SD-CD2 4.21Å; M2008-F2083 HydrophobicContact SD-CG 3.96Å |
| 2009 | N | 87 | Confident | 84.3 | Confident | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -74.2 | -26.3 | -178.6 | -75.3 | -26.3 | 0 | 0 | 0 | 114.1 | P2005 L2006 L2007 I2011 R2086 | P2005-N2009 WeakPolarHBondContact O-CB 3.3Å; P2005-N2009 VanDerWaalsContact O-CG 3.23Å; P2005-N2009 PolarHBondContact O-N 3.43Å; P2005-N2009 PolarHBondContact O-ND2 3.29Å; P2005-N2009 VanDerWaalsContact O-ND2 3.14Å; L2006-N2009 PolarHBondContact O-N 3.09Å; L2006-N2009 VanDerWaalsContact O-N 3.12Å; L2007-N2009 VanDerWaalsContact C-N 3.32Å; L2007-N2009 PolarHBondContact O-N 3.27Å; N2009-I2011 PolarHBondContact O-N 3.14Å; N2009-R2086 PolarHBondContact O-NH1 3.35Å; N2009-R2086 VanDerWaalsContact O-NH1 3.14Å |
| 2010 | I | 86.5 | Confident | 83.6 | Confident | 21.3333 Ų | 21.3333 | 48.1 Ų | 48.1 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -31.3 | 175.9 | -72.1 | 160.2 | 0 | 0 | 0 | 111.7 | V1879 L1976 L2006 L2007 D2012 Y2056 | V1879-I2010 HydrophobicContact CG1-CD1 3.68Å; L1976-I2010 HydrophobicContact CD2-CD1 3.61Å; L1976-I2010 HydrophobicContact CD2-CG2 4.47Å; L2006-I2010 WeakPolarHBondContact O-CG1 3.37Å; L2006-I2010 PolarHBondContact O-N 3.1Å; L2006-I2010 VanDerWaalsContact O-N 3.1Å; L2007-I2010 HydrophobicContact CD2-CD1 4.17Å; L2007-I2010 PolarHBondContact O-N 3.31Å; I2010-D2012 PolarHBondContact O-N 3.29Å; I2010-D2012 VanDerWaalsContact O-N 3.15Å; I2010-Y2056 HydrophobicContact CG2-CD1 4.24Å; I2010-Y2056 HydrophobicContact CG2-CE1 3.8Å; I2010-Y2056 WeakPolarHBondContact O-CE1 3.42Å; I2010-Y2056 PolarHBondContact O-OH 2.88Å |
| 2011 | I | 86.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -74.8 | 102.6 | -179.2 | -58.7 | 166.6 | 0 | 0 | 0 | 108.8 | M2008 N2009 Y2056 C2059 I2060 F2083 R2086 I2090 | M2008-I2011 PolarHBondContact O-N 3.39Å; N2009-I2011 PolarHBondContact O-N 3.14Å; I2011-Y2056 HydrophobicContact CG1-CD1 4.48Å; I2011-Y2056 HydrophobicContact CG1-CG 4.4Å; I2011-Y2056 HydrophobicContact CG2-CD2 4.32Å; I2011-Y2056 HydrophobicContact CG2-CE2 4.48Å; I2011-C2059 HydrophobicContact CD1-CB 4.4Å; I2011-I2060 HydrophobicContact CD1-CD1 4.08Å; I2011-I2060 HydrophobicContact CD1-CG1 3.53Å; I2011-F2083 HydrophobicContact CD1-CE2 3.9Å; I2011-R2086 WeakPolarHBondContact O-CD 3.42Å; I2011-R2086 PolarHBondContact O-NH1 3.29Å; I2011-R2086 VanDerWaalsContact O-NH1 3.07Å; I2011-I2090 HydrophobicContact CG2-CD1 3.7Å | ||
| 2012 | D | 85.3 | Confident | 81.8 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | trans | -118 | 111.6 | 176.2 | -171.8 | -10.4 | 0 | 0 | 0 | 110.8 | I2010 N2014 L2015 L2016 Y2056 | I2010-D2012 PolarHBondContact O-N 3.29Å; I2010-D2012 VanDerWaalsContact O-N 3.15Å; D2012-N2014 VanDerWaalsContact C-N 3.28Å; D2012-N2014 PolarHBondContact O-N 3.04Å; D2012-N2014 WeakPolarHBondContact OD1-CB 3.17Å; D2012-N2014 PolarHBondContact OD1-N 3.24Å; D2012-N2014 PolarHBondContact OD1-ND2 3.45Å; D2012-L2015 HydrophobicContact CB-CB 4.01Å; D2012-L2015 HydrophobicContact CB-CD1 3.91Å; D2012-L2015 HydrophobicContact CB-CG 4.03Å; D2012-L2015 PolarHBondContact O-N 3.13Å; D2012-L2016 PolarHBondContact O-N 3.15Å; D2012-L2016 VanDerWaalsContact O-N 3.13Å; D2012-Y2056 PolarHBondContact N-OH 3.26Å; D2012-Y2056 VanDerWaalsContact N-OH 3.14Å | ||
| 2013 | P | 82.8 | Confident | 80.4 | Confident | 9.33333 Ų | 9.33333 | 42 Ų | 42 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -29.7 | 177.6 | 26.2 | -33.5 | 0 | 0 | 0 | 112.6 | L2016 Q2017 R2086 I2089 I2090 | P2013-L2016 PolarHBondContact O-N 3.04Å; P2013-Q2017 WeakPolarHBondContact O-CB 3.36Å; P2013-Q2017 PolarHBondContact O-N 3.46Å; P2013-R2086 HydrophobicContact CG-CB 4.44Å; P2013-R2086 HydrophobicContact CG-CG 4.44Å; P2013-I2089 HydrophobicContact CB-CB 4.36Å; P2013-I2089 HydrophobicContact CB-CG2 3.79Å; P2013-I2089 HydrophobicContact CG-CB 4.45Å; P2013-I2089 HydrophobicContact CG-CG2 4.11Å; P2013-I2090 HydrophobicContact CB-CG1 4.03Å |
| 2014 | N | 82.2 | Confident | 78.6 | Confident | 108.667 Ų | 108.667 | 45.3 Ų | 45.3 | 58% | 0.581 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.6 | -42.4 | -178.9 | -60.6 | -43.2 | 0 | 0 | 0 | 110.9 | D2012 L2016 Q2017 S2018 | D2012-N2014 VanDerWaalsContact C-N 3.28Å; D2012-N2014 PolarHBondContact O-N 3.04Å; D2012-N2014 WeakPolarHBondContact OD1-CB 3.17Å; D2012-N2014 PolarHBondContact OD1-N 3.24Å; D2012-N2014 PolarHBondContact OD1-ND2 3.45Å; N2014-L2016 VanDerWaalsContact C-N 3.32Å; N2014-L2016 PolarHBondContact O-N 3.11Å; N2014-Q2017 PolarHBondContact O-N 3.3Å; N2014-S2018 WeakPolarHBondContact O-CB 3.34Å; N2014-S2018 PolarHBondContact O-N 3.16Å; N2014-S2018 PolarHBondContact O-OG 3.08Å |
| 2015 | L | 79.4 | Confident | 76.8 | Confident | 60.3333 Ų | 60.3333 | 49.5 Ų | 49.5 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174.7 | -99.9 | 163.9 | 0 | 0 | 0 | 110.7 | P1884 D2012 S2018 A2019 V2052 | P1884-L2015 HydrophobicContact CB-CD1 3.93Å; P1884-L2015 HydrophobicContact CB-CD2 3.97Å; P1884-L2015 HydrophobicContact CB-CG 4.31Å; P1884-L2015 HydrophobicContact CG-CD1 3.95Å; P1884-L2015 VanDerWaalsContact CG-CD1 3.48Å; D2012-L2015 HydrophobicContact CB-CB 4.01Å; D2012-L2015 HydrophobicContact CB-CD1 3.91Å; D2012-L2015 HydrophobicContact CB-CG 4.03Å; D2012-L2015 PolarHBondContact O-N 3.13Å; L2015-S2018 WeakPolarHBondContact CA-OG 3.42Å; L2015-S2018 PolarHBondContact O-N 3.17Å; L2015-S2018 PolarHBondContact O-OG 3.14Å; L2015-A2019 WeakPolarHBondContact O-CB 3.35Å; L2015-A2019 PolarHBondContact O-N 3.03Å; L2015-V2052 HydrophobicContact CD2-CG1 4.19Å |
| 2016 | L | 81.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 176.3 | -175.6 | 61.1 | 0 | 0 | 0 | 111.9 | D2012 P2013 N2014 S2018 A2019 I2020 I2053 Y2056 I2090 I2093 M2101 L2104 | D2012-L2016 PolarHBondContact O-N 3.15Å; D2012-L2016 VanDerWaalsContact O-N 3.13Å; P2013-L2016 PolarHBondContact O-N 3.04Å; N2014-L2016 VanDerWaalsContact C-N 3.32Å; N2014-L2016 PolarHBondContact O-N 3.11Å; L2016-S2018 VanDerWaalsContact C-N 3.32Å; L2016-S2018 PolarHBondContact O-N 3.27Å; L2016-A2019 PolarHBondContact O-N 3.23Å; L2016-I2020 HydrophobicContact CD1-CD1 4.28Å; L2016-I2020 HydrophobicContact CG-CD1 4.09Å; L2016-I2020 WeakPolarHBondContact O-CD1 3.32Å; L2016-I2020 VanDerWaalsContact O-CG1 3.28Å; L2016-I2020 WeakPolarHBondContact O-CG1 3.43Å; L2016-I2020 PolarHBondContact O-N 3.21Å; L2016-I2053 HydrophobicContact CD1-CD1 4.3Å; L2016-I2053 HydrophobicContact CD1-CG1 3.65Å; L2016-Y2056 HydrophobicContact CB-CE2 4.22Å; L2016-Y2056 HydrophobicContact CD2-CD2 4.45Å; L2016-I2090 HydrophobicContact CD2-CD1 4.45Å; L2016-I2090 HydrophobicContact CD2-CG1 4.32Å; L2016-I2090 HydrophobicContact CD2-CG2 4.1Å; L2016-I2093 HydrophobicContact CD2-CD1 3.54Å; L2016-I2093 VanDerWaalsContact CD2-CD1 3.48Å; L2016-I2093 HydrophobicContact CG-CD1 3.91Å; L2016-M2101 HydrophobicContact CD1-CE 4.09Å; L2016-M2101 HydrophobicContact CD1-SD 4.46Å; L2016-M2101 HydrophobicContact CD2-CE 3.94Å; L2016-M2101 HydrophobicContact CD2-SD 4.21Å; L2016-M2101 HydrophobicContact CG-CE 4.45Å; L2016-L2104 HydrophobicContact CD2-CD2 3.8Å |
| 2017 | Q | 78.4 | Confident | 72.3 | Confident | 88.3333 Ų | 88.3333 | 47.6 Ų | 47.6 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 177.2 | -170.4 | 173.5 | 11.5 | 0 | 0 | 111.6 | P2013 N2014 I2020 Q2021 | P2013-Q2017 WeakPolarHBondContact O-CB 3.36Å; P2013-Q2017 PolarHBondContact O-N 3.46Å; N2014-Q2017 PolarHBondContact O-N 3.3Å; Q2017-I2020 PolarHBondContact O-N 3.34Å; Q2017-Q2021 WeakPolarHBondContact O-CB 3.25Å; Q2017-Q2021 VanDerWaalsContact O-CG 3.27Å; Q2017-Q2021 WeakPolarHBondContact O-CG 3.39Å; Q2017-Q2021 PolarHBondContact O-N 3.16Å |
| 2018 | S | 72.6 | Confident | 69.9 | Low | 43 Ų | 43 | 50.8 Ų | 50.8 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 176.6 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | N2014 L2015 L2016 I2020 Q2021 Q2022 | N2014-S2018 WeakPolarHBondContact O-CB 3.34Å; N2014-S2018 PolarHBondContact O-N 3.16Å; N2014-S2018 PolarHBondContact O-OG 3.08Å; L2015-S2018 WeakPolarHBondContact CA-OG 3.42Å; L2015-S2018 PolarHBondContact O-N 3.17Å; L2015-S2018 PolarHBondContact O-OG 3.14Å; L2016-S2018 VanDerWaalsContact C-N 3.32Å; L2016-S2018 PolarHBondContact O-N 3.27Å; S2018-I2020 VanDerWaalsContact C-N 3.34Å; S2018-I2020 PolarHBondContact O-N 2.78Å; S2018-Q2021 PolarHBondContact O-N 3.11Å; S2018-Q2022 WeakPolarHBondContact O-CB 3.26Å; S2018-Q2022 VanDerWaalsContact O-CG 3.27Å; S2018-Q2022 WeakPolarHBondContact O-CG 3.32Å; S2018-Q2022 PolarHBondContact O-N 2.88Å |
| 2019 | A | 71.9 | Confident | 67.5 | Low | 20.6667 Ų | 20.6667 | 52.8 Ų | 52.8 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2015 L2016 Q2022 S2023 | L2015-A2019 WeakPolarHBondContact O-CB 3.35Å; L2015-A2019 PolarHBondContact O-N 3.03Å; L2016-A2019 PolarHBondContact O-N 3.23Å; A2019-Q2022 PolarHBondContact O-N 3.05Å; A2019-S2023 PolarHBondContact O-N 3.01Å; A2019-S2023 VanDerWaalsContact O-N 3.07Å |
| 2020 | I | 73.2 | Confident | 65.3 | Low | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 175.2 | -66.5 | 167.4 | 0 | 0 | 0 | 110.6 | L2016 Q2017 S2018 Q2022 S2023 N2024 I2093 Y2097 M2101 | L2016-I2020 HydrophobicContact CD1-CD1 4.28Å; L2016-I2020 HydrophobicContact CG-CD1 4.09Å; L2016-I2020 WeakPolarHBondContact O-CD1 3.32Å; L2016-I2020 VanDerWaalsContact O-CG1 3.28Å; L2016-I2020 WeakPolarHBondContact O-CG1 3.43Å; L2016-I2020 PolarHBondContact O-N 3.21Å; Q2017-I2020 PolarHBondContact O-N 3.34Å; S2018-I2020 VanDerWaalsContact C-N 3.34Å; S2018-I2020 PolarHBondContact O-N 2.78Å; I2020-Q2022 PolarHBondContact O-N 3.35Å; I2020-S2023 WeakPolarHBondContact O-CB 3.39Å; I2020-S2023 PolarHBondContact O-N 3.17Å; I2020-S2023 PolarHBondContact O-OG 3.18Å; I2020-N2024 PolarHBondContact O-N 3.27Å; I2020-N2024 VanDerWaalsContact O-N 3.11Å; I2020-I2093 HydrophobicContact CD1-CD1 4.13Å; I2020-I2093 HydrophobicContact CD1-CG2 3.83Å; I2020-Y2097 HydrophobicContact CG2-CD1 3.72Å; I2020-Y2097 HydrophobicContact CG2-CD2 3.71Å; I2020-Y2097 HydrophobicContact CG2-CE1 3.42Å; I2020-Y2097 VanDerWaalsContact CG2-CE1 3.44Å; I2020-Y2097 HydrophobicContact CG2-CE2 3.41Å; I2020-Y2097 VanDerWaalsContact CG2-CE2 3.46Å; I2020-Y2097 HydrophobicContact CG2-CG 3.84Å; I2020-M2101 HydrophobicContact CD1-CE 3.54Å; I2020-M2101 HydrophobicContact CD1-SD 4.11Å; I2020-M2101 HydrophobicContact CG1-CE 4.2Å |
| 2021 | Q | 69.9 | Low | 63 | Low | 104.667 Ų | 104.667 | 58.5 Ų | 58.5 | 49% | 0.489 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.6 | -75.2 | 175 | -1.5 | 0 | 0 | 112.6 | Q2017 S2018 S2023 N2024 I2025 | Q2017-Q2021 WeakPolarHBondContact O-CB 3.25Å; Q2017-Q2021 VanDerWaalsContact O-CG 3.27Å; Q2017-Q2021 WeakPolarHBondContact O-CG 3.39Å; Q2017-Q2021 PolarHBondContact O-N 3.16Å; S2018-Q2021 PolarHBondContact O-N 3.11Å; Q2021-S2023 VanDerWaalsContact C-N 3.32Å; Q2021-S2023 PolarHBondContact O-N 3.06Å; Q2021-N2024 VanDerWaalsContact O-CB 3.3Å; Q2021-N2024 WeakPolarHBondContact O-CB 3.13Å; Q2021-N2024 PolarHBondContact O-N 3.22Å; Q2021-N2024 VanDerWaalsContact O-N 3.09Å; Q2021-I2025 WeakPolarHBondContact O-CG1 3.4Å; Q2021-I2025 PolarHBondContact O-N 3.07Å |
| 2022 | Q | 64.3 | Low | 60.4 | Low | 121 Ų | 121 | 64.8 Ų | 64.8 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 175.2 | -74.9 | 175.6 | 6.8 | 0 | 0 | 112.1 | S2018 A2019 I2020 N2024 I2025 S2026 | S2018-Q2022 WeakPolarHBondContact O-CB 3.26Å; S2018-Q2022 VanDerWaalsContact O-CG 3.27Å; S2018-Q2022 WeakPolarHBondContact O-CG 3.32Å; S2018-Q2022 PolarHBondContact O-N 2.88Å; A2019-Q2022 PolarHBondContact O-N 3.05Å; I2020-Q2022 PolarHBondContact O-N 3.35Å; Q2022-N2024 PolarHBondContact O-N 3.21Å; Q2022-I2025 PolarHBondContact O-N 3.19Å; Q2022-I2025 VanDerWaalsContact O-N 3.15Å; Q2022-S2026 PolarHBondContact O-N 2.98Å; Q2022-S2026 PolarHBondContact O-OG 2.97Å |
| 2023 | S | 58.8 | Low | 57.9 | Low | 6.33333 Ų | 6.33333 | 72 Ų | 72 | 4% | 0.044 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.4 | -29 | 174 | 80.2 | 0 | 0 | 0 | 0 | 112.7 | A2019 I2020 Q2021 S2026 C2027 | A2019-S2023 PolarHBondContact O-N 3.01Å; A2019-S2023 VanDerWaalsContact O-N 3.07Å; I2020-S2023 WeakPolarHBondContact O-CB 3.39Å; I2020-S2023 PolarHBondContact O-N 3.17Å; I2020-S2023 PolarHBondContact O-OG 3.18Å; Q2021-S2023 VanDerWaalsContact C-N 3.32Å; Q2021-S2023 PolarHBondContact O-N 3.06Å; S2023-S2026 PolarHBondContact O-N 3.35Å; S2023-S2026 PolarHBondContact O-OG 3.13Å; S2023-C2027 PolarHBondContact O-N 3.23Å; S2023-C2027 VanDerWaalsContact O-N 3.13Å |
| 2024 | N | 50.1 | Low | 55.4 | Low | 69.3333 Ų | 69.3333 | 77 Ų | 77 | 37% | 0.371 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.9 | -37.3 | 176.2 | -91.7 | 11.8 | 0 | 0 | 0 | 113.7 | I2020 Q2021 Q2022 S2026 C2027 S2028 Y2097 | I2020-N2024 PolarHBondContact O-N 3.27Å; I2020-N2024 VanDerWaalsContact O-N 3.11Å; Q2021-N2024 VanDerWaalsContact O-CB 3.3Å; Q2021-N2024 WeakPolarHBondContact O-CB 3.13Å; Q2021-N2024 PolarHBondContact O-N 3.22Å; Q2021-N2024 VanDerWaalsContact O-N 3.09Å; Q2022-N2024 PolarHBondContact O-N 3.21Å; N2024-S2026 PolarHBondContact O-N 3.17Å; N2024-C2027 CarbonylContact O-C 3.59Å; N2024-C2027 PolarHBondContact O-N 2.94Å; N2024-C2027 VanDerWaalsContact O-N 3.1Å; N2024-S2028 WeakPolarHBondContact O-CB 3.44Å; N2024-S2028 PolarHBondContact O-N 3.05Å; N2024-S2028 PolarHBondContact O-OG 3.3Å; N2024-S2028 VanDerWaalsContact O-OG 3.09Å; N2024-Y2097 PolarHBondContact ND2-OH 3.28Å; N2024-Y2097 PolarHBondContact OD1-OH 2.9Å |
| 2025 | I | 50.2 | Low | 53.1 | Low | 113.333 Ų | 113.333 | 78.3 Ų | 78.3 | 58% | 0.581 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.6 | -36.9 | 178.5 | -65.7 | 166.6 | 0 | 0 | 0 | 109.6 | Q2021 Q2022 C2027 T2029 | Q2021-I2025 WeakPolarHBondContact O-CG1 3.4Å; Q2021-I2025 PolarHBondContact O-N 3.07Å; Q2022-I2025 PolarHBondContact O-N 3.19Å; Q2022-I2025 VanDerWaalsContact O-N 3.15Å; I2025-C2027 PolarHBondContact O-N 3.26Å; I2025-T2029 PolarHBondContact O-N 3.04Å; I2025-T2029 PolarHBondContact O-OG1 3.32Å |
| 2026 | S | 43 | Very low | 50.9 | Low | 24.3333 Ų | 24.3333 | 83.2 Ų | 83.2 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.5 | -24.7 | 174.9 | 49 | 0 | 0 | 0 | 0 | 114.9 | Q2022 S2023 N2024 I2030 T2045 | Q2022-S2026 PolarHBondContact O-N 2.98Å; Q2022-S2026 PolarHBondContact O-OG 2.97Å; S2023-S2026 PolarHBondContact O-N 3.35Å; S2023-S2026 PolarHBondContact O-OG 3.13Å; N2024-S2026 PolarHBondContact O-N 3.17Å; S2026-I2030 VanDerWaalsContact O-CD1 3.31Å; S2026-I2030 WeakPolarHBondContact O-CD1 3.35Å; S2026-I2030 VanDerWaalsContact O-CG1 3.31Å; S2026-I2030 WeakPolarHBondContact O-CG1 3.4Å; S2026-T2045 PolarHBondContact OG-OG1 2.96Å |
| 2027 | C | 37 | Very low | 48.4 | Very low | 44 Ų | 44 | 87.1 Ų | 87.1 | 30% | 0.297 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -91.6 | -31.6 | 177.7 | -78.6 | 0 | 0 | 0 | 0 | 113.5 | S2023 N2024 I2025 I2030 N2031 K2046 | S2023-C2027 PolarHBondContact O-N 3.23Å; S2023-C2027 VanDerWaalsContact O-N 3.13Å; N2024-C2027 CarbonylContact O-C 3.59Å; N2024-C2027 PolarHBondContact O-N 2.94Å; N2024-C2027 VanDerWaalsContact O-N 3.1Å; I2025-C2027 PolarHBondContact O-N 3.26Å; C2027-I2030 WeakPolarHBondContact O-CB 3.39Å; C2027-I2030 PolarHBondContact O-N 3.07Å; C2027-N2031 PolarHBondContact O-N 3.5Å; C2027-K2046 PolarHBondContact SG-NZ 3.01Å |
| 2028 | S | 38.7 | Very low | 46.5 | Very low | 68.3333 Ų | 68.3333 | 87.9 Ų | 87.9 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.3 | -27.2 | -178.5 | 58.2 | 0 | 0 | 0 | 0 | 113 | N2024 I2030 N2031 N2032 | N2024-S2028 WeakPolarHBondContact O-CB 3.44Å; N2024-S2028 PolarHBondContact O-N 3.05Å; N2024-S2028 PolarHBondContact O-OG 3.3Å; N2024-S2028 VanDerWaalsContact O-OG 3.09Å; S2028-I2030 PolarHBondContact O-N 3.16Å; S2028-N2031 CarbonylContact O-C 3.58Å; S2028-N2031 PolarHBondContact O-N 3.1Å; S2028-N2032 PolarHBondContact O-N 2.93Å |
| 2029 | T | 38.4 | Very low | 44.8 | Very low | 55.6667 Ų | 55.6667 | 90.3 Ų | 90.3 | 34% | 0.342 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -66.1 | -15.9 | 169.2 | 26.6 | 0 | 0 | 0 | 0 | 113.4 | I2025 N2031 N2032 R2033 | I2025-T2029 PolarHBondContact O-N 3.04Å; I2025-T2029 PolarHBondContact O-OG1 3.32Å; T2029-N2031 VanDerWaalsContact C-N 3.31Å; T2029-N2031 PolarHBondContact O-N 3.25Å; T2029-N2032 WeakPolarHBondContact CA-O 3.44Å; T2029-N2032 CarbonylContact O-C 3.59Å; T2029-R2033 WeakPolarHBondContact CG2-O 3.44Å; T2029-R2033 CarbonylContact O-C 3.5Å; T2029-R2033 VanDerWaalsContact O-C 3.29Å |
| 2030 | I | 40.8 | Very low | 43.2 | Very low | 108 Ų | 108 | 93.9 Ų | 93.9 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -74.7 | -25.8 | 174.2 | -60.1 | 171.4 | 0 | 0 | 0 | 111.1 | S2026 C2027 S2028 | S2026-I2030 VanDerWaalsContact O-CD1 3.31Å; S2026-I2030 WeakPolarHBondContact O-CD1 3.35Å; S2026-I2030 VanDerWaalsContact O-CG1 3.31Å; S2026-I2030 WeakPolarHBondContact O-CG1 3.4Å; C2027-I2030 WeakPolarHBondContact O-CB 3.39Å; C2027-I2030 PolarHBondContact O-N 3.07Å; S2028-I2030 PolarHBondContact O-N 3.16Å |
| 2031 | N | 38.4 | Very low | 41.6 | Very low | 132.333 Ų | 132.333 | 100.5 Ų | 100.5 | 71% | 0.708 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -93.9 | -19.4 | 179.3 | -75.5 | -5 | 0 | 0 | 0 | 113.9 | C2027 S2028 T2029 R2033 | C2027-N2031 PolarHBondContact O-N 3.5Å; S2028-N2031 CarbonylContact O-C 3.58Å; S2028-N2031 PolarHBondContact O-N 3.1Å; T2029-N2031 VanDerWaalsContact C-N 3.31Å; T2029-N2031 PolarHBondContact O-N 3.25Å; N2031-R2033 PolarHBondContact O-N 3.48Å |
| 2032 | N | 31.9 | Very low | 40.3 | Very low | 132 Ų | 132 | 96.6 Ų | 96.6 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -114.5 | 103.2 | 174.3 | -82 | -20.2 | 0 | 0 | 0 | 109.5 | S2028 T2029 N2034 | S2028-N2032 PolarHBondContact O-N 2.93Å; T2029-N2032 WeakPolarHBondContact CA-O 3.44Å; T2029-N2032 CarbonylContact O-C 3.59Å; N2032-N2034 PolarHBondContact O-N 2.91Å |
| 2033 | R | 32.4 | Very low | 39.3 | Very low | 193.667 Ų | 193.667 | 94.6 Ų | 94.6 | 73% | 0.731 | 51% | 0.509 | S | S | * | . | trans | -0.3 | 85.4 | 178.6 | -66.3 | 179.3 | 174.5 | 155.3 | -1.2 | 117.1 | S1321 T2029 N2031 I2035 | S1321-R2033 PolarHBondContact O-NH1 3.22Å; S1321-R2033 PolarHBondContact OG-NH1 2.89Å; T2029-R2033 WeakPolarHBondContact CG2-O 3.44Å; T2029-R2033 CarbonylContact O-C 3.5Å; T2029-R2033 VanDerWaalsContact O-C 3.29Å; N2031-R2033 PolarHBondContact O-N 3.48Å; R2033-I2035 PolarHBondContact O-N 3.17Å; R2033-I2035 VanDerWaalsContact O-N 3.1Å | ||
| 2034 | N | 31 | Very low | 38.8 | Very low | 115.667 Ų | 115.667 | 96 Ų | 96 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | trans | -41 | 99.6 | 161.5 | -67.8 | -11.6 | 0 | 0 | 0 | 112.6 | N2032 | N2032-N2034 PolarHBondContact O-N 2.91Š| ||
| 2035 | I | 33.2 | Very low | 38.8 | Very low | 135 Ų | 135 | 94.8 Ų | 94.8 | 69% | 0.692 | 51% | 0.514 | S | S | * | . | trans | -167 | 113.5 | 156.6 | -55.3 | 171 | 0 | 0 | 0 | 109.6 | R2033 C2037 | R2033-I2035 PolarHBondContact O-N 3.17Å; R2033-I2035 VanDerWaalsContact O-N 3.1Å; I2035-C2037 VanDerWaalsContact C-N 3.31Å; I2035-C2037 PolarHBondContact O-N 3.27Å; I2035-C2037 PolarHBondContact O-SG 3.17Å; I2035-C2037 VanDerWaalsContact O-SG 3.37Å | ||
| 2036 | N | 32.6 | Very low | 38.9 | Very low | 163.667 Ų | 163.667 | 92.1 Ų | 92.1 | 88% | 0.875 | 50% | 0.498 | S | S | * | . | trans | -18.6 | 86.6 | 160.2 | -71.7 | -22.6 | 0 | 0 | 0 | 113.2 | ||||
| 2037 | C | 30.6 | Very low | 39.8 | Very low | 81 Ų | 81 | 93.7 Ų | 93.7 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | trans | -109.7 | 116.5 | 169.3 | -76.1 | 0 | 0 | 0 | 0 | 109.1 | I2035 P2039 | I2035-C2037 VanDerWaalsContact C-N 3.31Å; I2035-C2037 PolarHBondContact O-N 3.27Å; I2035-C2037 PolarHBondContact O-SG 3.17Å; I2035-C2037 VanDerWaalsContact O-SG 3.37Å; C2037-P2039 WeakPolarHBondContact O-CD 3.22Å | ||
| 2038 | D | 37.1 | Very low | 41.2 | Very low | 106 Ų | 106 | 92.6 Ų | 92.6 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | trans | -54.5 | 119.3 | 169.4 | -104 | -31.5 | 0 | 0 | 0 | 109.1 | T2040 K2041 | D2038-T2040 WeakPolarHBondContact CB-OG1 3.38Å; D2038-T2040 PolarHBondContact O-N 3Å; D2038-K2041 HydrophobicContact CB-CG 4.5Å; D2038-K2041 PolarHBondContact O-N 3.2Å | ||
| 2039 | P | 37.3 | Very low | 42.9 | Very low | 93.6667 Ų | 93.6667 | 89.5 Ų | 89.5 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60 | -16.9 | -179.7 | 22.6 | -32.3 | 0 | 0 | 0 | 112.7 | C2037 K2041 S2042 L2043 | C2037-P2039 WeakPolarHBondContact O-CD 3.22Å; P2039-K2041 VanDerWaalsContact C-N 3.3Å; P2039-K2041 PolarHBondContact O-N 2.94Å; P2039-S2042 PolarHBondContact O-N 3.38Å; P2039-S2042 PolarHBondContact O-OG 3.17Å; P2039-S2042 VanDerWaalsContact O-OG 3.1Å; P2039-L2043 PolarHBondContact O-N 3.5Å |
| 2040 | T | 39.3 | Very low | 44.7 | Very low | 96 Ų | 96 | 89.6 Ų | 89.6 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -31.2 | 174.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | D2038 S2044 | D2038-T2040 WeakPolarHBondContact CB-OG1 3.38Å; D2038-T2040 PolarHBondContact O-N 3Å; T2040-S2044 WeakPolarHBondContact O-CB 3.44Å; T2040-S2044 PolarHBondContact O-N 3.17Å; T2040-S2044 PolarHBondContact O-OG 3.08Å |
| 2041 | K | 39.3 | Very low | 46.6 | Very low | 147 Ų | 147 | 87.7 Ų | 87.7 | 64% | 0.639 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -75 | -35.8 | 178.8 | -75.7 | -177.6 | 179 | 174.8 | 0 | 113 | D2038 P2039 S2044 T2045 | D2038-K2041 HydrophobicContact CB-CG 4.5Å; D2038-K2041 PolarHBondContact O-N 3.2Å; P2039-K2041 VanDerWaalsContact C-N 3.3Å; P2039-K2041 PolarHBondContact O-N 2.94Å; K2041-S2044 WeakPolarHBondContact CA-OG 3.32Å; K2041-S2044 PolarHBondContact O-N 3.37Å; K2041-S2044 PolarHBondContact O-OG 3.13Å; K2041-T2045 WeakPolarHBondContact O-CG2 3.47Å; K2041-T2045 PolarHBondContact O-N 3.06Å; K2041-T2045 PolarHBondContact O-OG1 3.46Å |
| 2042 | S | 42.6 | Very low | 48.8 | Very low | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.161 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -71.3 | -35.8 | 178.6 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | P2039 S2044 T2045 K2046 | P2039-S2042 PolarHBondContact O-N 3.38Å; P2039-S2042 PolarHBondContact O-OG 3.17Å; P2039-S2042 VanDerWaalsContact O-OG 3.1Å; S2042-S2044 VanDerWaalsContact C-N 3.33Å; S2042-T2045 PolarHBondContact O-N 3.16Å; S2042-T2045 PolarHBondContact O-OG1 2.83Å; S2042-T2045 VanDerWaalsContact O-OG1 3.13Å; S2042-K2046 PolarHBondContact O-N 3.27Å |
| 2043 | L | 41.9 | Very low | 51.4 | Low | 78.6667 Ų | 78.6667 | 75.8 Ų | 75.8 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 175.7 | -120.9 | 79.3 | 0 | 0 | 0 | 112 | P2039 T2045 K2046 S2047 | P2039-L2043 PolarHBondContact O-N 3.5Å; L2043-T2045 PolarHBondContact O-N 2.9Å; L2043-K2046 PolarHBondContact O-N 3.31Å; L2043-S2047 WeakPolarHBondContact O-CB 3.41Å; L2043-S2047 PolarHBondContact O-N 3.17Å; L2043-S2047 VanDerWaalsContact O-N 3.12Å; L2043-S2047 PolarHBondContact O-OG 3.15Å |
| 2044 | S | 48 | Very low | 54 | Low | 35.6667 Ų | 35.6667 | 70.4 Ų | 70.4 | 25% | 0.249 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 179 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | T2040 K2041 S2042 K2046 S2047 S2048 | T2040-S2044 WeakPolarHBondContact O-CB 3.44Å; T2040-S2044 PolarHBondContact O-N 3.17Å; T2040-S2044 PolarHBondContact O-OG 3.08Å; K2041-S2044 WeakPolarHBondContact CA-OG 3.32Å; K2041-S2044 PolarHBondContact O-N 3.37Å; K2041-S2044 PolarHBondContact O-OG 3.13Å; S2042-S2044 VanDerWaalsContact C-N 3.33Å; S2044-K2046 PolarHBondContact O-N 3.5Å; S2044-S2047 WeakPolarHBondContact CA-OG 3.47Å; S2044-S2047 PolarHBondContact O-N 3Å; S2044-S2047 PolarHBondContact O-OG 3.02Å; S2044-S2047 VanDerWaalsContact O-OG 3.06Å; S2044-S2048 WeakPolarHBondContact O-CB 3.27Å; S2044-S2048 PolarHBondContact O-N 3.31Å; S2044-S2048 VanDerWaalsContact O-N 3.09Å; S2044-S2048 PolarHBondContact O-OG 3.25Å |
| 2045 | T | 50.5 | Low | 56.7 | Low | 44.3333 Ų | 44.3333 | 64.9 Ų | 64.9 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | S2026 K2041 S2042 L2043 S2048 C2049 | S2026-T2045 PolarHBondContact OG-OG1 2.96Å; K2041-T2045 WeakPolarHBondContact O-CG2 3.47Å; K2041-T2045 PolarHBondContact O-N 3.06Å; K2041-T2045 PolarHBondContact O-OG1 3.46Å; S2042-T2045 PolarHBondContact O-N 3.16Å; S2042-T2045 PolarHBondContact O-OG1 2.83Å; S2042-T2045 VanDerWaalsContact O-OG1 3.13Å; L2043-T2045 PolarHBondContact O-N 2.9Å; T2045-S2048 WeakPolarHBondContact O-CB 3.41Å; T2045-S2048 PolarHBondContact O-N 3.05Å; T2045-C2049 PolarHBondContact O-N 3.24Å; T2045-C2049 VanDerWaalsContact O-N 3.1Å |
| 2046 | K | 53.8 | Low | 59.5 | Low | 56 Ų | 56 | 58.6 Ų | 58.6 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 175.5 | -81.1 | -177.7 | 178.3 | 177 | 0 | 112.6 | D1460 C2027 S2042 L2043 S2044 S2048 C2049 S2050 | D1460-K2046 IonicContact OD1-NZ 2.72Å; D1460-K2046 PolarHBondContact OD1-NZ 3.42Å; D1460-K2046 IonicContact OD2-NZ 3.46Å; D1460-K2046 PolarHBondContact OD2-NZ 3.08Å; C2027-K2046 PolarHBondContact SG-NZ 3.01Å; S2042-K2046 PolarHBondContact O-N 3.27Å; L2043-K2046 PolarHBondContact O-N 3.31Å; S2044-K2046 PolarHBondContact O-N 3.5Å; K2046-S2048 VanDerWaalsContact C-N 3.27Å; K2046-S2048 PolarHBondContact O-N 3.24Å; K2046-C2049 WeakPolarHBondContact O-CB 3.48Å; K2046-C2049 PolarHBondContact O-N 3.09Å; K2046-C2049 VanDerWaalsContact O-N 3.13Å; K2046-S2050 PolarHBondContact O-N 3.04Å |
| 2047 | S | 60.5 | Low | 62.3 | Low | 57 Ų | 57 | 50.9 Ų | 50.9 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | L2043 S2044 S2050 Q2051 | L2043-S2047 WeakPolarHBondContact O-CB 3.41Å; L2043-S2047 PolarHBondContact O-N 3.17Å; L2043-S2047 VanDerWaalsContact O-N 3.12Å; L2043-S2047 PolarHBondContact O-OG 3.15Å; S2044-S2047 WeakPolarHBondContact CA-OG 3.47Å; S2044-S2047 PolarHBondContact O-N 3Å; S2044-S2047 PolarHBondContact O-OG 3.02Å; S2044-S2047 VanDerWaalsContact O-OG 3.06Å; S2047-S2050 PolarHBondContact O-N 3.32Å; S2047-S2050 PolarHBondContact O-OG 2.77Å; S2047-Q2051 VanDerWaalsContact O-CG 3.28Å; S2047-Q2051 WeakPolarHBondContact O-CG 3.27Å; S2047-Q2051 PolarHBondContact O-N 3.24Å; S2047-Q2051 VanDerWaalsContact O-N 3.09Å |
| 2048 | S | 67.1 | Low | 65.1 | Low | 22.6667 Ų | 22.6667 | 47.9 Ų | 47.9 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 174 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | T1886 S2044 T2045 K2046 S2050 Q2051 V2052 | T1886-S2048 WeakPolarHBondContact CB-OG 3.48Å; T1886-S2048 VanDerWaalsContact OG1-CB 3.24Å; T1886-S2048 WeakPolarHBondContact OG1-CB 3.43Å; T1886-S2048 PolarHBondContact OG1-OG 2.79Å; S2044-S2048 WeakPolarHBondContact O-CB 3.27Å; S2044-S2048 PolarHBondContact O-N 3.31Å; S2044-S2048 VanDerWaalsContact O-N 3.09Å; S2044-S2048 PolarHBondContact O-OG 3.25Å; T2045-S2048 WeakPolarHBondContact O-CB 3.41Å; T2045-S2048 PolarHBondContact O-N 3.05Å; K2046-S2048 VanDerWaalsContact C-N 3.27Å; K2046-S2048 PolarHBondContact O-N 3.24Å; S2048-S2050 PolarHBondContact O-N 3.11Å; S2048-Q2051 PolarHBondContact O-N 3.05Å; S2048-V2052 WeakPolarHBondContact O-CG2 3.38Å; S2048-V2052 PolarHBondContact O-N 3.3Å; S2048-V2052 VanDerWaalsContact O-N 3.15Å |
| 2049 | C | 74.4 | Confident | 67.7 | Low | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.2 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | T2045 K2046 Q2051 V2052 I2053 | T2045-C2049 PolarHBondContact O-N 3.24Å; T2045-C2049 VanDerWaalsContact O-N 3.1Å; K2046-C2049 WeakPolarHBondContact O-CB 3.48Å; K2046-C2049 PolarHBondContact O-N 3.09Å; K2046-C2049 VanDerWaalsContact O-N 3.13Å; C2049-Q2051 VanDerWaalsContact C-N 3.3Å; C2049-Q2051 PolarHBondContact O-N 3.16Å; C2049-V2052 PolarHBondContact O-N 3.18Å; C2049-I2053 VanDerWaalsContact O-CD1 3.3Å; C2049-I2053 WeakPolarHBondContact O-CD1 3.17Å; C2049-I2053 VanDerWaalsContact O-CG1 3.27Å; C2049-I2053 WeakPolarHBondContact O-CG1 3.25Å; C2049-I2053 PolarHBondContact O-N 3.25Å |
| 2050 | S | 76.6 | Confident | 70.4 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 177.1 | 153.7 | 0 | 0 | 0 | 0 | 112.5 | K2046 S2047 S2048 I2053 Q2054 | K2046-S2050 PolarHBondContact O-N 3.04Å; S2047-S2050 PolarHBondContact O-N 3.32Å; S2047-S2050 PolarHBondContact O-OG 2.77Å; S2048-S2050 PolarHBondContact O-N 3.11Å; S2050-I2053 PolarHBondContact O-N 3.35Å; S2050-Q2054 WeakPolarHBondContact O-CB 3.3Å; S2050-Q2054 PolarHBondContact O-N 3.29Å |
| 2051 | Q | 80.4 | Confident | 72.9 | Confident | 68.3333 Ų | 68.3333 | 35.8 Ų | 35.8 | 32% | 0.319 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.2 | -70.9 | 171.5 | 13.6 | 0 | 0 | 112.4 | T1886 S1974 S2047 S2048 C2049 Q2054 C2055 | T1886-Q2051 HydrophobicContact CG2-CB 4.48Å; T1886-Q2051 VanDerWaalsContact CG2-OE1 3.24Å; S1974-Q2051 WeakPolarHBondContact OG-CG 3.49Å; S1974-Q2051 PolarHBondContact OG-OE1 3.11Å; S2047-Q2051 VanDerWaalsContact O-CG 3.28Å; S2047-Q2051 WeakPolarHBondContact O-CG 3.27Å; S2047-Q2051 PolarHBondContact O-N 3.24Å; S2047-Q2051 VanDerWaalsContact O-N 3.09Å; S2048-Q2051 PolarHBondContact O-N 3.05Å; C2049-Q2051 VanDerWaalsContact C-N 3.3Å; C2049-Q2051 PolarHBondContact O-N 3.16Å; Q2051-Q2054 PolarHBondContact O-N 3.28Å; Q2051-C2055 WeakPolarHBondContact O-CB 3.43Å; Q2051-C2055 PolarHBondContact O-N 3.16Å |
| 2052 | V | 84 | Confident | 75.4 | Confident | 11.3333 Ų | 11.3333 | 28.8 Ų | 28.8 | 7% | 0.069 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | P1973 L2015 S2048 C2049 Q2054 C2055 Y2056 | P1973-V2052 HydrophobicContact CB-CG2 4.33Å; P1973-V2052 HydrophobicContact CG-CG2 4.12Å; L2015-V2052 HydrophobicContact CD2-CG1 4.19Å; S2048-V2052 WeakPolarHBondContact O-CG2 3.38Å; S2048-V2052 PolarHBondContact O-N 3.3Å; S2048-V2052 VanDerWaalsContact O-N 3.15Å; C2049-V2052 PolarHBondContact O-N 3.18Å; V2052-Q2054 VanDerWaalsContact C-N 3.33Å; V2052-Q2054 PolarHBondContact O-N 3.03Å; V2052-C2055 WeakPolarHBondContact O-CB 3.41Å; V2052-C2055 PolarHBondContact O-N 3.18Å; V2052-Y2056 HydrophobicContact CG1-CD1 4.41Å; V2052-Y2056 HydrophobicContact CG1-CD2 4.47Å; V2052-Y2056 HydrophobicContact CG1-CE1 4.05Å; V2052-Y2056 HydrophobicContact CG1-CE2 4.21Å; V2052-Y2056 PolarHBondContact O-N 2.98Å |
| 2053 | I | 86 | Confident | 77.8 | Confident | 3.66667 Ų | 3.66667 | 27.7 Ų | 27.7 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 177.5 | -67.4 | 162.7 | 0 | 0 | 0 | 110.9 | L2016 C2049 S2050 C2055 Y2056 A2057 L2100 M2101 L2104 | L2016-I2053 HydrophobicContact CD1-CD1 4.3Å; L2016-I2053 HydrophobicContact CD1-CG1 3.65Å; C2049-I2053 VanDerWaalsContact O-CD1 3.3Å; C2049-I2053 WeakPolarHBondContact O-CD1 3.17Å; C2049-I2053 VanDerWaalsContact O-CG1 3.27Å; C2049-I2053 WeakPolarHBondContact O-CG1 3.25Å; C2049-I2053 PolarHBondContact O-N 3.25Å; S2050-I2053 PolarHBondContact O-N 3.35Å; I2053-C2055 VanDerWaalsContact C-N 3.32Å; I2053-C2055 PolarHBondContact O-N 3.31Å; I2053-Y2056 PolarHBondContact O-N 3.2Å; I2053-A2057 WeakPolarHBondContact O-CB 3.43Å; I2053-A2057 PolarHBondContact O-N 3.16Å; I2053-L2100 HydrophobicContact CD1-CB 4.01Å; I2053-L2100 HydrophobicContact CD1-CD2 3.58Å; I2053-L2100 HydrophobicContact CD1-CG 4.49Å; I2053-L2100 WeakPolarHBondContact CG2-O 3.29Å; I2053-M2101 HydrophobicContact CD1-CE 3.2Å; I2053-M2101 HydrophobicContact CD1-SD 3.8Å; I2053-M2101 HydrophobicContact CG1-CE 3.5Å; I2053-M2101 VanDerWaalsContact CG1-CE 3.5Å; I2053-M2101 HydrophobicContact CG1-SD 4.14Å; I2053-L2104 HydrophobicContact CG2-CB 3.81Å; I2053-L2104 HydrophobicContact CG2-CD2 4.32Å |
| 2054 | Q | 87 | Confident | 80.2 | Confident | 80.3333 Ų | 80.3333 | 26.7 Ų | 26.7 | 38% | 0.375 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.8 | -172 | 62.6 | 44.5 | 0 | 0 | 111.9 | S2050 Q2051 V2052 A2057 N2058 | S2050-Q2054 WeakPolarHBondContact O-CB 3.3Å; S2050-Q2054 PolarHBondContact O-N 3.29Å; Q2051-Q2054 PolarHBondContact O-N 3.28Å; V2052-Q2054 VanDerWaalsContact C-N 3.33Å; V2052-Q2054 PolarHBondContact O-N 3.03Å; Q2054-A2057 PolarHBondContact O-N 3.07Å; Q2054-N2058 PolarHBondContact NE2-OD1 3.21Å; Q2054-N2058 WeakPolarHBondContact O-CB 3.28Å; Q2054-N2058 PolarHBondContact O-N 3.25Å |
| 2055 | C | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 174.3 | -175 | 0 | 0 | 0 | 0 | 111 | P1973 Q2051 V2052 I2053 A2057 N2058 C2059 | P1973-C2055 HydrophobicContact CB-CB 4.05Å; P1973-C2055 WeakPolarHBondContact O-CB 3.27Å; Q2051-C2055 WeakPolarHBondContact O-CB 3.43Å; Q2051-C2055 PolarHBondContact O-N 3.16Å; V2052-C2055 WeakPolarHBondContact O-CB 3.41Å; V2052-C2055 PolarHBondContact O-N 3.18Å; I2053-C2055 VanDerWaalsContact C-N 3.32Å; I2053-C2055 PolarHBondContact O-N 3.31Å; C2055-A2057 VanDerWaalsContact C-N 3.34Å; C2055-A2057 PolarHBondContact O-N 3.04Å; C2055-N2058 PolarHBondContact O-N 3.28Å; C2055-C2059 PolarHBondContact O-N 3.32Å; C2055-C2059 PolarHBondContact O-SG 3.19Å |
| 2056 | Y | 91.4 | Very high | 84.1 | Confident | 2.33333 Ų | 2.33333 | 24 Ų | 24 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.1 | -72.3 | 6.1 | 0 | 0 | 0 | 111.7 | I2010 I2011 D2012 L2016 V2052 I2053 N2058 C2059 I2060 | I2010-Y2056 HydrophobicContact CG2-CD1 4.24Å; I2010-Y2056 HydrophobicContact CG2-CE1 3.8Å; I2010-Y2056 WeakPolarHBondContact O-CE1 3.42Å; I2010-Y2056 PolarHBondContact O-OH 2.88Å; I2011-Y2056 HydrophobicContact CG1-CD1 4.48Å; I2011-Y2056 HydrophobicContact CG1-CG 4.4Å; I2011-Y2056 HydrophobicContact CG2-CD2 4.32Å; I2011-Y2056 HydrophobicContact CG2-CE2 4.48Å; D2012-Y2056 PolarHBondContact N-OH 3.26Å; D2012-Y2056 VanDerWaalsContact N-OH 3.14Å; L2016-Y2056 HydrophobicContact CB-CE2 4.22Å; L2016-Y2056 HydrophobicContact CD2-CD2 4.45Å; V2052-Y2056 HydrophobicContact CG1-CD1 4.41Å; V2052-Y2056 HydrophobicContact CG1-CD2 4.47Å; V2052-Y2056 HydrophobicContact CG1-CE1 4.05Å; V2052-Y2056 HydrophobicContact CG1-CE2 4.21Å; V2052-Y2056 PolarHBondContact O-N 2.98Å; I2053-Y2056 PolarHBondContact O-N 3.2Å; Y2056-N2058 VanDerWaalsContact C-N 3.33Å; Y2056-N2058 PolarHBondContact O-N 3.1Å; Y2056-C2059 WeakPolarHBondContact O-CB 3.45Å; Y2056-C2059 PolarHBondContact O-N 3.21Å; Y2056-I2060 VanDerWaalsContact O-CG1 3.31Å; Y2056-I2060 WeakPolarHBondContact O-CG1 3.34Å; Y2056-I2060 PolarHBondContact O-N 3.29Å |
| 2057 | A | 91.3 | Very high | 85.7 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I2053 Q2054 C2055 I2060 H2061 L2104 E2107 | I2053-A2057 WeakPolarHBondContact O-CB 3.43Å; I2053-A2057 PolarHBondContact O-N 3.16Å; Q2054-A2057 PolarHBondContact O-N 3.07Å; C2055-A2057 VanDerWaalsContact C-N 3.34Å; C2055-A2057 PolarHBondContact O-N 3.04Å; A2057-I2060 PolarHBondContact O-N 3.21Å; A2057-H2061 VanDerWaalsContact O-CB 3.28Å; A2057-H2061 WeakPolarHBondContact O-CB 3.38Å; A2057-H2061 PolarHBondContact O-N 3.3Å; A2057-L2104 HydrophobicContact CB-CB 4.45Å; A2057-L2104 HydrophobicContact CB-CD1 4.25Å; A2057-E2107 HydrophobicContact CB-CG 4.44Å |
| 2058 | N | 90.6 | Very high | 86.9 | Confident | 17 Ų | 17 | 21.2 Ų | 21.2 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 177.4 | -74.6 | 3.3 | 0 | 0 | 0 | 112.4 | S1977 I1980 Q2054 C2055 Y2056 I2060 H2061 I2062 | S1977-N2058 PolarHBondContact O-ND2 2.79Å; S1977-N2058 PolarHBondContact OG-ND2 3.18Å; I1980-N2058 HydrophobicContact CB-CB 4.37Å; I1980-N2058 HydrophobicContact CG2-CB 4.03Å; I1980-N2058 VanDerWaalsContact CG2-O 3.28Å; I1980-N2058 WeakPolarHBondContact CG2-O 3.22Å; Q2054-N2058 PolarHBondContact NE2-OD1 3.21Å; Q2054-N2058 WeakPolarHBondContact O-CB 3.28Å; Q2054-N2058 PolarHBondContact O-N 3.25Å; C2055-N2058 PolarHBondContact O-N 3.28Å; Y2056-N2058 VanDerWaalsContact C-N 3.33Å; Y2056-N2058 PolarHBondContact O-N 3.1Å; N2058-I2060 VanDerWaalsContact C-N 3.33Å; N2058-I2060 PolarHBondContact O-N 3.15Å; N2058-H2061 WeakPolarHBondContact O-CB 3.38Å; N2058-H2061 PolarHBondContact O-N 2.9Å; N2058-I2062 PolarHBondContact O-N 3.1Å |
| 2059 | C | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 172.6 | -68 | 0 | 0 | 0 | 0 | 111.6 | I1980 I2011 C2055 Y2056 H2061 I2062 L2063 | I1980-C2059 HydrophobicContact CD1-CB 4.36Å; I1980-C2059 WeakPolarHBondContact CD1-SG 3.43Å; I2011-C2059 HydrophobicContact CD1-CB 4.4Å; C2055-C2059 PolarHBondContact O-N 3.32Å; C2055-C2059 PolarHBondContact O-SG 3.19Å; Y2056-C2059 WeakPolarHBondContact O-CB 3.45Å; Y2056-C2059 PolarHBondContact O-N 3.21Å; C2059-H2061 VanDerWaalsContact C-N 3.34Å; C2059-I2062 WeakPolarHBondContact O-CG2 3.36Å; C2059-L2063 VanDerWaalsContact O-CG 3.28Å; C2059-L2063 WeakPolarHBondContact O-CG 3.39Å; C2059-L2063 PolarHBondContact O-N 3.2Å |
| 2060 | I | 93.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 177.4 | -66.8 | 177 | 0 | 0 | 0 | 110.7 | I2011 Y2056 A2057 N2058 I2062 L2063 R2064 I2087 L2104 E2107 I2108 L2111 | I2011-I2060 HydrophobicContact CD1-CD1 4.08Å; I2011-I2060 HydrophobicContact CD1-CG1 3.53Å; Y2056-I2060 VanDerWaalsContact O-CG1 3.31Å; Y2056-I2060 WeakPolarHBondContact O-CG1 3.34Å; Y2056-I2060 PolarHBondContact O-N 3.29Å; A2057-I2060 PolarHBondContact O-N 3.21Å; N2058-I2060 VanDerWaalsContact C-N 3.33Å; N2058-I2060 PolarHBondContact O-N 3.15Å; I2060-I2062 PolarHBondContact O-N 2.95Å; I2060-L2063 PolarHBondContact O-N 3.19Å; I2060-R2064 WeakPolarHBondContact O-CB 3.28Å; I2060-R2064 PolarHBondContact O-N 3.17Å; I2060-I2087 HydrophobicContact CD1-CD1 4.08Å; I2060-I2087 HydrophobicContact CD1-CG1 4.32Å; I2060-I2087 HydrophobicContact CD1-CG2 4.18Å; I2060-I2087 HydrophobicContact CG1-CD1 4.26Å; I2060-L2104 HydrophobicContact CD1-CD1 3.71Å; I2060-E2107 HydrophobicContact CB-CB 4.34Å; I2060-E2107 HydrophobicContact CG2-CB 3.95Å; I2060-I2108 HydrophobicContact CD1-CD1 4.25Å; I2060-I2108 HydrophobicContact CD1-CG1 3.58Å; I2060-L2111 HydrophobicContact CG2-CB 4.01Å; I2060-L2111 HydrophobicContact CG2-CD2 3.89Å |
| 2061 | H | 92.9 | Very high | 88.5 | Confident | 41.6667 Ų | 41.6667 | 29.1 Ų | 29.1 | 19% | 0.193 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 179 | -172.8 | 84.3 | 0 | 0 | 0 | 111.8 | I1984 A2057 N2058 C2059 L2063 R2064 C2065 E2107 | I1984-H2061 HydrophobicContact CD1-CB 4.29Å; I1984-H2061 WeakPolarHBondContact CD1-CD2 3.36Å; A2057-H2061 VanDerWaalsContact O-CB 3.28Å; A2057-H2061 WeakPolarHBondContact O-CB 3.38Å; A2057-H2061 PolarHBondContact O-N 3.3Å; N2058-H2061 WeakPolarHBondContact O-CB 3.38Å; N2058-H2061 PolarHBondContact O-N 2.9Å; C2059-H2061 VanDerWaalsContact C-N 3.34Å; H2061-L2063 PolarHBondContact O-N 3.49Å; H2061-R2064 PolarHBondContact CE1-NH2 3.24Å; H2061-R2064 PolarHBondContact ND1-NH2 3.14Å; H2061-R2064 WeakPolarHBondContact O-CB 3.39Å; H2061-R2064 PolarHBondContact O-N 3.15Å; H2061-C2065 PolarHBondContact O-N 3.32Å; H2061-C2065 PolarHBondContact O-SG 3.38Å; H2061-C2065 VanDerWaalsContact O-SG 3.35Å; H2061-E2107 WeakPolarHBondContact CA-OE2 3.5Å; H2061-E2107 HydrophobicContact CB-CG 4.28Å; H2061-E2107 IonicContact CE1-OE1 3.05Å; H2061-E2107 IonicContact CG-OE1 2.9Å; H2061-E2107 IonicContact CG-OE2 3.4Å; H2061-E2107 IonicContact ND1-OE1 2.92Å; H2061-E2107 PolarHBondContact ND1-OE1 3.36Å; H2061-E2107 IonicContact ND1-OE2 3.07Å; H2061-E2107 PolarHBondContact ND1-OE2 3.06Å |
| 2062 | I | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.1 | -172.6 | 168.8 | 0 | 0 | 0 | 111.8 | I1980 L1983 I1984 M1987 L1998 L2007 N2058 C2059 I2060 R2064 C2065 Q2066 | I1980-I2062 HydrophobicContact CG2-CB 3.85Å; I1980-I2062 HydrophobicContact CG2-CD1 4.41Å; I1980-I2062 HydrophobicContact CG2-CG2 3.63Å; L1983-I2062 HydrophobicContact CB-CD1 4Å; L1983-I2062 HydrophobicContact CD2-CD1 3.1Å; L1983-I2062 HydrophobicContact CG-CD1 3.39Å; L1983-I2062 VanDerWaalsContact CG-CD1 3.41Å; I1984-I2062 HydrophobicContact CD1-CB 4.24Å; I1984-I2062 HydrophobicContact CG1-CB 3.89Å; I1984-I2062 HydrophobicContact CG1-CD1 4.48Å; I1984-I2062 HydrophobicContact CG1-CG1 4.19Å; M1987-I2062 HydrophobicContact CE-CG1 4.19Å; M1987-I2062 HydrophobicContact SD-CD1 3.96Å; M1987-I2062 HydrophobicContact SD-CG1 3.68Å; L1998-I2062 HydrophobicContact CD1-CD1 4.42Å; L2007-I2062 HydrophobicContact CD1-CG2 3.9Å; N2058-I2062 PolarHBondContact O-N 3.1Å; C2059-I2062 WeakPolarHBondContact O-CG2 3.36Å; I2060-I2062 PolarHBondContact O-N 2.95Å; I2062-R2064 VanDerWaalsContact C-N 3.26Å; I2062-R2064 PolarHBondContact O-N 2.97Å; I2062-C2065 WeakPolarHBondContact O-CB 3.18Å; I2062-C2065 PolarHBondContact O-N 3.04Å; I2062-C2065 VanDerWaalsContact O-N 3.13Å; I2062-Q2066 HydrophobicContact CG1-CG 4.41Å; I2062-Q2066 WeakPolarHBondContact O-CG 3.38Å; I2062-Q2066 PolarHBondContact O-N 3Å |
| 2063 | L | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.3 | -67.7 | 173.7 | 0 | 0 | 0 | 111.4 | N2004 M2008 C2059 I2060 H2061 Q2066 A2067 L2077 F2083 | N2004-L2063 HydrophobicContact CB-CD2 4.32Å; M2008-L2063 HydrophobicContact CE-CD2 4.21Å; M2008-L2063 HydrophobicContact CG-CD1 3.84Å; M2008-L2063 HydrophobicContact CG-CD2 4.41Å; C2059-L2063 VanDerWaalsContact O-CG 3.28Å; C2059-L2063 WeakPolarHBondContact O-CG 3.39Å; C2059-L2063 PolarHBondContact O-N 3.2Å; I2060-L2063 PolarHBondContact O-N 3.19Å; H2061-L2063 PolarHBondContact O-N 3.49Å; L2063-Q2066 PolarHBondContact O-N 3.42Å; L2063-A2067 VanDerWaalsContact O-CB 3.32Å; L2063-A2067 WeakPolarHBondContact O-CB 3.23Å; L2063-A2067 PolarHBondContact O-N 3.07Å; L2063-L2077 HydrophobicContact CB-CD1 4.42Å; L2063-L2077 HydrophobicContact CD1-CD2 4.48Å; L2063-L2077 HydrophobicContact CD2-CD2 4.37Å; L2063-F2083 HydrophobicContact CD1-CE2 3.78Å; L2063-F2083 HydrophobicContact CD1-CZ 3.71Å |
| 2064 | R | 92.1 | Very high | 88.8 | Confident | 57.6667 Ų | 57.6667 | 30.6 Ų | 30.6 | 22% | 0.218 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 173.6 | 178.8 | 174.6 | 67.5 | 84.7 | -7.6 | 111.9 | I2060 H2061 I2062 Q2066 A2067 A2068 E2107 S2110 L2111 C2114 | I2060-R2064 WeakPolarHBondContact O-CB 3.28Å; I2060-R2064 PolarHBondContact O-N 3.17Å; H2061-R2064 PolarHBondContact CE1-NH2 3.24Å; H2061-R2064 PolarHBondContact ND1-NH2 3.14Å; H2061-R2064 WeakPolarHBondContact O-CB 3.39Å; H2061-R2064 PolarHBondContact O-N 3.15Å; I2062-R2064 VanDerWaalsContact C-N 3.26Å; I2062-R2064 PolarHBondContact O-N 2.97Å; R2064-Q2066 VanDerWaalsContact C-N 3.32Å; R2064-Q2066 PolarHBondContact O-N 3.27Å; R2064-A2067 PolarHBondContact O-N 3.31Å; R2064-A2068 WeakPolarHBondContact O-CB 3.44Å; R2064-A2068 PolarHBondContact O-N 2.91Å; R2064-E2107 IonicContact CZ-OE2 3.65Å; R2064-E2107 IonicContact NE-OE2 3.69Å; R2064-E2107 PolarHBondContact NE-OE2 3.06Å; R2064-E2107 IonicContact NH2-OE1 3.19Å; R2064-E2107 PolarHBondContact NH2-OE1 3.04Å; R2064-E2107 VanDerWaalsContact NH2-OE1 3.09Å; R2064-E2107 IonicContact NH2-OE2 3.19Å; R2064-E2107 PolarHBondContact NH2-OE2 3.04Å; R2064-S2110 VanDerWaalsContact CD-C 3.43Å; R2064-S2110 WeakPolarHBondContact CD-O 3.4Å; R2064-L2111 HydrophobicContact CB-CB 4.25Å; R2064-L2111 HydrophobicContact CB-CD1 3.84Å; R2064-L2111 HydrophobicContact CG-CB 4.46Å; R2064-L2111 HydrophobicContact CG-CD1 4.39Å; R2064-C2114 HydrophobicContact CG-CB 4.28Å |
| 2065 | C | 89.9 | Confident | 88.7 | Confident | 23.6667 Ų | 23.6667 | 29.1 Ų | 29.1 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 177.4 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | M1987 H2061 I2062 A2068 M2069 | M1987-C2065 HydrophobicContact CE-CB 3.48Å; H2061-C2065 PolarHBondContact O-N 3.32Å; H2061-C2065 PolarHBondContact O-SG 3.38Å; H2061-C2065 VanDerWaalsContact O-SG 3.35Å; I2062-C2065 WeakPolarHBondContact O-CB 3.18Å; I2062-C2065 PolarHBondContact O-N 3.04Å; I2062-C2065 VanDerWaalsContact O-N 3.13Å; C2065-A2068 PolarHBondContact O-N 3.23Å; C2065-M2069 WeakPolarHBondContact O-CG 3.39Å; C2065-M2069 PolarHBondContact O-N 3.16Å |
| 2066 | Q | 90.3 | Very high | 88.6 | Confident | 0.666667 Ų | 0.666667 | 33 Ų | 33 | 0% | 0.003 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 173 | -67.1 | -179.2 | -28.9 | 0 | 0 | 112.4 | M1987 L1995 N2004 I2062 L2063 R2064 A2068 M2069 N2070 C2073 | M1987-Q2066 HydrophobicContact CE-CB 4.33Å; M1987-Q2066 HydrophobicContact CE-CG 4.1Å; M1987-Q2066 HydrophobicContact SD-CG 3.79Å; L1995-Q2066 HydrophobicContact CD2-CB 3.99Å; L1995-Q2066 HydrophobicContact CD2-CG 3.69Å; N2004-Q2066 PolarHBondContact ND2-OE1 3.12Å; N2004-Q2066 PolarHBondContact OD1-NE2 3.34Å; N2004-Q2066 PolarHBondContact OD1-OE1 3.12Å; N2004-Q2066 VanDerWaalsContact OD1-OE1 3.11Å; I2062-Q2066 HydrophobicContact CG1-CG 4.41Å; I2062-Q2066 WeakPolarHBondContact O-CG 3.38Å; I2062-Q2066 PolarHBondContact O-N 3Å; L2063-Q2066 PolarHBondContact O-N 3.42Å; R2064-Q2066 VanDerWaalsContact C-N 3.32Å; R2064-Q2066 PolarHBondContact O-N 3.27Å; Q2066-A2068 VanDerWaalsContact C-N 3.28Å; Q2066-A2068 PolarHBondContact O-N 2.85Å; Q2066-M2069 PolarHBondContact O-N 3.19Å; Q2066-N2070 PolarHBondContact O-N 2.85Å; Q2066-C2073 HydrophobicContact CB-CB 4.38Å |
| 2067 | A | 88.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2063 R2064 R2074 L2077 L2115 | L2063-A2067 VanDerWaalsContact O-CB 3.32Å; L2063-A2067 WeakPolarHBondContact O-CB 3.23Å; L2063-A2067 PolarHBondContact O-N 3.07Å; R2064-A2067 PolarHBondContact O-N 3.31Å; A2067-R2074 HydrophobicContact CB-CB 4.32Å; A2067-L2077 HydrophobicContact CB-CD1 3.77Å; A2067-L2115 HydrophobicContact CB-CD2 4.12Å |
| 2068 | A | 86.8 | Confident | 88.2 | Confident | 53.3333 Ų | 53.3333 | 33 Ų | 33 | 44% | 0.441 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -72 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R2064 C2065 Q2066 | R2064-A2068 WeakPolarHBondContact O-CB 3.44Å; R2064-A2068 PolarHBondContact O-N 2.91Å; C2065-A2068 PolarHBondContact O-N 3.23Å; Q2066-A2068 VanDerWaalsContact C-N 3.28Å; Q2066-A2068 PolarHBondContact O-N 2.85Å |
| 2069 | M | 83.4 | Confident | 88 | Confident | 92.6667 Ų | 92.6667 | 35.3 Ų | 35.3 | 46% | 0.456 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -90.6 | -31.8 | -176.3 | -68.4 | 178.3 | 173.8 | 0 | 0 | 114 | M1987 P1991 L1995 C2065 Q2066 | M1987-M2069 HydrophobicContact CE-SD 4.08Å; M1987-M2069 HydrophobicContact CG-CE 4.42Å; M1987-M2069 HydrophobicContact CG-SD 3.79Å; M1987-M2069 HydrophobicContact SD-SD 4.14Å; P1991-M2069 HydrophobicContact CB-CE 4.49Å; P1991-M2069 HydrophobicContact CB-SD 4.08Å; L1995-M2069 HydrophobicContact CD1-CB 4.08Å; L1995-M2069 HydrophobicContact CD1-SD 4.48Å; C2065-M2069 WeakPolarHBondContact O-CG 3.39Å; C2065-M2069 PolarHBondContact O-N 3.16Å; Q2066-M2069 PolarHBondContact O-N 3.19Å |
| 2070 | N | 84.1 | Confident | 87.8 | Confident | 48.3333 Ų | 48.3333 | 37.7 Ų | 37.7 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | trans | -130.2 | 122.7 | -173.3 | -174.3 | -16.7 | 0 | 0 | 0 | 112.3 | L1995 Q2066 E2072 C2073 R2074 | L1995-N2070 HydrophobicContact CD1-CB 4.16Å; Q2066-N2070 PolarHBondContact O-N 2.85Å; N2070-E2072 PolarHBondContact O-N 3.07Å; N2070-E2072 WeakPolarHBondContact OD1-CB 3.28Å; N2070-E2072 PolarHBondContact OD1-N 3.34Å; N2070-C2073 HydrophobicContact CB-CB 4.14Å; N2070-C2073 PolarHBondContact O-N 3.27Å; N2070-R2074 PolarHBondContact O-N 3.25Å; N2070-R2074 VanDerWaalsContact O-N 3.13Å | ||
| 2071 | E | 83.3 | Confident | 87.6 | Confident | 106.667 Ų | 106.667 | 40.3 Ų | 40.3 | 50% | 0.498 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 178.2 | 178.2 | 157.8 | -136.1 | 0 | 0 | 113.2 | C2073 R2074 M2075 | E2071-C2073 VanDerWaalsContact C-N 3.34Å; E2071-C2073 PolarHBondContact O-N 3.1Å; E2071-R2074 WeakPolarHBondContact O-CB 3.26Å; E2071-R2074 PolarHBondContact O-N 3.19Å; E2071-R2074 IonicContact OE1-NH2 2.86Å; E2071-R2074 PolarHBondContact OE1-NH2 3.15Å; E2071-R2074 VanDerWaalsContact OE1-NH2 3.07Å; E2071-M2075 HydrophobicContact CG-CG 4.48Å; E2071-M2075 WeakPolarHBondContact O-CG 3.4Å; E2071-M2075 PolarHBondContact O-N 3.06Å |
| 2072 | E | 84.4 | Confident | 87.4 | Confident | 86.3333 Ų | 86.3333 | 44 Ų | 44 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 178 | -171.3 | -171.3 | 177.1 | 0 | 0 | 111.2 | K1999 N2070 R2074 M2075 N2076 | K1999-E2072 WeakPolarHBondContact CE-OE1 3.34Å; K1999-E2072 IonicContact NZ-OE1 3.4Å; K1999-E2072 PolarHBondContact NZ-OE1 3.19Å; K1999-E2072 IonicContact NZ-OE2 3.37Å; K1999-E2072 PolarHBondContact NZ-OE2 3.22Å; N2070-E2072 PolarHBondContact O-N 3.07Å; N2070-E2072 WeakPolarHBondContact OD1-CB 3.28Å; N2070-E2072 PolarHBondContact OD1-N 3.34Å; E2072-R2074 VanDerWaalsContact C-N 3.3Å; E2072-R2074 PolarHBondContact O-N 3.26Å; E2072-M2075 PolarHBondContact O-N 3.23Å; E2072-N2076 VanDerWaalsContact O-CG 3.29Å; E2072-N2076 PolarHBondContact O-N 3.16Å; E2072-N2076 PolarHBondContact O-ND2 3.21Å |
| 2073 | C | 84.7 | Confident | 87.4 | Confident | 9.33333 Ų | 9.33333 | 44.1 Ų | 44.1 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.9 | -98.6 | 0 | 0 | 0 | 0 | 111.2 | Q2066 N2070 E2071 N2076 L2077 | Q2066-C2073 HydrophobicContact CB-CB 4.38Å; N2070-C2073 HydrophobicContact CB-CB 4.14Å; N2070-C2073 PolarHBondContact O-N 3.27Å; E2071-C2073 VanDerWaalsContact C-N 3.34Å; E2071-C2073 PolarHBondContact O-N 3.1Å; C2073-N2076 PolarHBondContact O-N 3.26Å; C2073-L2077 WeakPolarHBondContact O-CB 3.38Å; C2073-L2077 WeakPolarHBondContact O-CG 3.33Å; C2073-L2077 PolarHBondContact O-N 3.37Å |
| 2074 | R | 87.4 | Confident | 87.3 | Confident | 19.6667 Ų | 19.6667 | 44.4 Ų | 44.4 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.7 | -176.9 | 169.1 | 58 | 124.8 | 2.7 | 111.8 | A2067 N2070 E2071 E2072 L2077 I2078 L2115 Y2118 | A2067-R2074 HydrophobicContact CB-CB 4.32Å; N2070-R2074 PolarHBondContact O-N 3.25Å; N2070-R2074 VanDerWaalsContact O-N 3.13Å; E2071-R2074 WeakPolarHBondContact O-CB 3.26Å; E2071-R2074 PolarHBondContact O-N 3.19Å; E2071-R2074 IonicContact OE1-NH2 2.86Å; E2071-R2074 PolarHBondContact OE1-NH2 3.15Å; E2071-R2074 VanDerWaalsContact OE1-NH2 3.07Å; E2072-R2074 VanDerWaalsContact C-N 3.3Å; E2072-R2074 PolarHBondContact O-N 3.26Å; R2074-L2077 PolarHBondContact O-N 3.11Å; R2074-I2078 HydrophobicContact CG-CD1 3.89Å; R2074-I2078 WeakPolarHBondContact O-CB 3.43Å; R2074-I2078 VanDerWaalsContact O-CG1 3.24Å; R2074-I2078 WeakPolarHBondContact O-CG1 3.24Å; R2074-I2078 PolarHBondContact O-N 3.19Å; R2074-L2115 HydrophobicContact CG-CD2 3.95Å; R2074-Y2118 VanDerWaalsContact CZ-CB 3.42Å; R2074-Y2118 VanDerWaalsContact NH1-C 3.31Å; R2074-Y2118 PolarHBondContact NH1-O 3.18Å; R2074-Y2118 PolarHBondContact NH2-O 3.25Å |
| 2075 | M | 84.8 | Confident | 87.1 | Confident | 49.6667 Ų | 49.6667 | 44.7 Ų | 44.7 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.8 | -70.2 | -55.9 | -63.2 | 0 | 0 | 112.6 | E2071 E2072 I2078 S2079 T2124 L2127 | E2071-M2075 HydrophobicContact CG-CG 4.48Å; E2071-M2075 WeakPolarHBondContact O-CG 3.4Å; E2071-M2075 PolarHBondContact O-N 3.06Å; E2072-M2075 PolarHBondContact O-N 3.23Å; M2075-I2078 PolarHBondContact O-N 3.03Å; M2075-S2079 WeakPolarHBondContact O-CB 3.26Å; M2075-S2079 PolarHBondContact O-N 3.33Å; M2075-S2079 PolarHBondContact O-OG 3Å; M2075-T2124 HydrophobicContact CE-CG2 3.62Å; M2075-T2124 HydrophobicContact SD-CG2 3.29Å; M2075-T2124 WeakPolarHBondContact SD-CG2 3.29Å; M2075-L2127 HydrophobicContact CE-CD1 4.49Å |
| 2076 | N | 86.9 | Confident | 87.1 | Confident | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 176.3 | -68.8 | -20 | 0 | 0 | 0 | 111.5 | E2072 C2073 I2078 S2079 D2080 | E2072-N2076 VanDerWaalsContact O-CG 3.29Å; E2072-N2076 PolarHBondContact O-N 3.16Å; E2072-N2076 PolarHBondContact O-ND2 3.21Å; C2073-N2076 PolarHBondContact O-N 3.26Å; N2076-I2078 PolarHBondContact O-N 3.32Å; N2076-S2079 WeakPolarHBondContact CA-OG 3.29Å; N2076-S2079 PolarHBondContact O-N 3.4Å; N2076-S2079 PolarHBondContact O-OG 3.14Å; N2076-S2079 VanDerWaalsContact O-OG 3.04Å; N2076-D2080 PolarHBondContact O-N 3.08Å; N2076-D2080 VanDerWaalsContact O-N 3.15Å |
| 2077 | L | 88 | Confident | 87.1 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 176.6 | -72.8 | 166.8 | 0 | 0 | 0 | 113 | M2008 L2063 A2067 C2073 R2074 S2079 F2083 L2115 | M2008-L2077 HydrophobicContact CE-CD2 3.33Å; M2008-L2077 HydrophobicContact CE-CG 4.12Å; M2008-L2077 HydrophobicContact CG-CD2 4.42Å; M2008-L2077 HydrophobicContact SD-CD2 3.76Å; M2008-L2077 WeakPolarHBondContact SD-CD2 3.43Å; L2063-L2077 HydrophobicContact CB-CD1 4.42Å; L2063-L2077 HydrophobicContact CD1-CD2 4.48Å; L2063-L2077 HydrophobicContact CD2-CD2 4.37Å; A2067-L2077 HydrophobicContact CB-CD1 3.77Å; C2073-L2077 WeakPolarHBondContact O-CB 3.38Å; C2073-L2077 WeakPolarHBondContact O-CG 3.33Å; C2073-L2077 PolarHBondContact O-N 3.37Å; R2074-L2077 PolarHBondContact O-N 3.11Å; L2077-S2079 VanDerWaalsContact C-N 3.33Å; L2077-F2083 HydrophobicContact CD2-CD1 4.04Å; L2077-F2083 HydrophobicContact CD2-CE1 3.65Å; L2077-F2083 HydrophobicContact CD2-CZ 4.17Å; L2077-L2115 HydrophobicContact CB-CD2 4.23Å |
| 2078 | I | 86.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -34 | 177.3 | -69.9 | 167.3 | 0 | 0 | 0 | 111.2 | R2074 M2075 N2076 L2084 L2115 L2127 N2128 L2131 | R2074-I2078 HydrophobicContact CG-CD1 3.89Å; R2074-I2078 WeakPolarHBondContact O-CB 3.43Å; R2074-I2078 VanDerWaalsContact O-CG1 3.24Å; R2074-I2078 WeakPolarHBondContact O-CG1 3.24Å; R2074-I2078 PolarHBondContact O-N 3.19Å; M2075-I2078 PolarHBondContact O-N 3.03Å; N2076-I2078 PolarHBondContact O-N 3.32Å; I2078-L2084 WeakPolarHBondContact O-CD1 3.38Å; I2078-L2115 HydrophobicContact CD1-CB 4.43Å; I2078-L2115 HydrophobicContact CD1-CD2 4.48Å; I2078-L2115 HydrophobicContact CG1-CB 4.22Å; I2078-L2115 HydrophobicContact CG1-CD1 4.39Å; I2078-L2115 HydrophobicContact CG1-CD2 4.06Å; I2078-L2115 HydrophobicContact CG1-CG 4.4Å; I2078-L2127 HydrophobicContact CG2-CB 3.67Å; I2078-L2127 HydrophobicContact CG2-CD1 4.09Å; I2078-L2127 HydrophobicContact CG2-CG 4.48Å; I2078-N2128 WeakPolarHBondContact CG2-OD1 3.29Å; I2078-L2131 WeakPolarHBondContact O-CD1 3.39Å |
| 2079 | S | 86.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 46% | 0.462 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.1 | -23.1 | -178.7 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | M2075 N2076 L2077 S2081 | M2075-S2079 WeakPolarHBondContact O-CB 3.26Å; M2075-S2079 PolarHBondContact O-N 3.33Å; M2075-S2079 PolarHBondContact O-OG 3Å; N2076-S2079 WeakPolarHBondContact CA-OG 3.29Å; N2076-S2079 PolarHBondContact O-N 3.4Å; N2076-S2079 PolarHBondContact O-OG 3.14Å; N2076-S2079 VanDerWaalsContact O-OG 3.04Å; L2077-S2079 VanDerWaalsContact C-N 3.33Å; S2079-S2081 PolarHBondContact O-N 3.17Å |
| 2080 | D | 88.4 | Confident | 87.4 | Confident | 49.3333 Ų | 49.3333 | 43.9 Ų | 43.9 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | trans | -76.1 | 93.9 | 178.7 | -166.7 | -27.6 | 0 | 0 | 0 | 112.3 | N2076 L2082 F2083 L2084 | N2076-D2080 PolarHBondContact O-N 3.08Å; N2076-D2080 VanDerWaalsContact O-N 3.15Å; D2080-L2082 VanDerWaalsContact C-N 3.3Å; D2080-L2082 PolarHBondContact O-N 3.07Å; D2080-L2082 PolarHBondContact OD1-N 2.97Å; D2080-F2083 HydrophobicContact CB-CB 4.07Å; D2080-F2083 PolarHBondContact OD1-N 3.26Å; D2080-L2084 WeakPolarHBondContact O-CG 3.36Å; D2080-L2084 PolarHBondContact O-N 3.31Å | ||
| 2081 | S | 87.6 | Confident | 87.6 | Confident | 55.3333 Ų | 55.3333 | 41.6 Ų | 41.6 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -30.9 | 178 | 67 | 0 | 0 | 0 | 0 | 114.1 | S2079 T2085 | S2079-S2081 PolarHBondContact O-N 3.17Å; S2081-T2085 VanDerWaalsContact O-CB 3.26Å; S2081-T2085 WeakPolarHBondContact O-CB 3.3Å; S2081-T2085 PolarHBondContact O-N 3.02Å; S2081-T2085 PolarHBondContact O-OG1 3.11Å |
| 2082 | L | 88.5 | Confident | 87.6 | Confident | 119 Ų | 119 | 39.4 Ų | 39.4 | 62% | 0.623 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -74.5 | -46.5 | -176.7 | -70.5 | 174.8 | 0 | 0 | 0 | 110.3 | D2080 T2085 R2086 | D2080-L2082 VanDerWaalsContact C-N 3.3Å; D2080-L2082 PolarHBondContact O-N 3.07Å; D2080-L2082 PolarHBondContact OD1-N 2.97Å; L2082-T2085 PolarHBondContact O-N 3.22Å; L2082-R2086 VanDerWaalsContact O-CG 3.28Å; L2082-R2086 WeakPolarHBondContact O-CG 3.34Å; L2082-R2086 PolarHBondContact O-N 3.1Å |
| 2083 | F | 91.3 | Very high | 87.5 | Confident | 3.33333 Ų | 3.33333 | 35.8 Ų | 35.8 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -49 | 176 | 170.2 | -107 | 0 | 0 | 0 | 111.8 | M2008 I2011 L2063 L2077 D2080 T2085 R2086 I2087 L2111 | M2008-F2083 HydrophobicContact CB-CB 4.39Å; M2008-F2083 HydrophobicContact CB-CD2 3.63Å; M2008-F2083 HydrophobicContact CB-CE2 4.2Å; M2008-F2083 HydrophobicContact CB-CG 4.2Å; M2008-F2083 HydrophobicContact CG-CB 4.44Å; M2008-F2083 HydrophobicContact CG-CD1 4.49Å; M2008-F2083 HydrophobicContact CG-CD2 3.58Å; M2008-F2083 HydrophobicContact CG-CE2 3.83Å; M2008-F2083 HydrophobicContact CG-CG 3.97Å; M2008-F2083 HydrophobicContact CG-CZ 4.39Å; M2008-F2083 HydrophobicContact SD-CB 4.16Å; M2008-F2083 HydrophobicContact SD-CD1 4.3Å; M2008-F2083 HydrophobicContact SD-CD2 4.21Å; M2008-F2083 HydrophobicContact SD-CG 3.96Å; I2011-F2083 HydrophobicContact CD1-CE2 3.9Å; L2063-F2083 HydrophobicContact CD1-CE2 3.78Å; L2063-F2083 HydrophobicContact CD1-CZ 3.71Å; L2077-F2083 HydrophobicContact CD2-CD1 4.04Å; L2077-F2083 HydrophobicContact CD2-CE1 3.65Å; L2077-F2083 HydrophobicContact CD2-CZ 4.17Å; D2080-F2083 HydrophobicContact CB-CB 4.07Å; D2080-F2083 PolarHBondContact OD1-N 3.26Å; F2083-T2085 VanDerWaalsContact C-N 3.31Å; F2083-T2085 PolarHBondContact O-N 3.15Å; F2083-R2086 WeakPolarHBondContact O-CB 3.26Å; F2083-R2086 PolarHBondContact O-N 3.34Å; F2083-R2086 VanDerWaalsContact O-N 3.16Å; F2083-I2087 HydrophobicContact CD1-CD1 4.36Å; F2083-I2087 HydrophobicContact CD2-CD1 4.16Å; F2083-I2087 HydrophobicContact CD2-CG2 4.29Å; F2083-I2087 HydrophobicContact CE1-CD1 3.84Å; F2083-I2087 HydrophobicContact CE2-CD1 3.43Å; F2083-I2087 VanDerWaalsContact CE2-CD1 3.43Å; F2083-I2087 HydrophobicContact CE2-CG1 4.19Å; F2083-I2087 HydrophobicContact CE2-CG2 3.75Å; F2083-I2087 HydrophobicContact CZ-CD1 3.56Å; F2083-I2087 HydrophobicContact CZ-CG1 4.3Å; F2083-I2087 HydrophobicContact CZ-CG2 3.93Å; F2083-I2087 PolarHBondContact O-N 3.22Å; F2083-L2111 HydrophobicContact CE1-CD2 3.99Å; F2083-L2111 HydrophobicContact CZ-CD2 3.84Å |
| 2084 | L | 90 | Very high | 87.1 | Confident | 4.66667 Ų | 4.66667 | 38.6 Ų | 38.6 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.9 | -70.6 | 176.2 | 0 | 0 | 0 | 111.9 | I2078 D2080 I2087 I2088 L2115 L2131 I2132 | I2078-L2084 WeakPolarHBondContact O-CD1 3.38Å; D2080-L2084 WeakPolarHBondContact O-CG 3.36Å; D2080-L2084 PolarHBondContact O-N 3.31Å; L2084-I2087 HydrophobicContact CD2-CD1 3.93Å; L2084-I2087 WeakPolarHBondContact O-CG1 3.49Å; L2084-I2087 PolarHBondContact O-N 2.96Å; L2084-I2088 WeakPolarHBondContact O-CB 3.41Å; L2084-I2088 VanDerWaalsContact O-CG1 3.23Å; L2084-I2088 WeakPolarHBondContact O-CG1 3.42Å; L2084-I2088 PolarHBondContact O-N 3.16Å; L2084-L2115 HydrophobicContact CD2-CD1 4.03Å; L2084-L2131 HydrophobicContact CD1-CB 3.83Å; L2084-I2132 HydrophobicContact CD1-CD1 4.4Å; L2084-I2132 HydrophobicContact CD1-CG1 3.9Å; L2084-I2132 HydrophobicContact CD2-CD1 4.46Å; L2084-I2132 HydrophobicContact CD2-CG1 4.29Å |
| 2085 | T | 88.2 | Confident | 86.5 | Confident | 64.6667 Ų | 64.6667 | 40 Ų | 40 | 40% | 0.397 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.3 | S2081 L2082 F2083 I2087 I2088 I2089 | S2081-T2085 VanDerWaalsContact O-CB 3.26Å; S2081-T2085 WeakPolarHBondContact O-CB 3.3Å; S2081-T2085 PolarHBondContact O-N 3.02Å; S2081-T2085 PolarHBondContact O-OG1 3.11Å; L2082-T2085 PolarHBondContact O-N 3.22Å; F2083-T2085 VanDerWaalsContact C-N 3.31Å; F2083-T2085 PolarHBondContact O-N 3.15Å; T2085-I2087 PolarHBondContact O-N 3.32Å; T2085-I2088 PolarHBondContact O-N 3.44Å; T2085-I2089 HydrophobicContact CG2-CD1 3.73Å; T2085-I2089 HydrophobicContact CG2-CG1 4.32Å; T2085-I2089 WeakPolarHBondContact O-CB 3.36Å; T2085-I2089 VanDerWaalsContact O-CG1 3.24Å; T2085-I2089 WeakPolarHBondContact O-CG1 3.32Å; T2085-I2089 PolarHBondContact O-N 3.08Å |
| 2086 | R | 89.5 | Confident | 85.9 | Confident | 72.6667 Ų | 72.6667 | 41.8 Ų | 41.8 | 27% | 0.274 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.1 | -73.9 | 167.9 | 180 | -120.3 | 2.6 | 111.8 | N2009 I2011 P2013 L2082 F2083 I2088 I2089 I2090 | N2009-R2086 PolarHBondContact O-NH1 3.35Å; N2009-R2086 VanDerWaalsContact O-NH1 3.14Å; I2011-R2086 WeakPolarHBondContact O-CD 3.42Å; I2011-R2086 PolarHBondContact O-NH1 3.29Å; I2011-R2086 VanDerWaalsContact O-NH1 3.07Å; P2013-R2086 HydrophobicContact CG-CB 4.44Å; P2013-R2086 HydrophobicContact CG-CG 4.44Å; L2082-R2086 VanDerWaalsContact O-CG 3.28Å; L2082-R2086 WeakPolarHBondContact O-CG 3.34Å; L2082-R2086 PolarHBondContact O-N 3.1Å; F2083-R2086 WeakPolarHBondContact O-CB 3.26Å; F2083-R2086 PolarHBondContact O-N 3.34Å; F2083-R2086 VanDerWaalsContact O-N 3.16Å; R2086-I2088 PolarHBondContact O-N 3.45Å; R2086-I2089 PolarHBondContact O-N 3.01Å; R2086-I2090 WeakPolarHBondContact O-CG1 3.33Å; R2086-I2090 PolarHBondContact O-N 3.16Å |
| 2087 | I | 91.2 | Very high | 85.2 | Confident | 2.33333 Ų | 2.33333 | 39.6 Ų | 39.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 179.2 | -46.4 | 180 | 0 | 0 | 0 | 112.1 | I2060 F2083 L2084 T2085 I2089 I2090 I2108 L2111 I2112 | I2060-I2087 HydrophobicContact CD1-CD1 4.08Å; I2060-I2087 HydrophobicContact CD1-CG1 4.32Å; I2060-I2087 HydrophobicContact CD1-CG2 4.18Å; I2060-I2087 HydrophobicContact CG1-CD1 4.26Å; F2083-I2087 HydrophobicContact CD1-CD1 4.36Å; F2083-I2087 HydrophobicContact CD2-CD1 4.16Å; F2083-I2087 HydrophobicContact CD2-CG2 4.29Å; F2083-I2087 HydrophobicContact CE1-CD1 3.84Å; F2083-I2087 HydrophobicContact CE2-CD1 3.43Å; F2083-I2087 VanDerWaalsContact CE2-CD1 3.43Å; F2083-I2087 HydrophobicContact CE2-CG1 4.19Å; F2083-I2087 HydrophobicContact CE2-CG2 3.75Å; F2083-I2087 HydrophobicContact CZ-CD1 3.56Å; F2083-I2087 HydrophobicContact CZ-CG1 4.3Å; F2083-I2087 HydrophobicContact CZ-CG2 3.93Å; F2083-I2087 PolarHBondContact O-N 3.22Å; L2084-I2087 HydrophobicContact CD2-CD1 3.93Å; L2084-I2087 WeakPolarHBondContact O-CG1 3.49Å; L2084-I2087 PolarHBondContact O-N 2.96Å; T2085-I2087 PolarHBondContact O-N 3.32Å; I2087-I2089 VanDerWaalsContact C-N 3.33Å; I2087-I2089 PolarHBondContact O-N 2.89Å; I2087-I2090 WeakPolarHBondContact O-CB 3.35Å; I2087-I2090 PolarHBondContact O-N 3.22Å; I2087-I2108 HydrophobicContact CB-CG1 4.47Å; I2087-I2108 HydrophobicContact CB-CG2 4.48Å; I2087-I2108 HydrophobicContact CG2-CB 4.14Å; I2087-I2108 HydrophobicContact CG2-CD1 4.09Å; I2087-I2108 HydrophobicContact CG2-CG1 3.79Å; I2087-I2108 HydrophobicContact CG2-CG2 3.4Å; I2087-I2108 VanDerWaalsContact CG2-CG2 3.43Å; I2087-L2111 HydrophobicContact CD1-CD2 3.96Å; I2087-I2112 HydrophobicContact CD1-CG1 4.37Å |
| 2088 | I | 89.2 | Confident | 84.7 | Confident | 7.66667 Ų | 7.66667 | 39.7 Ų | 39.7 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.4 | -35.8 | 178.8 | -67.7 | 170.9 | 0 | 0 | 0 | 110.8 | L2084 T2085 R2086 I2090 L2091 P2135 L2136 V2139 | L2084-I2088 WeakPolarHBondContact O-CB 3.41Å; L2084-I2088 VanDerWaalsContact O-CG1 3.23Å; L2084-I2088 WeakPolarHBondContact O-CG1 3.42Å; L2084-I2088 PolarHBondContact O-N 3.16Å; T2085-I2088 PolarHBondContact O-N 3.44Å; R2086-I2088 PolarHBondContact O-N 3.45Å; I2088-I2090 VanDerWaalsContact C-N 3.27Å; I2088-I2090 PolarHBondContact O-N 3.12Å; I2088-L2091 VanDerWaalsContact O-CB 3.31Å; I2088-L2091 WeakPolarHBondContact O-CB 3.38Å; I2088-L2091 PolarHBondContact O-N 3.18Å; I2088-L2091 VanDerWaalsContact O-N 3.12Å; I2088-P2135 HydrophobicContact CD1-CB 3.8Å; I2088-P2135 HydrophobicContact CD1-CG 4.49Å; I2088-P2135 HydrophobicContact CG2-CB 4.27Å; I2088-L2136 HydrophobicContact CD1-CG 4.27Å; I2088-L2136 HydrophobicContact CG1-CD2 4.39Å; I2088-L2136 HydrophobicContact CG2-CD2 4.43Å; I2088-V2139 HydrophobicContact CG2-CB 4.46Å; I2088-V2139 HydrophobicContact CG2-CG1 4.28Å; I2088-V2139 HydrophobicContact CG2-CG2 3.77Å |
| 2089 | I | 88.2 | Confident | 84.1 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -33 | 174.1 | -70.8 | 167.3 | 0 | 0 | 0 | 111.5 | P2013 T2085 R2086 I2087 L2091 T2092 | P2013-I2089 HydrophobicContact CB-CB 4.36Å; P2013-I2089 HydrophobicContact CB-CG2 3.79Å; P2013-I2089 HydrophobicContact CG-CB 4.45Å; P2013-I2089 HydrophobicContact CG-CG2 4.11Å; T2085-I2089 HydrophobicContact CG2-CD1 3.73Å; T2085-I2089 HydrophobicContact CG2-CG1 4.32Å; T2085-I2089 WeakPolarHBondContact O-CB 3.36Å; T2085-I2089 VanDerWaalsContact O-CG1 3.24Å; T2085-I2089 WeakPolarHBondContact O-CG1 3.32Å; T2085-I2089 PolarHBondContact O-N 3.08Å; R2086-I2089 PolarHBondContact O-N 3.01Å; I2087-I2089 VanDerWaalsContact C-N 3.33Å; I2087-I2089 PolarHBondContact O-N 2.89Å; I2089-L2091 PolarHBondContact O-N 3.09Å; I2089-L2091 VanDerWaalsContact O-N 3.12Å; I2089-T2092 VanDerWaalsContact O-CB 3.32Å; I2089-T2092 WeakPolarHBondContact O-CB 3.36Å; I2089-T2092 WeakPolarHBondContact O-CG2 3.47Å; I2089-T2092 PolarHBondContact O-N 3.21Å; I2089-T2092 PolarHBondContact O-OG1 3.19Å |
| 2090 | I | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.6 | -26.4 | 176.2 | -67 | 170.3 | 0 | 0 | 0 | 111.8 | I2011 P2013 L2016 R2086 I2087 I2088 T2092 I2093 M2101 L2104 W2105 I2108 | I2011-I2090 HydrophobicContact CG2-CD1 3.7Å; P2013-I2090 HydrophobicContact CB-CG1 4.03Å; L2016-I2090 HydrophobicContact CD2-CD1 4.45Å; L2016-I2090 HydrophobicContact CD2-CG1 4.32Å; L2016-I2090 HydrophobicContact CD2-CG2 4.1Å; R2086-I2090 WeakPolarHBondContact O-CG1 3.33Å; R2086-I2090 PolarHBondContact O-N 3.16Å; I2087-I2090 WeakPolarHBondContact O-CB 3.35Å; I2087-I2090 PolarHBondContact O-N 3.22Å; I2088-I2090 VanDerWaalsContact C-N 3.27Å; I2088-I2090 PolarHBondContact O-N 3.12Å; I2090-T2092 PolarHBondContact O-N 3.32Å; I2090-I2093 HydrophobicContact CG2-CD1 4.12Å; I2090-I2093 WeakPolarHBondContact O-CB 3.38Å; I2090-I2093 WeakPolarHBondContact O-CG1 3.24Å; I2090-I2093 PolarHBondContact O-N 3.21Å; I2090-M2101 HydrophobicContact CG2-CE 3.74Å; I2090-L2104 HydrophobicContact CG2-CD2 3.88Å; I2090-L2104 HydrophobicContact CG2-CG 4.43Å; I2090-W2105 PolarHBondContact O-NE1 3.27Å; I2090-I2108 HydrophobicContact CB-CD1 4.05Å; I2090-I2108 HydrophobicContact CD1-CD1 4.37Å; I2090-I2108 HydrophobicContact CG2-CD1 3.7Å |
| 2091 | L | 86.7 | Confident | 83.6 | Confident | 0.333333 Ų | 0.333333 | 41.3 Ų | 41.3 | 0% | 0.002 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -10.6 | 175 | -55.8 | 178.8 | 0 | 0 | 0 | 113.3 | I2088 I2089 I2093 W2105 I2108 F2109 L2136 V2139 N2142 F2143 I2146 | I2088-L2091 VanDerWaalsContact O-CB 3.31Å; I2088-L2091 WeakPolarHBondContact O-CB 3.38Å; I2088-L2091 PolarHBondContact O-N 3.18Å; I2088-L2091 VanDerWaalsContact O-N 3.12Å; I2089-L2091 PolarHBondContact O-N 3.09Å; I2089-L2091 VanDerWaalsContact O-N 3.12Å; L2091-I2093 VanDerWaalsContact C-N 3.32Å; L2091-W2105 HydrophobicContact CD2-CG 4.44Å; L2091-I2108 HydrophobicContact CD2-CG2 4.2Å; L2091-I2108 HydrophobicContact CG-CG2 4.49Å; L2091-F2109 HydrophobicContact CD1-CE1 4.19Å; L2091-F2109 HydrophobicContact CD2-CD1 4.39Å; L2091-F2109 HydrophobicContact CD2-CE1 3.55Å; L2091-F2109 HydrophobicContact CD2-CZ 4.14Å; L2091-F2109 HydrophobicContact CG-CE1 4.49Å; L2091-L2136 HydrophobicContact CD1-CD2 3.92Å; L2091-V2139 HydrophobicContact CB-CG1 3.82Å; L2091-V2139 HydrophobicContact CB-CG2 4.49Å; L2091-V2139 HydrophobicContact CD1-CG2 4.48Å; L2091-N2142 WeakPolarHBondContact O-CB 3.28Å; L2091-F2143 HydrophobicContact CD1-CD2 4.47Å; L2091-I2146 HydrophobicContact CD2-CD1 4.37Å |
| 2092 | T | 83.9 | Confident | 83.5 | Confident | 61.3333 Ų | 61.3333 | 38.8 Ų | 38.8 | 38% | 0.376 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.8 | 174 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | I2089 I2090 V2139 N2142 | I2089-T2092 VanDerWaalsContact O-CB 3.32Å; I2089-T2092 WeakPolarHBondContact O-CB 3.36Å; I2089-T2092 WeakPolarHBondContact O-CG2 3.47Å; I2089-T2092 PolarHBondContact O-N 3.21Å; I2089-T2092 PolarHBondContact O-OG1 3.19Å; I2090-T2092 PolarHBondContact O-N 3.32Å; T2092-V2139 HydrophobicContact CG2-CB 4.39Å; T2092-V2139 HydrophobicContact CG2-CG1 3.55Å; T2092-V2139 VanDerWaalsContact CG2-CG1 3.42Å; T2092-V2139 HydrophobicContact CG2-CG2 3.8Å; T2092-N2142 PolarHBondContact O-ND2 3.24Å; T2092-N2142 VanDerWaalsContact O-ND2 3.15Å |
| 2093 | I | 82.5 | Confident | 83.4 | Confident | 9.66667 Ų | 9.66667 | 35.3 Ų | 35.3 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -63.6 | 135.8 | 179.3 | -66.3 | 174.5 | 0 | 0 | 0 | 109.7 | L2016 I2020 I2090 L2091 Y2097 M2101 W2105 | L2016-I2093 HydrophobicContact CD2-CD1 3.54Å; L2016-I2093 VanDerWaalsContact CD2-CD1 3.48Å; L2016-I2093 HydrophobicContact CG-CD1 3.91Å; I2020-I2093 HydrophobicContact CD1-CD1 4.13Å; I2020-I2093 HydrophobicContact CD1-CG2 3.83Å; I2090-I2093 HydrophobicContact CG2-CD1 4.12Å; I2090-I2093 WeakPolarHBondContact O-CB 3.38Å; I2090-I2093 WeakPolarHBondContact O-CG1 3.24Å; I2090-I2093 PolarHBondContact O-N 3.21Å; L2091-I2093 VanDerWaalsContact C-N 3.32Å; I2093-Y2097 HydrophobicContact CG2-CD2 4.16Å; I2093-M2101 HydrophobicContact CB-CE 4.37Å; I2093-M2101 HydrophobicContact CD1-CE 3.57Å; I2093-M2101 VanDerWaalsContact CD1-CE 3.5Å; I2093-M2101 HydrophobicContact CD1-SD 4.38Å; I2093-M2101 HydrophobicContact CG1-CE 4.47Å; I2093-M2101 HydrophobicContact CG2-CE 4.32Å; I2093-M2101 HydrophobicContact CG2-CG 4.35Å; I2093-W2105 HydrophobicContact CB-CZ2 4.41Å; I2093-W2105 HydrophobicContact CG2-CZ2 4.49Å |
| 2094 | P | 76.2 | Confident | 83.3 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | trans | -57.7 | 143.8 | -176 | -25.1 | 33.3 | 0 | 0 | 0 | 113.9 | S2096 Y2097 | P2094-S2096 PolarHBondContact O-N 3.2Å; P2094-S2096 VanDerWaalsContact O-N 3.1Å; P2094-Y2097 HydrophobicContact CB-CD2 4.31Å; P2094-Y2097 HydrophobicContact CB-CE2 4.15Å; P2094-Y2097 HydrophobicContact CG-CE2 4.29Å; P2094-Y2097 VanDerWaalsContact O-CD2 3.3Å; P2094-Y2097 WeakPolarHBondContact O-CD2 3.42Å; P2094-Y2097 PolarHBondContact O-N 3.21Å | ||
| 2095 | I | 76 | Confident | 83.4 | Confident | 48.3333 Ų | 48.3333 | 34.9 Ų | 34.9 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -65.3 | -16.2 | -177.9 | -54 | 138.5 | 0 | 0 | 0 | 112.4 | Y2097 I2098 N2145 I2146 T2149 | I2095-Y2097 PolarHBondContact O-N 3.24Å; I2095-I2098 HydrophobicContact CG2-CB 4.43Å; I2095-I2098 HydrophobicContact CG2-CD1 3.93Å; I2095-I2098 HydrophobicContact CG2-CG1 3.68Å; I2095-I2098 VanDerWaalsContact O-CB 3.25Å; I2095-I2098 WeakPolarHBondContact O-CB 3.38Å; I2095-I2098 VanDerWaalsContact O-CD1 3.23Å; I2095-I2098 WeakPolarHBondContact O-CD1 3.37Å; I2095-I2098 WeakPolarHBondContact O-CG1 3.48Å; I2095-I2098 VanDerWaalsContact O-CG2 3.28Å; I2095-I2098 WeakPolarHBondContact O-CG2 3.46Å; I2095-I2098 PolarHBondContact O-N 3.27Å; I2095-N2145 HydrophobicContact CD1-CB 3.41Å; I2095-N2145 VanDerWaalsContact CD1-CB 3.43Å; I2095-N2145 HydrophobicContact CG1-CB 4.24Å; I2095-I2146 HydrophobicContact CG1-CG1 4.4Å; I2095-T2149 HydrophobicContact CG2-CG2 3.7Å; I2095-T2149 WeakPolarHBondContact CG2-OG1 3.36Å |
| 2096 | S | 71.9 | Confident | 83.5 | Confident | 87.6667 Ų | 87.6667 | 34 Ų | 34 | 61% | 0.613 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -54.5 | -20.7 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | P2094 | P2094-S2096 PolarHBondContact O-N 3.2Å; P2094-S2096 VanDerWaalsContact O-N 3.1Å |
| 2097 | Y | 72.3 | Confident | 83.6 | Confident | 36.6667 Ų | 36.6667 | 31.6 Ų | 31.6 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -103.8 | 19.4 | -178.7 | -50.5 | -74 | 0 | 0 | 0 | 114.3 | I2020 N2024 I2093 P2094 I2095 D2099 L2100 M2101 | I2020-Y2097 HydrophobicContact CG2-CD1 3.72Å; I2020-Y2097 HydrophobicContact CG2-CD2 3.71Å; I2020-Y2097 HydrophobicContact CG2-CE1 3.42Å; I2020-Y2097 VanDerWaalsContact CG2-CE1 3.44Å; I2020-Y2097 HydrophobicContact CG2-CE2 3.41Å; I2020-Y2097 VanDerWaalsContact CG2-CE2 3.46Å; I2020-Y2097 HydrophobicContact CG2-CG 3.84Å; N2024-Y2097 PolarHBondContact ND2-OH 3.28Å; N2024-Y2097 PolarHBondContact OD1-OH 2.9Å; I2093-Y2097 HydrophobicContact CG2-CD2 4.16Å; P2094-Y2097 HydrophobicContact CB-CD2 4.31Å; P2094-Y2097 HydrophobicContact CB-CE2 4.15Å; P2094-Y2097 HydrophobicContact CG-CE2 4.29Å; P2094-Y2097 VanDerWaalsContact O-CD2 3.3Å; P2094-Y2097 WeakPolarHBondContact O-CD2 3.42Å; P2094-Y2097 PolarHBondContact O-N 3.21Å; I2095-Y2097 PolarHBondContact O-N 3.24Å; Y2097-D2099 VanDerWaalsContact C-N 3.29Å; Y2097-D2099 PolarHBondContact O-N 3.25Å; Y2097-L2100 PolarHBondContact O-N 3.25Å; Y2097-L2100 VanDerWaalsContact O-N 3.1Å; Y2097-M2101 WeakPolarHBondContact O-CB 3.33Å; Y2097-M2101 WeakPolarHBondContact O-CG 3.47Å; Y2097-M2101 PolarHBondContact O-N 2.97Å |
| 2098 | I | 76 | Confident | 83.7 | Confident | 4.33333 Ų | 4.33333 | 31.5 Ų | 31.5 | 2% | 0.022 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52 | -41.2 | -174.5 | -146.9 | 156.9 | 0 | 0 | 0 | 113.7 | I2095 L2100 M2101 A2102 W2105 T2149 F2150 R2153 F2170 | I2095-I2098 HydrophobicContact CG2-CB 4.43Å; I2095-I2098 HydrophobicContact CG2-CD1 3.93Å; I2095-I2098 HydrophobicContact CG2-CG1 3.68Å; I2095-I2098 VanDerWaalsContact O-CB 3.25Å; I2095-I2098 WeakPolarHBondContact O-CB 3.38Å; I2095-I2098 VanDerWaalsContact O-CD1 3.23Å; I2095-I2098 WeakPolarHBondContact O-CD1 3.37Å; I2095-I2098 WeakPolarHBondContact O-CG1 3.48Å; I2095-I2098 VanDerWaalsContact O-CG2 3.28Å; I2095-I2098 WeakPolarHBondContact O-CG2 3.46Å; I2095-I2098 PolarHBondContact O-N 3.27Å; I2098-L2100 VanDerWaalsContact C-N 3.29Å; I2098-L2100 PolarHBondContact O-N 3.18Å; I2098-M2101 PolarHBondContact O-N 3.02Å; I2098-A2102 WeakPolarHBondContact O-CA 3.43Å; I2098-A2102 WeakPolarHBondContact O-CB 3.29Å; I2098-A2102 PolarHBondContact O-N 3.2Å; I2098-W2105 HydrophobicContact CB-CZ3 4.1Å; I2098-W2105 HydrophobicContact CD1-CZ3 4.46Å; I2098-W2105 HydrophobicContact CG1-CE3 4.47Å; I2098-W2105 HydrophobicContact CG1-CH2 4.35Å; I2098-W2105 HydrophobicContact CG1-CZ3 3.92Å; I2098-T2149 HydrophobicContact CD1-CG2 3.7Å; I2098-T2149 VanDerWaalsContact CD1-OG1 3.24Å; I2098-T2149 WeakPolarHBondContact CD1-OG1 3.47Å; I2098-F2150 HydrophobicContact CD1-CD1 3.56Å; I2098-F2150 VanDerWaalsContact CD1-CD1 3.47Å; I2098-F2150 HydrophobicContact CD1-CE1 3.66Å; I2098-F2150 HydrophobicContact CG1-CD1 4.02Å; I2098-F2150 HydrophobicContact CG1-CE1 3.63Å; I2098-F2150 HydrophobicContact CG2-CD1 4.12Å; I2098-F2150 HydrophobicContact CG2-CE1 3.87Å; I2098-R2153 VanDerWaalsContact CG2-NH1 3.28Å; I2098-F2170 HydrophobicContact CD1-CE1 4.37Å; I2098-F2170 HydrophobicContact CG1-CE1 4.03Å; I2098-F2170 HydrophobicContact CG2-CE1 3.52Å; I2098-F2170 HydrophobicContact CG2-CZ 4Å |
| 2099 | D | 73.9 | Confident | 83.9 | Confident | 93.6667 Ų | 93.6667 | 31.2 Ų | 31.2 | 50% | 0.501 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.2 | -34 | -178.9 | -69 | -59.9 | 0 | 0 | 0 | 112.8 | Y2097 R2153 F2170 | Y2097-D2099 VanDerWaalsContact C-N 3.29Å; Y2097-D2099 PolarHBondContact O-N 3.25Å; D2099-R2153 IonicContact OD1-CZ 3.28Å; D2099-R2153 IonicContact OD1-NH1 3.52Å; D2099-R2153 PolarHBondContact OD1-NH1 3.06Å; D2099-R2153 IonicContact OD1-NH2 3.42Å; D2099-R2153 IonicContact OD2-CZ 3.02Å; D2099-R2153 IonicContact OD2-NH1 3.45Å; D2099-R2153 PolarHBondContact OD2-NH1 3.04Å; D2099-R2153 IonicContact OD2-NH2 3.18Å; D2099-R2153 PolarHBondContact OD2-NH2 3.27Å; D2099-R2153 VanDerWaalsContact OD2-NH2 3.13Å; D2099-F2170 WeakPolarHBondContact OD1-CZ 3.34Å |
| 2100 | L | 78.1 | Confident | 84.1 | Confident | 55 Ų | 55 | 28.7 Ų | 28.7 | 29% | 0.288 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -83.3 | -41.9 | 177.5 | -80.8 | 162.8 | 0 | 0 | 0 | 111.4 | I2053 Y2097 I2098 P2103 | I2053-L2100 HydrophobicContact CD1-CB 4.01Å; I2053-L2100 HydrophobicContact CD1-CD2 3.58Å; I2053-L2100 HydrophobicContact CD1-CG 4.49Å; I2053-L2100 WeakPolarHBondContact CG2-O 3.29Å; Y2097-L2100 PolarHBondContact O-N 3.25Å; Y2097-L2100 VanDerWaalsContact O-N 3.1Å; I2098-L2100 VanDerWaalsContact C-N 3.29Å; I2098-L2100 PolarHBondContact O-N 3.18Å; L2100-P2103 WeakPolarHBondContact O-CD 3.25Å |
| 2101 | M | 85.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -83.4 | -18.6 | -172.7 | -70.2 | -64.9 | -69.2 | 0 | 0 | 114.4 | L2016 I2020 I2053 I2090 I2093 Y2097 I2098 P2103 L2104 W2105 | L2016-M2101 HydrophobicContact CD1-CE 4.09Å; L2016-M2101 HydrophobicContact CD1-SD 4.46Å; L2016-M2101 HydrophobicContact CD2-CE 3.94Å; L2016-M2101 HydrophobicContact CD2-SD 4.21Å; L2016-M2101 HydrophobicContact CG-CE 4.45Å; I2020-M2101 HydrophobicContact CD1-CE 3.54Å; I2020-M2101 HydrophobicContact CD1-SD 4.11Å; I2020-M2101 HydrophobicContact CG1-CE 4.2Å; I2053-M2101 HydrophobicContact CD1-CE 3.2Å; I2053-M2101 HydrophobicContact CD1-SD 3.8Å; I2053-M2101 HydrophobicContact CG1-CE 3.5Å; I2053-M2101 VanDerWaalsContact CG1-CE 3.5Å; I2053-M2101 HydrophobicContact CG1-SD 4.14Å; I2090-M2101 HydrophobicContact CG2-CE 3.74Å; I2093-M2101 HydrophobicContact CB-CE 4.37Å; I2093-M2101 HydrophobicContact CD1-CE 3.57Å; I2093-M2101 VanDerWaalsContact CD1-CE 3.5Å; I2093-M2101 HydrophobicContact CD1-SD 4.38Å; I2093-M2101 HydrophobicContact CG1-CE 4.47Å; I2093-M2101 HydrophobicContact CG2-CE 4.32Å; I2093-M2101 HydrophobicContact CG2-CG 4.35Å; Y2097-M2101 WeakPolarHBondContact O-CB 3.33Å; Y2097-M2101 WeakPolarHBondContact O-CG 3.47Å; Y2097-M2101 PolarHBondContact O-N 2.97Å; I2098-M2101 PolarHBondContact O-N 3.02Å; M2101-P2103 VanDerWaalsContact C-CD 3.49Å; M2101-L2104 HydrophobicContact CE-CD2 3.82Å; M2101-L2104 HydrophobicContact CE-CG 4.5Å; M2101-L2104 WeakPolarHBondContact O-CB 3.36Å; M2101-L2104 PolarHBondContact O-N 3.22Å; M2101-L2104 HydrophobicContact SD-CD2 4.35Å; M2101-W2105 HydrophobicContact CB-CD2 3.8Å; M2101-W2105 VanDerWaalsContact CB-CE2 3.49Å; M2101-W2105 HydrophobicContact CB-CE3 3.94Å; M2101-W2105 HydrophobicContact CB-CG 4.38Å; M2101-W2105 HydrophobicContact CB-CH2 3.8Å; M2101-W2105 HydrophobicContact CB-CZ2 3.64Å; M2101-W2105 HydrophobicContact CB-CZ3 3.95Å; M2101-W2105 HydrophobicContact CE-CZ2 4.28Å; M2101-W2105 HydrophobicContact CG-CH2 4.37Å; M2101-W2105 HydrophobicContact CG-CZ2 4.01Å; M2101-W2105 PolarHBondContact O-N 3.27Å |
| 2102 | A | 86.2 | Confident | 84.5 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.2 | -45.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I2098 L2104 W2105 Q2106 F2150 F2170 H2173 | I2098-A2102 WeakPolarHBondContact O-CA 3.43Å; I2098-A2102 WeakPolarHBondContact O-CB 3.29Å; I2098-A2102 PolarHBondContact O-N 3.2Å; A2102-L2104 VanDerWaalsContact C-N 3.32Å; A2102-L2104 PolarHBondContact O-N 2.99Å; A2102-W2105 PolarHBondContact O-N 3.23Å; A2102-Q2106 WeakPolarHBondContact O-CB 3.43Å; A2102-Q2106 PolarHBondContact O-N 3.27Å; A2102-F2150 HydrophobicContact CB-CE1 3.79Å; A2102-F2150 HydrophobicContact CB-CZ 4.02Å; A2102-F2170 HydrophobicContact CB-CE1 4.22Å; A2102-H2173 PolarHBondContact O-CD2 3.4Å; A2102-H2173 VanDerWaalsContact O-CD2 3.28Å |
| 2103 | P | 86.2 | Confident | 84.9 | Confident | 46 Ų | 46 | 26.7 Ų | 26.7 | 30% | 0.299 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 178.4 | -21.9 | 33.8 | 0 | 0 | 0 | 113 | L2100 M2101 Q2106 E2107 | L2100-P2103 WeakPolarHBondContact O-CD 3.25Å; M2101-P2103 VanDerWaalsContact C-CD 3.49Å; P2103-Q2106 PolarHBondContact O-N 3.49Å; P2103-E2107 PolarHBondContact O-N 3.09Å; P2103-E2107 VanDerWaalsContact O-N 3.15Å |
| 2104 | L | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.3 | -45.8 | 179 | 178.6 | 63.3 | 0 | 0 | 0 | 111.2 | L2016 I2053 A2057 I2060 I2090 M2101 A2102 Q2106 E2107 I2108 | L2016-L2104 HydrophobicContact CD2-CD2 3.8Å; I2053-L2104 HydrophobicContact CG2-CB 3.81Å; I2053-L2104 HydrophobicContact CG2-CD2 4.32Å; A2057-L2104 HydrophobicContact CB-CB 4.45Å; A2057-L2104 HydrophobicContact CB-CD1 4.25Å; I2060-L2104 HydrophobicContact CD1-CD1 3.71Å; I2090-L2104 HydrophobicContact CG2-CD2 3.88Å; I2090-L2104 HydrophobicContact CG2-CG 4.43Å; M2101-L2104 HydrophobicContact CE-CD2 3.82Å; M2101-L2104 HydrophobicContact CE-CG 4.5Å; M2101-L2104 WeakPolarHBondContact O-CB 3.36Å; M2101-L2104 PolarHBondContact O-N 3.22Å; M2101-L2104 HydrophobicContact SD-CD2 4.35Å; A2102-L2104 VanDerWaalsContact C-N 3.32Å; A2102-L2104 PolarHBondContact O-N 2.99Å; L2104-Q2106 VanDerWaalsContact C-N 3.29Å; L2104-Q2106 PolarHBondContact O-N 3.24Å; L2104-E2107 PolarHBondContact O-N 3.13Å; L2104-I2108 HydrophobicContact CD1-CD1 4.29Å; L2104-I2108 HydrophobicContact CD1-CG1 4.46Å; L2104-I2108 HydrophobicContact CG-CD1 4Å; L2104-I2108 VanDerWaalsContact O-CG1 3.27Å; L2104-I2108 WeakPolarHBondContact O-CG1 3.38Å; L2104-I2108 PolarHBondContact O-N 3.21Å |
| 2105 | W | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.2 | -68.4 | -26.2 | 0 | 0 | 0 | 111.9 | I2090 L2091 I2093 I2098 M2101 A2102 E2107 I2108 F2109 I2146 F2150 | I2090-W2105 PolarHBondContact O-NE1 3.27Å; L2091-W2105 HydrophobicContact CD2-CG 4.44Å; I2093-W2105 HydrophobicContact CB-CZ2 4.41Å; I2093-W2105 HydrophobicContact CG2-CZ2 4.49Å; I2098-W2105 HydrophobicContact CB-CZ3 4.1Å; I2098-W2105 HydrophobicContact CD1-CZ3 4.46Å; I2098-W2105 HydrophobicContact CG1-CE3 4.47Å; I2098-W2105 HydrophobicContact CG1-CH2 4.35Å; I2098-W2105 HydrophobicContact CG1-CZ3 3.92Å; M2101-W2105 HydrophobicContact CB-CD2 3.8Å; M2101-W2105 VanDerWaalsContact CB-CE2 3.49Å; M2101-W2105 HydrophobicContact CB-CE3 3.94Å; M2101-W2105 HydrophobicContact CB-CG 4.38Å; M2101-W2105 HydrophobicContact CB-CH2 3.8Å; M2101-W2105 HydrophobicContact CB-CZ2 3.64Å; M2101-W2105 HydrophobicContact CB-CZ3 3.95Å; M2101-W2105 HydrophobicContact CE-CZ2 4.28Å; M2101-W2105 HydrophobicContact CG-CH2 4.37Å; M2101-W2105 HydrophobicContact CG-CZ2 4.01Å; M2101-W2105 PolarHBondContact O-N 3.27Å; A2102-W2105 PolarHBondContact O-N 3.23Å; W2105-E2107 PolarHBondContact O-N 3.16Å; W2105-I2108 PolarHBondContact O-N 3.38Å; W2105-F2109 HydrophobicContact CB-CE2 4.25Å; W2105-F2109 HydrophobicContact CB-CZ 4.29Å; W2105-F2109 WeakPolarHBondContact O-CB 3.41Å; W2105-F2109 WeakPolarHBondContact O-CD1 3.4Å; W2105-F2109 VanDerWaalsContact O-CD2 3.29Å; W2105-F2109 WeakPolarHBondContact O-CD2 3.3Å; W2105-F2109 WeakPolarHBondContact O-CG 3.29Å; W2105-F2109 PolarHBondContact O-N 2.86Å; W2105-I2146 HydrophobicContact CD2-CD1 4.1Å; W2105-I2146 HydrophobicContact CD2-CG1 4.47Å; W2105-I2146 HydrophobicContact CD2-CG2 4.19Å; W2105-I2146 HydrophobicContact CE3-CD1 4.33Å; W2105-I2146 HydrophobicContact CE3-CG1 4.24Å; W2105-I2146 HydrophobicContact CE3-CG2 3.67Å; W2105-I2146 HydrophobicContact CH2-CD1 4.23Å; W2105-I2146 HydrophobicContact CH2-CG1 4.08Å; W2105-I2146 HydrophobicContact CZ2-CD1 3.98Å; W2105-I2146 HydrophobicContact CZ2-CG1 4.34Å; W2105-I2146 HydrophobicContact CZ3-CD1 4.39Å; W2105-I2146 HydrophobicContact CZ3-CG1 4.01Å; W2105-I2146 HydrophobicContact CZ3-CG2 4.05Å; W2105-F2150 HydrophobicContact CB-CZ 4.31Å; W2105-F2150 HydrophobicContact CE3-CE1 4.21Å; W2105-F2150 AromaticContact CE3-CZ 3.83Å; W2105-F2150 HydrophobicContact CE3-CZ 3.83Å; W2105-F2150 HydrophobicContact CZ3-CE1 4.45Å; W2105-F2150 HydrophobicContact CZ3-CZ 4.48Å |
| 2106 | Q | 90.9 | Very high | 86.3 | Confident | 44.6667 Ų | 44.6667 | 21.3 Ų | 21.3 | 21% | 0.209 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 174.6 | 179.9 | -175.4 | -29 | 0 | 0 | 112.2 | A2102 P2103 L2104 F2109 S2110 H2173 V2176 | A2102-Q2106 WeakPolarHBondContact O-CB 3.43Å; A2102-Q2106 PolarHBondContact O-N 3.27Å; P2103-Q2106 PolarHBondContact O-N 3.49Å; L2104-Q2106 VanDerWaalsContact C-N 3.29Å; L2104-Q2106 PolarHBondContact O-N 3.24Å; Q2106-F2109 PolarHBondContact O-N 3.25Å; Q2106-S2110 WeakPolarHBondContact O-CB 3.27Å; Q2106-S2110 PolarHBondContact O-N 3.38Å; Q2106-S2110 PolarHBondContact O-OG 3.13Å; Q2106-H2173 PolarHBondContact OE1-CD2 3.25Å; Q2106-H2173 PolarHBondContact OE1-NE2 3.36Å; Q2106-V2176 HydrophobicContact CG-CB 4.24Å; Q2106-V2176 HydrophobicContact CG-CG1 4.19Å; Q2106-V2176 HydrophobicContact CG-CG2 4.1Å |
| 2107 | E | 92 | Very high | 86.8 | Confident | 23.6667 Ų | 23.6667 | 21.7 Ų | 21.7 | 11% | 0.111 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.5 | -36.6 | 179.2 | -72.8 | -59.9 | 152.7 | 0 | 0 | 112.1 | A2057 I2060 H2061 R2064 P2103 L2104 W2105 F2109 S2110 L2111 | A2057-E2107 HydrophobicContact CB-CG 4.44Å; I2060-E2107 HydrophobicContact CB-CB 4.34Å; I2060-E2107 HydrophobicContact CG2-CB 3.95Å; H2061-E2107 WeakPolarHBondContact CA-OE2 3.5Å; H2061-E2107 HydrophobicContact CB-CG 4.28Å; H2061-E2107 IonicContact CE1-OE1 3.05Å; H2061-E2107 IonicContact CG-OE1 2.9Å; H2061-E2107 IonicContact CG-OE2 3.4Å; H2061-E2107 IonicContact ND1-OE1 2.92Å; H2061-E2107 PolarHBondContact ND1-OE1 3.36Å; H2061-E2107 IonicContact ND1-OE2 3.07Å; H2061-E2107 PolarHBondContact ND1-OE2 3.06Å; R2064-E2107 IonicContact CZ-OE2 3.65Å; R2064-E2107 IonicContact NE-OE2 3.69Å; R2064-E2107 PolarHBondContact NE-OE2 3.06Å; R2064-E2107 IonicContact NH2-OE1 3.19Å; R2064-E2107 PolarHBondContact NH2-OE1 3.04Å; R2064-E2107 VanDerWaalsContact NH2-OE1 3.09Å; R2064-E2107 IonicContact NH2-OE2 3.19Å; R2064-E2107 PolarHBondContact NH2-OE2 3.04Å; P2103-E2107 PolarHBondContact O-N 3.09Å; P2103-E2107 VanDerWaalsContact O-N 3.15Å; L2104-E2107 PolarHBondContact O-N 3.13Å; W2105-E2107 PolarHBondContact O-N 3.16Å; E2107-F2109 VanDerWaalsContact C-N 3.34Å; E2107-F2109 PolarHBondContact O-N 3.14Å; E2107-S2110 PolarHBondContact O-N 3Å; E2107-L2111 WeakPolarHBondContact O-CB 3.4Å; E2107-L2111 PolarHBondContact O-N 2.97Å |
| 2108 | I | 92.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.3 | -48.7 | 170.9 | -69.9 | 169.2 | 0 | 0 | 0 | 110.2 | I2060 I2087 I2090 L2091 L2104 W2105 S2110 L2111 I2112 | I2060-I2108 HydrophobicContact CD1-CD1 4.25Å; I2060-I2108 HydrophobicContact CD1-CG1 3.58Å; I2087-I2108 HydrophobicContact CB-CG1 4.47Å; I2087-I2108 HydrophobicContact CB-CG2 4.48Å; I2087-I2108 HydrophobicContact CG2-CB 4.14Å; I2087-I2108 HydrophobicContact CG2-CD1 4.09Å; I2087-I2108 HydrophobicContact CG2-CG1 3.79Å; I2087-I2108 HydrophobicContact CG2-CG2 3.4Å; I2087-I2108 VanDerWaalsContact CG2-CG2 3.43Å; I2090-I2108 HydrophobicContact CB-CD1 4.05Å; I2090-I2108 HydrophobicContact CD1-CD1 4.37Å; I2090-I2108 HydrophobicContact CG2-CD1 3.7Å; L2091-I2108 HydrophobicContact CD2-CG2 4.2Å; L2091-I2108 HydrophobicContact CG-CG2 4.49Å; L2104-I2108 HydrophobicContact CD1-CD1 4.29Å; L2104-I2108 HydrophobicContact CD1-CG1 4.46Å; L2104-I2108 HydrophobicContact CG-CD1 4Å; L2104-I2108 VanDerWaalsContact O-CG1 3.27Å; L2104-I2108 WeakPolarHBondContact O-CG1 3.38Å; L2104-I2108 PolarHBondContact O-N 3.21Å; W2105-I2108 PolarHBondContact O-N 3.38Å; I2108-S2110 VanDerWaalsContact C-N 3.32Å; I2108-S2110 PolarHBondContact O-N 3.24Å; I2108-L2111 PolarHBondContact O-N 3.08Å; I2108-I2112 HydrophobicContact CG2-CD1 3.77Å; I2108-I2112 HydrophobicContact CG2-CG1 4.45Å; I2108-I2112 WeakPolarHBondContact O-CG1 3.28Å; I2108-I2112 PolarHBondContact O-N 3.34Å |
| 2109 | F | 93 | Very high | 86.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | -179.4 | -64.3 | -19.4 | 0 | 0 | 0 | 112.2 | L2091 W2105 Q2106 E2107 L2111 T2113 F2143 I2146 F2150 V2176 A2177 L2180 | L2091-F2109 HydrophobicContact CD1-CE1 4.19Å; L2091-F2109 HydrophobicContact CD2-CD1 4.39Å; L2091-F2109 HydrophobicContact CD2-CE1 3.55Å; L2091-F2109 HydrophobicContact CD2-CZ 4.14Å; L2091-F2109 HydrophobicContact CG-CE1 4.49Å; W2105-F2109 HydrophobicContact CB-CE2 4.25Å; W2105-F2109 HydrophobicContact CB-CZ 4.29Å; W2105-F2109 WeakPolarHBondContact O-CB 3.41Å; W2105-F2109 WeakPolarHBondContact O-CD1 3.4Å; W2105-F2109 VanDerWaalsContact O-CD2 3.29Å; W2105-F2109 WeakPolarHBondContact O-CD2 3.3Å; W2105-F2109 WeakPolarHBondContact O-CG 3.29Å; W2105-F2109 PolarHBondContact O-N 2.86Å; Q2106-F2109 PolarHBondContact O-N 3.25Å; E2107-F2109 VanDerWaalsContact C-N 3.34Å; E2107-F2109 PolarHBondContact O-N 3.14Å; F2109-L2111 VanDerWaalsContact C-N 3.35Å; F2109-T2113 VanDerWaalsContact O-CB 3.28Å; F2109-T2113 WeakPolarHBondContact O-CB 3.18Å; F2109-T2113 PolarHBondContact O-N 3.22Å; F2109-T2113 PolarHBondContact O-OG1 2.87Å; F2109-F2143 HydrophobicContact CD1-CE2 4.03Å; F2109-F2143 AromaticContact CE1-CD2 3.68Å; F2109-F2143 HydrophobicContact CE1-CD2 3.68Å; F2109-F2143 AromaticContact CE1-CE2 3.46Å; F2109-F2143 HydrophobicContact CE1-CE2 3.46Å; F2109-F2143 VanDerWaalsContact CE1-CE2 3.46Å; F2109-F2143 HydrophobicContact CE2-CE2 4.43Å; F2109-F2143 AromaticContact CZ-CD2 3.83Å; F2109-F2143 HydrophobicContact CZ-CD2 3.83Å; F2109-F2143 AromaticContact CZ-CE2 3.69Å; F2109-F2143 HydrophobicContact CZ-CE2 3.69Å; F2109-I2146 HydrophobicContact CE2-CG2 4.06Å; F2109-I2146 HydrophobicContact CZ-CG2 3.92Å; F2109-F2150 HydrophobicContact CD2-CE2 4.48Å; F2109-F2150 AromaticContact CE2-CE2 3.9Å; F2109-F2150 HydrophobicContact CE2-CE2 3.9Å; F2109-V2176 HydrophobicContact CB-CG1 3.82Å; F2109-A2177 HydrophobicContact CD2-CB 3.68Å; F2109-A2177 HydrophobicContact CE2-CB 3.72Å; F2109-L2180 HydrophobicContact CB-CB 4.3Å; F2109-L2180 HydrophobicContact CB-CD2 3.8Å; F2109-L2180 HydrophobicContact CD1-CD2 3.42Å; F2109-L2180 VanDerWaalsContact CD1-CD2 3.43Å; F2109-L2180 HydrophobicContact CE1-CD2 4.2Å; F2109-L2180 HydrophobicContact CG-CD2 3.77Å |
| 2110 | S | 91.9 | Very high | 86.2 | Confident | 19.3333 Ų | 19.3333 | 27.9 Ų | 27.9 | 14% | 0.135 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | R2064 Q2106 E2107 I2108 C2114 V2176 | R2064-S2110 VanDerWaalsContact CD-C 3.43Å; R2064-S2110 WeakPolarHBondContact CD-O 3.4Å; Q2106-S2110 WeakPolarHBondContact O-CB 3.27Å; Q2106-S2110 PolarHBondContact O-N 3.38Å; Q2106-S2110 PolarHBondContact O-OG 3.13Å; E2107-S2110 PolarHBondContact O-N 3Å; I2108-S2110 VanDerWaalsContact C-N 3.32Å; I2108-S2110 PolarHBondContact O-N 3.24Å; S2110-C2114 WeakPolarHBondContact O-CB 3.41Å; S2110-C2114 PolarHBondContact O-N 3.01Å; S2110-V2176 VanDerWaalsContact OG-CG1 3.26Å; S2110-V2176 WeakPolarHBondContact OG-CG1 3.33Å |
| 2111 | L | 92.6 | Very high | 86 | Confident | 0.666667 Ų | 0.666667 | 29.4 Ų | 29.4 | 0% | 0.003 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.6 | -51.5 | 177.7 | 175.5 | 64.9 | 0 | 0 | 0 | 110.5 | I2060 R2064 F2083 I2087 E2107 I2108 F2109 T2113 C2114 L2115 | I2060-L2111 HydrophobicContact CG2-CB 4.01Å; I2060-L2111 HydrophobicContact CG2-CD2 3.89Å; R2064-L2111 HydrophobicContact CB-CB 4.25Å; R2064-L2111 HydrophobicContact CB-CD1 3.84Å; R2064-L2111 HydrophobicContact CG-CB 4.46Å; R2064-L2111 HydrophobicContact CG-CD1 4.39Å; F2083-L2111 HydrophobicContact CE1-CD2 3.99Å; F2083-L2111 HydrophobicContact CZ-CD2 3.84Å; I2087-L2111 HydrophobicContact CD1-CD2 3.96Å; E2107-L2111 WeakPolarHBondContact O-CB 3.4Å; E2107-L2111 PolarHBondContact O-N 2.97Å; I2108-L2111 PolarHBondContact O-N 3.08Å; F2109-L2111 VanDerWaalsContact C-N 3.35Å; L2111-T2113 VanDerWaalsContact C-N 3.26Å; L2111-T2113 PolarHBondContact O-N 3.18Å; L2111-C2114 WeakPolarHBondContact O-CA 3.4Å; L2111-C2114 VanDerWaalsContact O-CB 3.3Å; L2111-C2114 WeakPolarHBondContact O-CB 3.32Å; L2111-C2114 PolarHBondContact O-N 3.19Å; L2111-L2115 HydrophobicContact CD1-CD1 4.45Å; L2111-L2115 HydrophobicContact CD1-CD2 4.41Å; L2111-L2115 HydrophobicContact CD1-CG 4.27Å; L2111-L2115 HydrophobicContact CG-CD1 4.35Å; L2111-L2115 HydrophobicContact CG-CG 4.48Å; L2111-L2115 WeakPolarHBondContact O-CG 3.41Å; L2111-L2115 PolarHBondContact O-N 3.21Å |
| 2112 | I | 91.6 | Very high | 85.4 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 179.7 | -62.6 | 169.6 | 0 | 0 | 0 | 110.2 | I2087 I2108 C2114 L2115 L2116 I2132 L2136 L2180 | I2087-I2112 HydrophobicContact CD1-CG1 4.37Å; I2108-I2112 HydrophobicContact CG2-CD1 3.77Å; I2108-I2112 HydrophobicContact CG2-CG1 4.45Å; I2108-I2112 WeakPolarHBondContact O-CG1 3.28Å; I2108-I2112 PolarHBondContact O-N 3.34Å; I2112-C2114 VanDerWaalsContact C-N 3.32Å; I2112-C2114 PolarHBondContact O-N 3.05Å; I2112-L2115 PolarHBondContact O-N 3.34Å; I2112-L2116 HydrophobicContact CG2-CD1 3.88Å; I2112-L2116 HydrophobicContact CG2-CG 4.32Å; I2112-L2116 VanDerWaalsContact O-CG 3.29Å; I2112-L2116 WeakPolarHBondContact O-CG 3.46Å; I2112-L2116 PolarHBondContact O-N 3.35Å; I2112-I2132 HydrophobicContact CG2-CG2 3.81Å; I2112-L2136 HydrophobicContact CD1-CD1 4.45Å; I2112-L2136 HydrophobicContact CG2-CD1 4.37Å; I2112-L2180 HydrophobicContact CB-CD1 3.86Å; I2112-L2180 HydrophobicContact CG2-CD1 3.57Å |
| 2113 | T | 90.7 | Very high | 84.9 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.9 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | F2109 L2111 L2115 L2116 I2117 L2180 V2183 | F2109-T2113 VanDerWaalsContact O-CB 3.28Å; F2109-T2113 WeakPolarHBondContact O-CB 3.18Å; F2109-T2113 PolarHBondContact O-N 3.22Å; F2109-T2113 PolarHBondContact O-OG1 2.87Å; L2111-T2113 VanDerWaalsContact C-N 3.26Å; L2111-T2113 PolarHBondContact O-N 3.18Å; T2113-L2115 PolarHBondContact O-N 2.96Å; T2113-L2116 PolarHBondContact O-N 3.02Å; T2113-I2117 HydrophobicContact CG2-CD1 3.56Å; T2113-I2117 HydrophobicContact CG2-CG1 4.24Å; T2113-I2117 VanDerWaalsContact O-CG1 3.31Å; T2113-I2117 WeakPolarHBondContact O-CG1 3.13Å; T2113-I2117 PolarHBondContact O-N 3.29Å; T2113-L2180 WeakPolarHBondContact OG1-CA 3.29Å; T2113-L2180 WeakPolarHBondContact OG1-CB 3.32Å; T2113-L2180 VanDerWaalsContact OG1-CD1 3.28Å; T2113-L2180 WeakPolarHBondContact OG1-CD1 3.4Å; T2113-V2183 HydrophobicContact CG2-CG2 4.14Å |
| 2114 | C | 89.3 | Confident | 84.6 | Confident | 14.6667 Ų | 14.6667 | 38.7 Ų | 38.7 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -42 | 177.1 | -175 | 0 | 0 | 0 | 0 | 112.6 | R2064 S2110 L2111 I2112 L2116 Y2118 | R2064-C2114 HydrophobicContact CG-CB 4.28Å; S2110-C2114 WeakPolarHBondContact O-CB 3.41Å; S2110-C2114 PolarHBondContact O-N 3.01Å; L2111-C2114 WeakPolarHBondContact O-CA 3.4Å; L2111-C2114 VanDerWaalsContact O-CB 3.3Å; L2111-C2114 WeakPolarHBondContact O-CB 3.32Å; L2111-C2114 PolarHBondContact O-N 3.19Å; I2112-C2114 VanDerWaalsContact C-N 3.32Å; I2112-C2114 PolarHBondContact O-N 3.05Å; C2114-L2116 VanDerWaalsContact C-N 3.33Å; C2114-L2116 PolarHBondContact O-N 3.12Å; C2114-Y2118 WeakPolarHBondContact O-CD2 3.4Å |
| 2115 | L | 88.3 | Confident | 84 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | 179 | -62.2 | -178.1 | 0 | 0 | 0 | 112.5 | A2067 R2074 L2077 I2078 L2084 L2111 I2112 T2113 I2132 | A2067-L2115 HydrophobicContact CB-CD2 4.12Å; R2074-L2115 HydrophobicContact CG-CD2 3.95Å; L2077-L2115 HydrophobicContact CB-CD2 4.23Å; I2078-L2115 HydrophobicContact CD1-CB 4.43Å; I2078-L2115 HydrophobicContact CD1-CD2 4.48Å; I2078-L2115 HydrophobicContact CG1-CB 4.22Å; I2078-L2115 HydrophobicContact CG1-CD1 4.39Å; I2078-L2115 HydrophobicContact CG1-CD2 4.06Å; I2078-L2115 HydrophobicContact CG1-CG 4.4Å; L2084-L2115 HydrophobicContact CD2-CD1 4.03Å; L2111-L2115 HydrophobicContact CD1-CD1 4.45Å; L2111-L2115 HydrophobicContact CD1-CD2 4.41Å; L2111-L2115 HydrophobicContact CD1-CG 4.27Å; L2111-L2115 HydrophobicContact CG-CD1 4.35Å; L2111-L2115 HydrophobicContact CG-CG 4.48Å; L2111-L2115 WeakPolarHBondContact O-CG 3.41Å; L2111-L2115 PolarHBondContact O-N 3.21Å; I2112-L2115 PolarHBondContact O-N 3.34Å; T2113-L2115 PolarHBondContact O-N 2.96Å; L2115-I2132 HydrophobicContact CB-CD1 4.24Å; L2115-I2132 HydrophobicContact CD1-CD1 4.27Å |
| 2116 | L | 86.7 | Confident | 83.5 | Confident | 0.666667 Ų | 0.666667 | 45.4 Ų | 45.4 | 0% | 0.003 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -80.2 | -44.3 | -179 | -66 | 175.2 | 0 | 0 | 0 | 112.8 | I2112 T2113 C2114 Y2118 S2119 N2128 I2132 L2133 L2180 V2183 I2184 H2187 | I2112-L2116 HydrophobicContact CG2-CD1 3.88Å; I2112-L2116 HydrophobicContact CG2-CG 4.32Å; I2112-L2116 VanDerWaalsContact O-CG 3.29Å; I2112-L2116 WeakPolarHBondContact O-CG 3.46Å; I2112-L2116 PolarHBondContact O-N 3.35Å; T2113-L2116 PolarHBondContact O-N 3.02Å; C2114-L2116 VanDerWaalsContact C-N 3.33Å; C2114-L2116 PolarHBondContact O-N 3.12Å; L2116-Y2118 VanDerWaalsContact C-N 3.31Å; L2116-Y2118 PolarHBondContact O-N 3.17Å; L2116-Y2118 VanDerWaalsContact O-N 3.16Å; L2116-S2119 PolarHBondContact O-N 3.22Å; L2116-S2119 PolarHBondContact O-OG 3.22Å; L2116-N2128 HydrophobicContact CD2-CB 4.02Å; L2116-I2132 HydrophobicContact CD2-CD1 4.31Å; L2116-I2132 HydrophobicContact CD2-CG2 4.29Å; L2116-L2133 HydrophobicContact CD1-CD2 4.44Å; L2116-L2180 HydrophobicContact CD1-CD1 4.45Å; L2116-V2183 HydrophobicContact CB-CG1 3.53Å; L2116-V2183 HydrophobicContact CD1-CG1 4.04Å; L2116-V2183 HydrophobicContact CG-CG1 4.45Å; L2116-I2184 HydrophobicContact CD1-CG1 3.82Å; L2116-H2187 VanDerWaalsContact CD2-CD2 3.45Å; L2116-H2187 WeakPolarHBondContact CD2-CD2 3.07Å; L2116-H2187 WeakPolarHBondContact CD2-NE2 3.17Å; L2116-H2187 PolarHBondContact O-CE1 3.44Å |
| 2117 | I | 83.4 | Confident | 83.1 | Confident | 96.3333 Ų | 96.3333 | 45.3 Ų | 45.3 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.6 | -39.7 | -173.6 | -73.1 | 172.9 | 0 | 0 | 0 | 112.8 | T2113 S2119 V2183 | T2113-I2117 HydrophobicContact CG2-CD1 3.56Å; T2113-I2117 HydrophobicContact CG2-CG1 4.24Å; T2113-I2117 VanDerWaalsContact O-CG1 3.31Å; T2113-I2117 WeakPolarHBondContact O-CG1 3.13Å; T2113-I2117 PolarHBondContact O-N 3.29Å; I2117-S2119 VanDerWaalsContact C-N 3.33Å; I2117-S2119 PolarHBondContact O-N 3.19Å; I2117-V2183 HydrophobicContact CD1-CG2 4.15Å; I2117-V2183 HydrophobicContact CG1-CG1 4.08Å; I2117-V2183 HydrophobicContact CG1-CG2 3.94Å |
| 2118 | Y | 72.2 | Confident | 82.8 | Confident | 121.333 Ų | 121.333 | 44.1 Ų | 44.1 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 13.5 | -172.1 | -68.1 | -83.9 | 0 | 0 | 0 | 114.5 | R2074 C2114 L2116 N2120 | R2074-Y2118 VanDerWaalsContact CZ-CB 3.42Å; R2074-Y2118 VanDerWaalsContact NH1-C 3.31Å; R2074-Y2118 PolarHBondContact NH1-O 3.18Å; R2074-Y2118 PolarHBondContact NH2-O 3.25Å; C2114-Y2118 WeakPolarHBondContact O-CD2 3.4Å; L2116-Y2118 VanDerWaalsContact C-N 3.31Å; L2116-Y2118 PolarHBondContact O-N 3.17Å; L2116-Y2118 VanDerWaalsContact O-N 3.16Å; Y2118-N2120 PolarHBondContact O-N 3.24Å; Y2118-N2120 VanDerWaalsContact O-N 3.1Å |
| 2119 | S | 69 | Low | 82.3 | Confident | 8.33333 Ų | 8.33333 | 46 Ų | 46 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | trans | -84.8 | 88.7 | -176.6 | 78 | 0 | 0 | 0 | 0 | 112.7 | L2116 I2117 T2124 K2125 N2128 H2187 | L2116-S2119 PolarHBondContact O-N 3.22Å; L2116-S2119 PolarHBondContact O-OG 3.22Å; I2117-S2119 VanDerWaalsContact C-N 3.33Å; I2117-S2119 PolarHBondContact O-N 3.19Å; S2119-T2124 WeakPolarHBondContact CB-OG1 3.02Å; S2119-K2125 WeakPolarHBondContact O-CE 3.4Å; S2119-N2128 WeakPolarHBondContact CB-ND2 3.36Å; S2119-N2128 PolarHBondContact OG-ND2 3.39Å; S2119-H2187 PolarHBondContact OG-CE1 3.26Å; S2119-H2187 PolarHBondContact OG-NE2 3.18Å | ||
| 2120 | N | 67.6 | Low | 81.8 | Confident | 133.333 Ų | 133.333 | 53.7 Ų | 53.7 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | trans | -88.8 | -29.3 | 178.7 | -70.2 | -17.7 | 0 | 0 | 0 | 113.2 | Y2118 | Y2118-N2120 PolarHBondContact O-N 3.24Å; Y2118-N2120 VanDerWaalsContact O-N 3.1Å | ||
| 2121 | N | 73.6 | Confident | 81.5 | Confident | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -84.3 | 146.7 | -171 | -61.7 | -12.4 | 0 | 0 | 0 | 112.6 | E2123 T2124 K2125 | N2121-E2123 VanDerWaalsContact C-N 3.3Å; N2121-E2123 PolarHBondContact O-N 2.93Å; N2121-T2124 HydrophobicContact CB-CG2 4.23Å; N2121-T2124 PolarHBondContact N-OG1 2.77Å; N2121-T2124 PolarHBondContact O-N 3.27Å; N2121-T2124 VanDerWaalsContact O-N 3.15Å; N2121-T2124 PolarHBondContact O-OG1 3.21Å; N2121-K2125 WeakPolarHBondContact O-CG 2.86Å; N2121-K2125 PolarHBondContact O-N 3.2Å; N2121-K2125 VanDerWaalsContact O-N 3.12Å |
| 2122 | A | 73.7 | Confident | 81.3 | Confident | 86.3333 Ų | 86.3333 | 54 Ų | 54 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.8 | -38.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | K2125 G2126 | A2122-K2125 PolarHBondContact O-N 3.06Å; A2122-G2126 PolarHBondContact O-N 2.94Å; A2122-G2126 VanDerWaalsContact O-N 3.13Å |
| 2123 | E | 76.6 | Confident | 81.1 | Confident | 154.667 Ų | 154.667 | 53.8 Ų | 53.8 | 72% | 0.723 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.6 | -65.1 | -178.1 | 170.5 | 0 | 0 | 112.3 | N2121 K2125 G2126 L2127 | N2121-E2123 VanDerWaalsContact C-N 3.3Å; N2121-E2123 PolarHBondContact O-N 2.93Å; E2123-K2125 VanDerWaalsContact C-N 3.31Å; E2123-K2125 PolarHBondContact O-N 3.29Å; E2123-G2126 PolarHBondContact O-N 2.99Å; E2123-G2126 VanDerWaalsContact O-N 3.12Å; E2123-L2127 PolarHBondContact O-N 3.32Å |
| 2124 | T | 78.5 | Confident | 80.9 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 177.8 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | M2075 S2119 N2121 G2126 L2127 N2128 | M2075-T2124 HydrophobicContact CE-CG2 3.62Å; M2075-T2124 HydrophobicContact SD-CG2 3.29Å; M2075-T2124 WeakPolarHBondContact SD-CG2 3.29Å; S2119-T2124 WeakPolarHBondContact CB-OG1 3.02Å; N2121-T2124 HydrophobicContact CB-CG2 4.23Å; N2121-T2124 PolarHBondContact N-OG1 2.77Å; N2121-T2124 PolarHBondContact O-N 3.27Å; N2121-T2124 VanDerWaalsContact O-N 3.15Å; N2121-T2124 PolarHBondContact O-OG1 3.21Å; T2124-G2126 VanDerWaalsContact C-N 3.33Å; T2124-G2126 PolarHBondContact O-N 2.88Å; T2124-L2127 PolarHBondContact O-N 3Å; T2124-N2128 VanDerWaalsContact O-CB 3.26Å; T2124-N2128 WeakPolarHBondContact O-CB 3.35Å; T2124-N2128 PolarHBondContact O-N 3.05Å; T2124-N2128 PolarHBondContact O-ND2 2.64Å |
| 2125 | K | 77.9 | Confident | 80.8 | Confident | 97.6667 Ų | 97.6667 | 59.2 Ų | 59.2 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 173.3 | -68.4 | 179 | -179.1 | 176.7 | 0 | 111.5 | S2119 N2121 A2122 E2123 L2129 | S2119-K2125 WeakPolarHBondContact O-CE 3.4Å; N2121-K2125 WeakPolarHBondContact O-CG 2.86Å; N2121-K2125 PolarHBondContact O-N 3.2Å; N2121-K2125 VanDerWaalsContact O-N 3.12Å; A2122-K2125 PolarHBondContact O-N 3.06Å; E2123-K2125 VanDerWaalsContact C-N 3.31Å; E2123-K2125 PolarHBondContact O-N 3.29Å; K2125-L2129 WeakPolarHBondContact O-CB 3.38Å; K2125-L2129 PolarHBondContact O-N 3.27Å |
| 2126 | G | 80.5 | Confident | 80.7 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2122 E2123 T2124 L2129 R2130 | A2122-G2126 PolarHBondContact O-N 2.94Å; A2122-G2126 VanDerWaalsContact O-N 3.13Å; E2123-G2126 PolarHBondContact O-N 2.99Å; E2123-G2126 VanDerWaalsContact O-N 3.12Å; T2124-G2126 VanDerWaalsContact C-N 3.33Å; T2124-G2126 PolarHBondContact O-N 2.88Å; G2126-L2129 PolarHBondContact O-N 3.44Å; G2126-R2130 WeakPolarHBondContact O-CB 3.32Å; G2126-R2130 PolarHBondContact O-N 3.16Å; G2126-R2130 VanDerWaalsContact O-N 3.09Å |
| 2127 | L | 83.2 | Confident | 80.6 | Confident | 42.6667 Ų | 42.6667 | 60 Ų | 60 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.1 | -70 | 173.8 | 0 | 0 | 0 | 111.9 | M2075 I2078 E2123 T2124 L2129 R2130 L2131 | M2075-L2127 HydrophobicContact CE-CD1 4.49Å; I2078-L2127 HydrophobicContact CG2-CB 3.67Å; I2078-L2127 HydrophobicContact CG2-CD1 4.09Å; I2078-L2127 HydrophobicContact CG2-CG 4.48Å; E2123-L2127 PolarHBondContact O-N 3.32Å; T2124-L2127 PolarHBondContact O-N 3Å; L2127-L2129 VanDerWaalsContact C-N 3.29Å; L2127-L2129 PolarHBondContact O-N 3.11Å; L2127-R2130 PolarHBondContact O-N 3.1Å; L2127-R2130 VanDerWaalsContact O-N 3.08Å; L2127-L2131 HydrophobicContact CD2-CD1 4.12Å; L2127-L2131 WeakPolarHBondContact O-CB 3.4Å; L2127-L2131 PolarHBondContact O-N 3.12Å |
| 2128 | N | 84.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -58.9 | -41.2 | 178.1 | -74.1 | -10.9 | 0 | 0 | 0 | 111.6 | I2078 L2116 S2119 T2124 I2132 L2133 H2187 | I2078-N2128 WeakPolarHBondContact CG2-OD1 3.29Å; L2116-N2128 HydrophobicContact CD2-CB 4.02Å; S2119-N2128 WeakPolarHBondContact CB-ND2 3.36Å; S2119-N2128 PolarHBondContact OG-ND2 3.39Å; T2124-N2128 VanDerWaalsContact O-CB 3.26Å; T2124-N2128 WeakPolarHBondContact O-CB 3.35Å; T2124-N2128 PolarHBondContact O-N 3.05Å; T2124-N2128 PolarHBondContact O-ND2 2.64Å; N2128-I2132 WeakPolarHBondContact O-CB 3.34Å; N2128-I2132 PolarHBondContact O-N 3.02Å; N2128-I2132 VanDerWaalsContact O-N 3.1Å; N2128-L2133 PolarHBondContact O-N 3.21Å; N2128-H2187 PolarHBondContact ND2-NE2 2.64Å |
| 2129 | L | 82.6 | Confident | 81.3 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -61.3 | -46.7 | 174.2 | -175.3 | 122 | 0 | 0 | 0 | 111.4 | K2125 G2126 L2127 L2133 K2134 Q2188 P2195 | K2125-L2129 WeakPolarHBondContact O-CB 3.38Å; K2125-L2129 PolarHBondContact O-N 3.27Å; G2126-L2129 PolarHBondContact O-N 3.44Å; L2127-L2129 VanDerWaalsContact C-N 3.29Å; L2127-L2129 PolarHBondContact O-N 3.11Å; L2129-L2133 HydrophobicContact CD1-CD1 4.3Å; L2129-K2134 HydrophobicContact CD2-CD 4.23Å; L2129-K2134 HydrophobicContact CD2-CG 4.35Å; L2129-K2134 WeakPolarHBondContact O-CB 3.43Å; L2129-K2134 WeakPolarHBondContact O-CG 3.32Å; L2129-K2134 PolarHBondContact O-N 3.23Å; L2129-K2134 VanDerWaalsContact O-N 3.08Å; L2129-Q2188 HydrophobicContact CD1-CG 4.39Å; L2129-P2195 HydrophobicContact CD1-CG 4.41Å |
| 2130 | R | 83.9 | Confident | 82.1 | Confident | 161 Ų | 161 | 55.6 Ų | 55.6 | 61% | 0.608 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -74.8 | -43 | -173.9 | -175.5 | 175.7 | 94.8 | 172 | -1 | 113.6 | G2126 L2127 P2135 | G2126-R2130 WeakPolarHBondContact O-CB 3.32Å; G2126-R2130 PolarHBondContact O-N 3.16Å; G2126-R2130 VanDerWaalsContact O-N 3.09Å; L2127-R2130 PolarHBondContact O-N 3.1Å; L2127-R2130 VanDerWaalsContact O-N 3.08Å; R2130-P2135 WeakPolarHBondContact O-CD 3.3Å |
| 2131 | L | 85.7 | Confident | 82.8 | Confident | 24.6667 Ų | 24.6667 | 51.2 Ų | 51.2 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -103.3 | -20.9 | -166.8 | -60.9 | 178.5 | 0 | 0 | 0 | 113.6 | I2078 L2084 L2127 P2135 | I2078-L2131 WeakPolarHBondContact O-CD1 3.39Å; L2084-L2131 HydrophobicContact CD1-CB 3.83Å; L2127-L2131 HydrophobicContact CD2-CD1 4.12Å; L2127-L2131 WeakPolarHBondContact O-CB 3.4Å; L2127-L2131 PolarHBondContact O-N 3.12Å; L2131-P2135 WeakPolarHBondContact O-CG 3.34Å |
| 2132 | I | 87.5 | Confident | 83.3 | Confident | 0.666667 Ų | 0.666667 | 49.8 Ų | 49.8 | 0% | 0.003 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -112.9 | -62.4 | -179.5 | -58.2 | 176.8 | 0 | 0 | 0 | 110.3 | L2084 I2112 L2115 L2116 N2128 P2135 L2136 | L2084-I2132 HydrophobicContact CD1-CD1 4.4Å; L2084-I2132 HydrophobicContact CD1-CG1 3.9Å; L2084-I2132 HydrophobicContact CD2-CD1 4.46Å; L2084-I2132 HydrophobicContact CD2-CG1 4.29Å; I2112-I2132 HydrophobicContact CG2-CG2 3.81Å; L2115-I2132 HydrophobicContact CB-CD1 4.24Å; L2115-I2132 HydrophobicContact CD1-CD1 4.27Å; L2116-I2132 HydrophobicContact CD2-CD1 4.31Å; L2116-I2132 HydrophobicContact CD2-CG2 4.29Å; N2128-I2132 WeakPolarHBondContact O-CB 3.34Å; N2128-I2132 PolarHBondContact O-N 3.02Å; N2128-I2132 VanDerWaalsContact O-N 3.1Å; I2132-P2135 WeakPolarHBondContact O-CD 3.33Å; I2132-L2136 HydrophobicContact CG2-CD1 3.64Å; I2132-L2136 VanDerWaalsContact O-CB 3.31Å; I2132-L2136 WeakPolarHBondContact O-CB 3.33Å; I2132-L2136 WeakPolarHBondContact O-CD1 3.42Å; I2132-L2136 VanDerWaalsContact O-CG 3.27Å; I2132-L2136 WeakPolarHBondContact O-CG 3.33Å; I2132-L2136 PolarHBondContact O-N 3.12Å |
| 2133 | L | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -66 | -45.3 | -172.1 | -63.8 | 178.1 | 0 | 0 | 0 | 112.3 | L2116 N2128 L2129 L2136 T2137 I2184 H2187 P2195 V2196 | L2116-L2133 HydrophobicContact CD1-CD2 4.44Å; N2128-L2133 PolarHBondContact O-N 3.21Å; L2129-L2133 HydrophobicContact CD1-CD1 4.3Å; L2133-L2136 PolarHBondContact O-N 3.26Å; L2133-T2137 WeakPolarHBondContact O-CB 3.33Å; L2133-T2137 VanDerWaalsContact O-CG2 3.3Å; L2133-T2137 WeakPolarHBondContact O-CG2 3.32Å; L2133-T2137 PolarHBondContact O-N 3.15Å; L2133-T2137 VanDerWaalsContact O-N 3.09Å; L2133-T2137 PolarHBondContact O-OG1 3.46Å; L2133-I2184 HydrophobicContact CD2-CB 4.45Å; L2133-I2184 HydrophobicContact CD2-CG1 4.43Å; L2133-I2184 HydrophobicContact CD2-CG2 3.92Å; L2133-H2187 HydrophobicContact CD1-CB 4.39Å; L2133-P2195 HydrophobicContact CB-CG 3.77Å; L2133-V2196 HydrophobicContact CD2-CG2 4.43Å |
| 2134 | K | 86.4 | Confident | 84.3 | Confident | 111.333 Ų | 111.333 | 38.8 Ų | 38.8 | 48% | 0.484 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.1 | -51.8 | 177.6 | -84.4 | -176.9 | -176.2 | -177 | 0 | 112.6 | L2129 L2136 T2137 P2195 | L2129-K2134 HydrophobicContact CD2-CD 4.23Å; L2129-K2134 HydrophobicContact CD2-CG 4.35Å; L2129-K2134 WeakPolarHBondContact O-CB 3.43Å; L2129-K2134 WeakPolarHBondContact O-CG 3.32Å; L2129-K2134 PolarHBondContact O-N 3.23Å; L2129-K2134 VanDerWaalsContact O-N 3.08Å; K2134-L2136 VanDerWaalsContact C-N 3.32Å; K2134-L2136 PolarHBondContact O-N 2.97Å; K2134-T2137 VanDerWaalsContact O-CB 3.29Å; K2134-T2137 WeakPolarHBondContact O-CB 3.41Å; K2134-T2137 PolarHBondContact O-N 2.91Å; K2134-T2137 VanDerWaalsContact O-N 3.13Å; K2134-T2137 PolarHBondContact O-OG1 3.26Å; K2134-P2195 HydrophobicContact CG-CB 4.44Å; K2134-P2195 HydrophobicContact CG-CG 4.34Å |
| 2135 | P | 86.9 | Confident | 84.6 | Confident | 31.3333 Ų | 31.3333 | 40.7 Ų | 40.7 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 177.3 | -26.4 | 37.6 | 0 | 0 | 0 | 113.4 | I2088 R2130 L2131 I2132 T2137 N2138 V2139 | I2088-P2135 HydrophobicContact CD1-CB 3.8Å; I2088-P2135 HydrophobicContact CD1-CG 4.49Å; I2088-P2135 HydrophobicContact CG2-CB 4.27Å; R2130-P2135 WeakPolarHBondContact O-CD 3.3Å; L2131-P2135 WeakPolarHBondContact O-CG 3.34Å; I2132-P2135 WeakPolarHBondContact O-CD 3.33Å; P2135-T2137 VanDerWaalsContact C-N 3.26Å; P2135-T2137 PolarHBondContact O-N 3.09Å; P2135-N2138 WeakPolarHBondContact O-CB 3.23Å; P2135-N2138 PolarHBondContact O-N 3.12Å; P2135-V2139 PolarHBondContact O-N 3.39Å |
| 2136 | L | 86.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -32.2 | 174.7 | -106.2 | 159 | 0 | 0 | 0 | 112.4 | I2088 L2091 I2112 I2132 L2133 K2134 N2138 V2139 L2140 F2143 I2184 V2196 | I2088-L2136 HydrophobicContact CD1-CG 4.27Å; I2088-L2136 HydrophobicContact CG1-CD2 4.39Å; I2088-L2136 HydrophobicContact CG2-CD2 4.43Å; L2091-L2136 HydrophobicContact CD1-CD2 3.92Å; I2112-L2136 HydrophobicContact CD1-CD1 4.45Å; I2112-L2136 HydrophobicContact CG2-CD1 4.37Å; I2132-L2136 HydrophobicContact CG2-CD1 3.64Å; I2132-L2136 VanDerWaalsContact O-CB 3.31Å; I2132-L2136 WeakPolarHBondContact O-CB 3.33Å; I2132-L2136 WeakPolarHBondContact O-CD1 3.42Å; I2132-L2136 VanDerWaalsContact O-CG 3.27Å; I2132-L2136 WeakPolarHBondContact O-CG 3.33Å; I2132-L2136 PolarHBondContact O-N 3.12Å; L2133-L2136 PolarHBondContact O-N 3.26Å; K2134-L2136 VanDerWaalsContact C-N 3.32Å; K2134-L2136 PolarHBondContact O-N 2.97Å; L2136-N2138 PolarHBondContact O-N 3.19Å; L2136-V2139 HydrophobicContact CD2-CG2 4.14Å; L2136-V2139 CarbonylContact O-C 3.34Å; L2136-V2139 WeakPolarHBondContact O-CG2 3.25Å; L2136-V2139 PolarHBondContact O-N 3.27Å; L2136-V2139 VanDerWaalsContact O-N 3.14Å; L2136-L2140 PolarHBondContact O-N 3.24Å; L2136-L2140 VanDerWaalsContact O-N 3.09Å; L2136-F2143 HydrophobicContact CD2-CD1 4.25Å; L2136-F2143 HydrophobicContact CD2-CE1 4.41Å; L2136-I2184 HydrophobicContact CD1-CD1 3.81Å; L2136-I2184 HydrophobicContact CD1-CG1 4.47Å; L2136-I2184 HydrophobicContact CD2-CD1 3.8Å; L2136-I2184 HydrophobicContact CD2-CG2 4.36Å; L2136-I2184 HydrophobicContact CG-CD1 4.41Å; L2136-V2196 HydrophobicContact CD2-CG2 4.25Å |
| 2137 | T | 85.4 | Confident | 85.4 | Confident | 15 Ų | 15 | 34 Ų | 34 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -28.6 | 173.5 | 39.6 | 0 | 0 | 0 | 0 | 112.7 | L2133 K2134 P2135 V2139 L2140 P2195 V2196 R2199 | L2133-T2137 WeakPolarHBondContact O-CB 3.33Å; L2133-T2137 VanDerWaalsContact O-CG2 3.3Å; L2133-T2137 WeakPolarHBondContact O-CG2 3.32Å; L2133-T2137 PolarHBondContact O-N 3.15Å; L2133-T2137 VanDerWaalsContact O-N 3.09Å; L2133-T2137 PolarHBondContact O-OG1 3.46Å; K2134-T2137 VanDerWaalsContact O-CB 3.29Å; K2134-T2137 WeakPolarHBondContact O-CB 3.41Å; K2134-T2137 PolarHBondContact O-N 2.91Å; K2134-T2137 VanDerWaalsContact O-N 3.13Å; K2134-T2137 PolarHBondContact O-OG1 3.26Å; P2135-T2137 VanDerWaalsContact C-N 3.26Å; P2135-T2137 PolarHBondContact O-N 3.09Å; T2137-V2139 VanDerWaalsContact C-N 3.33Å; T2137-L2140 WeakPolarHBondContact O-CB 3.15Å; T2137-P2195 VanDerWaalsContact CG2-C 3.48Å; T2137-P2195 HydrophobicContact CG2-CB 4.02Å; T2137-P2195 HydrophobicContact CG2-CG 4.22Å; T2137-P2195 WeakPolarHBondContact CG2-O 3.25Å; T2137-V2196 HydrophobicContact CG2-CB 4.42Å; T2137-V2196 HydrophobicContact CG2-CG2 3.83Å; T2137-V2196 WeakPolarHBondContact OG1-CG2 3.15Å; T2137-V2196 PolarHBondContact OG1-N 3.31Å; T2137-R2199 HydrophobicContact CG2-CB 3.68Å; T2137-R2199 HydrophobicContact CG2-CG 4.15Å; T2137-R2199 WeakPolarHBondContact O-CD 3.33Å; T2137-R2199 PolarHBondContact O-NE 3.1Å; T2137-R2199 VanDerWaalsContact O-NE 3.16Å; T2137-R2199 PolarHBondContact O-NH1 3.4Å |
| 2138 | N | 85 | Confident | 85.6 | Confident | 116.667 Ų | 116.667 | 32.2 Ų | 32.2 | 62% | 0.624 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -76.3 | -27.6 | 179.5 | -66.6 | -20.4 | 0 | 0 | 0 | 112.9 | P2135 L2136 | P2135-N2138 WeakPolarHBondContact O-CB 3.23Å; P2135-N2138 PolarHBondContact O-N 3.12Å; L2136-N2138 PolarHBondContact O-N 3.19Å |
| 2139 | V | 85.3 | Confident | 85.6 | Confident | 14.6667 Ų | 14.6667 | 33.9 Ų | 33.9 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -102.5 | 8.8 | -179.3 | -137.7 | 0 | 0 | 0 | 0 | 111.9 | I2088 L2091 T2092 P2135 L2136 T2137 N2142 F2143 | I2088-V2139 HydrophobicContact CG2-CB 4.46Å; I2088-V2139 HydrophobicContact CG2-CG1 4.28Å; I2088-V2139 HydrophobicContact CG2-CG2 3.77Å; L2091-V2139 HydrophobicContact CB-CG1 3.82Å; L2091-V2139 HydrophobicContact CB-CG2 4.49Å; L2091-V2139 HydrophobicContact CD1-CG2 4.48Å; T2092-V2139 HydrophobicContact CG2-CB 4.39Å; T2092-V2139 HydrophobicContact CG2-CG1 3.55Å; T2092-V2139 VanDerWaalsContact CG2-CG1 3.42Å; T2092-V2139 HydrophobicContact CG2-CG2 3.8Å; P2135-V2139 PolarHBondContact O-N 3.39Å; L2136-V2139 HydrophobicContact CD2-CG2 4.14Å; L2136-V2139 CarbonylContact O-C 3.34Å; L2136-V2139 WeakPolarHBondContact O-CG2 3.25Å; L2136-V2139 PolarHBondContact O-N 3.27Å; L2136-V2139 VanDerWaalsContact O-N 3.14Å; T2137-V2139 VanDerWaalsContact C-N 3.33Å; V2139-N2142 HydrophobicContact CG1-CB 3.99Å; V2139-N2142 PolarHBondContact O-N 3.17Å; V2139-N2142 VanDerWaalsContact O-N 3.13Å; V2139-F2143 WeakPolarHBondContact O-CB 3.28Å; V2139-F2143 PolarHBondContact O-N 3.11Å |
| 2140 | L | 84.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -54.1 | -43.8 | -173.5 | -176 | 62.4 | 0 | 0 | 0 | 114 | L2136 T2137 N2142 F2143 L2144 V2196 R2199 L2200 | L2136-L2140 PolarHBondContact O-N 3.24Å; L2136-L2140 VanDerWaalsContact O-N 3.09Å; T2137-L2140 WeakPolarHBondContact O-CB 3.15Å; L2140-N2142 PolarHBondContact O-N 3.09Å; L2140-F2143 HydrophobicContact CD1-CD1 4.18Å; L2140-F2143 PolarHBondContact O-N 3.02Å; L2140-L2144 HydrophobicContact CD1-CD1 4.33Å; L2140-L2144 HydrophobicContact CD1-CD2 4.46Å; L2140-L2144 HydrophobicContact CD1-CG 4.12Å; L2140-L2144 HydrophobicContact CG-CD1 4.2Å; L2140-L2144 HydrophobicContact CG-CG 4.41Å; L2140-L2144 WeakPolarHBondContact O-CG 3.35Å; L2140-L2144 PolarHBondContact O-N 2.94Å; L2140-V2196 HydrophobicContact CD1-CG1 3.93Å; L2140-V2196 HydrophobicContact CD2-CG1 4.31Å; L2140-R2199 HydrophobicContact CD2-CB 4.19Å; L2140-R2199 HydrophobicContact CD2-CG 4.04Å; L2140-L2200 HydrophobicContact CD1-CD2 4.28Å; L2140-L2200 HydrophobicContact CD2-CD2 3.7Å; L2140-L2200 HydrophobicContact CD2-CG 3.95Å; L2140-L2200 HydrophobicContact CG-CD2 4.25Å |
| 2141 | P | 82.6 | Confident | 85.9 | Confident | 40.6667 Ų | 40.6667 | 24.3 Ų | 24.3 | 26% | 0.264 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 178.3 | -23.2 | 34.7 | 0 | 0 | 0 | 112.6 | F2143 L2144 N2145 | P2141-F2143 VanDerWaalsContact C-N 3.33Å; P2141-F2143 PolarHBondContact O-N 3.1Å; P2141-L2144 PolarHBondContact O-N 3.22Å; P2141-N2145 WeakPolarHBondContact O-CB 3.34Å; P2141-N2145 PolarHBondContact O-N 3.32Å; P2141-N2145 PolarHBondContact O-ND2 3.05Å |
| 2142 | N | 84.3 | Confident | 85.9 | Confident | 58.6667 Ų | 58.6667 | 24.8 Ų | 24.8 | 31% | 0.314 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 176.8 | -70.6 | 15.5 | 0 | 0 | 0 | 111.1 | L2091 T2092 V2139 L2140 N2145 I2146 | L2091-N2142 WeakPolarHBondContact O-CB 3.28Å; T2092-N2142 PolarHBondContact O-ND2 3.24Å; T2092-N2142 VanDerWaalsContact O-ND2 3.15Å; V2139-N2142 HydrophobicContact CG1-CB 3.99Å; V2139-N2142 PolarHBondContact O-N 3.17Å; V2139-N2142 VanDerWaalsContact O-N 3.13Å; L2140-N2142 PolarHBondContact O-N 3.09Å; N2142-N2145 PolarHBondContact O-N 3.22Å; N2142-I2146 VanDerWaalsContact O-CG1 3.28Å; N2142-I2146 WeakPolarHBondContact O-CG1 3.44Å; N2142-I2146 PolarHBondContact O-N 2.98Å |
| 2143 | F | 86.1 | Confident | 85.6 | Confident | 3.66667 Ų | 3.66667 | 27.7 Ų | 27.7 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.2 | 174.4 | -117.3 | 0 | 0 | 0 | 112.4 | L2091 F2109 L2136 V2139 L2140 P2141 N2145 I2146 I2147 L2180 L2181 I2184 | L2091-F2143 HydrophobicContact CD1-CD2 4.47Å; F2109-F2143 HydrophobicContact CD1-CE2 4.03Å; F2109-F2143 AromaticContact CE1-CD2 3.68Å; F2109-F2143 HydrophobicContact CE1-CD2 3.68Å; F2109-F2143 AromaticContact CE1-CE2 3.46Å; F2109-F2143 HydrophobicContact CE1-CE2 3.46Å; F2109-F2143 VanDerWaalsContact CE1-CE2 3.46Å; F2109-F2143 HydrophobicContact CE2-CE2 4.43Å; F2109-F2143 AromaticContact CZ-CD2 3.83Å; F2109-F2143 HydrophobicContact CZ-CD2 3.83Å; F2109-F2143 AromaticContact CZ-CE2 3.69Å; F2109-F2143 HydrophobicContact CZ-CE2 3.69Å; L2136-F2143 HydrophobicContact CD2-CD1 4.25Å; L2136-F2143 HydrophobicContact CD2-CE1 4.41Å; V2139-F2143 WeakPolarHBondContact O-CB 3.28Å; V2139-F2143 PolarHBondContact O-N 3.11Å; L2140-F2143 HydrophobicContact CD1-CD1 4.18Å; L2140-F2143 PolarHBondContact O-N 3.02Å; P2141-F2143 VanDerWaalsContact C-N 3.33Å; P2141-F2143 PolarHBondContact O-N 3.1Å; F2143-N2145 VanDerWaalsContact C-N 3.34Å; F2143-I2146 PolarHBondContact O-N 3.06Å; F2143-I2147 HydrophobicContact CD1-CD1 4.14Å; F2143-I2147 HydrophobicContact CD2-CD1 4.38Å; F2143-I2147 HydrophobicContact CE1-CD1 3.66Å; F2143-I2147 HydrophobicContact CE2-CD1 3.91Å; F2143-I2147 HydrophobicContact CE2-CG1 4.34Å; F2143-I2147 HydrophobicContact CG-CD1 4.48Å; F2143-I2147 HydrophobicContact CZ-CD1 3.55Å; F2143-I2147 HydrophobicContact CZ-CG1 4.43Å; F2143-I2147 WeakPolarHBondContact O-CG1 3.45Å; F2143-I2147 PolarHBondContact O-N 3.28Å; F2143-I2147 VanDerWaalsContact O-N 3.14Å; F2143-L2180 HydrophobicContact CE2-CD2 3.74Å; F2143-L2180 HydrophobicContact CZ-CD2 3.75Å; F2143-L2180 HydrophobicContact CZ-CG 4.19Å; F2143-L2181 HydrophobicContact CE1-CD1 4.15Å; F2143-I2184 HydrophobicContact CE1-CD1 4.2Å; F2143-I2184 HydrophobicContact CZ-CD1 4.12Å |
| 2144 | L | 85.7 | Confident | 85.4 | Confident | 5.66667 Ų | 5.66667 | 27.7 Ų | 27.7 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.7 | -69.4 | 175.5 | 0 | 0 | 0 | 111.4 | L2140 P2141 I2146 I2147 L2148 L2200 D2222 I2223 L2226 | L2140-L2144 HydrophobicContact CD1-CD1 4.33Å; L2140-L2144 HydrophobicContact CD1-CD2 4.46Å; L2140-L2144 HydrophobicContact CD1-CG 4.12Å; L2140-L2144 HydrophobicContact CG-CD1 4.2Å; L2140-L2144 HydrophobicContact CG-CG 4.41Å; L2140-L2144 WeakPolarHBondContact O-CG 3.35Å; L2140-L2144 PolarHBondContact O-N 2.94Å; P2141-L2144 PolarHBondContact O-N 3.22Å; L2144-I2146 VanDerWaalsContact C-N 3.34Å; L2144-I2146 PolarHBondContact O-N 3.07Å; L2144-I2147 WeakPolarHBondContact O-CB 3.35Å; L2144-I2147 PolarHBondContact O-N 2.93Å; L2144-I2147 VanDerWaalsContact O-N 3.16Å; L2144-L2148 WeakPolarHBondContact O-CB 3.43Å; L2144-L2148 WeakPolarHBondContact O-CG 3.38Å; L2144-L2148 PolarHBondContact O-N 2.94Å; L2144-L2200 HydrophobicContact CD1-CD2 3.96Å; L2144-D2222 HydrophobicContact CB-CB 4.19Å; L2144-D2222 HydrophobicContact CD1-CB 4.26Å; L2144-I2223 HydrophobicContact CD1-CG1 3.71Å; L2144-L2226 HydrophobicContact CD2-CD1 4.3Å; L2144-L2226 HydrophobicContact CD2-CD2 3.93Å |
| 2145 | N | 85 | Confident | 85.2 | Confident | 42.3333 Ų | 42.3333 | 23.2 Ų | 23.2 | 23% | 0.226 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | 176.3 | -80.4 | -54.5 | 0 | 0 | 0 | 113.3 | I2095 P2141 N2142 F2143 L2148 T2149 D2222 | I2095-N2145 HydrophobicContact CD1-CB 3.41Å; I2095-N2145 VanDerWaalsContact CD1-CB 3.43Å; I2095-N2145 HydrophobicContact CG1-CB 4.24Å; P2141-N2145 WeakPolarHBondContact O-CB 3.34Å; P2141-N2145 PolarHBondContact O-N 3.32Å; P2141-N2145 PolarHBondContact O-ND2 3.05Å; N2142-N2145 PolarHBondContact O-N 3.22Å; F2143-N2145 VanDerWaalsContact C-N 3.34Å; N2145-L2148 PolarHBondContact O-N 3.23Å; N2145-T2149 WeakPolarHBondContact O-CB 3.21Å; N2145-T2149 WeakPolarHBondContact O-CG2 3.3Å; N2145-T2149 PolarHBondContact O-N 3.33Å; N2145-T2149 PolarHBondContact O-OG1 3.1Å; N2145-D2222 PolarHBondContact ND2-OD2 3.08Å; N2145-D2222 PolarHBondContact OD1-OD1 3.05Å |
| 2146 | I | 86.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 173 | -67.9 | 163.2 | 0 | 0 | 0 | 110.3 | L2091 I2095 W2105 F2109 N2142 F2143 L2144 T2149 F2150 | L2091-I2146 HydrophobicContact CD2-CD1 4.37Å; I2095-I2146 HydrophobicContact CG1-CG1 4.4Å; W2105-I2146 HydrophobicContact CD2-CD1 4.1Å; W2105-I2146 HydrophobicContact CD2-CG1 4.47Å; W2105-I2146 HydrophobicContact CD2-CG2 4.19Å; W2105-I2146 HydrophobicContact CE3-CD1 4.33Å; W2105-I2146 HydrophobicContact CE3-CG1 4.24Å; W2105-I2146 HydrophobicContact CE3-CG2 3.67Å; W2105-I2146 HydrophobicContact CH2-CD1 4.23Å; W2105-I2146 HydrophobicContact CH2-CG1 4.08Å; W2105-I2146 HydrophobicContact CZ2-CD1 3.98Å; W2105-I2146 HydrophobicContact CZ2-CG1 4.34Å; W2105-I2146 HydrophobicContact CZ3-CD1 4.39Å; W2105-I2146 HydrophobicContact CZ3-CG1 4.01Å; W2105-I2146 HydrophobicContact CZ3-CG2 4.05Å; F2109-I2146 HydrophobicContact CE2-CG2 4.06Å; F2109-I2146 HydrophobicContact CZ-CG2 3.92Å; N2142-I2146 VanDerWaalsContact O-CG1 3.28Å; N2142-I2146 WeakPolarHBondContact O-CG1 3.44Å; N2142-I2146 PolarHBondContact O-N 2.98Å; F2143-I2146 PolarHBondContact O-N 3.06Å; L2144-I2146 VanDerWaalsContact C-N 3.34Å; L2144-I2146 PolarHBondContact O-N 3.07Å; I2146-T2149 WeakPolarHBondContact CA-OG1 3.26Å; I2146-T2149 PolarHBondContact O-N 3.11Å; I2146-T2149 PolarHBondContact O-OG1 3.16Å; I2146-T2149 VanDerWaalsContact O-OG1 3.07Å; I2146-F2150 HydrophobicContact CG2-CD2 4.1Å; I2146-F2150 HydrophobicContact CG2-CE1 4.43Å; I2146-F2150 HydrophobicContact CG2-CE2 3.76Å; I2146-F2150 HydrophobicContact CG2-CZ 3.98Å; I2146-F2150 WeakPolarHBondContact O-CG 3.31Å; I2146-F2150 PolarHBondContact O-N 3.1Å |
| 2147 | I | 87.4 | Confident | 84.2 | Confident | 0.333333 Ų | 0.333333 | 28 Ų | 28 | 0% | 0.002 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 177.8 | -66.9 | 166.4 | 0 | 0 | 0 | 110.7 | F2143 L2144 T2149 F2150 I2151 A2177 L2178 L2181 L2226 | F2143-I2147 HydrophobicContact CD1-CD1 4.14Å; F2143-I2147 HydrophobicContact CD2-CD1 4.38Å; F2143-I2147 HydrophobicContact CE1-CD1 3.66Å; F2143-I2147 HydrophobicContact CE2-CD1 3.91Å; F2143-I2147 HydrophobicContact CE2-CG1 4.34Å; F2143-I2147 HydrophobicContact CG-CD1 4.48Å; F2143-I2147 HydrophobicContact CZ-CD1 3.55Å; F2143-I2147 HydrophobicContact CZ-CG1 4.43Å; F2143-I2147 WeakPolarHBondContact O-CG1 3.45Å; F2143-I2147 PolarHBondContact O-N 3.28Å; F2143-I2147 VanDerWaalsContact O-N 3.14Å; L2144-I2147 WeakPolarHBondContact O-CB 3.35Å; L2144-I2147 PolarHBondContact O-N 2.93Å; L2144-I2147 VanDerWaalsContact O-N 3.16Å; I2147-T2149 VanDerWaalsContact C-N 3.34Å; I2147-T2149 PolarHBondContact O-N 3.07Å; I2147-F2150 PolarHBondContact O-N 3.13Å; I2147-I2151 HydrophobicContact CG2-CD1 3.8Å; I2147-I2151 HydrophobicContact CG2-CG1 4.44Å; I2147-I2151 WeakPolarHBondContact O-CG1 3.36Å; I2147-I2151 PolarHBondContact O-N 3.19Å; I2147-A2177 HydrophobicContact CG1-CB 3.94Å; I2147-L2178 HydrophobicContact CG2-CD2 4.19Å; I2147-L2181 HydrophobicContact CD1-CB 4.26Å; I2147-L2181 HydrophobicContact CD1-CD1 4.42Å; I2147-L2181 HydrophobicContact CD1-CD2 4.28Å; I2147-L2181 HydrophobicContact CD1-CG 4.49Å; I2147-L2226 HydrophobicContact CB-CD1 4.35Å; I2147-L2226 HydrophobicContact CG2-CD1 3.92Å |
| 2148 | L | 86.8 | Confident | 83.7 | Confident | 4.66667 Ų | 4.66667 | 28.8 Ų | 28.8 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 179.1 | -78.4 | 167.6 | 0 | 0 | 0 | 111.8 | L2144 N2145 F2150 I2151 D2152 D2222 Y2225 L2226 | L2144-L2148 WeakPolarHBondContact O-CB 3.43Å; L2144-L2148 WeakPolarHBondContact O-CG 3.38Å; L2144-L2148 PolarHBondContact O-N 2.94Å; N2145-L2148 PolarHBondContact O-N 3.23Å; L2148-F2150 VanDerWaalsContact C-N 3.34Å; L2148-F2150 PolarHBondContact O-N 3.02Å; L2148-I2151 WeakPolarHBondContact O-CB 3.43Å; L2148-I2151 PolarHBondContact O-N 3.22Å; L2148-I2151 VanDerWaalsContact O-N 3.15Å; L2148-D2152 PolarHBondContact O-N 3.04Å; L2148-D2222 HydrophobicContact CD1-CB 4.28Å; L2148-Y2225 HydrophobicContact CD1-CD1 3.71Å; L2148-Y2225 HydrophobicContact CD1-CE1 4.39Å; L2148-Y2225 HydrophobicContact CD2-CD1 3.41Å; L2148-Y2225 VanDerWaalsContact CD2-CD1 3.44Å; L2148-Y2225 HydrophobicContact CD2-CE1 3.69Å; L2148-Y2225 HydrophobicContact CD2-CG 4.47Å; L2148-Y2225 HydrophobicContact CG-CD1 4.08Å; L2148-Y2225 HydrophobicContact CG-CE1 4.43Å; L2148-L2226 HydrophobicContact CD1-CB 4.42Å; L2148-L2226 VanDerWaalsContact CD2-CA 3.47Å; L2148-L2226 HydrophobicContact CD2-CB 3.68Å; L2148-L2226 HydrophobicContact CD2-CD1 3.87Å; L2148-L2226 HydrophobicContact CD2-CG 4.23Å; L2148-L2226 HydrophobicContact CG-CB 4.16Å; L2148-L2226 HydrophobicContact CG-CD1 4.08Å |
| 2149 | T | 84.8 | Confident | 82.9 | Confident | 34.6667 Ų | 34.6667 | 27.6 Ų | 27.6 | 21% | 0.213 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.3 | -33.8 | 180 | 22.6 | 0 | 0 | 0 | 0 | 112.8 | I2095 I2098 N2145 I2146 I2147 R2153 | I2095-T2149 HydrophobicContact CG2-CG2 3.7Å; I2095-T2149 WeakPolarHBondContact CG2-OG1 3.36Å; I2098-T2149 HydrophobicContact CD1-CG2 3.7Å; I2098-T2149 VanDerWaalsContact CD1-OG1 3.24Å; I2098-T2149 WeakPolarHBondContact CD1-OG1 3.47Å; N2145-T2149 WeakPolarHBondContact O-CB 3.21Å; N2145-T2149 WeakPolarHBondContact O-CG2 3.3Å; N2145-T2149 PolarHBondContact O-N 3.33Å; N2145-T2149 PolarHBondContact O-OG1 3.1Å; I2146-T2149 WeakPolarHBondContact CA-OG1 3.26Å; I2146-T2149 PolarHBondContact O-N 3.11Å; I2146-T2149 PolarHBondContact O-OG1 3.16Å; I2146-T2149 VanDerWaalsContact O-OG1 3.07Å; I2147-T2149 VanDerWaalsContact C-N 3.34Å; I2147-T2149 PolarHBondContact O-N 3.07Å; T2149-R2153 HydrophobicContact CG2-CG 4.45Å; T2149-R2153 VanDerWaalsContact O-CB 3.31Å; T2149-R2153 WeakPolarHBondContact O-CB 3.37Å; T2149-R2153 WeakPolarHBondContact O-CG 3.35Å; T2149-R2153 PolarHBondContact O-N 3.18Å |
| 2150 | F | 87.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 170.4 | -75.9 | -17.2 | 0 | 0 | 0 | 112.3 | I2098 A2102 W2105 F2109 I2146 I2147 L2148 A2154 F2170 H2173 A2174 A2177 | I2098-F2150 HydrophobicContact CD1-CD1 3.56Å; I2098-F2150 VanDerWaalsContact CD1-CD1 3.47Å; I2098-F2150 HydrophobicContact CD1-CE1 3.66Å; I2098-F2150 HydrophobicContact CG1-CD1 4.02Å; I2098-F2150 HydrophobicContact CG1-CE1 3.63Å; I2098-F2150 HydrophobicContact CG2-CD1 4.12Å; I2098-F2150 HydrophobicContact CG2-CE1 3.87Å; A2102-F2150 HydrophobicContact CB-CE1 3.79Å; A2102-F2150 HydrophobicContact CB-CZ 4.02Å; W2105-F2150 HydrophobicContact CB-CZ 4.31Å; W2105-F2150 HydrophobicContact CE3-CE1 4.21Å; W2105-F2150 AromaticContact CE3-CZ 3.83Å; W2105-F2150 HydrophobicContact CE3-CZ 3.83Å; W2105-F2150 HydrophobicContact CZ3-CE1 4.45Å; W2105-F2150 HydrophobicContact CZ3-CZ 4.48Å; F2109-F2150 HydrophobicContact CD2-CE2 4.48Å; F2109-F2150 AromaticContact CE2-CE2 3.9Å; F2109-F2150 HydrophobicContact CE2-CE2 3.9Å; I2146-F2150 HydrophobicContact CG2-CD2 4.1Å; I2146-F2150 HydrophobicContact CG2-CE1 4.43Å; I2146-F2150 HydrophobicContact CG2-CE2 3.76Å; I2146-F2150 HydrophobicContact CG2-CZ 3.98Å; I2146-F2150 WeakPolarHBondContact O-CG 3.31Å; I2146-F2150 PolarHBondContact O-N 3.1Å; I2147-F2150 PolarHBondContact O-N 3.13Å; L2148-F2150 VanDerWaalsContact C-N 3.34Å; L2148-F2150 PolarHBondContact O-N 3.02Å; F2150-A2154 VanDerWaalsContact O-CB 3.23Å; F2150-A2154 WeakPolarHBondContact O-CB 3.4Å; F2150-A2154 PolarHBondContact O-N 3.3Å; F2150-F2170 AromaticContact CD1-CD1 3.77Å; F2150-F2170 HydrophobicContact CD1-CD1 3.77Å; F2150-F2170 AromaticContact CD1-CE1 3.86Å; F2150-F2170 HydrophobicContact CD1-CE1 3.93Å; F2150-F2170 HydrophobicContact CE1-CD1 4.24Å; F2150-F2170 AromaticContact CE1-CE1 3.98Å; F2150-F2170 HydrophobicContact CE1-CE1 4.04Å; F2150-H2173 HydrophobicContact CD1-CB 4.32Å; F2150-H2173 HydrophobicContact CD2-CB 3.99Å; F2150-H2173 HydrophobicContact CE1-CB 4.27Å; F2150-H2173 HydrophobicContact CE2-CB 3.93Å; F2150-H2173 HydrophobicContact CG-CB 4.18Å; F2150-H2173 HydrophobicContact CZ-CB 4.08Å; F2150-A2174 HydrophobicContact CB-CB 4.01Å; F2150-A2177 HydrophobicContact CD2-CB 4.02Å; F2150-A2177 HydrophobicContact CE2-CB 4.43Å |
| 2151 | I | 86.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -50.4 | 176.5 | -68.2 | 166.5 | 0 | 0 | 0 | 110.2 | I2147 L2148 R2153 A2154 E2155 A2174 L2178 L2226 R2229 L2230 L2233 | I2147-I2151 HydrophobicContact CG2-CD1 3.8Å; I2147-I2151 HydrophobicContact CG2-CG1 4.44Å; I2147-I2151 WeakPolarHBondContact O-CG1 3.36Å; I2147-I2151 PolarHBondContact O-N 3.19Å; L2148-I2151 WeakPolarHBondContact O-CB 3.43Å; L2148-I2151 PolarHBondContact O-N 3.22Å; L2148-I2151 VanDerWaalsContact O-N 3.15Å; I2151-R2153 VanDerWaalsContact C-N 3.32Å; I2151-R2153 PolarHBondContact O-N 3.01Å; I2151-A2154 WeakPolarHBondContact O-CB 3.28Å; I2151-A2154 PolarHBondContact O-N 3.12Å; I2151-A2154 VanDerWaalsContact O-N 3.14Å; I2151-E2155 HydrophobicContact CG2-CG 4.47Å; I2151-E2155 WeakPolarHBondContact O-CG 3.32Å; I2151-E2155 PolarHBondContact O-N 3.25Å; I2151-A2174 HydrophobicContact CG1-CB 4.39Å; I2151-L2178 HydrophobicContact CD1-CD2 4.15Å; I2151-L2226 HydrophobicContact CD1-CD1 3.92Å; I2151-R2229 HydrophobicContact CG2-CG 4.15Å; I2151-L2230 HydrophobicContact CD1-CD2 4.09Å; I2151-L2233 HydrophobicContact CG2-CD1 3.4Å; I2151-L2233 VanDerWaalsContact CG2-CD1 3.41Å |
| 2152 | D | 84.5 | Confident | 78 | Confident | 35.3333 Ų | 35.3333 | 39.3 Ų | 39.3 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | -177.3 | -74.3 | -26.8 | 0 | 0 | 0 | 112.1 | L2148 E2155 L2156 Y2225 R2229 | L2148-D2152 PolarHBondContact O-N 3.04Å; D2152-E2155 PolarHBondContact O-N 3.12Å; D2152-L2156 WeakPolarHBondContact O-CB 3.29Å; D2152-L2156 VanDerWaalsContact O-CG 3.24Å; D2152-L2156 WeakPolarHBondContact O-CG 3.32Å; D2152-L2156 PolarHBondContact O-N 3.13Å; D2152-Y2225 PolarHBondContact OD2-OH 2.96Å; D2152-R2229 IonicContact OD1-CZ 3.02Å; D2152-R2229 IonicContact OD1-NE 3.18Å; D2152-R2229 PolarHBondContact OD1-NE 3.35Å; D2152-R2229 IonicContact OD1-NH2 3.2Å; D2152-R2229 PolarHBondContact OD1-NH2 3.31Å |
| 2153 | R | 81.6 | Confident | 76 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 173.8 | -73.9 | -176.6 | 168.3 | -153.4 | -1.6 | 113.1 | I2098 D2099 T2149 I2151 E2155 L2156 E2157 F2170 | I2098-R2153 VanDerWaalsContact CG2-NH1 3.28Å; D2099-R2153 IonicContact OD1-CZ 3.28Å; D2099-R2153 IonicContact OD1-NH1 3.52Å; D2099-R2153 PolarHBondContact OD1-NH1 3.06Å; D2099-R2153 IonicContact OD1-NH2 3.42Å; D2099-R2153 IonicContact OD2-CZ 3.02Å; D2099-R2153 IonicContact OD2-NH1 3.45Å; D2099-R2153 PolarHBondContact OD2-NH1 3.04Å; D2099-R2153 IonicContact OD2-NH2 3.18Å; D2099-R2153 PolarHBondContact OD2-NH2 3.27Å; D2099-R2153 VanDerWaalsContact OD2-NH2 3.13Å; T2149-R2153 HydrophobicContact CG2-CG 4.45Å; T2149-R2153 VanDerWaalsContact O-CB 3.31Å; T2149-R2153 WeakPolarHBondContact O-CB 3.37Å; T2149-R2153 WeakPolarHBondContact O-CG 3.35Å; T2149-R2153 PolarHBondContact O-N 3.18Å; I2151-R2153 VanDerWaalsContact C-N 3.32Å; I2151-R2153 PolarHBondContact O-N 3.01Å; R2153-E2155 VanDerWaalsContact C-N 3.33Å; R2153-E2155 PolarHBondContact O-N 3.05Å; R2153-L2156 PolarHBondContact O-N 3.05Å; R2153-E2157 WeakPolarHBondContact O-CG 3.42Å; R2153-E2157 PolarHBondContact O-N 3.18Å; R2153-F2170 HydrophobicContact CB-CB 4.24Å; R2153-F2170 HydrophobicContact CB-CD1 4.12Å; R2153-F2170 HydrophobicContact CB-CD2 4.05Å; R2153-F2170 HydrophobicContact CB-CE1 4.47Å; R2153-F2170 HydrophobicContact CB-CE2 4.47Å; R2153-F2170 HydrophobicContact CB-CG 3.86Å; R2153-F2170 VanDerWaalsContact NH1-CZ 3.32Å |
| 2154 | A | 82.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F2150 I2151 L2156 E2157 I2158 F2170 A2174 Y2261 | F2150-A2154 VanDerWaalsContact O-CB 3.23Å; F2150-A2154 WeakPolarHBondContact O-CB 3.4Å; F2150-A2154 PolarHBondContact O-N 3.3Å; I2151-A2154 WeakPolarHBondContact O-CB 3.28Å; I2151-A2154 PolarHBondContact O-N 3.12Å; I2151-A2154 VanDerWaalsContact O-N 3.14Å; A2154-L2156 PolarHBondContact O-N 2.92Å; A2154-E2157 WeakPolarHBondContact O-CB 3.38Å; A2154-E2157 PolarHBondContact O-N 2.9Å; A2154-E2157 VanDerWaalsContact O-N 3.17Å; A2154-I2158 WeakPolarHBondContact O-CD1 3.19Å; A2154-I2158 VanDerWaalsContact O-CG1 3.28Å; A2154-I2158 WeakPolarHBondContact O-CG1 3.19Å; A2154-I2158 PolarHBondContact O-N 2.96Å; A2154-F2170 HydrophobicContact CB-CB 4.11Å; A2154-A2174 HydrophobicContact CB-CB 4.42Å; A2154-Y2261 HydrophobicContact CB-CE1 4.27Å; A2154-Y2261 HydrophobicContact CB-CE2 4.43Å |
| 2155 | E | 82.7 | Confident | 71.8 | Confident | 17.6667 Ų | 17.6667 | 60 Ų | 60 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -33.7 | 177.2 | -64.9 | -60.2 | 144.2 | 0 | 0 | 112.6 | I2151 D2152 R2153 E2157 I2158 S2159 L2233 Y2261 R2262 | I2151-E2155 HydrophobicContact CG2-CG 4.47Å; I2151-E2155 WeakPolarHBondContact O-CG 3.32Å; I2151-E2155 PolarHBondContact O-N 3.25Å; D2152-E2155 PolarHBondContact O-N 3.12Å; R2153-E2155 VanDerWaalsContact C-N 3.33Å; R2153-E2155 PolarHBondContact O-N 3.05Å; E2155-E2157 VanDerWaalsContact C-N 3.34Å; E2155-I2158 PolarHBondContact O-N 3.32Å; E2155-S2159 VanDerWaalsContact O-CB 3.31Å; E2155-S2159 WeakPolarHBondContact O-CB 3.39Å; E2155-S2159 PolarHBondContact O-N 3.21Å; E2155-S2159 PolarHBondContact O-OG 2.93Å; E2155-L2233 VanDerWaalsContact CD-CD2 3.43Å; E2155-L2233 HydrophobicContact CG-CD1 3.9Å; E2155-L2233 HydrophobicContact CG-CD2 3.7Å; E2155-L2233 HydrophobicContact CG-CG 4.48Å; E2155-Y2261 VanDerWaalsContact OE1-CE1 3.3Å; E2155-Y2261 WeakPolarHBondContact OE1-CE1 3.44Å; E2155-Y2261 PolarHBondContact OE1-OH 2.77Å; E2155-R2262 IonicContact OE1-CZ 3.28Å; E2155-R2262 IonicContact OE1-NH1 2.84Å; E2155-R2262 PolarHBondContact OE1-NH1 3.15Å; E2155-R2262 IonicContact OE1-NH2 3.42Å; E2155-R2262 PolarHBondContact OE1-NH2 3.34Å; E2155-R2262 IonicContact OE2-CZ 3.42Å; E2155-R2262 IonicContact OE2-NH1 3.51Å; E2155-R2262 PolarHBondContact OE2-NH1 2.86Å; E2155-R2262 IonicContact OE2-NH2 3.36Å; E2155-R2262 PolarHBondContact OE2-NH2 3.22Å |
| 2156 | L | 79.2 | Confident | 69.9 | Low | 94 Ų | 94 | 64.8 Ų | 64.8 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 170.6 | -74.4 | 168.5 | 0 | 0 | 0 | 112.3 | D2152 R2153 A2154 S2159 K2160 | D2152-L2156 WeakPolarHBondContact O-CB 3.29Å; D2152-L2156 VanDerWaalsContact O-CG 3.24Å; D2152-L2156 WeakPolarHBondContact O-CG 3.32Å; D2152-L2156 PolarHBondContact O-N 3.13Å; R2153-L2156 PolarHBondContact O-N 3.05Å; A2154-L2156 PolarHBondContact O-N 2.92Å; L2156-S2159 WeakPolarHBondContact CA-OG 3.42Å; L2156-S2159 PolarHBondContact O-OG 3.47Å; L2156-K2160 WeakPolarHBondContact O-CB 3.28Å; L2156-K2160 VanDerWaalsContact O-CG 3.29Å; L2156-K2160 WeakPolarHBondContact O-CG 3.45Å; L2156-K2160 PolarHBondContact O-N 3.25Å |
| 2157 | E | 73.5 | Confident | 68.4 | Low | 40.6667 Ų | 40.6667 | 67.4 Ų | 67.4 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -51.4 | 172.8 | -76.5 | -173.5 | 155.9 | 0 | 0 | 110.5 | R2153 A2154 E2155 S2159 K2160 E2161 K2169 F2170 | R2153-E2157 WeakPolarHBondContact O-CG 3.42Å; R2153-E2157 PolarHBondContact O-N 3.18Å; A2154-E2157 WeakPolarHBondContact O-CB 3.38Å; A2154-E2157 PolarHBondContact O-N 2.9Å; A2154-E2157 VanDerWaalsContact O-N 3.17Å; E2155-E2157 VanDerWaalsContact C-N 3.34Å; E2157-S2159 VanDerWaalsContact C-N 3.31Å; E2157-S2159 PolarHBondContact O-N 3.37Å; E2157-K2160 PolarHBondContact O-N 3.41Å; E2157-K2160 VanDerWaalsContact O-N 3.14Å; E2157-E2161 WeakPolarHBondContact O-CB 3.28Å; E2157-E2161 PolarHBondContact O-N 3.11Å; E2157-K2169 PolarHBondContact OE2-N 3.08Å; E2157-F2170 HydrophobicContact CG-CD2 4.45Å; E2157-F2170 WeakPolarHBondContact OE1-CD2 3.39Å; E2157-F2170 WeakPolarHBondContact OE2-CB 3.48Å; E2157-F2170 PolarHBondContact OE2-N 3.13Å |
| 2158 | I | 74.2 | Confident | 67.5 | Low | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | -179 | -64.8 | 164.1 | 0 | 0 | 0 | 111.4 | A2154 E2155 K2160 E2161 I2258 Y2261 | A2154-I2158 WeakPolarHBondContact O-CD1 3.19Å; A2154-I2158 VanDerWaalsContact O-CG1 3.28Å; A2154-I2158 WeakPolarHBondContact O-CG1 3.19Å; A2154-I2158 PolarHBondContact O-N 2.96Å; E2155-I2158 PolarHBondContact O-N 3.32Å; I2158-K2160 PolarHBondContact O-N 3.05Å; I2158-E2161 WeakPolarHBondContact O-CB 3.38Å; I2158-E2161 PolarHBondContact O-N 3.29Å; I2158-I2258 HydrophobicContact CD1-CG2 4.35Å; I2158-Y2261 HydrophobicContact CD1-CD1 4.16Å; I2158-Y2261 HydrophobicContact CD1-CE1 3.96Å |
| 2159 | S | 68.8 | Low | 67 | Low | 89.6667 Ų | 89.6667 | 74.5 Ų | 74.5 | 63% | 0.627 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.4 | -26.9 | -178.8 | -28.1 | 0 | 0 | 0 | 0 | 113.4 | E2155 L2156 E2157 E2161 | E2155-S2159 VanDerWaalsContact O-CB 3.31Å; E2155-S2159 WeakPolarHBondContact O-CB 3.39Å; E2155-S2159 PolarHBondContact O-N 3.21Å; E2155-S2159 PolarHBondContact O-OG 2.93Å; L2156-S2159 WeakPolarHBondContact CA-OG 3.42Å; L2156-S2159 PolarHBondContact O-OG 3.47Å; E2157-S2159 VanDerWaalsContact C-N 3.31Å; E2157-S2159 PolarHBondContact O-N 3.37Å; S2159-E2161 VanDerWaalsContact C-N 3.29Å |
| 2160 | K | 59.7 | Low | 66.9 | Low | 127 Ų | 127 | 73.8 Ų | 73.8 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -90.3 | -7.4 | -179.7 | -70.4 | 177.7 | -178.7 | -178.8 | 0 | 113.6 | N1464 L2156 E2157 I2158 S2162 K2163 | N1464-K2160 PolarHBondContact OD1-NZ 3.39Å; L2156-K2160 WeakPolarHBondContact O-CB 3.28Å; L2156-K2160 VanDerWaalsContact O-CG 3.29Å; L2156-K2160 WeakPolarHBondContact O-CG 3.45Å; L2156-K2160 PolarHBondContact O-N 3.25Å; E2157-K2160 PolarHBondContact O-N 3.41Å; E2157-K2160 VanDerWaalsContact O-N 3.14Å; I2158-K2160 PolarHBondContact O-N 3.05Å; K2160-S2162 PolarHBondContact O-N 3.28Å; K2160-K2163 PolarHBondContact O-N 2.91Å |
| 2161 | E | 47.8 | Very low | 66.7 | Low | 65.6667 Ų | 65.6667 | 73.8 Ų | 73.8 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 5 | -171.9 | -97.1 | -177.5 | 153.9 | 0 | 0 | 115.6 | E2157 I2158 S2159 K2163 Y2164 V2168 I2258 | E2157-E2161 WeakPolarHBondContact O-CB 3.28Å; E2157-E2161 PolarHBondContact O-N 3.11Å; I2158-E2161 WeakPolarHBondContact O-CB 3.38Å; I2158-E2161 PolarHBondContact O-N 3.29Å; S2159-E2161 VanDerWaalsContact C-N 3.29Å; E2161-K2163 VanDerWaalsContact C-N 3.29Å; E2161-K2163 PolarHBondContact O-N 3.04Å; E2161-Y2164 WeakPolarHBondContact CG-O 3.01Å; E2161-V2168 VanDerWaalsContact OE1-CG2 3.31Å; E2161-V2168 WeakPolarHBondContact OE1-CG2 3.22Å; E2161-I2258 WeakPolarHBondContact OE2-CD1 3.31Å |
| 2162 | S | 42.1 | Very low | 66.6 | Low | 110.333 Ų | 110.333 | 75 Ų | 75 | 77% | 0.772 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12.2 | 168 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | K2160 | K2160-S2162 PolarHBondContact O-N 3.28Š|
| 2163 | K | 42.7 | Very low | 66.8 | Low | 172.667 Ų | 172.667 | 74.1 Ų | 74.1 | 75% | 0.751 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | -21.7 | -176.5 | -71.8 | -176.2 | -179.7 | 174.7 | 0 | 118 | K2160 E2161 | K2160-K2163 PolarHBondContact O-N 2.91Å; E2161-K2163 VanDerWaalsContact C-N 3.29Å; E2161-K2163 PolarHBondContact O-N 3.04Å |
| 2164 | Y | 39.8 | Very low | 67.1 | Low | 155 Ų | 155 | 71.2 Ų | 71.2 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | trans | -129.1 | 112.6 | -177.5 | -66.6 | -81.1 | 0 | 0 | 0 | 111.2 | E2161 H2166 | E2161-Y2164 WeakPolarHBondContact CG-O 3.01Å; Y2164-H2166 PolarHBondContact O-N 3.44Å | ||
| 2165 | R | 43.3 | Very low | 67.5 | Low | 175.333 Ų | 175.333 | 74.7 Ų | 74.7 | 66% | 0.662 | 36% | 0.363 | S | S | * | . | trans | -75 | 54.3 | -177.2 | -74.2 | -178.5 | 174.4 | 176.3 | -4.3 | 112.3 | R2248 S2250 | R2165-R2248 PolarHBondContact NH2-O 3.21Å; R2165-S2250 PolarHBondContact NH1-OG 2.9Å; R2165-S2250 PolarHBondContact NH2-OG 3.12Å | ||
| 2166 | H | 45.6 | Very low | 67.8 | Low | 144.667 Ų | 144.667 | 74.2 Ų | 74.2 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | trans | -144.3 | 46.2 | 176.4 | -69.5 | -29 | 0 | 0 | 0 | 117 | Y2164 V2168 | Y2164-H2166 PolarHBondContact O-N 3.44Å; H2166-V2168 PolarHBondContact O-N 3.14Å | ||
| 2167 | S | 55.3 | Low | 68.4 | Low | 53.6667 Ų | 53.6667 | 69.7 Ų | 69.7 | 38% | 0.375 | 34% | 0.337 | S | S | . | . | trans | -107.9 | 93.5 | 174.4 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | K2169 | S2167-K2169 PolarHBondContact O-N 3.12Å; S2167-K2169 VanDerWaalsContact OG-CD 3.29Å; S2167-K2169 WeakPolarHBondContact OG-CD 3.46Å; S2167-K2169 WeakPolarHBondContact OG-CE 3.44Å; S2167-K2169 WeakPolarHBondContact OG-CG 3.38Å | ||
| 2168 | V | 67.6 | Low | 69.1 | Low | 19 Ų | 19 | 67.8 Ų | 67.8 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | trans | -81.9 | 46.3 | 168.4 | -160.7 | 0 | 0 | 0 | 0 | 109.9 | E2161 H2166 C2171 V2257 I2258 | E2161-V2168 VanDerWaalsContact OE1-CG2 3.31Å; E2161-V2168 WeakPolarHBondContact OE1-CG2 3.22Å; H2166-V2168 PolarHBondContact O-N 3.14Å; V2168-C2171 HydrophobicContact CG1-CB 3.47Å; V2168-C2171 VanDerWaalsContact CG1-CB 3.45Å; V2168-C2171 WeakPolarHBondContact CG1-SG 3.4Å; V2168-V2257 HydrophobicContact CB-CG1 4.37Å; V2168-V2257 HydrophobicContact CG1-CG1 4.21Å; V2168-I2258 HydrophobicContact CG1-CD1 4.44Å; V2168-I2258 HydrophobicContact CG1-CG1 3.84Å; V2168-I2258 HydrophobicContact CG2-CD1 4.45Å | ||
| 2169 | K | 77.7 | Confident | 69.9 | Low | 135.333 Ų | 135.333 | 70.2 Ų | 70.2 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70.4 | -49.6 | -173 | -76.2 | 176.7 | -177.1 | 175.9 | 0 | 108.9 | E2157 S2167 C2171 A2172 H2173 | E2157-K2169 PolarHBondContact OE2-N 3.08Å; S2167-K2169 PolarHBondContact O-N 3.12Å; S2167-K2169 VanDerWaalsContact OG-CD 3.29Å; S2167-K2169 WeakPolarHBondContact OG-CD 3.46Å; S2167-K2169 WeakPolarHBondContact OG-CE 3.44Å; S2167-K2169 WeakPolarHBondContact OG-CG 3.38Å; K2169-C2171 VanDerWaalsContact C-N 3.28Å; K2169-C2171 PolarHBondContact O-N 3.09Å; K2169-A2172 WeakPolarHBondContact O-CB 3.29Å; K2169-A2172 PolarHBondContact O-N 2.8Å; K2169-A2172 VanDerWaalsContact O-N 3.1Å; K2169-H2173 VanDerWaalsContact C-ND1 3.32Å; K2169-H2173 PolarHBondContact O-CE1 3.41Å; K2169-H2173 PolarHBondContact O-N 3.25Å; K2169-H2173 PolarHBondContact O-ND1 3.45Å |
| 2170 | F | 82.8 | Confident | 71 | Confident | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.7 | -27.5 | -174.1 | -77.7 | -74.8 | 0 | 0 | 0 | 113 | I2098 D2099 A2102 F2150 R2153 A2154 E2157 A2172 H2173 A2174 | I2098-F2170 HydrophobicContact CD1-CE1 4.37Å; I2098-F2170 HydrophobicContact CG1-CE1 4.03Å; I2098-F2170 HydrophobicContact CG2-CE1 3.52Å; I2098-F2170 HydrophobicContact CG2-CZ 4Å; D2099-F2170 WeakPolarHBondContact OD1-CZ 3.34Å; A2102-F2170 HydrophobicContact CB-CE1 4.22Å; F2150-F2170 AromaticContact CD1-CD1 3.77Å; F2150-F2170 HydrophobicContact CD1-CD1 3.77Å; F2150-F2170 AromaticContact CD1-CE1 3.86Å; F2150-F2170 HydrophobicContact CD1-CE1 3.93Å; F2150-F2170 HydrophobicContact CE1-CD1 4.24Å; F2150-F2170 AromaticContact CE1-CE1 3.98Å; F2150-F2170 HydrophobicContact CE1-CE1 4.04Å; R2153-F2170 HydrophobicContact CB-CB 4.24Å; R2153-F2170 HydrophobicContact CB-CD1 4.12Å; R2153-F2170 HydrophobicContact CB-CD2 4.05Å; R2153-F2170 HydrophobicContact CB-CE1 4.47Å; R2153-F2170 HydrophobicContact CB-CE2 4.47Å; R2153-F2170 HydrophobicContact CB-CG 3.86Å; R2153-F2170 VanDerWaalsContact NH1-CZ 3.32Å; A2154-F2170 HydrophobicContact CB-CB 4.11Å; E2157-F2170 HydrophobicContact CG-CD2 4.45Å; E2157-F2170 WeakPolarHBondContact OE1-CD2 3.39Å; E2157-F2170 WeakPolarHBondContact OE2-CB 3.48Å; E2157-F2170 PolarHBondContact OE2-N 3.13Å; F2170-A2172 VanDerWaalsContact C-N 3.3Å; F2170-A2172 PolarHBondContact O-N 2.79Å; F2170-H2173 PolarHBondContact O-N 3.21Å; F2170-A2174 VanDerWaalsContact O-CB 3.3Å; F2170-A2174 WeakPolarHBondContact O-CB 3.37Å; F2170-A2174 PolarHBondContact O-N 3.32Å |
| 2171 | C | 83.6 | Confident | 72.4 | Confident | 0.333333 Ų | 0.333333 | 60.1 Ų | 60.1 | 0% | 0.002 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 171.5 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | V2168 K2169 R2175 V2257 Y2261 | V2168-C2171 HydrophobicContact CG1-CB 3.47Å; V2168-C2171 VanDerWaalsContact CG1-CB 3.45Å; V2168-C2171 WeakPolarHBondContact CG1-SG 3.4Å; K2169-C2171 VanDerWaalsContact C-N 3.28Å; K2169-C2171 PolarHBondContact O-N 3.09Å; C2171-R2175 VanDerWaalsContact O-CB 3.3Å; C2171-R2175 WeakPolarHBondContact O-CB 3.36Å; C2171-R2175 PolarHBondContact O-N 3.19Å; C2171-V2257 HydrophobicContact CB-CG1 3.88Å; C2171-Y2261 HydrophobicContact CB-CD1 4.29Å; C2171-Y2261 HydrophobicContact CB-CG 4.06Å |
| 2172 | A | 84 | Confident | 74.4 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K2169 F2170 R2175 V2176 V2257 | K2169-A2172 WeakPolarHBondContact O-CB 3.29Å; K2169-A2172 PolarHBondContact O-N 2.8Å; K2169-A2172 VanDerWaalsContact O-N 3.1Å; F2170-A2172 VanDerWaalsContact C-N 3.3Å; F2170-A2172 PolarHBondContact O-N 2.79Å; A2172-R2175 PolarHBondContact O-N 3.16Å; A2172-V2176 WeakPolarHBondContact O-CG2 3.37Å; A2172-V2176 PolarHBondContact O-N 3.07Å; A2172-V2257 HydrophobicContact CB-CG1 4.47Å |
| 2173 | H | 88.1 | Confident | 76.6 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 177.1 | -62.1 | 87.5 | 0 | 0 | 0 | 111.5 | A2102 Q2106 F2150 K2169 F2170 R2175 V2176 A2177 | A2102-H2173 PolarHBondContact O-CD2 3.4Å; A2102-H2173 VanDerWaalsContact O-CD2 3.28Å; Q2106-H2173 PolarHBondContact OE1-CD2 3.25Å; Q2106-H2173 PolarHBondContact OE1-NE2 3.36Å; F2150-H2173 HydrophobicContact CD1-CB 4.32Å; F2150-H2173 HydrophobicContact CD2-CB 3.99Å; F2150-H2173 HydrophobicContact CE1-CB 4.27Å; F2150-H2173 HydrophobicContact CE2-CB 3.93Å; F2150-H2173 HydrophobicContact CG-CB 4.18Å; F2150-H2173 HydrophobicContact CZ-CB 4.08Å; K2169-H2173 VanDerWaalsContact C-ND1 3.32Å; K2169-H2173 PolarHBondContact O-CE1 3.41Å; K2169-H2173 PolarHBondContact O-N 3.25Å; K2169-H2173 PolarHBondContact O-ND1 3.45Å; F2170-H2173 PolarHBondContact O-N 3.21Å; H2173-R2175 VanDerWaalsContact C-N 3.32Å; H2173-R2175 PolarHBondContact O-N 2.78Å; H2173-V2176 PolarHBondContact O-N 3.32Å; H2173-A2177 WeakPolarHBondContact O-CB 3.38Å; H2173-A2177 PolarHBondContact O-N 3.11Å |
| 2174 | A | 88.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2150 I2151 A2154 F2170 V2176 A2177 L2178 Y2261 | F2150-A2174 HydrophobicContact CB-CB 4.01Å; I2151-A2174 HydrophobicContact CG1-CB 4.39Å; A2154-A2174 HydrophobicContact CB-CB 4.42Å; F2170-A2174 VanDerWaalsContact O-CB 3.3Å; F2170-A2174 WeakPolarHBondContact O-CB 3.37Å; F2170-A2174 PolarHBondContact O-N 3.32Å; A2174-V2176 PolarHBondContact O-N 3.32Å; A2174-A2177 PolarHBondContact O-N 3.1Å; A2174-L2178 WeakPolarHBondContact O-CB 3.38Å; A2174-L2178 VanDerWaalsContact O-CG 3.29Å; A2174-L2178 WeakPolarHBondContact O-CG 3.3Å; A2174-L2178 PolarHBondContact O-N 3.14Å; A2174-Y2261 HydrophobicContact CB-CD2 3.88Å; A2174-Y2261 HydrophobicContact CB-CE2 3.49Å; A2174-Y2261 VanDerWaalsContact CB-CE2 3.46Å |
| 2175 | R | 89.7 | Confident | 80.8 | Confident | 73.3333 Ų | 73.3333 | 38.6 Ų | 38.6 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.3 | -48.5 | 175.2 | -177 | -176.1 | 66.7 | 83.5 | -0.6 | 112 | C2171 A2172 H2173 A2177 L2178 Q2179 A2264 | C2171-R2175 VanDerWaalsContact O-CB 3.3Å; C2171-R2175 WeakPolarHBondContact O-CB 3.36Å; C2171-R2175 PolarHBondContact O-N 3.19Å; A2172-R2175 PolarHBondContact O-N 3.16Å; H2173-R2175 VanDerWaalsContact C-N 3.32Å; H2173-R2175 PolarHBondContact O-N 2.78Å; R2175-A2177 VanDerWaalsContact C-N 3.34Å; R2175-L2178 PolarHBondContact O-N 3.29Å; R2175-Q2179 VanDerWaalsContact NH1-NE2 3.14Å; R2175-Q2179 VanDerWaalsContact O-CG 3.28Å; R2175-Q2179 WeakPolarHBondContact O-CG 3.35Å; R2175-Q2179 PolarHBondContact O-N 3.15Å; R2175-A2264 HydrophobicContact CB-CB 4.46Å; R2175-A2264 HydrophobicContact CG-CB 3.86Å |
| 2176 | V | 90 | Very high | 82.8 | Confident | 6.66667 Ų | 6.66667 | 32.8 Ų | 32.8 | 4% | 0.04 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 180 | 173 | 0 | 0 | 0 | 0 | 110.9 | Q2106 F2109 S2110 A2172 H2173 A2174 Q2179 L2180 | Q2106-V2176 HydrophobicContact CG-CB 4.24Å; Q2106-V2176 HydrophobicContact CG-CG1 4.19Å; Q2106-V2176 HydrophobicContact CG-CG2 4.1Å; F2109-V2176 HydrophobicContact CB-CG1 3.82Å; S2110-V2176 VanDerWaalsContact OG-CG1 3.26Å; S2110-V2176 WeakPolarHBondContact OG-CG1 3.33Å; A2172-V2176 WeakPolarHBondContact O-CG2 3.37Å; A2172-V2176 PolarHBondContact O-N 3.07Å; H2173-V2176 PolarHBondContact O-N 3.32Å; A2174-V2176 PolarHBondContact O-N 3.32Å; V2176-Q2179 PolarHBondContact O-N 3.22Å; V2176-L2180 PolarHBondContact O-N 2.98Å |
| 2177 | A | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2109 I2147 F2150 H2173 A2174 R2175 L2180 L2181 | F2109-A2177 HydrophobicContact CD2-CB 3.68Å; F2109-A2177 HydrophobicContact CE2-CB 3.72Å; I2147-A2177 HydrophobicContact CG1-CB 3.94Å; F2150-A2177 HydrophobicContact CD2-CB 4.02Å; F2150-A2177 HydrophobicContact CE2-CB 4.43Å; H2173-A2177 WeakPolarHBondContact O-CB 3.38Å; H2173-A2177 PolarHBondContact O-N 3.11Å; A2174-A2177 PolarHBondContact O-N 3.1Å; R2175-A2177 VanDerWaalsContact C-N 3.34Å; A2177-L2180 PolarHBondContact O-N 3.09Å; A2177-L2181 PolarHBondContact O-N 3Å |
| 2178 | L | 89.7 | Confident | 85.1 | Confident | 0.666667 Ų | 0.666667 | 26.3 Ų | 26.3 | 0% | 0.003 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 174.3 | -72.8 | 172 | 0 | 0 | 0 | 112.4 | I2147 I2151 A2174 R2175 L2181 V2182 L2230 Y2261 A2264 I2265 A2268 | I2147-L2178 HydrophobicContact CG2-CD2 4.19Å; I2151-L2178 HydrophobicContact CD1-CD2 4.15Å; A2174-L2178 WeakPolarHBondContact O-CB 3.38Å; A2174-L2178 VanDerWaalsContact O-CG 3.29Å; A2174-L2178 WeakPolarHBondContact O-CG 3.3Å; A2174-L2178 PolarHBondContact O-N 3.14Å; R2175-L2178 PolarHBondContact O-N 3.29Å; L2178-L2181 PolarHBondContact O-N 3.35Å; L2178-V2182 WeakPolarHBondContact O-CG2 3.14Å; L2178-V2182 PolarHBondContact O-N 3.16Å; L2178-L2230 HydrophobicContact CD2-CD2 4.08Å; L2178-Y2261 HydrophobicContact CD1-CE2 4.35Å; L2178-A2264 HydrophobicContact CB-CB 4.41Å; L2178-A2264 HydrophobicContact CD1-CB 4.38Å; L2178-I2265 HydrophobicContact CD1-CG1 3.81Å; L2178-A2268 HydrophobicContact CB-CB 4.27Å; L2178-A2268 HydrophobicContact CD2-CB 3.82Å |
| 2179 | Q | 90.7 | Very high | 85.3 | Confident | 83.6667 Ų | 83.6667 | 36 Ų | 36 | 39% | 0.391 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 174.5 | -76.7 | 177 | -16.6 | 0 | 0 | 111.8 | R2175 V2176 L2181 V2182 V2183 | R2175-Q2179 VanDerWaalsContact NH1-NE2 3.14Å; R2175-Q2179 VanDerWaalsContact O-CG 3.28Å; R2175-Q2179 WeakPolarHBondContact O-CG 3.35Å; R2175-Q2179 PolarHBondContact O-N 3.15Å; V2176-Q2179 PolarHBondContact O-N 3.22Å; Q2179-L2181 VanDerWaalsContact C-N 3.34Å; Q2179-L2181 PolarHBondContact O-N 2.96Å; Q2179-V2182 WeakPolarHBondContact O-CB 3.19Å; Q2179-V2182 PolarHBondContact O-N 3.19Å; Q2179-V2183 WeakPolarHBondContact O-CG2 3.45Å; Q2179-V2183 PolarHBondContact O-N 2.94Å |
| 2180 | L | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.8 | 175.5 | 64.3 | 0 | 0 | 0 | 111.1 | F2109 I2112 T2113 L2116 F2143 V2176 A2177 V2182 V2183 I2184 | F2109-L2180 HydrophobicContact CB-CB 4.3Å; F2109-L2180 HydrophobicContact CB-CD2 3.8Å; F2109-L2180 HydrophobicContact CD1-CD2 3.42Å; F2109-L2180 VanDerWaalsContact CD1-CD2 3.43Å; F2109-L2180 HydrophobicContact CE1-CD2 4.2Å; F2109-L2180 HydrophobicContact CG-CD2 3.77Å; I2112-L2180 HydrophobicContact CB-CD1 3.86Å; I2112-L2180 HydrophobicContact CG2-CD1 3.57Å; T2113-L2180 WeakPolarHBondContact OG1-CA 3.29Å; T2113-L2180 WeakPolarHBondContact OG1-CB 3.32Å; T2113-L2180 VanDerWaalsContact OG1-CD1 3.28Å; T2113-L2180 WeakPolarHBondContact OG1-CD1 3.4Å; L2116-L2180 HydrophobicContact CD1-CD1 4.45Å; F2143-L2180 HydrophobicContact CE2-CD2 3.74Å; F2143-L2180 HydrophobicContact CZ-CD2 3.75Å; F2143-L2180 HydrophobicContact CZ-CG 4.19Å; V2176-L2180 PolarHBondContact O-N 2.98Å; A2177-L2180 PolarHBondContact O-N 3.09Å; L2180-V2182 VanDerWaalsContact C-N 3.31Å; L2180-V2182 PolarHBondContact O-N 2.89Å; L2180-V2183 PolarHBondContact O-N 3.42Å; L2180-V2183 VanDerWaalsContact O-N 3.15Å; L2180-I2184 HydrophobicContact CD1-CD1 3.69Å; L2180-I2184 HydrophobicContact CD1-CG1 3.82Å; L2180-I2184 HydrophobicContact CD2-CD1 4.02Å; L2180-I2184 HydrophobicContact CG-CD1 3.56Å; L2180-I2184 HydrophobicContact CG-CG1 4.12Å; L2180-I2184 WeakPolarHBondContact O-CB 3.41Å; L2180-I2184 VanDerWaalsContact O-CG1 3.31Å; L2180-I2184 WeakPolarHBondContact O-CG1 3.34Å; L2180-I2184 PolarHBondContact O-N 3.2Å |
| 2181 | L | 89.2 | Confident | 84.8 | Confident | 3.33333 Ų | 3.33333 | 34.7 Ų | 34.7 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -45.6 | 179.1 | -177.7 | 65.4 | 0 | 0 | 0 | 111.3 | F2143 I2147 A2177 L2178 Q2179 V2183 I2184 M2185 L2226 L2272 | F2143-L2181 HydrophobicContact CE1-CD1 4.15Å; I2147-L2181 HydrophobicContact CD1-CB 4.26Å; I2147-L2181 HydrophobicContact CD1-CD1 4.42Å; I2147-L2181 HydrophobicContact CD1-CD2 4.28Å; I2147-L2181 HydrophobicContact CD1-CG 4.49Å; A2177-L2181 PolarHBondContact O-N 3Å; L2178-L2181 PolarHBondContact O-N 3.35Å; Q2179-L2181 VanDerWaalsContact C-N 3.34Å; Q2179-L2181 PolarHBondContact O-N 2.96Å; L2181-V2183 VanDerWaalsContact C-N 3.34Å; L2181-V2183 PolarHBondContact O-N 3.33Å; L2181-I2184 PolarHBondContact O-N 3.33Å; L2181-M2185 HydrophobicContact CD1-CG 4.16Å; L2181-M2185 HydrophobicContact CG-CG 4.43Å; L2181-M2185 WeakPolarHBondContact O-CB 3.33Å; L2181-M2185 WeakPolarHBondContact O-CG 3.38Å; L2181-M2185 PolarHBondContact O-N 3.23Å; L2181-L2226 HydrophobicContact CD2-CD2 4.19Å; L2181-L2272 HydrophobicContact CD2-CD1 3.85Å; L2181-L2272 HydrophobicContact CD2-CD2 4.21Å; L2181-L2272 HydrophobicContact CD2-CG 4.49Å; L2181-L2272 HydrophobicContact CG-CD2 4.18Å |
| 2182 | V | 88.6 | Confident | 84.3 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 175.2 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | L2178 Q2179 L2180 S2186 A2268 T2271 | L2178-V2182 WeakPolarHBondContact O-CG2 3.14Å; L2178-V2182 PolarHBondContact O-N 3.16Å; Q2179-V2182 WeakPolarHBondContact O-CB 3.19Å; Q2179-V2182 PolarHBondContact O-N 3.19Å; L2180-V2182 VanDerWaalsContact C-N 3.31Å; L2180-V2182 PolarHBondContact O-N 2.89Å; V2182-S2186 WeakPolarHBondContact O-CB 3.25Å; V2182-S2186 PolarHBondContact O-N 3.22Å; V2182-S2186 VanDerWaalsContact O-N 3.12Å; V2182-S2186 PolarHBondContact O-OG 3.02Å; V2182-A2268 VanDerWaalsContact CG2-CA 3.43Å; V2182-A2268 HydrophobicContact CG2-CB 3.88Å; V2182-T2271 HydrophobicContact CG1-CG2 4.06Å |
| 2183 | V | 88.5 | Confident | 84 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -46.1 | -178.5 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T2113 L2116 I2117 Q2179 L2180 L2181 M2185 S2186 H2187 | T2113-V2183 HydrophobicContact CG2-CG2 4.14Å; L2116-V2183 HydrophobicContact CB-CG1 3.53Å; L2116-V2183 HydrophobicContact CD1-CG1 4.04Å; L2116-V2183 HydrophobicContact CG-CG1 4.45Å; I2117-V2183 HydrophobicContact CD1-CG2 4.15Å; I2117-V2183 HydrophobicContact CG1-CG1 4.08Å; I2117-V2183 HydrophobicContact CG1-CG2 3.94Å; Q2179-V2183 WeakPolarHBondContact O-CG2 3.45Å; Q2179-V2183 PolarHBondContact O-N 2.94Å; L2180-V2183 PolarHBondContact O-N 3.42Å; L2180-V2183 VanDerWaalsContact O-N 3.15Å; L2181-V2183 VanDerWaalsContact C-N 3.34Å; L2181-V2183 PolarHBondContact O-N 3.33Å; V2183-M2185 VanDerWaalsContact C-N 3.3Å; V2183-M2185 PolarHBondContact O-N 2.99Å; V2183-S2186 PolarHBondContact O-N 2.89Å; V2183-S2186 PolarHBondContact O-OG 3.38Å; V2183-H2187 WeakPolarHBondContact O-CB 3.36Å; V2183-H2187 PolarHBondContact O-N 3.18Å; V2183-H2187 VanDerWaalsContact O-N 3.08Å |
| 2184 | I | 87.9 | Confident | 83.7 | Confident | 1.33333 Ų | 1.33333 | 41 Ų | 41 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 177.4 | -72.5 | 172.1 | 0 | 0 | 0 | 111 | L2116 L2133 L2136 F2143 L2180 L2181 H2187 N2194 V2196 | L2116-I2184 HydrophobicContact CD1-CG1 3.82Å; L2133-I2184 HydrophobicContact CD2-CB 4.45Å; L2133-I2184 HydrophobicContact CD2-CG1 4.43Å; L2133-I2184 HydrophobicContact CD2-CG2 3.92Å; L2136-I2184 HydrophobicContact CD1-CD1 3.81Å; L2136-I2184 HydrophobicContact CD1-CG1 4.47Å; L2136-I2184 HydrophobicContact CD2-CD1 3.8Å; L2136-I2184 HydrophobicContact CD2-CG2 4.36Å; L2136-I2184 HydrophobicContact CG-CD1 4.41Å; F2143-I2184 HydrophobicContact CE1-CD1 4.2Å; F2143-I2184 HydrophobicContact CZ-CD1 4.12Å; L2180-I2184 HydrophobicContact CD1-CD1 3.69Å; L2180-I2184 HydrophobicContact CD1-CG1 3.82Å; L2180-I2184 HydrophobicContact CD2-CD1 4.02Å; L2180-I2184 HydrophobicContact CG-CD1 3.56Å; L2180-I2184 HydrophobicContact CG-CG1 4.12Å; L2180-I2184 WeakPolarHBondContact O-CB 3.41Å; L2180-I2184 VanDerWaalsContact O-CG1 3.31Å; L2180-I2184 WeakPolarHBondContact O-CG1 3.34Å; L2180-I2184 PolarHBondContact O-N 3.2Å; L2181-I2184 PolarHBondContact O-N 3.33Å; I2184-H2187 WeakPolarHBondContact O-CB 3.18Å; I2184-H2187 PolarHBondContact O-N 3.25Å; I2184-N2194 PolarHBondContact O-ND2 3.23Å; I2184-V2196 HydrophobicContact CG2-CB 4.06Å; I2184-V2196 HydrophobicContact CG2-CG1 4.01Å; I2184-V2196 HydrophobicContact CG2-CG2 3.77Å |
| 2185 | M | 83.5 | Confident | 83.5 | Confident | 0.666667 Ų | 0.666667 | 42.1 Ų | 42.1 | 0% | 0.003 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -34.3 | -175.9 | -66.7 | -68.3 | -78.5 | 0 | 0 | 112 | L2181 V2183 H2187 N2194 V2196 V2197 L2200 L2272 I2275 C2276 | L2181-M2185 HydrophobicContact CD1-CG 4.16Å; L2181-M2185 HydrophobicContact CG-CG 4.43Å; L2181-M2185 WeakPolarHBondContact O-CB 3.33Å; L2181-M2185 WeakPolarHBondContact O-CG 3.38Å; L2181-M2185 PolarHBondContact O-N 3.23Å; V2183-M2185 VanDerWaalsContact C-N 3.3Å; V2183-M2185 PolarHBondContact O-N 2.99Å; M2185-H2187 VanDerWaalsContact C-N 3.3Å; M2185-N2194 PolarHBondContact O-ND2 3.09Å; M2185-N2194 VanDerWaalsContact O-ND2 3.17Å; M2185-V2196 HydrophobicContact SD-CG1 4.09Å; M2185-V2197 HydrophobicContact CE-CG2 3.76Å; M2185-V2197 HydrophobicContact SD-CG2 3.73Å; M2185-L2200 HydrophobicContact CE-CD1 3.45Å; M2185-L2200 VanDerWaalsContact CE-CD1 3.45Å; M2185-L2200 HydrophobicContact SD-CD1 3.57Å; M2185-L2200 VanDerWaalsContact SD-CD1 3.55Å; M2185-L2272 HydrophobicContact CB-CD2 4.43Å; M2185-L2272 HydrophobicContact CE-CD2 3.72Å; M2185-L2272 HydrophobicContact CG-CD2 3.75Å; M2185-L2272 HydrophobicContact SD-CD2 4.44Å; M2185-I2275 HydrophobicContact CB-CD1 4.27Å; M2185-I2275 WeakPolarHBondContact O-CD1 3.32Å; M2185-C2276 HydrophobicContact CE-CB 3.99Å |
| 2186 | S | 83.9 | Confident | 83.2 | Confident | 52.3333 Ų | 52.3333 | 38.8 Ų | 38.8 | 37% | 0.366 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -88.1 | -9.3 | -178.6 | 59.7 | 0 | 0 | 0 | 0 | 115 | V2182 V2183 Q2188 | V2182-S2186 WeakPolarHBondContact O-CB 3.25Å; V2182-S2186 PolarHBondContact O-N 3.22Å; V2182-S2186 VanDerWaalsContact O-N 3.12Å; V2182-S2186 PolarHBondContact O-OG 3.02Å; V2183-S2186 PolarHBondContact O-N 2.89Å; V2183-S2186 PolarHBondContact O-OG 3.38Å; S2186-Q2188 VanDerWaalsContact C-N 3.32Å; S2186-Q2188 PolarHBondContact O-N 3.05Å |
| 2187 | H | 77.5 | Confident | 82.9 | Confident | 28.3333 Ų | 28.3333 | 38.5 Ų | 38.5 | 13% | 0.131 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -64.7 | -15.7 | -172.3 | -154.7 | 58.7 | 0 | 0 | 0 | 113.8 | L2116 S2119 N2128 L2133 V2183 I2184 M2185 N2194 | L2116-H2187 VanDerWaalsContact CD2-CD2 3.45Å; L2116-H2187 WeakPolarHBondContact CD2-CD2 3.07Å; L2116-H2187 WeakPolarHBondContact CD2-NE2 3.17Å; L2116-H2187 PolarHBondContact O-CE1 3.44Å; S2119-H2187 PolarHBondContact OG-CE1 3.26Å; S2119-H2187 PolarHBondContact OG-NE2 3.18Å; N2128-H2187 PolarHBondContact ND2-NE2 2.64Å; L2133-H2187 HydrophobicContact CD1-CB 4.39Å; V2183-H2187 WeakPolarHBondContact O-CB 3.36Å; V2183-H2187 PolarHBondContact O-N 3.18Å; V2183-H2187 VanDerWaalsContact O-N 3.08Å; I2184-H2187 WeakPolarHBondContact O-CB 3.18Å; I2184-H2187 PolarHBondContact O-N 3.25Å; M2185-H2187 VanDerWaalsContact C-N 3.3Å; H2187-N2194 PolarHBondContact O-ND2 3.17Å |
| 2188 | Q | 72.4 | Confident | 82.5 | Confident | 35.3333 Ų | 35.3333 | 40.9 Ų | 40.9 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -131.3 | 132.7 | -173.6 | -134.9 | 138.5 | -18.7 | 0 | 0 | 113.7 | L2129 S2186 L2193 N2194 | L2129-Q2188 HydrophobicContact CD1-CG 4.39Å; S2186-Q2188 VanDerWaalsContact C-N 3.32Å; S2186-Q2188 PolarHBondContact O-N 3.05Å; Q2188-L2193 HydrophobicContact CG-CB 4.07Å; Q2188-N2194 HydrophobicContact CB-CB 4.26Å |
| 2189 | R | 71.8 | Confident | 82 | Confident | 221 Ų | 221 | 44.7 Ų | 44.7 | 83% | 0.834 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -126.2 | 137.3 | 170.8 | -66.3 | -172.8 | -178.2 | -179 | 0.3 | 109.8 | ||
| 2190 | P | 74.7 | Confident | 81.6 | Confident | 80.3333 Ų | 80.3333 | 40.9 Ų | 40.9 | 52% | 0.522 | 21% | 0.213 | S | C | . | . | S | Bend | cis | -65.1 | 149.1 | -2.6 | 27.1 | -34.6 | 0 | 0 | 0 | 112.8 | S2192 L2193 | P2190-S2192 PolarHBondContact O-N 3.08Å; P2190-S2192 VanDerWaalsContact O-N 3.16Å; P2190-L2193 HydrophobicContact CG-CD1 3.91Å; P2190-L2193 HydrophobicContact CG-CG 4.09Å; P2190-L2193 WeakPolarHBondContact O-CB 3.24Å; P2190-L2193 PolarHBondContact O-N 3.21Å |
| 2191 | V | 74.6 | Confident | 81.1 | Confident | 47.6667 Ų | 47.6667 | 43.8 Ų | 43.8 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -57.2 | -31.2 | -173.7 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | L2193 N2194 V2197 I2275 | V2191-L2193 PolarHBondContact O-N 3.16Å; V2191-L2193 VanDerWaalsContact O-N 3.08Å; V2191-N2194 VanDerWaalsContact O-CB 3.27Å; V2191-N2194 WeakPolarHBondContact O-CB 3.42Å; V2191-N2194 PolarHBondContact O-N 3.33Å; V2191-V2197 HydrophobicContact CG1-CB 4.37Å; V2191-V2197 HydrophobicContact CG1-CG1 3.9Å; V2191-V2197 HydrophobicContact CG1-CG2 4.24Å; V2191-I2275 HydrophobicContact CB-CG2 4.4Å; V2191-I2275 HydrophobicContact CG1-CG2 3.38Å; V2191-I2275 VanDerWaalsContact CG1-CG2 3.41Å; V2191-I2275 HydrophobicContact CG2-CG2 4.09Å |
| 2192 | S | 73.5 | Confident | 80.6 | Confident | 75.6667 Ų | 75.6667 | 50.8 Ų | 50.8 | 53% | 0.529 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.8 | -12.2 | 176.5 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | P2190 N2198 | P2190-S2192 PolarHBondContact O-N 3.08Å; P2190-S2192 VanDerWaalsContact O-N 3.16Å; S2192-N2198 PolarHBondContact O-ND2 3.18Å; S2192-N2198 PolarHBondContact O-OD1 3.21Å; S2192-N2198 VanDerWaalsContact O-OD1 3.13Å |
| 2193 | L | 77.2 | Confident | 79.9 | Confident | 98.6667 Ų | 98.6667 | 51.6 Ų | 51.6 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -91.8 | -7.1 | 173.7 | -63.6 | 177.7 | 0 | 0 | 0 | 112.9 | Q2188 P2190 V2191 P2195 | Q2188-L2193 HydrophobicContact CG-CB 4.07Å; P2190-L2193 HydrophobicContact CG-CD1 3.91Å; P2190-L2193 HydrophobicContact CG-CG 4.09Å; P2190-L2193 WeakPolarHBondContact O-CB 3.24Å; P2190-L2193 PolarHBondContact O-N 3.21Å; V2191-L2193 PolarHBondContact O-N 3.16Å; V2191-L2193 VanDerWaalsContact O-N 3.08Å; L2193-P2195 WeakPolarHBondContact O-CD 3.42Å |
| 2194 | N | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -77.6 | 114.4 | 178 | -169.5 | -31.2 | 0 | 0 | 0 | 109.7 | I2184 M2185 H2187 Q2188 V2191 V2196 V2197 N2198 | I2184-N2194 PolarHBondContact O-ND2 3.23Å; M2185-N2194 PolarHBondContact O-ND2 3.09Å; M2185-N2194 VanDerWaalsContact O-ND2 3.17Å; H2187-N2194 PolarHBondContact O-ND2 3.17Å; Q2188-N2194 HydrophobicContact CB-CB 4.26Å; V2191-N2194 VanDerWaalsContact O-CB 3.27Å; V2191-N2194 WeakPolarHBondContact O-CB 3.42Å; V2191-N2194 PolarHBondContact O-N 3.33Å; N2194-V2196 PolarHBondContact O-N 3.24Å; N2194-V2196 WeakPolarHBondContact OD1-CB 3.47Å; N2194-V2196 PolarHBondContact OD1-N 3.1Å; N2194-V2196 VanDerWaalsContact OD1-N 3.1Å; N2194-V2197 HydrophobicContact CB-CB 4.13Å; N2194-V2197 HydrophobicContact CB-CG2 3.84Å; N2194-V2197 PolarHBondContact O-N 3.24Å; N2194-V2197 PolarHBondContact OD1-N 3.4Å; N2194-N2198 WeakPolarHBondContact O-CB 3.15Å; N2194-N2198 VanDerWaalsContact O-CG 3.28Å; N2194-N2198 PolarHBondContact O-N 3.2Å; N2194-N2198 PolarHBondContact O-ND2 3.18Å | ||
| 2195 | P | 83.2 | Confident | 78.3 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -28.1 | -175.9 | 29.3 | -36.3 | 0 | 0 | 0 | 112.5 | L2129 L2133 K2134 T2137 L2193 R2199 | L2129-P2195 HydrophobicContact CD1-CG 4.41Å; L2133-P2195 HydrophobicContact CB-CG 3.77Å; K2134-P2195 HydrophobicContact CG-CB 4.44Å; K2134-P2195 HydrophobicContact CG-CG 4.34Å; T2137-P2195 VanDerWaalsContact CG2-C 3.48Å; T2137-P2195 HydrophobicContact CG2-CB 4.02Å; T2137-P2195 HydrophobicContact CG2-CG 4.22Å; T2137-P2195 WeakPolarHBondContact CG2-O 3.25Å; L2193-P2195 WeakPolarHBondContact O-CD 3.42Å; P2195-R2199 WeakPolarHBondContact O-CB 3.46Å; P2195-R2199 PolarHBondContact O-N 3.14Å |
| 2196 | V | 85 | Confident | 77.2 | Confident | 2.33333 Ų | 2.33333 | 60.4 Ų | 60.4 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.7 | -50.1 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | L2133 L2136 T2137 L2140 I2184 M2185 N2194 N2198 R2199 L2200 | L2133-V2196 HydrophobicContact CD2-CG2 4.43Å; L2136-V2196 HydrophobicContact CD2-CG2 4.25Å; T2137-V2196 HydrophobicContact CG2-CB 4.42Å; T2137-V2196 HydrophobicContact CG2-CG2 3.83Å; T2137-V2196 WeakPolarHBondContact OG1-CG2 3.15Å; T2137-V2196 PolarHBondContact OG1-N 3.31Å; L2140-V2196 HydrophobicContact CD1-CG1 3.93Å; L2140-V2196 HydrophobicContact CD2-CG1 4.31Å; I2184-V2196 HydrophobicContact CG2-CB 4.06Å; I2184-V2196 HydrophobicContact CG2-CG1 4.01Å; I2184-V2196 HydrophobicContact CG2-CG2 3.77Å; M2185-V2196 HydrophobicContact SD-CG1 4.09Å; N2194-V2196 PolarHBondContact O-N 3.24Å; N2194-V2196 WeakPolarHBondContact OD1-CB 3.47Å; N2194-V2196 PolarHBondContact OD1-N 3.1Å; N2194-V2196 VanDerWaalsContact OD1-N 3.1Å; V2196-N2198 VanDerWaalsContact C-N 3.34Å; V2196-N2198 PolarHBondContact O-N 3.42Å; V2196-R2199 PolarHBondContact O-N 2.9Å; V2196-R2199 VanDerWaalsContact O-N 3.13Å; V2196-L2200 HydrophobicContact CG1-CD1 4.21Å; V2196-L2200 VanDerWaalsContact O-CG 3.3Å; V2196-L2200 WeakPolarHBondContact O-CG 3.45Å; V2196-L2200 PolarHBondContact O-N 3.24Å |
| 2197 | V | 82.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | M2185 V2191 N2194 R2199 L2200 E2201 I2275 | M2185-V2197 HydrophobicContact CE-CG2 3.76Å; M2185-V2197 HydrophobicContact SD-CG2 3.73Å; V2191-V2197 HydrophobicContact CG1-CB 4.37Å; V2191-V2197 HydrophobicContact CG1-CG1 3.9Å; V2191-V2197 HydrophobicContact CG1-CG2 4.24Å; N2194-V2197 HydrophobicContact CB-CB 4.13Å; N2194-V2197 HydrophobicContact CB-CG2 3.84Å; N2194-V2197 PolarHBondContact O-N 3.24Å; N2194-V2197 PolarHBondContact OD1-N 3.4Å; V2197-R2199 VanDerWaalsContact C-N 3.27Å; V2197-R2199 PolarHBondContact O-N 3.33Å; V2197-L2200 WeakPolarHBondContact O-CB 3.28Å; V2197-L2200 PolarHBondContact O-N 3.17Å; V2197-L2200 VanDerWaalsContact O-N 3.16Å; V2197-E2201 HydrophobicContact CG1-CG 4.42Å; V2197-E2201 WeakPolarHBondContact O-CG 3.34Å; V2197-E2201 PolarHBondContact O-N 3.07Å; V2197-I2275 HydrophobicContact CG1-CG2 4.41Å; V2197-I2275 HydrophobicContact CG2-CG2 3.86Å |
| 2198 | N | 81.9 | Confident | 75 | Confident | 50.3333 Ų | 50.3333 | 62.1 Ų | 62.1 | 27% | 0.269 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -34.5 | 177.8 | -74.3 | -15.7 | 0 | 0 | 0 | 113 | S2192 N2194 V2196 K2202 | S2192-N2198 PolarHBondContact O-ND2 3.18Å; S2192-N2198 PolarHBondContact O-OD1 3.21Å; S2192-N2198 VanDerWaalsContact O-OD1 3.13Å; N2194-N2198 WeakPolarHBondContact O-CB 3.15Å; N2194-N2198 VanDerWaalsContact O-CG 3.28Å; N2194-N2198 PolarHBondContact O-N 3.2Å; N2194-N2198 PolarHBondContact O-ND2 3.18Å; V2196-N2198 VanDerWaalsContact C-N 3.34Å; V2196-N2198 PolarHBondContact O-N 3.42Å; N2198-K2202 WeakPolarHBondContact O-CB 3.16Å; N2198-K2202 WeakPolarHBondContact O-CG 3.32Å; N2198-K2202 PolarHBondContact O-N 2.83Å; N2198-K2202 VanDerWaalsContact O-N 3.13Å |
| 2199 | R | 81 | Confident | 74.3 | Confident | 80.6667 Ų | 80.6667 | 65.8 Ų | 65.8 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72 | -44.1 | 176.4 | -175.9 | 168 | -177.8 | 145 | 1.5 | 111.5 | T2137 L2140 P2195 V2196 V2197 E2201 K2202 E2203 | T2137-R2199 HydrophobicContact CG2-CB 3.68Å; T2137-R2199 HydrophobicContact CG2-CG 4.15Å; T2137-R2199 WeakPolarHBondContact O-CD 3.33Å; T2137-R2199 PolarHBondContact O-NE 3.1Å; T2137-R2199 VanDerWaalsContact O-NE 3.16Å; T2137-R2199 PolarHBondContact O-NH1 3.4Å; L2140-R2199 HydrophobicContact CD2-CB 4.19Å; L2140-R2199 HydrophobicContact CD2-CG 4.04Å; P2195-R2199 WeakPolarHBondContact O-CB 3.46Å; P2195-R2199 PolarHBondContact O-N 3.14Å; V2196-R2199 PolarHBondContact O-N 2.9Å; V2196-R2199 VanDerWaalsContact O-N 3.13Å; V2197-R2199 VanDerWaalsContact C-N 3.27Å; V2197-R2199 PolarHBondContact O-N 3.33Å; R2199-E2201 VanDerWaalsContact C-N 3.31Å; R2199-E2201 PolarHBondContact O-N 3.2Å; R2199-K2202 PolarHBondContact O-N 3.07Å; R2199-E2203 HydrophobicContact CG-CG 4.46Å; R2199-E2203 IonicContact CZ-OE1 3.21Å; R2199-E2203 IonicContact NE-OE1 3.37Å; R2199-E2203 PolarHBondContact NE-OE1 3.03Å; R2199-E2203 VanDerWaalsContact NE-OE1 3.15Å; R2199-E2203 IonicContact NH2-OE1 3.46Å; R2199-E2203 PolarHBondContact O-N 3.11Å |
| 2200 | L | 80.4 | Confident | 73.4 | Confident | 4.66667 Ų | 4.66667 | 61.4 Ų | 61.4 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 175.8 | -66.7 | 169.4 | 0 | 0 | 0 | 111.3 | L2140 L2144 M2185 V2196 V2197 E2203 Y2204 I2223 | L2140-L2200 HydrophobicContact CD1-CD2 4.28Å; L2140-L2200 HydrophobicContact CD2-CD2 3.7Å; L2140-L2200 HydrophobicContact CD2-CG 3.95Å; L2140-L2200 HydrophobicContact CG-CD2 4.25Å; L2144-L2200 HydrophobicContact CD1-CD2 3.96Å; M2185-L2200 HydrophobicContact CE-CD1 3.45Å; M2185-L2200 VanDerWaalsContact CE-CD1 3.45Å; M2185-L2200 HydrophobicContact SD-CD1 3.57Å; M2185-L2200 VanDerWaalsContact SD-CD1 3.55Å; V2196-L2200 HydrophobicContact CG1-CD1 4.21Å; V2196-L2200 VanDerWaalsContact O-CG 3.3Å; V2196-L2200 WeakPolarHBondContact O-CG 3.45Å; V2196-L2200 PolarHBondContact O-N 3.24Å; V2197-L2200 WeakPolarHBondContact O-CB 3.28Å; V2197-L2200 PolarHBondContact O-N 3.17Å; V2197-L2200 VanDerWaalsContact O-N 3.16Å; L2200-E2203 PolarHBondContact O-N 3.03Å; L2200-Y2204 PolarHBondContact O-N 3.19Å; L2200-Y2204 VanDerWaalsContact O-N 3.13Å; L2200-I2223 HydrophobicContact CB-CD1 3.87Å; L2200-I2223 HydrophobicContact CD2-CD1 3.26Å; L2200-I2223 HydrophobicContact CD2-CG1 3.52Å; L2200-I2223 HydrophobicContact CG-CD1 4.16Å; L2200-I2223 WeakPolarHBondContact O-CD1 3.34Å |
| 2201 | E | 81.4 | Confident | 72.2 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 177.9 | -71.1 | -174.2 | 164.5 | 0 | 0 | 112.1 | V2197 R2199 Y2204 V2205 H2277 | V2197-E2201 HydrophobicContact CG1-CG 4.42Å; V2197-E2201 WeakPolarHBondContact O-CG 3.34Å; V2197-E2201 PolarHBondContact O-N 3.07Å; R2199-E2201 VanDerWaalsContact C-N 3.31Å; R2199-E2201 PolarHBondContact O-N 3.2Å; E2201-Y2204 PolarHBondContact O-N 3.24Å; E2201-V2205 VanDerWaalsContact O-CG2 3.3Å; E2201-V2205 WeakPolarHBondContact O-CG2 3.33Å; E2201-V2205 PolarHBondContact O-N 3.13Å; E2201-V2205 VanDerWaalsContact O-N 3.09Å; E2201-H2277 PolarHBondContact OE1-N 3.42Å; E2201-H2277 VanDerWaalsContact OE1-N 3.1Å |
| 2202 | K | 79.8 | Confident | 71 | Confident | 151.5 Ų | 151.5 | 68.1 Ų | 68.1 | 66% | 0.659 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | 175.8 | -77.5 | 174.9 | -177.7 | -175.1 | 0 | 112.9 | N2198 R2199 Y2204 V2205 L2206 | N2198-K2202 WeakPolarHBondContact O-CB 3.16Å; N2198-K2202 WeakPolarHBondContact O-CG 3.32Å; N2198-K2202 PolarHBondContact O-N 2.83Å; N2198-K2202 VanDerWaalsContact O-N 3.13Å; R2199-K2202 PolarHBondContact O-N 3.07Å; K2202-Y2204 VanDerWaalsContact C-N 3.32Å; K2202-Y2204 PolarHBondContact O-N 3.32Å; K2202-V2205 PolarHBondContact O-N 3.2Å; K2202-L2206 WeakPolarHBondContact O-CB 3.39Å; K2202-L2206 PolarHBondContact O-N 2.87Å; K2202-L2206 VanDerWaalsContact O-N 3.07Å |
| 2203 | E | 72.8 | Confident | 69.3 | Low | 44 Ų | 44 | 72.2 Ų | 72.2 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 178 | -78.6 | 174.8 | -175.1 | 0 | 0 | 110.9 | R2199 L2200 L2206 D2207 I2223 | R2199-E2203 HydrophobicContact CG-CG 4.46Å; R2199-E2203 IonicContact CZ-OE1 3.21Å; R2199-E2203 IonicContact NE-OE1 3.37Å; R2199-E2203 PolarHBondContact NE-OE1 3.03Å; R2199-E2203 VanDerWaalsContact NE-OE1 3.15Å; R2199-E2203 IonicContact NH2-OE1 3.46Å; R2199-E2203 PolarHBondContact O-N 3.11Å; L2200-E2203 PolarHBondContact O-N 3.03Å; E2203-L2206 PolarHBondContact O-N 3.25Å; E2203-D2207 PolarHBondContact O-N 3.01Å; E2203-I2223 HydrophobicContact CB-CD1 4.3Å |
| 2204 | Y | 72 | Confident | 67.3 | Low | 28.5 Ų | 28.5 | 75.7 Ų | 75.7 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.4 | -177.4 | -97.3 | 0 | 0 | 0 | 113.6 | L2200 E2201 K2202 L2206 D2207 T2208 V2224 A2278 I2281 | L2200-Y2204 PolarHBondContact O-N 3.19Å; L2200-Y2204 VanDerWaalsContact O-N 3.13Å; E2201-Y2204 PolarHBondContact O-N 3.24Å; K2202-Y2204 VanDerWaalsContact C-N 3.32Å; K2202-Y2204 PolarHBondContact O-N 3.32Å; Y2204-L2206 VanDerWaalsContact C-N 3.3Å; Y2204-L2206 PolarHBondContact O-N 3.15Å; Y2204-D2207 PolarHBondContact O-N 3.29Å; Y2204-T2208 HydrophobicContact CD1-CG2 4.29Å; Y2204-T2208 HydrophobicContact CE1-CG2 3.81Å; Y2204-T2208 HydrophobicContact CE2-CG2 4.36Å; Y2204-T2208 PolarHBondContact O-N 3.03Å; Y2204-T2208 VanDerWaalsContact O-N 3.09Å; Y2204-T2208 PolarHBondContact O-OG1 3.44Å; Y2204-T2208 VanDerWaalsContact O-OG1 3.04Å; Y2204-V2224 HydrophobicContact CD2-CG2 4.2Å; Y2204-V2224 HydrophobicContact CE2-CG2 4.19Å; Y2204-A2278 HydrophobicContact CD1-CB 3.72Å; Y2204-A2278 HydrophobicContact CD2-CB 3.82Å; Y2204-A2278 HydrophobicContact CE1-CB 4.34Å; Y2204-A2278 HydrophobicContact CE2-CB 4.43Å; Y2204-A2278 HydrophobicContact CG-CB 3.42Å; Y2204-A2278 VanDerWaalsContact CG-CB 3.42Å; Y2204-I2281 VanDerWaalsContact OH-CG2 3.3Å; Y2204-I2281 WeakPolarHBondContact OH-CG2 3.36Å |
| 2205 | V | 70.8 | Confident | 64.9 | Low | 79 Ų | 79 | 83.7 Ų | 83.7 | 48% | 0.479 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E2201 K2202 D2207 T2208 I2209 | E2201-V2205 VanDerWaalsContact O-CG2 3.3Å; E2201-V2205 WeakPolarHBondContact O-CG2 3.33Å; E2201-V2205 PolarHBondContact O-N 3.13Å; E2201-V2205 VanDerWaalsContact O-N 3.09Å; K2202-V2205 PolarHBondContact O-N 3.2Å; V2205-D2207 VanDerWaalsContact C-N 3.34Å; V2205-D2207 PolarHBondContact O-N 3.18Å; V2205-T2208 WeakPolarHBondContact CA-OG1 3.41Å; V2205-T2208 PolarHBondContact O-OG1 3.21Å; V2205-I2209 HydrophobicContact CG1-CD1 4.14Å; V2205-I2209 WeakPolarHBondContact O-CD1 3.23Å; V2205-I2209 VanDerWaalsContact O-CG1 3.3Å; V2205-I2209 WeakPolarHBondContact O-CG1 3.31Å; V2205-I2209 PolarHBondContact O-N 3.33Å |
| 2206 | L | 61.9 | Low | 62.8 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 179.7 | -138.5 | 77 | 0 | 0 | 0 | 112.2 | K2202 E2203 Y2204 I2209 K2210 | K2202-L2206 WeakPolarHBondContact O-CB 3.39Å; K2202-L2206 PolarHBondContact O-N 2.87Å; K2202-L2206 VanDerWaalsContact O-N 3.07Å; E2203-L2206 PolarHBondContact O-N 3.25Å; Y2204-L2206 VanDerWaalsContact C-N 3.3Å; Y2204-L2206 PolarHBondContact O-N 3.15Å; L2206-I2209 PolarHBondContact O-N 3.22Å; L2206-K2210 WeakPolarHBondContact O-CG 3.41Å; L2206-K2210 PolarHBondContact O-N 2.89Å |
| 2207 | D | 56.7 | Low | 60.6 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 33% | 0.326 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81.1 | -32.5 | -178.6 | -74.2 | -19.2 | 0 | 0 | 0 | 113.2 | E2203 Y2204 V2205 I2209 K2210 S2211 N2221 | E2203-D2207 PolarHBondContact O-N 3.01Å; Y2204-D2207 PolarHBondContact O-N 3.29Å; V2205-D2207 VanDerWaalsContact C-N 3.34Å; V2205-D2207 PolarHBondContact O-N 3.18Å; D2207-I2209 PolarHBondContact O-N 2.96Å; D2207-K2210 CarbonylContact O-C 3.58Å; D2207-K2210 PolarHBondContact O-N 3.29Å; D2207-K2210 VanDerWaalsContact O-N 3.1Å; D2207-S2211 WeakPolarHBondContact O-CB 3.26Å; D2207-S2211 PolarHBondContact O-N 3.46Å; D2207-S2211 PolarHBondContact O-OG 2.92Å; D2207-N2221 PolarHBondContact OD2-ND2 3.4Å |
| 2208 | T | 58.2 | Low | 58.7 | Low | 54 Ų | 54 | 103.9 Ų | 103.9 | 33% | 0.331 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -24.7 | 171.2 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | Y2204 V2205 S2211 | Y2204-T2208 HydrophobicContact CD1-CG2 4.29Å; Y2204-T2208 HydrophobicContact CE1-CG2 3.81Å; Y2204-T2208 HydrophobicContact CE2-CG2 4.36Å; Y2204-T2208 PolarHBondContact O-N 3.03Å; Y2204-T2208 VanDerWaalsContact O-N 3.09Å; Y2204-T2208 PolarHBondContact O-OG1 3.44Å; Y2204-T2208 VanDerWaalsContact O-OG1 3.04Å; V2205-T2208 WeakPolarHBondContact CA-OG1 3.41Å; V2205-T2208 PolarHBondContact O-OG1 3.21Å; T2208-S2211 PolarHBondContact O-OG 3.44Å |
| 2209 | I | 58.1 | Low | 57.2 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 58% | 0.579 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.6 | -36.8 | 171.2 | -64.8 | 166 | 0 | 0 | 0 | 110.9 | V2205 L2206 D2207 | V2205-I2209 HydrophobicContact CG1-CD1 4.14Å; V2205-I2209 WeakPolarHBondContact O-CD1 3.23Å; V2205-I2209 VanDerWaalsContact O-CG1 3.3Å; V2205-I2209 WeakPolarHBondContact O-CG1 3.31Å; V2205-I2209 PolarHBondContact O-N 3.33Å; L2206-I2209 PolarHBondContact O-N 3.22Å; D2207-I2209 PolarHBondContact O-N 2.96Å |
| 2210 | K | 52.3 | Low | 56 | Low | 128.5 Ų | 128.5 | 107.3 Ų | 107.3 | 56% | 0.559 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -77.6 | -36.5 | 179.8 | -71.7 | 176.5 | -177.6 | 173.5 | 0 | 113.6 | L2206 D2207 K2212 H2213 | L2206-K2210 WeakPolarHBondContact O-CG 3.41Å; L2206-K2210 PolarHBondContact O-N 2.89Å; D2207-K2210 CarbonylContact O-C 3.58Å; D2207-K2210 PolarHBondContact O-N 3.29Å; D2207-K2210 VanDerWaalsContact O-N 3.1Å; K2210-K2212 PolarHBondContact O-N 3.07Å; K2210-K2212 VanDerWaalsContact O-N 3.12Å; K2210-H2213 CarbonylContact O-C 3.31Å; K2210-H2213 VanDerWaalsContact O-C 3.3Å; K2210-H2213 WeakPolarHBondContact O-CA 3.49Å; K2210-H2213 PolarHBondContact O-N 3.08Å |
| 2211 | S | 50.1 | Low | 55.6 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -13.7 | -177 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | D2207 T2208 H2213 | D2207-S2211 WeakPolarHBondContact O-CB 3.26Å; D2207-S2211 PolarHBondContact O-N 3.46Å; D2207-S2211 PolarHBondContact O-OG 2.92Å; T2208-S2211 PolarHBondContact O-OG 3.44Å; S2211-H2213 PolarHBondContact O-N 3.04Å |
| 2212 | K | 49.6 | Very low | 55.3 | Low | 178.5 Ų | 178.5 | 107.5 Ų | 107.5 | 78% | 0.776 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -10.4 | 167.1 | -73.4 | -176.2 | 177.9 | 178.3 | 0 | 113.5 | K2210 | K2210-K2212 PolarHBondContact O-N 3.07Å; K2210-K2212 VanDerWaalsContact O-N 3.12Å |
| 2213 | H | 37.1 | Very low | 55.3 | Low | 160.5 Ų | 160.5 | 100.5 Ų | 100.5 | 74% | 0.743 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -128 | 90.7 | 176 | -74.6 | -62.5 | 0 | 0 | 0 | 111.9 | K2210 S2211 | K2210-H2213 CarbonylContact O-C 3.31Å; K2210-H2213 VanDerWaalsContact O-C 3.3Å; K2210-H2213 WeakPolarHBondContact O-CA 3.49Å; K2210-H2213 PolarHBondContact O-N 3.08Å; S2211-H2213 PolarHBondContact O-N 3.04Å |
| 2214 | Q | 34 | Very low | 55.6 | Low | 173 Ų | 173 | 99.3 Ų | 99.3 | 81% | 0.808 | 52% | 0.524 | S | S | * | . | trans | 92.7 | 124.4 | 152 | -81 | 174.8 | -23.5 | 0 | 0 | 118 | S2216 | Q2214-S2216 PolarHBondContact O-N 3.37Š| ||
| 2215 | N | 34.4 | Very low | 56.1 | Low | 168 Ų | 168 | 102 Ų | 102 | 90% | 0.898 | 53% | 0.534 | S | S | * | . | trans | -17.9 | 92.1 | 152 | -62.3 | -9.4 | 0 | 0 | 0 | 114.6 | ||||
| 2216 | S | 37.5 | Very low | 56.8 | Low | 98 Ų | 98 | 98.4 Ų | 98.4 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | trans | -158.9 | 115.9 | 150.4 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | Q2214 E2218 | Q2214-S2216 PolarHBondContact O-N 3.37Å; S2216-E2218 PolarHBondContact O-N 3.16Å; S2216-E2218 VanDerWaalsContact O-N 3.07Å | ||
| 2217 | D | 39.6 | Very low | 57.8 | Low | 172 Ų | 172 | 93.6 Ų | 93.6 | 92% | 0.92 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 12.8 | -179.4 | -80.2 | -35.8 | 0 | 0 | 0 | 114.8 | ||
| 2218 | E | 42.4 | Very low | 59.2 | Low | 183.5 Ų | 183.5 | 94.6 Ų | 94.6 | 86% | 0.857 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 47 | -169.1 | -74.3 | -170.2 | 159.6 | 0 | 0 | 114.6 | S2216 | S2216-E2218 PolarHBondContact O-N 3.16Å; S2216-E2218 VanDerWaalsContact O-N 3.07Å |
| 2219 | S | 50.1 | Low | 60.5 | Low | 110.5 Ų | 110.5 | 94.1 Ų | 94.1 | 77% | 0.773 | 48% | 0.479 | S | S | * | . | trans | 163 | 76.9 | 163.5 | 75.9 | 0 | 0 | 0 | 0 | 112.3 | N2221 | S2219-N2221 PolarHBondContact O-N 2.93Š| ||
| 2220 | L | 56.7 | Low | 61.9 | Low | 90.5 Ų | 90.5 | 88.8 Ų | 88.8 | 47% | 0.474 | 45% | 0.452 | S | S | . | . | trans | -53.1 | 128.5 | 161.6 | -82.8 | 163.3 | 0 | 0 | 0 | 108.6 | D2222 V2224 | L2220-D2222 PolarHBondContact O-N 3.2Å; L2220-V2224 HydrophobicContact CD2-CG1 4.05Å | ||
| 2221 | N | 71.9 | Confident | 63.4 | Low | 28 Ų | 28 | 83.1 Ų | 83.1 | 15% | 0.15 | 43% | 0.428 | C | S | . | . | trans | -51.6 | 131.5 | 176.7 | -175.2 | -31.8 | 0 | 0 | 0 | 109.7 | D2207 S2219 I2223 V2224 Y2225 | D2207-N2221 PolarHBondContact OD2-ND2 3.4Å; S2219-N2221 PolarHBondContact O-N 2.93Å; N2221-I2223 PolarHBondContact O-N 2.92Å; N2221-I2223 WeakPolarHBondContact OD1-CB 3.4Å; N2221-I2223 WeakPolarHBondContact OD1-CG1 3.42Å; N2221-I2223 PolarHBondContact OD1-N 2.88Å; N2221-V2224 HydrophobicContact CB-CB 4.38Å; N2221-V2224 HydrophobicContact CB-CG2 4.2Å; N2221-V2224 WeakPolarHBondContact O-CA 3.47Å; N2221-V2224 WeakPolarHBondContact O-CB 3.41Å; N2221-V2224 PolarHBondContact O-N 3.12Å; N2221-Y2225 PolarHBondContact O-N 2.87Å | ||
| 2222 | D | 75.5 | Confident | 65.1 | Low | 42.5 Ų | 42.5 | 84.1 Ų | 84.1 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -51.6 | -32.4 | -173.4 | -65.3 | -20.6 | 0 | 0 | 0 | 112.5 | L2144 N2145 L2148 L2220 L2226 | L2144-D2222 HydrophobicContact CB-CB 4.19Å; L2144-D2222 HydrophobicContact CD1-CB 4.26Å; N2145-D2222 PolarHBondContact ND2-OD2 3.08Å; N2145-D2222 PolarHBondContact OD1-OD1 3.05Å; L2148-D2222 HydrophobicContact CD1-CB 4.28Å; L2220-D2222 PolarHBondContact O-N 3.2Å; D2222-L2226 VanDerWaalsContact O-CB 3.23Å; D2222-L2226 WeakPolarHBondContact O-CB 3.43Å; D2222-L2226 PolarHBondContact O-N 3.17Å |
| 2223 | I | 78.5 | Confident | 66.7 | Low | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 177.9 | -54.8 | 169.2 | 0 | 0 | 0 | 111.5 | L2144 L2200 E2203 N2221 L2226 T2227 I2279 | L2144-I2223 HydrophobicContact CD1-CG1 3.71Å; L2200-I2223 HydrophobicContact CB-CD1 3.87Å; L2200-I2223 HydrophobicContact CD2-CD1 3.26Å; L2200-I2223 HydrophobicContact CD2-CG1 3.52Å; L2200-I2223 HydrophobicContact CG-CD1 4.16Å; L2200-I2223 WeakPolarHBondContact O-CD1 3.34Å; E2203-I2223 HydrophobicContact CB-CD1 4.3Å; N2221-I2223 PolarHBondContact O-N 2.92Å; N2221-I2223 WeakPolarHBondContact OD1-CB 3.4Å; N2221-I2223 WeakPolarHBondContact OD1-CG1 3.42Å; N2221-I2223 PolarHBondContact OD1-N 2.88Å; I2223-L2226 PolarHBondContact O-N 3.01Å; I2223-T2227 WeakPolarHBondContact O-CB 3.42Å; I2223-T2227 PolarHBondContact O-N 3.24Å; I2223-T2227 PolarHBondContact O-OG1 3.16Å; I2223-I2279 HydrophobicContact CG2-CG1 4.19Å |
| 2224 | V | 80 | Confident | 68.8 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.4 | -49 | 177.5 | 171 | 0 | 0 | 0 | 0 | 108.4 | Y2204 L2220 N2221 L2226 T2227 R2228 T2282 | Y2204-V2224 HydrophobicContact CD2-CG2 4.2Å; Y2204-V2224 HydrophobicContact CE2-CG2 4.19Å; L2220-V2224 HydrophobicContact CD2-CG1 4.05Å; N2221-V2224 HydrophobicContact CB-CB 4.38Å; N2221-V2224 HydrophobicContact CB-CG2 4.2Å; N2221-V2224 WeakPolarHBondContact O-CA 3.47Å; N2221-V2224 WeakPolarHBondContact O-CB 3.41Å; N2221-V2224 PolarHBondContact O-N 3.12Å; V2224-L2226 PolarHBondContact O-N 3.14Å; V2224-T2227 WeakPolarHBondContact O-CB 3.4Å; V2224-T2227 PolarHBondContact O-N 3.04Å; V2224-R2228 HydrophobicContact CG1-CG 4.19Å; V2224-R2228 WeakPolarHBondContact O-CB 3.46Å; V2224-R2228 WeakPolarHBondContact O-CG 3.44Å; V2224-R2228 PolarHBondContact O-N 3.02Å; V2224-T2282 HydrophobicContact CB-CG2 4.31Å; V2224-T2282 HydrophobicContact CG1-CG2 3.8Å; V2224-T2282 HydrophobicContact CG2-CG2 4.36Å |
| 2225 | Y | 83.4 | Confident | 70.6 | Confident | 84.5 Ų | 84.5 | 61.8 Ų | 61.8 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 177.8 | -176.5 | -107.2 | 0 | 0 | 0 | 112.2 | L2148 D2152 N2221 T2227 R2228 R2229 | L2148-Y2225 HydrophobicContact CD1-CD1 3.71Å; L2148-Y2225 HydrophobicContact CD1-CE1 4.39Å; L2148-Y2225 HydrophobicContact CD2-CD1 3.41Å; L2148-Y2225 VanDerWaalsContact CD2-CD1 3.44Å; L2148-Y2225 HydrophobicContact CD2-CE1 3.69Å; L2148-Y2225 HydrophobicContact CD2-CG 4.47Å; L2148-Y2225 HydrophobicContact CG-CD1 4.08Å; L2148-Y2225 HydrophobicContact CG-CE1 4.43Å; D2152-Y2225 PolarHBondContact OD2-OH 2.96Å; N2221-Y2225 PolarHBondContact O-N 2.87Å; Y2225-T2227 VanDerWaalsContact C-N 3.34Å; Y2225-T2227 PolarHBondContact O-N 3.22Å; Y2225-R2228 PolarHBondContact O-N 3.21Å; Y2225-R2229 VanDerWaalsContact O-CB 3.27Å; Y2225-R2229 WeakPolarHBondContact O-CB 3.47Å; Y2225-R2229 PolarHBondContact O-N 3.36Å |
| 2226 | L | 85.4 | Confident | 72.2 | Confident | 4.5 Ų | 4.5 | 56.6 Ų | 56.6 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.1 | -180 | 101.1 | 0 | 0 | 0 | 112.1 | L2144 I2147 L2148 I2151 L2181 D2222 I2223 V2224 R2229 L2230 L2272 | L2144-L2226 HydrophobicContact CD2-CD1 4.3Å; L2144-L2226 HydrophobicContact CD2-CD2 3.93Å; I2147-L2226 HydrophobicContact CB-CD1 4.35Å; I2147-L2226 HydrophobicContact CG2-CD1 3.92Å; L2148-L2226 HydrophobicContact CD1-CB 4.42Å; L2148-L2226 VanDerWaalsContact CD2-CA 3.47Å; L2148-L2226 HydrophobicContact CD2-CB 3.68Å; L2148-L2226 HydrophobicContact CD2-CD1 3.87Å; L2148-L2226 HydrophobicContact CD2-CG 4.23Å; L2148-L2226 HydrophobicContact CG-CB 4.16Å; L2148-L2226 HydrophobicContact CG-CD1 4.08Å; I2151-L2226 HydrophobicContact CD1-CD1 3.92Å; L2181-L2226 HydrophobicContact CD2-CD2 4.19Å; D2222-L2226 VanDerWaalsContact O-CB 3.23Å; D2222-L2226 WeakPolarHBondContact O-CB 3.43Å; D2222-L2226 PolarHBondContact O-N 3.17Å; I2223-L2226 PolarHBondContact O-N 3.01Å; V2224-L2226 PolarHBondContact O-N 3.14Å; L2226-R2229 PolarHBondContact O-N 3.35Å; L2226-L2230 HydrophobicContact CD1-CD1 4.1Å; L2226-L2230 HydrophobicContact CD1-CG 4.18Å; L2226-L2230 HydrophobicContact CD2-CD1 3.62Å; L2226-L2230 HydrophobicContact CD2-CG 4.48Å; L2226-L2230 HydrophobicContact CG-CD1 4.02Å; L2226-L2230 HydrophobicContact CG-CG 4.43Å; L2226-L2230 WeakPolarHBondContact O-CB 3.3Å; L2226-L2230 VanDerWaalsContact O-CG 3.26Å; L2226-L2230 WeakPolarHBondContact O-CG 3.34Å; L2226-L2230 PolarHBondContact O-N 3.16Å; L2226-L2272 HydrophobicContact CD2-CD1 4.1Å |
| 2227 | T | 83.2 | Confident | 73.1 | Confident | 1.5 Ų | 1.5 | 54 Ų | 54 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | I2223 V2224 Y2225 R2229 L2230 V2231 I2279 T2282 A2283 | I2223-T2227 WeakPolarHBondContact O-CB 3.42Å; I2223-T2227 PolarHBondContact O-N 3.24Å; I2223-T2227 PolarHBondContact O-OG1 3.16Å; V2224-T2227 WeakPolarHBondContact O-CB 3.4Å; V2224-T2227 PolarHBondContact O-N 3.04Å; Y2225-T2227 VanDerWaalsContact C-N 3.34Å; Y2225-T2227 PolarHBondContact O-N 3.22Å; T2227-R2229 VanDerWaalsContact C-N 3.29Å; T2227-R2229 PolarHBondContact O-N 3.03Å; T2227-L2230 PolarHBondContact O-N 3.41Å; T2227-V2231 HydrophobicContact CG2-CG2 4.42Å; T2227-V2231 WeakPolarHBondContact O-CB 3.23Å; T2227-V2231 WeakPolarHBondContact O-CG2 3.21Å; T2227-V2231 PolarHBondContact O-N 2.98Å; T2227-I2279 HydrophobicContact CG2-CB 4.44Å; T2227-I2279 HydrophobicContact CG2-CG2 3.64Å; T2227-T2282 HydrophobicContact CG2-CG2 4.14Å; T2227-A2283 HydrophobicContact CG2-CB 4.42Å |
| 2228 | R | 85.8 | Confident | 73.5 | Confident | 82.5 Ų | 82.5 | 54.1 Ų | 54.1 | 31% | 0.311 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.9 | -45.7 | 175.8 | -72.8 | -168.1 | 163.5 | 151 | -1.1 | 111.7 | V2224 Y2225 V2231 Q2232 T2282 D2286 | V2224-R2228 HydrophobicContact CG1-CG 4.19Å; V2224-R2228 WeakPolarHBondContact O-CB 3.46Å; V2224-R2228 WeakPolarHBondContact O-CG 3.44Å; V2224-R2228 PolarHBondContact O-N 3.02Å; Y2225-R2228 PolarHBondContact O-N 3.21Å; R2228-V2231 PolarHBondContact O-N 3.25Å; R2228-Q2232 WeakPolarHBondContact O-CB 3.43Å; R2228-Q2232 PolarHBondContact O-N 2.94Å; R2228-T2282 HydrophobicContact CG-CG2 4.37Å; R2228-D2286 WeakPolarHBondContact CD-OD2 3.29Å; R2228-D2286 WeakPolarHBondContact CG-OD2 3.26Å; R2228-D2286 IonicContact CZ-OD1 3.33Å; R2228-D2286 VanDerWaalsContact CZ-OD1 3.29Å; R2228-D2286 VanDerWaalsContact NE-CG 3.28Å; R2228-D2286 IonicContact NE-OD1 2.93Å; R2228-D2286 PolarHBondContact NE-OD1 2.95Å; R2228-D2286 IonicContact NE-OD2 3.27Å; R2228-D2286 PolarHBondContact NE-OD2 3.11Å; R2228-D2286 VanDerWaalsContact NE-OD2 3.11Å; R2228-D2286 IonicContact NH2-OD1 3.02Å; R2228-D2286 PolarHBondContact NH2-OD1 3.34Å |
| 2229 | R | 84.4 | Confident | 73.4 | Confident | 43.5 Ų | 43.5 | 48.9 Ų | 48.9 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | -178.4 | -163.1 | 66.6 | 174.7 | 125.7 | 6.3 | 111.8 | I2151 D2152 Y2225 L2226 T2227 V2231 Q2232 L2233 | I2151-R2229 HydrophobicContact CG2-CG 4.15Å; D2152-R2229 IonicContact OD1-CZ 3.02Å; D2152-R2229 IonicContact OD1-NE 3.18Å; D2152-R2229 PolarHBondContact OD1-NE 3.35Å; D2152-R2229 IonicContact OD1-NH2 3.2Å; D2152-R2229 PolarHBondContact OD1-NH2 3.31Å; Y2225-R2229 VanDerWaalsContact O-CB 3.27Å; Y2225-R2229 WeakPolarHBondContact O-CB 3.47Å; Y2225-R2229 PolarHBondContact O-N 3.36Å; L2226-R2229 PolarHBondContact O-N 3.35Å; T2227-R2229 VanDerWaalsContact C-N 3.29Å; T2227-R2229 PolarHBondContact O-N 3.03Å; R2229-V2231 VanDerWaalsContact C-N 3.34Å; R2229-V2231 PolarHBondContact O-N 2.67Å; R2229-Q2232 PolarHBondContact O-N 3.24Å; R2229-L2233 HydrophobicContact CG-CD1 4.17Å; R2229-L2233 WeakPolarHBondContact O-CB 3.4Å; R2229-L2233 VanDerWaalsContact O-CG 3.22Å; R2229-L2233 WeakPolarHBondContact O-CG 3.25Å; R2229-L2233 PolarHBondContact O-N 3.06Å |
| 2230 | L | 86.8 | Confident | 73.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.2 | -69.5 | 174.2 | 0 | 0 | 0 | 111.9 | I2151 L2178 L2226 T2227 L2233 S2234 I2265 L2269 L2272 | I2151-L2230 HydrophobicContact CD1-CD2 4.09Å; L2178-L2230 HydrophobicContact CD2-CD2 4.08Å; L2226-L2230 HydrophobicContact CD1-CD1 4.1Å; L2226-L2230 HydrophobicContact CD1-CG 4.18Å; L2226-L2230 HydrophobicContact CD2-CD1 3.62Å; L2226-L2230 HydrophobicContact CD2-CG 4.48Å; L2226-L2230 HydrophobicContact CG-CD1 4.02Å; L2226-L2230 HydrophobicContact CG-CG 4.43Å; L2226-L2230 WeakPolarHBondContact O-CB 3.3Å; L2226-L2230 VanDerWaalsContact O-CG 3.26Å; L2226-L2230 WeakPolarHBondContact O-CG 3.34Å; L2226-L2230 PolarHBondContact O-N 3.16Å; T2227-L2230 PolarHBondContact O-N 3.41Å; L2230-L2233 PolarHBondContact O-N 3.31Å; L2230-S2234 WeakPolarHBondContact O-CB 3.43Å; L2230-S2234 PolarHBondContact O-N 2.98Å; L2230-I2265 HydrophobicContact CD2-CB 4.46Å; L2230-I2265 HydrophobicContact CD2-CG1 4.33Å; L2230-I2265 HydrophobicContact CD2-CG2 3.89Å; L2230-L2269 HydrophobicContact CB-CD1 3.97Å; L2230-L2272 HydrophobicContact CD1-CD1 3.74Å |
| 2231 | V | 85 | Confident | 72.3 | Confident | 9.5 Ų | 9.5 | 49.7 Ų | 49.7 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -53.1 | 174.3 | 159.9 | 0 | 0 | 0 | 0 | 110.6 | T2227 R2228 R2229 L2233 S2234 N2235 L2269 A2283 F2288 | T2227-V2231 HydrophobicContact CG2-CG2 4.42Å; T2227-V2231 WeakPolarHBondContact O-CB 3.23Å; T2227-V2231 WeakPolarHBondContact O-CG2 3.21Å; T2227-V2231 PolarHBondContact O-N 2.98Å; R2228-V2231 PolarHBondContact O-N 3.25Å; R2229-V2231 VanDerWaalsContact C-N 3.34Å; R2229-V2231 PolarHBondContact O-N 2.67Å; V2231-L2233 VanDerWaalsContact C-N 3.29Å; V2231-L2233 PolarHBondContact O-N 3.13Å; V2231-S2234 PolarHBondContact O-N 2.88Å; V2231-N2235 PolarHBondContact O-N 3.28Å; V2231-N2235 VanDerWaalsContact O-N 3.12Å; V2231-L2269 HydrophobicContact CG2-CD1 3.93Å; V2231-L2269 HydrophobicContact CG2-CD2 4.49Å; V2231-A2283 HydrophobicContact CG2-CB 4.2Å; V2231-F2288 HydrophobicContact CB-CD2 4.21Å; V2231-F2288 HydrophobicContact CG1-CB 3.98Å; V2231-F2288 HydrophobicContact CG1-CD2 3.5Å; V2231-F2288 VanDerWaalsContact CG1-CD2 3.46Å; V2231-F2288 HydrophobicContact CG1-CE2 4.31Å; V2231-F2288 HydrophobicContact CG1-CG 4.02Å; V2231-F2288 HydrophobicContact CG2-CB 4.39Å; V2231-F2288 HydrophobicContact CG2-CD2 3.99Å; V2231-F2288 HydrophobicContact CG2-CE2 4.43Å; V2231-F2288 HydrophobicContact CG2-CG 4.08Å |
| 2232 | Q | 85.5 | Confident | 70.9 | Confident | 112 Ų | 112 | 55.7 Ų | 55.7 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 178.8 | -173.5 | -173.4 | 19.5 | 0 | 0 | 111.6 | R2228 R2229 N2235 S2236 | R2228-Q2232 WeakPolarHBondContact O-CB 3.43Å; R2228-Q2232 PolarHBondContact O-N 2.94Å; R2229-Q2232 PolarHBondContact O-N 3.24Å; Q2232-N2235 PolarHBondContact O-N 3.43Å; Q2232-S2236 WeakPolarHBondContact O-CB 3.44Å; Q2232-S2236 PolarHBondContact O-N 3.05Å; Q2232-S2236 PolarHBondContact O-OG 3.36Å |
| 2233 | L | 84.1 | Confident | 68.7 | Low | 6.5 Ų | 6.5 | 60.1 Ų | 60.1 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.1 | -36.7 | -176.8 | -68.3 | 176.9 | 0 | 0 | 0 | 113.1 | I2151 E2155 R2229 L2230 V2231 N2235 S2236 I2265 | I2151-L2233 HydrophobicContact CG2-CD1 3.4Å; I2151-L2233 VanDerWaalsContact CG2-CD1 3.41Å; E2155-L2233 VanDerWaalsContact CD-CD2 3.43Å; E2155-L2233 HydrophobicContact CG-CD1 3.9Å; E2155-L2233 HydrophobicContact CG-CD2 3.7Å; E2155-L2233 HydrophobicContact CG-CG 4.48Å; R2229-L2233 HydrophobicContact CG-CD1 4.17Å; R2229-L2233 WeakPolarHBondContact O-CB 3.4Å; R2229-L2233 VanDerWaalsContact O-CG 3.22Å; R2229-L2233 WeakPolarHBondContact O-CG 3.25Å; R2229-L2233 PolarHBondContact O-N 3.06Å; L2230-L2233 PolarHBondContact O-N 3.31Å; V2231-L2233 VanDerWaalsContact C-N 3.29Å; V2231-L2233 PolarHBondContact O-N 3.13Å; L2233-N2235 VanDerWaalsContact C-N 3.32Å; L2233-N2235 PolarHBondContact O-N 3Å; L2233-S2236 WeakPolarHBondContact CA-OG 3.27Å; L2233-S2236 PolarHBondContact O-N 2.83Å; L2233-S2236 PolarHBondContact O-OG 3.01Å; L2233-I2265 HydrophobicContact CB-CD1 4.18Å; L2233-I2265 HydrophobicContact CB-CG2 4.29Å; L2233-I2265 HydrophobicContact CD1-CD1 4.11Å |
| 2234 | S | 80.5 | Confident | 66.4 | Low | 8 Ų | 8 | 62.8 Ų | 62.8 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 175.2 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | L2230 V2231 D2266 | L2230-S2234 WeakPolarHBondContact O-CB 3.43Å; L2230-S2234 PolarHBondContact O-N 2.98Å; V2231-S2234 PolarHBondContact O-N 2.88Å; S2234-D2266 WeakPolarHBondContact CB-OD1 3.35Å; S2234-D2266 PolarHBondContact OG-OD1 3.01Å |
| 2235 | N | 71.3 | Confident | 63.9 | Low | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.16 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.5 | -32.4 | 177.5 | -68.6 | -13.9 | 0 | 0 | 0 | 112.8 | V2231 Q2232 L2233 G2237 E2291 | V2231-N2235 PolarHBondContact O-N 3.28Å; V2231-N2235 VanDerWaalsContact O-N 3.12Å; Q2232-N2235 PolarHBondContact O-N 3.43Å; L2233-N2235 VanDerWaalsContact C-N 3.32Å; L2233-N2235 PolarHBondContact O-N 3Å; N2235-G2237 PolarHBondContact O-N 3.4Å; N2235-E2291 WeakPolarHBondContact CB-OE1 3.25Å; N2235-E2291 PolarHBondContact ND2-OE2 2.97Å |
| 2236 | S | 69.4 | Low | 61.2 | Low | 58.5 Ų | 58.5 | 69.4 Ų | 69.4 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 0.2 | 176.9 | 74.6 | 0 | 0 | 0 | 0 | 115.3 | Q2232 L2233 Q2238 | Q2232-S2236 WeakPolarHBondContact O-CB 3.44Å; Q2232-S2236 PolarHBondContact O-N 3.05Å; Q2232-S2236 PolarHBondContact O-OG 3.36Å; L2233-S2236 WeakPolarHBondContact CA-OG 3.27Å; L2233-S2236 PolarHBondContact O-N 2.83Å; L2233-S2236 PolarHBondContact O-OG 3.01Å; S2236-Q2238 PolarHBondContact O-N 3.23Å |
| 2237 | G | 55.1 | Low | 58.6 | Low | 42 Ų | 42 | 74.5 Ų | 74.5 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | trans | -61.8 | 49.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N2235 C2239 | N2235-G2237 PolarHBondContact O-N 3.4Å; G2237-C2239 PolarHBondContact O-N 2.89Å | ||
| 2238 | Q | 47.7 | Very low | 56.3 | Low | 174.5 Ų | 174.5 | 85.1 Ų | 85.1 | 82% | 0.815 | 47% | 0.468 | S | S | * | . | trans | -59.1 | 123 | 162.1 | -74 | -171.5 | -5.7 | 0 | 0 | 108.4 | S2236 F2240 | S2236-Q2238 PolarHBondContact O-N 3.23Å; Q2238-F2240 PolarHBondContact O-N 3.39Å | ||
| 2239 | C | 41.4 | Very low | 54.1 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 51% | 0.507 | 48% | 0.484 | S | S | . | . | trans | 15.7 | 94.6 | 160.7 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | G2237 S2241 | G2237-C2239 PolarHBondContact O-N 2.89Å; C2239-S2241 PolarHBondContact O-N 3.45Å | ||
| 2240 | F | 45 | Very low | 52 | Low | 141 Ų | 141 | 89.1 Ų | 89.1 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | trans | -95.9 | 66.4 | 136 | -68.4 | -75.8 | 0 | 0 | 0 | 107.6 | Q2238 Q2242 I2258 | Q2238-F2240 PolarHBondContact O-N 3.39Å; F2240-Q2242 PolarHBondContact O-N 3.09Å; F2240-Q2242 VanDerWaalsContact O-N 3.11Å; F2240-I2258 HydrophobicContact CE2-CG2 4.06Å; F2240-I2258 HydrophobicContact CZ-CG2 4.42Å | ||
| 2241 | S | 39.2 | Very low | 50.3 | Low | 76 Ų | 76 | 91.3 Ų | 91.3 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | trans | -63.1 | 112.8 | 159.4 | 48.9 | 0 | 0 | 0 | 0 | 105.4 | C2239 D2243 | C2239-S2241 PolarHBondContact O-N 3.45Å; S2241-D2243 WeakPolarHBondContact CB-OD2 3.27Å; S2241-D2243 PolarHBondContact O-N 2.88Å; S2241-D2243 PolarHBondContact OG-OD2 3.41Å; S2241-D2243 VanDerWaalsContact OG-OD2 3.13Å | ||
| 2242 | Q | 41.4 | Very low | 49 | Very low | 154.5 Ų | 154.5 | 98.5 Ų | 98.5 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | trans | -64.3 | 65.4 | 157.7 | -73.9 | 171.5 | -45.7 | 0 | 0 | 107.7 | F2240 G2244 K2350 | F2240-Q2242 PolarHBondContact O-N 3.09Å; F2240-Q2242 VanDerWaalsContact O-N 3.11Å; Q2242-G2244 PolarHBondContact O-N 3.04Å; Q2242-K2350 VanDerWaalsContact OE1-NZ 3.16Å | ||
| 2243 | D | 29.3 | Very low | 47.7 | Very low | 135 Ų | 135 | 99.4 Ų | 99.4 | 72% | 0.722 | 56% | 0.562 | S | S | * | * | trans | -73.1 | 117.6 | 156.5 | -72.7 | -38.1 | 0 | 0 | 0 | 105.3 | S2241 | S2241-D2243 WeakPolarHBondContact CB-OD2 3.27Å; S2241-D2243 PolarHBondContact O-N 2.88Å; S2241-D2243 PolarHBondContact OG-OD2 3.41Å; S2241-D2243 VanDerWaalsContact OG-OD2 3.13Å | ||
| 2244 | G | 31.1 | Very low | 46.9 | Very low | 61 Ų | 61 | 100.6 Ų | 100.6 | 63% | 0.629 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -53.7 | 155.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q2242 | Q2242-G2244 PolarHBondContact O-N 3.04Š|
| 2245 | T | 27.4 | Very low | 46.6 | Very low | 147.5 Ų | 147.5 | 103.1 Ų | 103.1 | 91% | 0.905 | 58% | 0.583 | S | S | * | * | trans | 91.7 | 61.2 | 179.1 | 74 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2246 | S | 25.9 | Very low | 46.8 | Very low | 93 Ų | 93 | 105 Ų | 105 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | trans | -138.1 | 104 | 142.8 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | R2248 | S2246-R2248 PolarHBondContact O-N 3.36Š| ||
| 2247 | P | 30.5 | Very low | 47.3 | Very low | 113 Ų | 113 | 104.2 Ų | 104.2 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 107.9 | 177.2 | 33.6 | -28.1 | 0 | 0 | 0 | 108.5 | ||
| 2248 | R | 36 | Very low | 48.6 | Very low | 223 Ų | 223 | 102.6 Ų | 102.6 | 84% | 0.842 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.8 | 32.4 | 168.1 | -77.9 | 164.3 | -173.2 | -156.5 | 2.5 | 118.2 | R2165 S2246 S2250 | R2165-R2248 PolarHBondContact NH2-O 3.21Å; S2246-R2248 PolarHBondContact O-N 3.36Å; R2248-S2250 PolarHBondContact O-N 3.29Å |
| 2249 | L | 38.4 | Very low | 50.1 | Low | 125 Ų | 125 | 97.4 Ų | 97.4 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | trans | -93.6 | 87.7 | 162.6 | -77.4 | 159.6 | 0 | 0 | 0 | 109.9 | S2251 I2255 | L2249-S2251 PolarHBondContact O-N 3.2Å; L2249-S2251 VanDerWaalsContact O-N 3.1Å; L2249-I2255 HydrophobicContact CB-CD1 4.39Å; L2249-I2255 HydrophobicContact CD1-CD1 4.41Å | ||
| 2250 | S | 40.9 | Very low | 52.2 | Low | 84.5 Ų | 84.5 | 97.5 Ų | 97.5 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | trans | -79.1 | 27.6 | -171.1 | 61.1 | 0 | 0 | 0 | 0 | 115.5 | R2165 R2248 | R2165-S2250 PolarHBondContact NH1-OG 2.9Å; R2165-S2250 PolarHBondContact NH2-OG 3.12Å; R2248-S2250 PolarHBondContact O-N 3.29Å | ||
| 2251 | S | 51.4 | Low | 54.2 | Low | 47.5 Ų | 47.5 | 90.8 Ų | 90.8 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | trans | -148 | 86.9 | 173.7 | 114.7 | 0 | 0 | 0 | 0 | 111 | L2249 N2253 S2254 | L2249-S2251 PolarHBondContact O-N 3.2Å; L2249-S2251 VanDerWaalsContact O-N 3.1Å; S2251-N2253 PolarHBondContact O-N 3.14Å; S2251-S2254 PolarHBondContact O-N 2.99Å; S2251-S2254 PolarHBondContact O-OG 3.11Å; S2251-S2254 VanDerWaalsContact O-OG 3.09Å; S2251-S2254 PolarHBondContact OG-N 3.23Å; S2251-S2254 PolarHBondContact OG-OG 3.09Å | ||
| 2252 | Q | 57.4 | Low | 56.5 | Low | 161.5 Ų | 161.5 | 89.7 Ų | 89.7 | 76% | 0.755 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55.5 | -28.4 | 174.2 | -71.2 | 177.3 | -15.2 | 0 | 0 | 112.3 | I2255 T2256 | Q2252-I2255 PolarHBondContact O-N 2.84Å; Q2252-T2256 WeakPolarHBondContact O-CG2 3.48Å; Q2252-T2256 PolarHBondContact O-N 3.21Å; Q2252-T2256 PolarHBondContact O-OG1 2.88Å |
| 2253 | N | 59.3 | Low | 58.5 | Low | 129.5 Ų | 129.5 | 88.2 Ų | 88.2 | 69% | 0.693 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.3 | -37.2 | -177.9 | -69.4 | -4.7 | 0 | 0 | 0 | 114.1 | S2251 I2255 T2256 V2257 | S2251-N2253 PolarHBondContact O-N 3.14Å; N2253-I2255 PolarHBondContact O-N 2.91Å; N2253-T2256 PolarHBondContact O-N 3.47Å; N2253-T2256 PolarHBondContact O-OG1 2.96Å; N2253-V2257 VanDerWaalsContact O-CG2 3.3Å; N2253-V2257 WeakPolarHBondContact O-CG2 3.43Å; N2253-V2257 PolarHBondContact O-N 3.11Å |
| 2254 | S | 66.9 | Low | 61.3 | Low | 32.5 Ų | 32.5 | 82.1 Ų | 82.1 | 23% | 0.227 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.8 | -41.3 | -179.7 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | S2251 T2256 V2257 I2258 | S2251-S2254 PolarHBondContact O-N 2.99Å; S2251-S2254 PolarHBondContact O-OG 3.11Å; S2251-S2254 VanDerWaalsContact O-OG 3.09Å; S2251-S2254 PolarHBondContact OG-N 3.23Å; S2251-S2254 PolarHBondContact OG-OG 3.09Å; S2254-T2256 VanDerWaalsContact C-N 3.33Å; S2254-T2256 PolarHBondContact O-N 3.22Å; S2254-V2257 PolarHBondContact O-N 3.08Å; S2254-I2258 WeakPolarHBondContact O-CG1 3.46Å; S2254-I2258 PolarHBondContact O-N 3.17Å; S2254-I2258 VanDerWaalsContact O-N 3.1Å |
| 2255 | I | 72.9 | Confident | 64.1 | Low | 61.5 Ų | 61.5 | 79.3 Ų | 79.3 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 178.5 | -61.7 | 171.6 | 0 | 0 | 0 | 110.6 | L2249 Q2252 N2253 V2257 I2258 I2259 | L2249-I2255 HydrophobicContact CB-CD1 4.39Å; L2249-I2255 HydrophobicContact CD1-CD1 4.41Å; Q2252-I2255 PolarHBondContact O-N 2.84Å; N2253-I2255 PolarHBondContact O-N 2.91Å; I2255-V2257 VanDerWaalsContact C-N 3.32Å; I2255-V2257 PolarHBondContact O-N 3.22Å; I2255-I2258 PolarHBondContact O-N 3.04Å; I2255-I2259 HydrophobicContact CG2-CD1 3.8Å; I2255-I2259 HydrophobicContact CG2-CG1 4.39Å; I2255-I2259 VanDerWaalsContact O-CG1 3.3Å; I2255-I2259 WeakPolarHBondContact O-CG1 3.17Å; I2255-I2259 PolarHBondContact O-N 3.15Å |
| 2256 | T | 76.5 | Confident | 66.9 | Low | 68.5 Ų | 68.5 | 74.9 Ų | 74.9 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 177.7 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | Q2252 N2253 S2254 I2259 N2260 | Q2252-T2256 WeakPolarHBondContact O-CG2 3.48Å; Q2252-T2256 PolarHBondContact O-N 3.21Å; Q2252-T2256 PolarHBondContact O-OG1 2.88Å; N2253-T2256 PolarHBondContact O-N 3.47Å; N2253-T2256 PolarHBondContact O-OG1 2.96Å; S2254-T2256 VanDerWaalsContact C-N 3.33Å; S2254-T2256 PolarHBondContact O-N 3.22Å; T2256-I2259 PolarHBondContact O-N 3.11Å; T2256-N2260 WeakPolarHBondContact O-CB 3.31Å; T2256-N2260 PolarHBondContact O-N 3.41Å; T2256-N2260 PolarHBondContact O-ND2 3Å |
| 2257 | V | 79.4 | Confident | 69.8 | Low | 42.5 Ų | 42.5 | 73.7 Ų | 73.7 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V2168 C2171 A2172 N2253 S2254 I2255 N2260 Y2261 | V2168-V2257 HydrophobicContact CB-CG1 4.37Å; V2168-V2257 HydrophobicContact CG1-CG1 4.21Å; C2171-V2257 HydrophobicContact CB-CG1 3.88Å; A2172-V2257 HydrophobicContact CB-CG1 4.47Å; N2253-V2257 VanDerWaalsContact O-CG2 3.3Å; N2253-V2257 WeakPolarHBondContact O-CG2 3.43Å; N2253-V2257 PolarHBondContact O-N 3.11Å; S2254-V2257 PolarHBondContact O-N 3.08Å; I2255-V2257 VanDerWaalsContact C-N 3.32Å; I2255-V2257 PolarHBondContact O-N 3.22Å; V2257-N2260 PolarHBondContact O-N 3.13Å; V2257-Y2261 WeakPolarHBondContact O-CB 3.43Å; V2257-Y2261 PolarHBondContact O-N 2.9Å |
| 2258 | I | 81.9 | Confident | 72.7 | Confident | 7.5 Ų | 7.5 | 68.3 Ų | 68.3 | 4% | 0.038 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 178.7 | -63 | 167.7 | 0 | 0 | 0 | 110.7 | I2158 E2161 V2168 F2240 S2254 I2255 N2260 Y2261 R2262 | I2158-I2258 HydrophobicContact CD1-CG2 4.35Å; E2161-I2258 WeakPolarHBondContact OE2-CD1 3.31Å; V2168-I2258 HydrophobicContact CG1-CD1 4.44Å; V2168-I2258 HydrophobicContact CG1-CG1 3.84Å; V2168-I2258 HydrophobicContact CG2-CD1 4.45Å; F2240-I2258 HydrophobicContact CE2-CG2 4.06Å; F2240-I2258 HydrophobicContact CZ-CG2 4.42Å; S2254-I2258 WeakPolarHBondContact O-CG1 3.46Å; S2254-I2258 PolarHBondContact O-N 3.17Å; S2254-I2258 VanDerWaalsContact O-N 3.1Å; I2255-I2258 PolarHBondContact O-N 3.04Å; I2258-N2260 VanDerWaalsContact C-N 3.32Å; I2258-N2260 PolarHBondContact O-N 3.33Å; I2258-Y2261 WeakPolarHBondContact O-CB 3.47Å; I2258-Y2261 PolarHBondContact O-N 3.41Å; I2258-R2262 WeakPolarHBondContact O-CG 3.22Å; I2258-R2262 PolarHBondContact O-N 3.42Å |
| 2259 | I | 80.7 | Confident | 75.3 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 34% | 0.338 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 176.8 | -68.6 | 167.9 | 0 | 0 | 0 | 110.7 | I2255 T2256 Y2261 R2262 K2263 | I2255-I2259 HydrophobicContact CG2-CD1 3.8Å; I2255-I2259 HydrophobicContact CG2-CG1 4.39Å; I2255-I2259 VanDerWaalsContact O-CG1 3.3Å; I2255-I2259 WeakPolarHBondContact O-CG1 3.17Å; I2255-I2259 PolarHBondContact O-N 3.15Å; T2256-I2259 PolarHBondContact O-N 3.11Å; I2259-Y2261 VanDerWaalsContact C-N 3.3Å; I2259-Y2261 PolarHBondContact O-N 3.4Å; I2259-R2262 PolarHBondContact O-N 3.02Å; I2259-K2263 HydrophobicContact CG2-CD 4.29Å; I2259-K2263 WeakPolarHBondContact O-CG 3.41Å; I2259-K2263 PolarHBondContact O-N 3.18Å |
| 2260 | N | 83.8 | Confident | 77.6 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -32.6 | -179.9 | -71.6 | -23.7 | 0 | 0 | 0 | 112.5 | T2256 V2257 I2258 A2264 | T2256-N2260 WeakPolarHBondContact O-CB 3.31Å; T2256-N2260 PolarHBondContact O-N 3.41Å; T2256-N2260 PolarHBondContact O-ND2 3Å; V2257-N2260 PolarHBondContact O-N 3.13Å; I2258-N2260 VanDerWaalsContact C-N 3.32Å; I2258-N2260 PolarHBondContact O-N 3.33Å; N2260-A2264 WeakPolarHBondContact O-CB 3.4Å; N2260-A2264 PolarHBondContact O-N 2.99Å; N2260-A2264 VanDerWaalsContact O-N 3.11Å |
| 2261 | Y | 88.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -48.6 | 173.5 | 164 | -114.2 | 0 | 0 | 0 | 111.9 | A2154 E2155 I2158 C2171 A2174 L2178 V2257 I2258 I2259 K2263 A2264 I2265 | A2154-Y2261 HydrophobicContact CB-CE1 4.27Å; A2154-Y2261 HydrophobicContact CB-CE2 4.43Å; E2155-Y2261 VanDerWaalsContact OE1-CE1 3.3Å; E2155-Y2261 WeakPolarHBondContact OE1-CE1 3.44Å; E2155-Y2261 PolarHBondContact OE1-OH 2.77Å; I2158-Y2261 HydrophobicContact CD1-CD1 4.16Å; I2158-Y2261 HydrophobicContact CD1-CE1 3.96Å; C2171-Y2261 HydrophobicContact CB-CD1 4.29Å; C2171-Y2261 HydrophobicContact CB-CG 4.06Å; A2174-Y2261 HydrophobicContact CB-CD2 3.88Å; A2174-Y2261 HydrophobicContact CB-CE2 3.49Å; A2174-Y2261 VanDerWaalsContact CB-CE2 3.46Å; L2178-Y2261 HydrophobicContact CD1-CE2 4.35Å; V2257-Y2261 WeakPolarHBondContact O-CB 3.43Å; V2257-Y2261 PolarHBondContact O-N 2.9Å; I2258-Y2261 WeakPolarHBondContact O-CB 3.47Å; I2258-Y2261 PolarHBondContact O-N 3.41Å; I2259-Y2261 VanDerWaalsContact C-N 3.3Å; I2259-Y2261 PolarHBondContact O-N 3.4Å; Y2261-K2263 VanDerWaalsContact C-N 3.33Å; Y2261-K2263 PolarHBondContact O-N 3.19Å; Y2261-A2264 WeakPolarHBondContact O-CA 3.43Å; Y2261-A2264 WeakPolarHBondContact O-CB 3.39Å; Y2261-A2264 PolarHBondContact O-N 3.16Å; Y2261-I2265 HydrophobicContact CD1-CD1 4.41Å; Y2261-I2265 HydrophobicContact CD2-CD1 4.39Å; Y2261-I2265 HydrophobicContact CD2-CG1 4.49Å; Y2261-I2265 HydrophobicContact CE1-CD1 3.79Å; Y2261-I2265 HydrophobicContact CE2-CD1 3.86Å; Y2261-I2265 HydrophobicContact CE2-CG1 4.05Å; Y2261-I2265 PolarHBondContact O-N 3.22Å |
| 2262 | R | 86.2 | Confident | 81.7 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 176 | -67.5 | -68.4 | -177.4 | -171.6 | -6.4 | 111.8 | E2155 I2258 I2259 A2264 I2265 D2266 | E2155-R2262 IonicContact OE1-CZ 3.28Å; E2155-R2262 IonicContact OE1-NH1 2.84Å; E2155-R2262 PolarHBondContact OE1-NH1 3.15Å; E2155-R2262 IonicContact OE1-NH2 3.42Å; E2155-R2262 PolarHBondContact OE1-NH2 3.34Å; E2155-R2262 IonicContact OE2-CZ 3.42Å; E2155-R2262 IonicContact OE2-NH1 3.51Å; E2155-R2262 PolarHBondContact OE2-NH1 2.86Å; E2155-R2262 IonicContact OE2-NH2 3.36Å; E2155-R2262 PolarHBondContact OE2-NH2 3.22Å; I2258-R2262 WeakPolarHBondContact O-CG 3.22Å; I2258-R2262 PolarHBondContact O-N 3.42Å; I2259-R2262 PolarHBondContact O-N 3.02Å; R2262-A2264 PolarHBondContact O-N 3.17Å; R2262-I2265 WeakPolarHBondContact O-CB 3.49Å; R2262-I2265 PolarHBondContact O-N 3.06Å; R2262-I2265 VanDerWaalsContact O-N 3.12Å; R2262-D2266 PolarHBondContact O-N 3.3Å; R2262-D2266 VanDerWaalsContact O-N 3.13Å |
| 2263 | K | 84.9 | Confident | 83.2 | Confident | 121.5 Ų | 121.5 | 42.6 Ų | 42.6 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.3 | -34.2 | 172.8 | -73.5 | 179.7 | 178.9 | -177.4 | 0 | 113 | I2259 Y2261 N2267 | I2259-K2263 HydrophobicContact CG2-CD 4.29Å; I2259-K2263 WeakPolarHBondContact O-CG 3.41Å; I2259-K2263 PolarHBondContact O-N 3.18Å; Y2261-K2263 VanDerWaalsContact C-N 3.33Å; Y2261-K2263 PolarHBondContact O-N 3.19Å; K2263-N2267 VanDerWaalsContact O-CB 3.31Å; K2263-N2267 WeakPolarHBondContact O-CB 3.39Å; K2263-N2267 VanDerWaalsContact O-CG 3.23Å; K2263-N2267 PolarHBondContact O-N 3.27Å; K2263-N2267 PolarHBondContact O-ND2 2.98Å |
| 2264 | A | 88.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.2 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R2175 L2178 N2260 Y2261 R2262 A2268 | R2175-A2264 HydrophobicContact CB-CB 4.46Å; R2175-A2264 HydrophobicContact CG-CB 3.86Å; L2178-A2264 HydrophobicContact CB-CB 4.41Å; L2178-A2264 HydrophobicContact CD1-CB 4.38Å; N2260-A2264 WeakPolarHBondContact O-CB 3.4Å; N2260-A2264 PolarHBondContact O-N 2.99Å; N2260-A2264 VanDerWaalsContact O-N 3.11Å; Y2261-A2264 WeakPolarHBondContact O-CA 3.43Å; Y2261-A2264 WeakPolarHBondContact O-CB 3.39Å; Y2261-A2264 PolarHBondContact O-N 3.16Å; R2262-A2264 PolarHBondContact O-N 3.17Å; A2264-A2268 VanDerWaalsContact O-CB 3.23Å; A2264-A2268 WeakPolarHBondContact O-CB 3.29Å; A2264-A2268 PolarHBondContact O-N 3.18Å |
| 2265 | I | 89.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -53 | 171.6 | -66.9 | 169.1 | 0 | 0 | 0 | 110.2 | L2178 L2230 L2233 Y2261 R2262 N2267 A2268 L2269 | L2178-I2265 HydrophobicContact CD1-CG1 3.81Å; L2230-I2265 HydrophobicContact CD2-CB 4.46Å; L2230-I2265 HydrophobicContact CD2-CG1 4.33Å; L2230-I2265 HydrophobicContact CD2-CG2 3.89Å; L2233-I2265 HydrophobicContact CB-CD1 4.18Å; L2233-I2265 HydrophobicContact CB-CG2 4.29Å; L2233-I2265 HydrophobicContact CD1-CD1 4.11Å; Y2261-I2265 HydrophobicContact CD1-CD1 4.41Å; Y2261-I2265 HydrophobicContact CD2-CD1 4.39Å; Y2261-I2265 HydrophobicContact CD2-CG1 4.49Å; Y2261-I2265 HydrophobicContact CE1-CD1 3.79Å; Y2261-I2265 HydrophobicContact CE2-CD1 3.86Å; Y2261-I2265 HydrophobicContact CE2-CG1 4.05Å; Y2261-I2265 PolarHBondContact O-N 3.22Å; R2262-I2265 WeakPolarHBondContact O-CB 3.49Å; R2262-I2265 PolarHBondContact O-N 3.06Å; R2262-I2265 VanDerWaalsContact O-N 3.12Å; I2265-N2267 VanDerWaalsContact C-N 3.32Å; I2265-N2267 PolarHBondContact O-N 3.18Å; I2265-A2268 PolarHBondContact O-N 3.09Å; I2265-A2268 VanDerWaalsContact O-N 3.15Å; I2265-L2269 WeakPolarHBondContact O-CB 3.27Å; I2265-L2269 PolarHBondContact O-N 3.27Å |
| 2266 | D | 84.4 | Confident | 86 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.2 | -41.4 | -177.9 | -66.1 | -31.3 | 0 | 0 | 0 | 111.6 | S2234 R2262 L2269 R2270 | S2234-D2266 WeakPolarHBondContact CB-OD1 3.35Å; S2234-D2266 PolarHBondContact OG-OD1 3.01Å; R2262-D2266 PolarHBondContact O-N 3.3Å; R2262-D2266 VanDerWaalsContact O-N 3.13Å; D2266-L2269 PolarHBondContact O-N 3.42Å; D2266-R2270 VanDerWaalsContact O-CB 3.23Å; D2266-R2270 WeakPolarHBondContact O-CB 3.4Å; D2266-R2270 PolarHBondContact O-N 3.26Å |
| 2267 | N | 87.9 | Confident | 86.4 | Confident | 68.5 Ų | 68.5 | 34.8 Ų | 34.8 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.4 | -77.7 | -39 | 0 | 0 | 0 | 112.5 | K2263 I2265 R2270 T2271 | K2263-N2267 VanDerWaalsContact O-CB 3.31Å; K2263-N2267 WeakPolarHBondContact O-CB 3.39Å; K2263-N2267 VanDerWaalsContact O-CG 3.23Å; K2263-N2267 PolarHBondContact O-N 3.27Å; K2263-N2267 PolarHBondContact O-ND2 2.98Å; I2265-N2267 VanDerWaalsContact C-N 3.32Å; I2265-N2267 PolarHBondContact O-N 3.18Å; N2267-R2270 PolarHBondContact O-N 2.94Å; N2267-R2270 PolarHBondContact OD1-NH2 3.25Å; N2267-T2271 WeakPolarHBondContact O-CB 3.32Å; N2267-T2271 PolarHBondContact O-N 3.26Å; N2267-T2271 PolarHBondContact O-OG1 3.34Å; N2267-T2271 VanDerWaalsContact O-OG1 3.1Å |
| 2268 | A | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -51.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2178 V2182 A2264 I2265 R2270 T2271 L2272 | L2178-A2268 HydrophobicContact CB-CB 4.27Å; L2178-A2268 HydrophobicContact CD2-CB 3.82Å; V2182-A2268 VanDerWaalsContact CG2-CA 3.43Å; V2182-A2268 HydrophobicContact CG2-CB 3.88Å; A2264-A2268 VanDerWaalsContact O-CB 3.23Å; A2264-A2268 WeakPolarHBondContact O-CB 3.29Å; A2264-A2268 PolarHBondContact O-N 3.18Å; I2265-A2268 PolarHBondContact O-N 3.09Å; I2265-A2268 VanDerWaalsContact O-N 3.15Å; A2268-R2270 PolarHBondContact O-N 2.84Å; A2268-T2271 PolarHBondContact O-N 3.02Å; A2268-L2272 HydrophobicContact CB-CD1 4.44Å; A2268-L2272 VanDerWaalsContact O-CB 3.23Å; A2268-L2272 WeakPolarHBondContact O-CB 3.42Å; A2268-L2272 WeakPolarHBondContact O-CD1 3.37Å; A2268-L2272 WeakPolarHBondContact O-CG 3.32Å; A2268-L2272 PolarHBondContact O-N 3.01Å |
| 2269 | L | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 177.5 | -174.3 | 68.4 | 0 | 0 | 0 | 111.2 | L2230 V2231 I2265 D2266 T2271 L2272 I2273 F2288 | L2230-L2269 HydrophobicContact CB-CD1 3.97Å; V2231-L2269 HydrophobicContact CG2-CD1 3.93Å; V2231-L2269 HydrophobicContact CG2-CD2 4.49Å; I2265-L2269 WeakPolarHBondContact O-CB 3.27Å; I2265-L2269 PolarHBondContact O-N 3.27Å; D2266-L2269 PolarHBondContact O-N 3.42Å; L2269-T2271 VanDerWaalsContact C-N 3.32Å; L2269-T2271 PolarHBondContact O-N 2.96Å; L2269-L2272 PolarHBondContact O-N 3.04Å; L2269-I2273 HydrophobicContact CD1-CD1 3.75Å; L2269-I2273 HydrophobicContact CD1-CG1 4.17Å; L2269-I2273 HydrophobicContact CD2-CD1 4.43Å; L2269-I2273 HydrophobicContact CG-CD1 3.72Å; L2269-I2273 HydrophobicContact CG-CG1 4.4Å; L2269-I2273 VanDerWaalsContact O-CB 3.31Å; L2269-I2273 WeakPolarHBondContact O-CB 3.35Å; L2269-I2273 VanDerWaalsContact O-CG1 3.29Å; L2269-I2273 WeakPolarHBondContact O-CG1 3.26Å; L2269-I2273 PolarHBondContact O-N 3.01Å; L2269-F2288 HydrophobicContact CD2-CE2 4.13Å; L2269-F2288 HydrophobicContact CD2-CZ 3.81Å |
| 2270 | R | 88 | Confident | 87.3 | Confident | 69 Ų | 69 | 30.1 Ų | 30.1 | 26% | 0.26 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -56.9 | -44 | 178.6 | -174.4 | 176.5 | 61.8 | 175.8 | -3.5 | 112.3 | D2266 N2267 A2268 G2274 E2360 I2361 N2364 | D2266-R2270 VanDerWaalsContact O-CB 3.23Å; D2266-R2270 WeakPolarHBondContact O-CB 3.4Å; D2266-R2270 PolarHBondContact O-N 3.26Å; N2267-R2270 PolarHBondContact O-N 2.94Å; N2267-R2270 PolarHBondContact OD1-NH2 3.25Å; A2268-R2270 PolarHBondContact O-N 2.84Å; R2270-G2274 PolarHBondContact O-N 3.09Å; R2270-E2360 IonicContact CZ-OE2 3.19Å; R2270-E2360 IonicContact NH1-OE2 3.37Å; R2270-E2360 PolarHBondContact NH1-OE2 2.9Å; R2270-I2361 HydrophobicContact CB-CG1 3.74Å; R2270-I2361 HydrophobicContact CG-CG1 3.92Å; R2270-N2364 PolarHBondContact O-ND2 3Å |
| 2271 | T | 88.7 | Confident | 87.5 | Confident | 29 Ų | 29 | 27.8 Ų | 27.8 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.7 | -44.1 | -178.9 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | V2182 N2267 A2268 L2269 G2274 I2275 | V2182-T2271 HydrophobicContact CG1-CG2 4.06Å; N2267-T2271 WeakPolarHBondContact O-CB 3.32Å; N2267-T2271 PolarHBondContact O-N 3.26Å; N2267-T2271 PolarHBondContact O-OG1 3.34Å; N2267-T2271 VanDerWaalsContact O-OG1 3.1Å; A2268-T2271 PolarHBondContact O-N 3.02Å; L2269-T2271 VanDerWaalsContact C-N 3.32Å; L2269-T2271 PolarHBondContact O-N 2.96Å; T2271-G2274 PolarHBondContact O-N 3.05Å; T2271-G2274 VanDerWaalsContact O-N 3.13Å; T2271-I2275 HydrophobicContact CG2-CD1 3.54Å; T2271-I2275 HydrophobicContact CG2-CG1 4.48Å; T2271-I2275 VanDerWaalsContact O-CG1 3.24Å; T2271-I2275 WeakPolarHBondContact O-CG1 3.45Å; T2271-I2275 PolarHBondContact O-N 2.96Å |
| 2272 | L | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 179.7 | -74.5 | 171.2 | 0 | 0 | 0 | 111.6 | L2181 M2185 L2226 L2230 A2268 L2269 G2274 I2275 C2276 I2279 | L2181-L2272 HydrophobicContact CD2-CD1 3.85Å; L2181-L2272 HydrophobicContact CD2-CD2 4.21Å; L2181-L2272 HydrophobicContact CD2-CG 4.49Å; L2181-L2272 HydrophobicContact CG-CD2 4.18Å; M2185-L2272 HydrophobicContact CB-CD2 4.43Å; M2185-L2272 HydrophobicContact CE-CD2 3.72Å; M2185-L2272 HydrophobicContact CG-CD2 3.75Å; M2185-L2272 HydrophobicContact SD-CD2 4.44Å; L2226-L2272 HydrophobicContact CD2-CD1 4.1Å; L2230-L2272 HydrophobicContact CD1-CD1 3.74Å; A2268-L2272 HydrophobicContact CB-CD1 4.44Å; A2268-L2272 VanDerWaalsContact O-CB 3.23Å; A2268-L2272 WeakPolarHBondContact O-CB 3.42Å; A2268-L2272 WeakPolarHBondContact O-CD1 3.37Å; A2268-L2272 WeakPolarHBondContact O-CG 3.32Å; A2268-L2272 PolarHBondContact O-N 3.01Å; L2269-L2272 PolarHBondContact O-N 3.04Å; L2272-G2274 VanDerWaalsContact C-N 3.26Å; L2272-G2274 PolarHBondContact O-N 2.88Å; L2272-I2275 PolarHBondContact O-N 2.98Å; L2272-I2275 VanDerWaalsContact O-N 3.14Å; L2272-C2276 PolarHBondContact O-N 3.09Å; L2272-I2279 HydrophobicContact CB-CD1 3.76Å; L2272-I2279 HydrophobicContact CB-CG2 4.33Å; L2272-I2279 HydrophobicContact CD1-CD1 4.41Å; L2272-I2279 HydrophobicContact CD2-CD1 3.88Å; L2272-I2279 HydrophobicContact CG-CD1 4.23Å |
| 2273 | I | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 173.4 | -71.8 | 175.6 | 0 | 0 | 0 | 109.9 | L2269 I2275 I2279 K2280 F2288 I2361 N2364 L2365 | L2269-I2273 HydrophobicContact CD1-CD1 3.75Å; L2269-I2273 HydrophobicContact CD1-CG1 4.17Å; L2269-I2273 HydrophobicContact CD2-CD1 4.43Å; L2269-I2273 HydrophobicContact CG-CD1 3.72Å; L2269-I2273 HydrophobicContact CG-CG1 4.4Å; L2269-I2273 VanDerWaalsContact O-CB 3.31Å; L2269-I2273 WeakPolarHBondContact O-CB 3.35Å; L2269-I2273 VanDerWaalsContact O-CG1 3.29Å; L2269-I2273 WeakPolarHBondContact O-CG1 3.26Å; L2269-I2273 PolarHBondContact O-N 3.01Å; I2273-I2275 PolarHBondContact O-N 3.25Å; I2273-I2279 HydrophobicContact CG1-CG2 4Å; I2273-K2280 HydrophobicContact CG2-CG 4.22Å; I2273-K2280 WeakPolarHBondContact O-CE 3.48Å; I2273-K2280 VanDerWaalsContact O-CG 3.32Å; I2273-K2280 WeakPolarHBondContact O-CG 3.38Å; I2273-F2288 HydrophobicContact CD1-CD1 4.44Å; I2273-F2288 HydrophobicContact CD1-CE1 3.91Å; I2273-I2361 HydrophobicContact CD1-CG2 3.9Å; I2273-N2364 HydrophobicContact CG2-CB 4.14Å; I2273-L2365 HydrophobicContact CD1-CD1 4.32Å; I2273-L2365 VanDerWaalsContact CG2-CA 3.48Å; I2273-L2365 HydrophobicContact CG2-CB 3.81Å; I2273-L2365 HydrophobicContact CG2-CD1 3.89Å; I2273-L2365 HydrophobicContact CG2-CG 4.41Å |
| 2274 | G | 85.9 | Confident | 87.5 | Confident | 19.5 Ų | 19.5 | 19.9 Ų | 19.9 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -23.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | R2270 T2271 L2272 | R2270-G2274 PolarHBondContact O-N 3.09Å; T2271-G2274 PolarHBondContact O-N 3.05Å; T2271-G2274 VanDerWaalsContact O-N 3.13Å; L2272-G2274 VanDerWaalsContact C-N 3.26Å; L2272-G2274 PolarHBondContact O-N 2.88Å |
| 2275 | I | 86.5 | Confident | 87.4 | Confident | 31.5 Ų | 31.5 | 25.3 Ų | 25.3 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -113.9 | -41.1 | -164.5 | -62.8 | 175.1 | 0 | 0 | 0 | 112.5 | M2185 V2191 V2197 T2271 L2272 I2273 | M2185-I2275 HydrophobicContact CB-CD1 4.27Å; M2185-I2275 WeakPolarHBondContact O-CD1 3.32Å; V2191-I2275 HydrophobicContact CB-CG2 4.4Å; V2191-I2275 HydrophobicContact CG1-CG2 3.38Å; V2191-I2275 VanDerWaalsContact CG1-CG2 3.41Å; V2191-I2275 HydrophobicContact CG2-CG2 4.09Å; V2197-I2275 HydrophobicContact CG1-CG2 4.41Å; V2197-I2275 HydrophobicContact CG2-CG2 3.86Å; T2271-I2275 HydrophobicContact CG2-CD1 3.54Å; T2271-I2275 HydrophobicContact CG2-CG1 4.48Å; T2271-I2275 VanDerWaalsContact O-CG1 3.24Å; T2271-I2275 WeakPolarHBondContact O-CG1 3.45Å; T2271-I2275 PolarHBondContact O-N 2.96Å; L2272-I2275 PolarHBondContact O-N 2.98Å; L2272-I2275 VanDerWaalsContact O-N 3.14Å; I2273-I2275 PolarHBondContact O-N 3.25Å |
| 2276 | C | 85.4 | Confident | 87 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -105.3 | 122.9 | -171.6 | -175 | 0 | 0 | 0 | 0 | 111.6 | M2185 L2272 I2279 K2280 | M2185-C2276 HydrophobicContact CE-CB 3.99Å; L2272-C2276 PolarHBondContact O-N 3.09Å; C2276-I2279 HydrophobicContact CB-CB 4.23Å; C2276-I2279 HydrophobicContact CB-CD1 3.84Å; C2276-I2279 HydrophobicContact CB-CG1 3.94Å; C2276-I2279 PolarHBondContact O-N 3.14Å; C2276-K2280 PolarHBondContact O-N 3.17Å | ||
| 2277 | H | 85.7 | Confident | 86.9 | Confident | 77.5 Ų | 77.5 | 26.6 Ų | 26.6 | 36% | 0.359 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.5 | -38.7 | -178.3 | -176.6 | 67.6 | 0 | 0 | 0 | 112.7 | E2201 I2279 K2280 I2281 E2371 | E2201-H2277 PolarHBondContact OE1-N 3.42Å; E2201-H2277 VanDerWaalsContact OE1-N 3.1Å; H2277-I2279 VanDerWaalsContact C-N 3.28Å; H2277-I2279 PolarHBondContact O-N 3.21Å; H2277-K2280 WeakPolarHBondContact O-CB 3.28Å; H2277-K2280 PolarHBondContact O-N 3.38Å; H2277-K2280 VanDerWaalsContact O-N 3.08Å; H2277-I2281 PolarHBondContact O-N 3.1Å; H2277-I2281 VanDerWaalsContact O-N 3.13Å; H2277-E2371 IonicContact CE1-OE2 3.96Å |
| 2278 | A | 84.1 | Confident | 86.9 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.5 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y2204 I2281 T2282 | Y2204-A2278 HydrophobicContact CD1-CB 3.72Å; Y2204-A2278 HydrophobicContact CD2-CB 3.82Å; Y2204-A2278 HydrophobicContact CE1-CB 4.34Å; Y2204-A2278 HydrophobicContact CE2-CB 4.43Å; Y2204-A2278 HydrophobicContact CG-CB 3.42Å; Y2204-A2278 VanDerWaalsContact CG-CB 3.42Å; A2278-I2281 PolarHBondContact O-N 3.22Å; A2278-T2282 WeakPolarHBondContact O-CB 3.16Å; A2278-T2282 PolarHBondContact O-N 3.09Å; A2278-T2282 PolarHBondContact O-OG1 3.19Å |
| 2279 | I | 86.8 | Confident | 86.8 | Confident | 4.5 Ų | 4.5 | 23.4 Ų | 23.4 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | 178.5 | -62.9 | -177.4 | 0 | 0 | 0 | 110.6 | I2223 T2227 L2272 I2273 C2276 H2277 A2283 | I2223-I2279 HydrophobicContact CG2-CG1 4.19Å; T2227-I2279 HydrophobicContact CG2-CB 4.44Å; T2227-I2279 HydrophobicContact CG2-CG2 3.64Å; L2272-I2279 HydrophobicContact CB-CD1 3.76Å; L2272-I2279 HydrophobicContact CB-CG2 4.33Å; L2272-I2279 HydrophobicContact CD1-CD1 4.41Å; L2272-I2279 HydrophobicContact CD2-CD1 3.88Å; L2272-I2279 HydrophobicContact CG-CD1 4.23Å; I2273-I2279 HydrophobicContact CG1-CG2 4Å; C2276-I2279 HydrophobicContact CB-CB 4.23Å; C2276-I2279 HydrophobicContact CB-CD1 3.84Å; C2276-I2279 HydrophobicContact CB-CG1 3.94Å; C2276-I2279 PolarHBondContact O-N 3.14Å; H2277-I2279 VanDerWaalsContact C-N 3.28Å; H2277-I2279 PolarHBondContact O-N 3.21Å; I2279-A2283 WeakPolarHBondContact O-CB 3.3Å; I2279-A2283 PolarHBondContact O-N 3.41Å |
| 2280 | K | 89.5 | Confident | 86.7 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 5% | 0.048 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -49.5 | 175.3 | -65.2 | -179.7 | -178.9 | 177.8 | 0 | 111.4 | I2273 C2276 H2277 A2283 L2284 N2364 L2365 Y2367 C2369 | I2273-K2280 HydrophobicContact CG2-CG 4.22Å; I2273-K2280 WeakPolarHBondContact O-CE 3.48Å; I2273-K2280 VanDerWaalsContact O-CG 3.32Å; I2273-K2280 WeakPolarHBondContact O-CG 3.38Å; C2276-K2280 PolarHBondContact O-N 3.17Å; H2277-K2280 WeakPolarHBondContact O-CB 3.28Å; H2277-K2280 PolarHBondContact O-N 3.38Å; H2277-K2280 VanDerWaalsContact O-N 3.08Å; K2280-A2283 PolarHBondContact O-N 3.08Å; K2280-L2284 VanDerWaalsContact O-CG 3.29Å; K2280-L2284 WeakPolarHBondContact O-CG 3.4Å; K2280-L2284 PolarHBondContact O-N 3.27Å; K2280-N2364 VanDerWaalsContact CE-O 3.25Å; K2280-N2364 WeakPolarHBondContact CE-O 3.32Å; K2280-N2364 PolarHBondContact NZ-O 2.81Å; K2280-L2365 HydrophobicContact CB-CD1 4.06Å; K2280-L2365 HydrophobicContact CG-CD1 4.24Å; K2280-Y2367 PolarHBondContact NZ-O 3.44Å; K2280-C2369 HydrophobicContact CD-CB 3.83Å |
| 2281 | I | 87.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 28 Ų | 28 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | -178.7 | -59.7 | -57 | 0 | 0 | 0 | 110.6 | Y2204 H2277 A2278 A2283 L2284 E2285 E2371 | Y2204-I2281 VanDerWaalsContact OH-CG2 3.3Å; Y2204-I2281 WeakPolarHBondContact OH-CG2 3.36Å; H2277-I2281 PolarHBondContact O-N 3.1Å; H2277-I2281 VanDerWaalsContact O-N 3.13Å; A2278-I2281 PolarHBondContact O-N 3.22Å; I2281-A2283 VanDerWaalsContact C-N 3.34Å; I2281-A2283 PolarHBondContact O-N 2.93Å; I2281-L2284 HydrophobicContact CD1-CD1 4.26Å; I2281-L2284 WeakPolarHBondContact O-CB 3.35Å; I2281-L2284 PolarHBondContact O-N 3.1Å; I2281-L2284 VanDerWaalsContact O-N 3.1Å; I2281-E2285 HydrophobicContact CG2-CG 4.42Å; I2281-E2285 WeakPolarHBondContact O-CG 3.3Å; I2281-E2285 PolarHBondContact O-N 3.42Å; I2281-E2371 HydrophobicContact CD1-CB 4.44Å |
| 2282 | T | 85.4 | Confident | 86.7 | Confident | 0.5 Ų | 0.5 | 26.7 Ų | 26.7 | 0% | 0.003 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.7 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | V2224 T2227 R2228 A2278 L2284 E2285 D2286 | V2224-T2282 HydrophobicContact CB-CG2 4.31Å; V2224-T2282 HydrophobicContact CG1-CG2 3.8Å; V2224-T2282 HydrophobicContact CG2-CG2 4.36Å; T2227-T2282 HydrophobicContact CG2-CG2 4.14Å; R2228-T2282 HydrophobicContact CG-CG2 4.37Å; A2278-T2282 WeakPolarHBondContact O-CB 3.16Å; A2278-T2282 PolarHBondContact O-N 3.09Å; A2278-T2282 PolarHBondContact O-OG1 3.19Å; T2282-L2284 VanDerWaalsContact C-N 3.32Å; T2282-L2284 PolarHBondContact O-N 2.93Å; T2282-E2285 PolarHBondContact O-N 3.29Å; T2282-D2286 PolarHBondContact O-N 3.25Å; T2282-D2286 VanDerWaalsContact O-N 3.14Å |
| 2283 | A | 87.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2227 V2231 I2279 K2280 I2281 F2288 L2365 | T2227-A2283 HydrophobicContact CG2-CB 4.42Å; V2231-A2283 HydrophobicContact CG2-CB 4.2Å; I2279-A2283 WeakPolarHBondContact O-CB 3.3Å; I2279-A2283 PolarHBondContact O-N 3.41Å; K2280-A2283 PolarHBondContact O-N 3.08Å; I2281-A2283 VanDerWaalsContact C-N 3.34Å; I2281-A2283 PolarHBondContact O-N 2.93Å; A2283-F2288 HydrophobicContact CB-CB 4.19Å; A2283-F2288 HydrophobicContact CB-CD1 4.22Å; A2283-F2288 HydrophobicContact CB-CG 4.47Å; A2283-F2288 WeakPolarHBondContact O-CB 3.44Å; A2283-F2288 PolarHBondContact O-N 3.14Å; A2283-F2288 VanDerWaalsContact O-N 3.12Å; A2283-L2365 HydrophobicContact CB-CD1 4.35Å |
| 2284 | L | 87.3 | Confident | 86.6 | Confident | 8.5 Ų | 8.5 | 29.3 Ų | 29.3 | 5% | 0.045 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 174.5 | -70.7 | 167 | 0 | 0 | 0 | 112.4 | K2280 I2281 T2282 D2286 G2287 L2289 L2365 A2372 | K2280-L2284 VanDerWaalsContact O-CG 3.29Å; K2280-L2284 WeakPolarHBondContact O-CG 3.4Å; K2280-L2284 PolarHBondContact O-N 3.27Å; I2281-L2284 HydrophobicContact CD1-CD1 4.26Å; I2281-L2284 WeakPolarHBondContact O-CB 3.35Å; I2281-L2284 PolarHBondContact O-N 3.1Å; I2281-L2284 VanDerWaalsContact O-N 3.1Å; T2282-L2284 VanDerWaalsContact C-N 3.32Å; T2282-L2284 PolarHBondContact O-N 2.93Å; L2284-D2286 VanDerWaalsContact C-N 3.28Å; L2284-D2286 PolarHBondContact O-N 3.1Å; L2284-G2287 PolarHBondContact O-N 3.16Å; L2284-L2289 HydrophobicContact CD2-CB 4.05Å; L2284-L2289 HydrophobicContact CD2-CD2 3.78Å; L2284-L2365 HydrophobicContact CD2-CD2 3.91Å; L2284-L2365 HydrophobicContact CD2-CG 4.35Å; L2284-L2365 HydrophobicContact CG-CD1 4.42Å; L2284-A2372 HydrophobicContact CD1-CB 3.71Å; L2284-A2372 HydrophobicContact CD2-CB 4.04Å; L2284-A2372 HydrophobicContact CG-CB 4.36Å |
| 2285 | E | 85.3 | Confident | 86.6 | Confident | 121.5 Ų | 121.5 | 30.5 Ų | 30.5 | 57% | 0.568 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -64.1 | -34.9 | 178.6 | -72.8 | 175.8 | 173.8 | 0 | 0 | 112 | I2281 T2282 G2287 | I2281-E2285 HydrophobicContact CG2-CG 4.42Å; I2281-E2285 WeakPolarHBondContact O-CG 3.3Å; I2281-E2285 PolarHBondContact O-N 3.42Å; T2282-E2285 PolarHBondContact O-N 3.29Å; E2285-G2287 PolarHBondContact O-N 3.31Å |
| 2286 | D | 81.4 | Confident | 86.7 | Confident | 58.5 Ų | 58.5 | 29 Ų | 29 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4.5 | 178.4 | -69.9 | -13.8 | 0 | 0 | 0 | 113.9 | R2228 T2282 L2284 F2288 | R2228-D2286 WeakPolarHBondContact CD-OD2 3.29Å; R2228-D2286 WeakPolarHBondContact CG-OD2 3.26Å; R2228-D2286 IonicContact CZ-OD1 3.33Å; R2228-D2286 VanDerWaalsContact CZ-OD1 3.29Å; R2228-D2286 VanDerWaalsContact NE-CG 3.28Å; R2228-D2286 IonicContact NE-OD1 2.93Å; R2228-D2286 PolarHBondContact NE-OD1 2.95Å; R2228-D2286 IonicContact NE-OD2 3.27Å; R2228-D2286 PolarHBondContact NE-OD2 3.11Å; R2228-D2286 VanDerWaalsContact NE-OD2 3.11Å; R2228-D2286 IonicContact NH2-OD1 3.02Å; R2228-D2286 PolarHBondContact NH2-OD1 3.34Å; T2282-D2286 PolarHBondContact O-N 3.25Å; T2282-D2286 VanDerWaalsContact O-N 3.14Å; L2284-D2286 VanDerWaalsContact C-N 3.28Å; L2284-D2286 PolarHBondContact O-N 3.1Å; D2286-F2288 VanDerWaalsContact C-N 3.32Å; D2286-F2288 PolarHBondContact O-N 3.3Å |
| 2287 | G | 83.5 | Confident | 86.9 | Confident | 24.5 Ų | 24.5 | 33.8 Ų | 33.8 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 18.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L2284 E2285 L2289 E2290 E2291 | L2284-G2287 PolarHBondContact O-N 3.16Å; E2285-G2287 PolarHBondContact O-N 3.31Å; G2287-L2289 PolarHBondContact O-N 2.9Å; G2287-E2290 VanDerWaalsContact CA-OE2 3.29Å; G2287-E2290 WeakPolarHBondContact CA-OE2 3.37Å; G2287-E2290 PolarHBondContact O-N 3.2Å; G2287-E2291 PolarHBondContact O-N 3.41Å |
| 2288 | F | 87.3 | Confident | 87 | Confident | 1.5 Ų | 1.5 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -33.1 | -178.6 | 177.2 | -112.6 | 0 | 0 | 0 | 113 | V2231 L2269 I2273 A2283 D2286 S2292 I2361 L2365 | V2231-F2288 HydrophobicContact CB-CD2 4.21Å; V2231-F2288 HydrophobicContact CG1-CB 3.98Å; V2231-F2288 HydrophobicContact CG1-CD2 3.5Å; V2231-F2288 VanDerWaalsContact CG1-CD2 3.46Å; V2231-F2288 HydrophobicContact CG1-CE2 4.31Å; V2231-F2288 HydrophobicContact CG1-CG 4.02Å; V2231-F2288 HydrophobicContact CG2-CB 4.39Å; V2231-F2288 HydrophobicContact CG2-CD2 3.99Å; V2231-F2288 HydrophobicContact CG2-CE2 4.43Å; V2231-F2288 HydrophobicContact CG2-CG 4.08Å; L2269-F2288 HydrophobicContact CD2-CE2 4.13Å; L2269-F2288 HydrophobicContact CD2-CZ 3.81Å; I2273-F2288 HydrophobicContact CD1-CD1 4.44Å; I2273-F2288 HydrophobicContact CD1-CE1 3.91Å; A2283-F2288 HydrophobicContact CB-CB 4.19Å; A2283-F2288 HydrophobicContact CB-CD1 4.22Å; A2283-F2288 HydrophobicContact CB-CG 4.47Å; A2283-F2288 WeakPolarHBondContact O-CB 3.44Å; A2283-F2288 PolarHBondContact O-N 3.14Å; A2283-F2288 VanDerWaalsContact O-N 3.12Å; D2286-F2288 VanDerWaalsContact C-N 3.32Å; D2286-F2288 PolarHBondContact O-N 3.3Å; F2288-S2292 WeakPolarHBondContact CE1-OG 2.97Å; F2288-S2292 WeakPolarHBondContact CZ-OG 3.2Å; F2288-S2292 VanDerWaalsContact O-CB 3.24Å; F2288-S2292 WeakPolarHBondContact O-CB 3.46Å; F2288-S2292 PolarHBondContact O-N 3.26Å; F2288-S2292 PolarHBondContact O-OG 3.17Å; F2288-I2361 HydrophobicContact CE1-CG2 3.56Å; F2288-I2361 HydrophobicContact CZ-CG2 3.77Å; F2288-L2365 HydrophobicContact CD1-CD1 4.21Å |
| 2289 | L | 88.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -50.2 | -179.6 | 170.9 | 63.6 | 0 | 0 | 0 | 110.9 | L2284 G2287 E2291 S2292 I2293 L2362 L2365 R2375 A2376 | L2284-L2289 HydrophobicContact CD2-CB 4.05Å; L2284-L2289 HydrophobicContact CD2-CD2 3.78Å; G2287-L2289 PolarHBondContact O-N 2.9Å; L2289-E2291 VanDerWaalsContact C-N 3.33Å; L2289-E2291 PolarHBondContact O-N 3.32Å; L2289-S2292 PolarHBondContact O-N 3.23Å; L2289-I2293 HydrophobicContact CD1-CD1 3.99Å; L2289-I2293 HydrophobicContact CD1-CG1 4.42Å; L2289-I2293 HydrophobicContact CG-CD1 4.11Å; L2289-I2293 VanDerWaalsContact O-CG1 3.25Å; L2289-I2293 WeakPolarHBondContact O-CG1 3.48Å; L2289-I2293 PolarHBondContact O-N 3.44Å; L2289-L2362 HydrophobicContact CD1-CD2 3.54Å; L2289-L2362 VanDerWaalsContact CD1-CD2 3.48Å; L2289-L2365 HydrophobicContact CB-CD2 4.22Å; L2289-L2365 HydrophobicContact CD1-CD2 3.95Å; L2289-L2365 HydrophobicContact CG-CD2 4.5Å; L2289-R2375 HydrophobicContact CD2-CB 3.95Å; L2289-R2375 HydrophobicContact CD2-CG 4.05Å; L2289-A2376 HydrophobicContact CD1-CB 3.95Å; L2289-A2376 HydrophobicContact CD2-CB 4Å; L2289-A2376 HydrophobicContact CG-CB 4.5Å |
| 2290 | E | 89.3 | Confident | 87.1 | Confident | 68 Ų | 68 | 37.2 Ų | 37.2 | 32% | 0.318 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 179.4 | -65.8 | 78.1 | -175.7 | 0 | 0 | 110.7 | G2287 I2293 A2294 R2375 S2379 | G2287-E2290 VanDerWaalsContact CA-OE2 3.29Å; G2287-E2290 WeakPolarHBondContact CA-OE2 3.37Å; G2287-E2290 PolarHBondContact O-N 3.2Å; E2290-I2293 PolarHBondContact O-N 2.98Å; E2290-A2294 PolarHBondContact O-N 3.13Å; E2290-R2375 IonicContact OE1-NE 3.73Å; E2290-S2379 PolarHBondContact OE1-OG 3.37Å |
| 2291 | E | 87.3 | Confident | 86.9 | Confident | 100 Ų | 100 | 38.9 Ų | 38.9 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.8 | -40 | 176.8 | -165.8 | 172.6 | -177.1 | 0 | 0 | 112.1 | N2235 G2287 L2289 I2293 A2294 K2295 | N2235-E2291 WeakPolarHBondContact CB-OE1 3.25Å; N2235-E2291 PolarHBondContact ND2-OE2 2.97Å; G2287-E2291 PolarHBondContact O-N 3.41Å; L2289-E2291 VanDerWaalsContact C-N 3.33Å; L2289-E2291 PolarHBondContact O-N 3.32Å; E2291-I2293 VanDerWaalsContact C-N 3.33Å; E2291-I2293 PolarHBondContact O-N 3.19Å; E2291-A2294 WeakPolarHBondContact O-CB 3.32Å; E2291-A2294 PolarHBondContact O-N 3.12Å; E2291-K2295 WeakPolarHBondContact O-CB 3.22Å; E2291-K2295 PolarHBondContact O-N 3.24Å |
| 2292 | S | 87.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.2 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | F2288 L2289 K2295 L2296 N2358 | F2288-S2292 WeakPolarHBondContact CE1-OG 2.97Å; F2288-S2292 WeakPolarHBondContact CZ-OG 3.2Å; F2288-S2292 VanDerWaalsContact O-CB 3.24Å; F2288-S2292 WeakPolarHBondContact O-CB 3.46Å; F2288-S2292 PolarHBondContact O-N 3.26Å; F2288-S2292 PolarHBondContact O-OG 3.17Å; L2289-S2292 PolarHBondContact O-N 3.23Å; S2292-K2295 PolarHBondContact O-N 3.17Å; S2292-L2296 WeakPolarHBondContact O-CG 3.45Å; S2292-L2296 PolarHBondContact O-N 3.18Å; S2292-N2358 PolarHBondContact O-ND2 3.08Å; S2292-N2358 VanDerWaalsContact O-ND2 3.11Å |
| 2293 | I | 88.8 | Confident | 86.7 | Confident | 7.5 Ų | 7.5 | 41.6 Ų | 41.6 | 4% | 0.038 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 174.2 | -68.3 | 167.3 | 0 | 0 | 0 | 110.5 | L2289 E2290 E2291 K2295 L2296 Q2297 I2381 V2384 | L2289-I2293 HydrophobicContact CD1-CD1 3.99Å; L2289-I2293 HydrophobicContact CD1-CG1 4.42Å; L2289-I2293 HydrophobicContact CG-CD1 4.11Å; L2289-I2293 VanDerWaalsContact O-CG1 3.25Å; L2289-I2293 WeakPolarHBondContact O-CG1 3.48Å; L2289-I2293 PolarHBondContact O-N 3.44Å; E2290-I2293 PolarHBondContact O-N 2.98Å; E2291-I2293 VanDerWaalsContact C-N 3.33Å; E2291-I2293 PolarHBondContact O-N 3.19Å; I2293-K2295 VanDerWaalsContact C-N 3.32Å; I2293-K2295 PolarHBondContact O-N 3.22Å; I2293-L2296 WeakPolarHBondContact O-CB 3.42Å; I2293-L2296 PolarHBondContact O-N 3.36Å; I2293-Q2297 PolarHBondContact O-N 3.12Å; I2293-Q2297 VanDerWaalsContact O-N 3.12Å; I2293-I2381 HydrophobicContact CD1-CB 4.07Å; I2293-I2381 HydrophobicContact CD1-CD1 4.36Å; I2293-I2381 HydrophobicContact CD1-CG1 4.36Å; I2293-I2381 HydrophobicContact CG1-CB 4.46Å; I2293-I2381 HydrophobicContact CG1-CD1 4.01Å; I2293-I2381 HydrophobicContact CG1-CG1 4.25Å; I2293-V2384 HydrophobicContact CG2-CB 4.47Å; I2293-V2384 HydrophobicContact CG2-CG2 3.77Å |
| 2294 | A | 87.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E2290 E2291 L2296 Q2297 L2298 | E2290-A2294 PolarHBondContact O-N 3.13Å; E2291-A2294 WeakPolarHBondContact O-CB 3.32Å; E2291-A2294 PolarHBondContact O-N 3.12Å; A2294-L2296 VanDerWaalsContact C-N 3.35Å; A2294-L2296 PolarHBondContact O-N 2.89Å; A2294-Q2297 WeakPolarHBondContact O-CB 3.38Å; A2294-Q2297 PolarHBondContact O-N 3.12Å; A2294-L2298 PolarHBondContact O-N 2.93Å |
| 2295 | K | 86.7 | Confident | 86.1 | Confident | 43.5 Ų | 43.5 | 49.5 Ų | 49.5 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.8 | -175 | 174.3 | -180 | 176 | 0 | 112.1 | E2291 S2292 I2293 L2298 L2299 E2354 N2358 | E2291-K2295 WeakPolarHBondContact O-CB 3.22Å; E2291-K2295 PolarHBondContact O-N 3.24Å; S2292-K2295 PolarHBondContact O-N 3.17Å; I2293-K2295 VanDerWaalsContact C-N 3.32Å; I2293-K2295 PolarHBondContact O-N 3.22Å; K2295-L2298 PolarHBondContact O-N 3.33Å; K2295-L2299 HydrophobicContact CG-CD1 4.12Å; K2295-L2299 HydrophobicContact CG-CG 4.48Å; K2295-L2299 WeakPolarHBondContact O-CB 3.39Å; K2295-L2299 WeakPolarHBondContact O-CG 3.31Å; K2295-L2299 PolarHBondContact O-N 2.94Å; K2295-E2354 WeakPolarHBondContact CE-OE1 3.41Å; K2295-E2354 IonicContact NZ-OE1 3.62Å; K2295-E2354 PolarHBondContact NZ-OE1 3.15Å; K2295-E2354 VanDerWaalsContact NZ-OE1 3.14Å; K2295-N2358 WeakPolarHBondContact CB-ND2 3.48Å; K2295-N2358 WeakPolarHBondContact CD-ND2 3.07Å; K2295-N2358 WeakPolarHBondContact CG-ND2 3.43Å |
| 2296 | L | 88.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 173.4 | -72.7 | -179 | 0 | 0 | 0 | 112.4 | S2292 I2293 A2294 L2298 L2299 R2300 M2355 N2358 I2359 L2362 I2381 V2384 I2388 | S2292-L2296 WeakPolarHBondContact O-CG 3.45Å; S2292-L2296 PolarHBondContact O-N 3.18Å; I2293-L2296 WeakPolarHBondContact O-CB 3.42Å; I2293-L2296 PolarHBondContact O-N 3.36Å; A2294-L2296 VanDerWaalsContact C-N 3.35Å; A2294-L2296 PolarHBondContact O-N 2.89Å; L2296-L2298 VanDerWaalsContact C-N 3.35Å; L2296-L2299 PolarHBondContact O-N 2.95Å; L2296-R2300 WeakPolarHBondContact O-CB 3.39Å; L2296-R2300 PolarHBondContact O-N 3.2Å; L2296-M2355 HydrophobicContact CB-CE 4.25Å; L2296-M2355 HydrophobicContact CB-SD 4.49Å; L2296-M2355 HydrophobicContact CD2-CE 4.06Å; L2296-M2355 HydrophobicContact CD2-CG 4.44Å; L2296-M2355 HydrophobicContact CD2-SD 3.42Å; L2296-M2355 WeakPolarHBondContact CD2-SD 3.3Å; L2296-N2358 HydrophobicContact CD2-CB 4.02Å; L2296-I2359 HydrophobicContact CD1-CG1 4.43Å; L2296-I2359 HydrophobicContact CD2-CD1 4.47Å; L2296-I2359 HydrophobicContact CD2-CG1 3.71Å; L2296-L2362 HydrophobicContact CD1-CD1 3.48Å; L2296-L2362 VanDerWaalsContact CD1-CD1 3.48Å; L2296-L2362 HydrophobicContact CG-CD1 4.2Å; L2296-I2381 HydrophobicContact CD1-CD1 4.04Å; L2296-V2384 HydrophobicContact CB-CG1 4Å; L2296-V2384 HydrophobicContact CD1-CG1 4.48Å; L2296-I2388 HydrophobicContact CB-CD1 4.19Å; L2296-I2388 HydrophobicContact CD1-CD1 4.44Å |
| 2297 | Q | 89 | Confident | 85.2 | Confident | 100.5 Ų | 100.5 | 43.9 Ų | 43.9 | 47% | 0.47 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.8 | -67.3 | 178.8 | -7.4 | 0 | 0 | 111.6 | I2293 A2294 R2300 A2301 V2384 | I2293-Q2297 PolarHBondContact O-N 3.12Å; I2293-Q2297 VanDerWaalsContact O-N 3.12Å; A2294-Q2297 WeakPolarHBondContact O-CB 3.38Å; A2294-Q2297 PolarHBondContact O-N 3.12Å; Q2297-R2300 WeakPolarHBondContact O-CB 3.31Å; Q2297-R2300 PolarHBondContact O-N 3.38Å; Q2297-A2301 PolarHBondContact O-N 2.95Å; Q2297-A2301 VanDerWaalsContact O-N 3.09Å; Q2297-V2384 HydrophobicContact CG-CB 4.46Å; Q2297-V2384 HydrophobicContact CG-CG1 3.94Å; Q2297-V2384 HydrophobicContact CG-CG2 3.71Å |
| 2298 | L | 88.4 | Confident | 84.3 | Confident | 94.5 Ų | 94.5 | 46 Ų | 46 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -45 | 176.1 | -178.4 | 66.8 | 0 | 0 | 0 | 112 | A2294 K2295 L2296 R2300 A2301 K2302 | A2294-L2298 PolarHBondContact O-N 2.93Å; K2295-L2298 PolarHBondContact O-N 3.33Å; L2296-L2298 VanDerWaalsContact C-N 3.35Å; L2298-R2300 VanDerWaalsContact C-N 3.34Å; L2298-R2300 PolarHBondContact O-N 3.32Å; L2298-A2301 PolarHBondContact O-N 3.32Å; L2298-K2302 HydrophobicContact CG-CD 4.48Å; L2298-K2302 WeakPolarHBondContact O-CG 3.4Å; L2298-K2302 PolarHBondContact O-N 2.91Å |
| 2299 | L | 87.1 | Confident | 82.9 | Confident | 2.5 Ų | 2.5 | 50.8 Ų | 50.8 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -41 | 177.9 | -75.5 | 169.2 | 0 | 0 | 0 | 111.5 | K2295 L2296 A2301 K2302 M2303 L2351 E2354 M2355 | K2295-L2299 HydrophobicContact CG-CD1 4.12Å; K2295-L2299 HydrophobicContact CG-CG 4.48Å; K2295-L2299 WeakPolarHBondContact O-CB 3.39Å; K2295-L2299 WeakPolarHBondContact O-CG 3.31Å; K2295-L2299 PolarHBondContact O-N 2.94Å; L2296-L2299 PolarHBondContact O-N 2.95Å; L2299-A2301 PolarHBondContact O-N 3.41Å; L2299-K2302 PolarHBondContact O-N 3.19Å; L2299-M2303 WeakPolarHBondContact O-CB 3.25Å; L2299-M2303 WeakPolarHBondContact O-CG 3.33Å; L2299-M2303 PolarHBondContact O-N 3.24Å; L2299-L2351 HydrophobicContact CD2-CD2 4.2Å; L2299-E2354 HydrophobicContact CD1-CB 4.5Å; L2299-E2354 HydrophobicContact CD1-CG 4.17Å; L2299-E2354 HydrophobicContact CD2-CB 4.26Å; L2299-E2354 HydrophobicContact CD2-CG 4.19Å; L2299-M2355 HydrophobicContact CB-CE 4.26Å; L2299-M2355 HydrophobicContact CB-SD 3.56Å; L2299-M2355 WeakPolarHBondContact CB-SD 3.32Å; L2299-M2355 HydrophobicContact CD1-CB 4.4Å; L2299-M2355 HydrophobicContact CD1-SD 3.97Å; L2299-M2355 HydrophobicContact CG-SD 4.42Å |
| 2300 | R | 86.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.6 | -52 | 171.4 | 177.8 | -170.5 | 167.5 | -128.1 | -10.6 | 111.1 | L2296 Q2297 L2298 K2302 M2303 E2304 M2355 C2387 I2388 L2391 | L2296-R2300 WeakPolarHBondContact O-CB 3.39Å; L2296-R2300 PolarHBondContact O-N 3.2Å; Q2297-R2300 WeakPolarHBondContact O-CB 3.31Å; Q2297-R2300 PolarHBondContact O-N 3.38Å; L2298-R2300 VanDerWaalsContact C-N 3.34Å; L2298-R2300 PolarHBondContact O-N 3.32Å; R2300-K2302 VanDerWaalsContact C-N 3.32Å; R2300-K2302 PolarHBondContact O-N 3.29Å; R2300-M2303 PolarHBondContact O-N 3.31Å; R2300-E2304 HydrophobicContact CG-CG 4.5Å; R2300-E2304 IonicContact CZ-OE1 3.15Å; R2300-E2304 IonicContact CZ-OE2 3.77Å; R2300-E2304 IonicContact NE-OE1 3.31Å; R2300-E2304 PolarHBondContact NE-OE1 3.19Å; R2300-E2304 IonicContact NE-OE2 3.02Å; R2300-E2304 IonicContact NH2-OE1 3.46Å; R2300-E2304 PolarHBondContact NH2-OE1 3.22Å; R2300-E2304 IonicContact NH2-OE2 2.92Å; R2300-E2304 PolarHBondContact NH2-OE2 2.81Å; R2300-E2304 WeakPolarHBondContact O-CG 3.46Å; R2300-E2304 PolarHBondContact O-N 3.14Å; R2300-M2355 HydrophobicContact CB-CE 4.16Å; R2300-C2387 PolarHBondContact NE-O 3.21Å; R2300-C2387 VanDerWaalsContact NE-O 3.13Å; R2300-I2388 HydrophobicContact CB-CG1 4.3Å; R2300-I2388 HydrophobicContact CG-CG1 4.44Å; R2300-L2391 HydrophobicContact CB-CD1 4.35Å; R2300-L2391 HydrophobicContact CG-CD1 3.73Å |
| 2301 | A | 85.2 | Confident | 79.2 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q2297 L2298 L2299 E2304 L2305 | Q2297-A2301 PolarHBondContact O-N 2.95Å; Q2297-A2301 VanDerWaalsContact O-N 3.09Å; L2298-A2301 PolarHBondContact O-N 3.32Å; L2299-A2301 PolarHBondContact O-N 3.41Å; A2301-E2304 PolarHBondContact O-N 3.42Å; A2301-L2305 WeakPolarHBondContact O-CB 3.36Å; A2301-L2305 PolarHBondContact O-N 3.25Å |
| 2302 | K | 84.8 | Confident | 77.1 | Confident | 85 Ų | 85 | 58.4 Ų | 58.4 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.8 | -72.9 | 179.2 | 177.5 | -179 | 0 | 112.2 | L2298 L2299 R2300 L2305 C2306 L2351 | L2298-K2302 HydrophobicContact CG-CD 4.48Å; L2298-K2302 WeakPolarHBondContact O-CG 3.4Å; L2298-K2302 PolarHBondContact O-N 2.91Å; L2299-K2302 PolarHBondContact O-N 3.19Å; R2300-K2302 VanDerWaalsContact C-N 3.32Å; R2300-K2302 PolarHBondContact O-N 3.29Å; K2302-L2305 WeakPolarHBondContact O-CB 3.42Å; K2302-L2305 PolarHBondContact O-N 3.06Å; K2302-C2306 PolarHBondContact O-N 3.29Å; K2302-L2351 HydrophobicContact CB-CD1 4.14Å; K2302-L2351 HydrophobicContact CB-CD2 4.13Å; K2302-L2351 HydrophobicContact CD-CD2 4.13Å |
| 2303 | M | 82.7 | Confident | 74.8 | Confident | 0.5 Ų | 0.5 | 63.2 Ų | 63.2 | 0% | 0.002 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 177.5 | -73.4 | -173.5 | 67.7 | 0 | 0 | 112 | L2299 R2300 L2305 C2306 C2307 W2348 L2351 M2355 L2391 I2398 | L2299-M2303 WeakPolarHBondContact O-CB 3.25Å; L2299-M2303 WeakPolarHBondContact O-CG 3.33Å; L2299-M2303 PolarHBondContact O-N 3.24Å; R2300-M2303 PolarHBondContact O-N 3.31Å; M2303-L2305 VanDerWaalsContact C-N 3.32Å; M2303-L2305 PolarHBondContact O-N 3.28Å; M2303-C2306 WeakPolarHBondContact O-CA 3.44Å; M2303-C2306 VanDerWaalsContact O-CB 3.22Å; M2303-C2306 WeakPolarHBondContact O-CB 3.42Å; M2303-C2306 PolarHBondContact O-N 3.33Å; M2303-C2306 VanDerWaalsContact O-N 3.1Å; M2303-C2307 PolarHBondContact O-N 3.26Å; M2303-C2307 VanDerWaalsContact O-N 3.07Å; M2303-W2348 HydrophobicContact CB-CE3 4.42Å; M2303-W2348 HydrophobicContact CB-CH2 4.46Å; M2303-W2348 HydrophobicContact CB-CZ3 3.97Å; M2303-W2348 HydrophobicContact CE-CD2 3.84Å; M2303-W2348 HydrophobicContact CE-CE3 3.8Å; M2303-W2348 HydrophobicContact CE-CH2 3.35Å; M2303-W2348 HydrophobicContact CE-CZ2 3.32Å; M2303-W2348 HydrophobicContact CE-CZ3 3.55Å; M2303-W2348 VanDerWaalsContact CE-CZ3 3.49Å; M2303-W2348 HydrophobicContact CG-CZ3 4.46Å; M2303-W2348 WeakPolarHBondContact O-CZ3 3.47Å; M2303-L2351 HydrophobicContact CG-CB 3.74Å; M2303-L2351 HydrophobicContact CG-CD1 4.11Å; M2303-L2351 HydrophobicContact SD-CB 4.36Å; M2303-M2355 HydrophobicContact SD-CB 4.43Å; M2303-L2391 HydrophobicContact CB-CD1 4.21Å; M2303-L2391 HydrophobicContact CB-CD2 4.48Å; M2303-I2398 HydrophobicContact CE-CD1 3.7Å; M2303-I2398 HydrophobicContact SD-CD1 4.22Å |
| 2304 | E | 82.6 | Confident | 72.6 | Confident | 69.5 Ų | 69.5 | 66.1 Ų | 66.1 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 174.7 | -73.8 | 176.8 | 173.4 | 0 | 0 | 111.5 | R2300 A2301 C2306 C2307 T2308 L2391 | R2300-E2304 HydrophobicContact CG-CG 4.5Å; R2300-E2304 IonicContact CZ-OE1 3.15Å; R2300-E2304 IonicContact CZ-OE2 3.77Å; R2300-E2304 IonicContact NE-OE1 3.31Å; R2300-E2304 PolarHBondContact NE-OE1 3.19Å; R2300-E2304 IonicContact NE-OE2 3.02Å; R2300-E2304 IonicContact NH2-OE1 3.46Å; R2300-E2304 PolarHBondContact NH2-OE1 3.22Å; R2300-E2304 IonicContact NH2-OE2 2.92Å; R2300-E2304 PolarHBondContact NH2-OE2 2.81Å; R2300-E2304 WeakPolarHBondContact O-CG 3.46Å; R2300-E2304 PolarHBondContact O-N 3.14Å; A2301-E2304 PolarHBondContact O-N 3.42Å; E2304-C2306 VanDerWaalsContact C-N 3.33Å; E2304-C2306 PolarHBondContact O-N 3.05Å; E2304-C2307 WeakPolarHBondContact O-CB 3.33Å; E2304-C2307 PolarHBondContact O-N 3.2Å; E2304-C2307 VanDerWaalsContact O-N 3.1Å; E2304-T2308 WeakPolarHBondContact O-CG2 3.38Å; E2304-T2308 PolarHBondContact O-N 3.38Å; E2304-L2391 HydrophobicContact CG-CD1 4.28Å; E2304-L2391 HydrophobicContact CG-CD2 4.19Å |
| 2305 | L | 80.1 | Confident | 70.3 | Confident | 105.5 Ų | 105.5 | 70.4 Ų | 70.4 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59 | -41.5 | 171.8 | -97.8 | 158.6 | 0 | 0 | 0 | 112.6 | A2301 K2302 M2303 C2307 T2308 N2309 | A2301-L2305 WeakPolarHBondContact O-CB 3.36Å; A2301-L2305 PolarHBondContact O-N 3.25Å; K2302-L2305 WeakPolarHBondContact O-CB 3.42Å; K2302-L2305 PolarHBondContact O-N 3.06Å; M2303-L2305 VanDerWaalsContact C-N 3.32Å; M2303-L2305 PolarHBondContact O-N 3.28Å; L2305-C2307 VanDerWaalsContact C-N 3.29Å; L2305-C2307 PolarHBondContact O-N 3.22Å; L2305-T2308 WeakPolarHBondContact CA-OG1 3.26Å; L2305-T2308 PolarHBondContact O-N 3.18Å; L2305-T2308 PolarHBondContact O-OG1 3.23Å; L2305-N2309 PolarHBondContact O-N 3.38Å; L2305-N2309 PolarHBondContact O-ND2 3.17Å |
| 2306 | C | 77.4 | Confident | 68.2 | Low | 19 Ų | 19 | 72 Ų | 72 | 13% | 0.128 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 173.7 | -97.5 | 0 | 0 | 0 | 0 | 112.2 | K2302 M2303 E2304 W2348 | K2302-C2306 PolarHBondContact O-N 3.29Å; M2303-C2306 WeakPolarHBondContact O-CA 3.44Å; M2303-C2306 VanDerWaalsContact O-CB 3.22Å; M2303-C2306 WeakPolarHBondContact O-CB 3.42Å; M2303-C2306 PolarHBondContact O-N 3.33Å; M2303-C2306 VanDerWaalsContact O-N 3.1Å; E2304-C2306 VanDerWaalsContact C-N 3.33Å; E2304-C2306 PolarHBondContact O-N 3.05Å; C2306-W2348 HydrophobicContact CB-CE3 4.33Å |
| 2307 | C | 70.7 | Confident | 65.9 | Low | 42.5 Ų | 42.5 | 77.4 Ų | 77.4 | 29% | 0.287 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | M2303 E2304 L2305 N2309 V2310 W2348 | M2303-C2307 PolarHBondContact O-N 3.26Å; M2303-C2307 VanDerWaalsContact O-N 3.07Å; E2304-C2307 WeakPolarHBondContact O-CB 3.33Å; E2304-C2307 PolarHBondContact O-N 3.2Å; E2304-C2307 VanDerWaalsContact O-N 3.1Å; L2305-C2307 VanDerWaalsContact C-N 3.29Å; L2305-C2307 PolarHBondContact O-N 3.22Å; C2307-N2309 VanDerWaalsContact C-N 3.34Å; C2307-N2309 PolarHBondContact O-N 3.05Å; C2307-V2310 WeakPolarHBondContact O-CB 3.45Å; C2307-V2310 PolarHBondContact O-N 3.21Å; C2307-W2348 WeakPolarHBondContact SG-CZ3 3.32Å |
| 2308 | T | 64.2 | Low | 63.6 | Low | 70 Ų | 70 | 83.9 Ų | 83.9 | 43% | 0.429 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -34.3 | -177.1 | 54.9 | 0 | 0 | 0 | 0 | 113 | E2304 L2305 V2310 H2311 V2312 | E2304-T2308 WeakPolarHBondContact O-CG2 3.38Å; E2304-T2308 PolarHBondContact O-N 3.38Å; L2305-T2308 WeakPolarHBondContact CA-OG1 3.26Å; L2305-T2308 PolarHBondContact O-N 3.18Å; L2305-T2308 PolarHBondContact O-OG1 3.23Å; T2308-V2310 PolarHBondContact O-N 3.39Å; T2308-V2310 VanDerWaalsContact O-N 3.12Å; T2308-H2311 PolarHBondContact O-N 2.93Å; T2308-V2312 WeakPolarHBondContact O-CG2 3.37Å; T2308-V2312 PolarHBondContact O-N 3.33Å |
| 2309 | N | 58.7 | Low | 61.1 | Low | 100.5 Ų | 100.5 | 83.9 Ų | 83.9 | 54% | 0.537 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -17.2 | 177.3 | -74.3 | -13.7 | 0 | 0 | 0 | 113.6 | L2305 C2307 | L2305-N2309 PolarHBondContact O-N 3.38Å; L2305-N2309 PolarHBondContact O-ND2 3.17Å; C2307-N2309 VanDerWaalsContact C-N 3.34Å; C2307-N2309 PolarHBondContact O-N 3.05Å |
| 2310 | V | 54 | Low | 58.6 | Low | 90.5 Ų | 90.5 | 90.4 Ų | 90.4 | 55% | 0.548 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -80.8 | -32.7 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | C2307 T2308 T2344 | C2307-V2310 WeakPolarHBondContact O-CB 3.45Å; C2307-V2310 PolarHBondContact O-N 3.21Å; T2308-V2310 PolarHBondContact O-N 3.39Å; T2308-V2310 VanDerWaalsContact O-N 3.12Å; V2310-T2344 HydrophobicContact CG2-CG2 3.91Å |
| 2311 | H | 44 | Very low | 55.9 | Low | 138 Ų | 138 | 93.1 Ų | 93.1 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -90.6 | -35.9 | -172.7 | -101.6 | -61.7 | 0 | 0 | 0 | 114.4 | T2308 N2313 S2314 | T2308-H2311 PolarHBondContact O-N 2.93Å; H2311-N2313 PolarHBondContact O-N 2.86Å; H2311-N2313 VanDerWaalsContact O-N 3.15Å; H2311-S2314 PolarHBondContact O-N 3.33Å; H2311-S2314 PolarHBondContact O-OG 2.99Å |
| 2312 | V | 44.3 | Very low | 53.3 | Low | 99 Ų | 99 | 96.5 Ų | 96.5 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -25.6 | -175.4 | 176.7 | 0 | 0 | 0 | 0 | 112.8 | T2308 | T2308-V2312 WeakPolarHBondContact O-CG2 3.37Å; T2308-V2312 PolarHBondContact O-N 3.33Å |
| 2313 | N | 39.9 | Very low | 50.8 | Low | 101.5 Ų | 101.5 | 99.5 Ų | 99.5 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -92 | 1.1 | -178.7 | -63.8 | -28.5 | 0 | 0 | 0 | 114.2 | H2311 | H2311-N2313 PolarHBondContact O-N 2.86Å; H2311-N2313 VanDerWaalsContact O-N 3.15Å |
| 2314 | S | 42.2 | Very low | 48.4 | Very low | 69 Ų | 69 | 105.2 Ų | 105.2 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -92.5 | -21.1 | 176 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | H2311 | H2311-S2314 PolarHBondContact O-N 3.33Å; H2311-S2314 PolarHBondContact O-OG 2.99Å |
| 2315 | E | 39.9 | Very low | 46 | Very low | 141.5 Ų | 141.5 | 111.4 Ų | 111.4 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -92.4 | -19.9 | -178.7 | -71.6 | -175.6 | 157 | 0 | 0 | 113.3 | D2317 R2318 | E2315-D2317 VanDerWaalsContact C-N 3.31Å; E2315-D2317 PolarHBondContact O-N 3.29Å; E2315-R2318 PolarHBondContact O-N 3.36Å |
| 2316 | S | 41.2 | Very low | 43.7 | Very low | 76.5 Ų | 76.5 | 115.1 Ų | 115.1 | 54% | 0.535 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -8.4 | 179.2 | 62.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2317 | D | 40.6 | Very low | 41.5 | Very low | 113.5 Ų | 113.5 | 119.6 Ų | 119.6 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 4.1 | -179.2 | -78.6 | -11.9 | 0 | 0 | 0 | 113.5 | E2315 K2337 | E2315-D2317 VanDerWaalsContact C-N 3.31Å; E2315-D2317 PolarHBondContact O-N 3.29Å; D2317-K2337 IonicContact OD2-NZ 2.96Å |
| 2318 | R | 41.8 | Very low | 39.7 | Very low | 237 Ų | 237 | 126.1 Ų | 126.1 | 89% | 0.894 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -102.4 | 5.5 | -178.4 | -85.9 | -171.8 | 175.2 | 177.2 | -0.1 | 115.8 | E2315 | E2315-R2318 PolarHBondContact O-N 3.36Š|
| 2319 | S | 34.4 | Very low | 38.3 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -128.9 | 56.4 | -178.7 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 2320 | T | 35.1 | Very low | 37.3 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | trans | -149.9 | 87.4 | 156.5 | 51.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2321 | S | 29.5 | Very low | 36.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -102.8 | 106.3 | 156.9 | 59.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 2322 | C | 31.1 | Very low | 36.6 | Very low | 116.5 Ų | 116.5 | 131 Ų | 131 | 79% | 0.787 | 73% | 0.725 | S | S | * | * | trans | 176.2 | 116.2 | 146.5 | -90.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2323 | D | 32 | Very low | 36.7 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 116.2 | 148.2 | -58.2 | -27.9 | 0 | 0 | 0 | 122.5 | ||||
| 2324 | S | 32.1 | Very low | 37.3 | Very low | 119.5 Ų | 119.5 | 130.2 Ų | 130.2 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | 115.1 | 125.1 | 130.4 | 74.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2325 | K | 32.7 | Very low | 37.6 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | trans | -21.9 | 117.3 | 164.4 | -63.3 | 169 | 177 | 173.4 | 0 | 114.5 | ||||
| 2326 | Q | 31.6 | Very low | 38 | Very low | 184.5 Ų | 184.5 | 130.3 Ų | 130.3 | 86% | 0.862 | 72% | 0.718 | S | S | * | * | 157.9 | 127.9 | 127.2 | -91.9 | 172.7 | -6.8 | 0 | 0 | 111.6 | |||||
| 2327 | S | 30.6 | Very low | 38.4 | Very low | 112.5 Ų | 112.5 | 132.2 Ų | 132.2 | 79% | 0.787 | 72% | 0.717 | S | S | * | * | trans | 127.8 | 132.1 | 133.7 | 65.7 | 0 | 0 | 0 | 0 | 116.1 | S2329 | S2327-S2329 PolarHBondContact O-N 3.37Š| ||
| 2328 | L | 33.2 | Very low | 39.1 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 94% | 0.942 | 70% | 0.703 | S | S | * | * | trans | -69.6 | 104.9 | 176.3 | -72.4 | 85.2 | 0 | 0 | 0 | 110.2 | ||||
| 2329 | S | 34.6 | Very low | 39.7 | Very low | 89.5 Ų | 89.5 | 123.9 Ų | 123.9 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | trans | -156.8 | 50.9 | 161.6 | 133.3 | 0 | 0 | 0 | 0 | 112.5 | S2327 R2331 | S2327-S2329 PolarHBondContact O-N 3.37Å; S2329-R2331 VanDerWaalsContact C-N 3.3Å; S2329-R2331 PolarHBondContact O-N 3.07Å | ||
| 2330 | S | 38.8 | Very low | 40.8 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 1 | -177.5 | 59.2 | 0 | 0 | 0 | 0 | 115.4 | S2333 | S2330-S2333 PolarHBondContact O-OG 2.87Š|
| 2331 | R | 41.2 | Very low | 41.9 | Very low | 221 Ų | 221 | 128.1 Ų | 128.1 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -26.4 | 177.9 | -84.5 | -175.7 | 174 | -174.4 | -2.4 | 115 | S2329 | S2329-R2331 VanDerWaalsContact C-N 3.3Å; S2329-R2331 PolarHBondContact O-N 3.07Å |
| 2332 | V | 42.2 | Very low | 43.8 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 58% | 0.582 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.6 | -24.4 | -176.9 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 2333 | S | 47.1 | Very low | 45.7 | Very low | 68 Ų | 68 | 128.9 Ų | 128.9 | 48% | 0.476 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -78.8 | -20.7 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 114.5 | S2330 K2337 | S2330-S2333 PolarHBondContact O-OG 2.87Å; S2333-K2337 PolarHBondContact O-N 3.31Å |
| 2334 | I | 50.6 | Low | 47.6 | Very low | 116.5 Ų | 116.5 | 123.7 Ų | 123.7 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.5 | -42.5 | 179.8 | -62.8 | 173 | 0 | 0 | 0 | 110.3 | K2337 A2338 | I2334-K2337 PolarHBondContact O-N 3.25Å; I2334-A2338 PolarHBondContact O-N 3.41Å |
| 2335 | D | 49.2 | Very low | 49.6 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.4 | -41.1 | 178.9 | -75.6 | -21.6 | 0 | 0 | 0 | 112 | K2337 A2338 E2339 | D2335-K2337 VanDerWaalsContact C-N 3.31Å; D2335-K2337 PolarHBondContact O-N 3.13Å; D2335-A2338 PolarHBondContact O-N 3.03Å; D2335-E2339 WeakPolarHBondContact O-CB 3.45Å; D2335-E2339 PolarHBondContact O-N 3.26Å |
| 2336 | Q | 49 | Very low | 51.5 | Low | 96 Ų | 96 | 113.9 Ų | 113.9 | 45% | 0.449 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.3 | -33.6 | 175.8 | -71.8 | -173.9 | 3.2 | 0 | 0 | 113.3 | R2340 | Q2336-R2340 WeakPolarHBondContact O-CB 3.34Å; Q2336-R2340 VanDerWaalsContact O-CG 3.31Å; Q2336-R2340 WeakPolarHBondContact O-CG 3.25Å; Q2336-R2340 PolarHBondContact O-N 3.29Å; Q2336-R2340 VanDerWaalsContact O-N 3.08Å |
| 2337 | K | 49.9 | Very low | 53.7 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.2 | -36.6 | 175.4 | -102.2 | 178.3 | 179.7 | 172.6 | 0 | 111.4 | D2317 S2333 I2334 D2335 R2341 | D2317-K2337 IonicContact OD2-NZ 2.96Å; S2333-K2337 PolarHBondContact O-N 3.31Å; I2334-K2337 PolarHBondContact O-N 3.25Å; D2335-K2337 VanDerWaalsContact C-N 3.31Å; D2335-K2337 PolarHBondContact O-N 3.13Å; K2337-R2341 WeakPolarHBondContact O-CG 3.42Å; K2337-R2341 PolarHBondContact O-N 3.18Å |
| 2338 | A | 54.1 | Low | 56.2 | Low | 38.5 Ų | 38.5 | 103.3 Ų | 103.3 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2334 D2335 R2341 H2342 | I2334-A2338 PolarHBondContact O-N 3.41Å; D2335-A2338 PolarHBondContact O-N 3.03Å; A2338-R2341 PolarHBondContact O-N 3.34Å; A2338-H2342 PolarHBondContact O-CD2 3.37Å; A2338-H2342 VanDerWaalsContact O-CD2 3.24Å; A2338-H2342 PolarHBondContact O-N 3.31Å |
| 2339 | E | 55.5 | Low | 58.5 | Low | 136.5 Ų | 136.5 | 97.5 Ų | 97.5 | 64% | 0.638 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 179.3 | -165.4 | 168.8 | -159.2 | 0 | 0 | 112.1 | D2335 R2341 H2342 Q2343 | D2335-E2339 WeakPolarHBondContact O-CB 3.45Å; D2335-E2339 PolarHBondContact O-N 3.26Å; E2339-R2341 PolarHBondContact O-N 3.05Å; E2339-H2342 WeakPolarHBondContact O-CB 3.3Å; E2339-H2342 PolarHBondContact O-N 2.92Å; E2339-Q2343 PolarHBondContact O-N 3.46Å |
| 2340 | R | 56.4 | Low | 60.8 | Low | 148 Ų | 148 | 98.5 Ų | 98.5 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 173.9 | -73.6 | -178.9 | -157.6 | 168.1 | 8.7 | 112.5 | Q2336 H2342 Q2343 T2344 | Q2336-R2340 WeakPolarHBondContact O-CB 3.34Å; Q2336-R2340 VanDerWaalsContact O-CG 3.31Å; Q2336-R2340 WeakPolarHBondContact O-CG 3.25Å; Q2336-R2340 PolarHBondContact O-N 3.29Å; Q2336-R2340 VanDerWaalsContact O-N 3.08Å; R2340-H2342 VanDerWaalsContact C-N 3.34Å; R2340-H2342 PolarHBondContact O-N 2.91Å; R2340-Q2343 PolarHBondContact O-N 3.23Å; R2340-T2344 PolarHBondContact O-N 3.3Å; R2340-T2344 PolarHBondContact O-OG1 3.16Å |
| 2341 | R | 59.2 | Low | 63 | Low | 174.5 Ų | 174.5 | 95.2 Ų | 95.2 | 66% | 0.658 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 174.5 | -77.9 | -178.7 | -172.4 | 142 | -1 | 111.6 | K2337 A2338 E2339 Q2343 T2344 V2345 | K2337-R2341 WeakPolarHBondContact O-CG 3.42Å; K2337-R2341 PolarHBondContact O-N 3.18Å; A2338-R2341 PolarHBondContact O-N 3.34Å; E2339-R2341 PolarHBondContact O-N 3.05Å; R2341-Q2343 VanDerWaalsContact C-N 3.29Å; R2341-Q2343 PolarHBondContact O-N 3.38Å; R2341-T2344 PolarHBondContact O-N 3.15Å; R2341-V2345 VanDerWaalsContact O-CG2 3.3Å; R2341-V2345 WeakPolarHBondContact O-CG2 3.33Å; R2341-V2345 PolarHBondContact O-N 2.72Å |
| 2342 | H | 69.1 | Low | 65 | Low | 125 Ų | 125 | 84.6 Ų | 84.6 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.9 | -39.5 | 174.9 | -78.1 | -57.4 | 0 | 0 | 0 | 112.1 | A2338 E2339 R2340 V2345 S2346 | A2338-H2342 PolarHBondContact O-CD2 3.37Å; A2338-H2342 VanDerWaalsContact O-CD2 3.24Å; A2338-H2342 PolarHBondContact O-N 3.31Å; E2339-H2342 WeakPolarHBondContact O-CB 3.3Å; E2339-H2342 PolarHBondContact O-N 2.92Å; R2340-H2342 VanDerWaalsContact C-N 3.34Å; R2340-H2342 PolarHBondContact O-N 2.91Å; H2342-V2345 PolarHBondContact O-N 3.16Å; H2342-S2346 WeakPolarHBondContact O-CB 3.37Å; H2342-S2346 PolarHBondContact O-N 3.03Å |
| 2343 | Q | 71.5 | Confident | 67 | Low | 124.5 Ų | 124.5 | 84 Ų | 84 | 58% | 0.582 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 176.8 | -161.6 | 171.9 | 12.1 | 0 | 0 | 112.2 | E2339 R2340 R2341 S2346 T2347 | E2339-Q2343 PolarHBondContact O-N 3.46Å; R2340-Q2343 PolarHBondContact O-N 3.23Å; R2341-Q2343 VanDerWaalsContact C-N 3.29Å; R2341-Q2343 PolarHBondContact O-N 3.38Å; Q2343-S2346 PolarHBondContact O-N 3.12Å; Q2343-S2346 PolarHBondContact O-OG 3.17Å; Q2343-T2347 WeakPolarHBondContact O-CG2 3.34Å; Q2343-T2347 PolarHBondContact O-N 3.2Å; Q2343-T2347 PolarHBondContact O-OG1 3.14Å; Q2343-T2347 VanDerWaalsContact O-OG1 3.06Å |
| 2344 | T | 71.7 | Confident | 68.8 | Low | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 175 | -44.9 | 0 | 0 | 0 | 0 | 112 | V2310 R2340 R2341 T2347 W2348 | V2310-T2344 HydrophobicContact CG2-CG2 3.91Å; R2340-T2344 PolarHBondContact O-N 3.3Å; R2340-T2344 PolarHBondContact O-OG1 3.16Å; R2341-T2344 PolarHBondContact O-N 3.15Å; T2344-T2347 VanDerWaalsContact CA-OG1 3.29Å; T2344-T2347 WeakPolarHBondContact CA-OG1 3.41Å; T2344-T2347 PolarHBondContact O-N 3.04Å; T2344-T2347 PolarHBondContact O-OG1 3.07Å; T2344-W2348 WeakPolarHBondContact O-CB 3.18Å; T2344-W2348 PolarHBondContact O-N 3.14Å |
| 2345 | V | 73.4 | Confident | 70.6 | Confident | 63.5 Ų | 63.5 | 78.2 Ų | 78.2 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111 | R2341 H2342 T2347 W2348 L2349 I2463 | R2341-V2345 VanDerWaalsContact O-CG2 3.3Å; R2341-V2345 WeakPolarHBondContact O-CG2 3.33Å; R2341-V2345 PolarHBondContact O-N 2.72Å; H2342-V2345 PolarHBondContact O-N 3.16Å; V2345-T2347 VanDerWaalsContact C-N 3.34Å; V2345-T2347 PolarHBondContact O-N 2.93Å; V2345-W2348 PolarHBondContact O-N 3.14Å; V2345-L2349 HydrophobicContact CG1-CD1 4.15Å; V2345-L2349 WeakPolarHBondContact O-CB 3.48Å; V2345-L2349 WeakPolarHBondContact O-CG 3.42Å; V2345-L2349 PolarHBondContact O-N 3.03Å; V2345-I2463 HydrophobicContact CG1-CD1 3.84Å |
| 2346 | S | 73.1 | Confident | 72.5 | Confident | 48.5 Ų | 48.5 | 73.7 Ų | 73.7 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.7 | 134.5 | 0 | 0 | 0 | 0 | 112.4 | H2342 Q2343 L2349 K2350 | H2342-S2346 WeakPolarHBondContact O-CB 3.37Å; H2342-S2346 PolarHBondContact O-N 3.03Å; Q2343-S2346 PolarHBondContact O-N 3.12Å; Q2343-S2346 PolarHBondContact O-OG 3.17Å; S2346-L2349 PolarHBondContact O-N 3.44Å; S2346-K2350 VanDerWaalsContact O-CG 3.32Å; S2346-K2350 WeakPolarHBondContact O-CG 3.33Å; S2346-K2350 PolarHBondContact O-N 3.2Å |
| 2347 | T | 77.5 | Confident | 74.2 | Confident | 52.5 Ų | 52.5 | 70.6 Ų | 70.6 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 177.1 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | Q2343 T2344 V2345 L2349 K2350 L2351 | Q2343-T2347 WeakPolarHBondContact O-CG2 3.34Å; Q2343-T2347 PolarHBondContact O-N 3.2Å; Q2343-T2347 PolarHBondContact O-OG1 3.14Å; Q2343-T2347 VanDerWaalsContact O-OG1 3.06Å; T2344-T2347 VanDerWaalsContact CA-OG1 3.29Å; T2344-T2347 WeakPolarHBondContact CA-OG1 3.41Å; T2344-T2347 PolarHBondContact O-N 3.04Å; T2344-T2347 PolarHBondContact O-OG1 3.07Å; V2345-T2347 VanDerWaalsContact C-N 3.34Å; V2345-T2347 PolarHBondContact O-N 2.93Å; T2347-L2349 PolarHBondContact O-N 3.26Å; T2347-K2350 PolarHBondContact O-N 3.14Å; T2347-L2351 WeakPolarHBondContact O-CG 3.36Å; T2347-L2351 PolarHBondContact O-N 3.43Å |
| 2348 | W | 83.1 | Confident | 76 | Confident | 22.5 Ų | 22.5 | 65.4 Ų | 65.4 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -48.8 | 171.3 | -179.6 | -89.4 | 0 | 0 | 0 | 112 | M2303 C2306 C2307 T2344 V2345 K2350 L2351 S2352 L2391 D2395 | M2303-W2348 HydrophobicContact CB-CE3 4.42Å; M2303-W2348 HydrophobicContact CB-CH2 4.46Å; M2303-W2348 HydrophobicContact CB-CZ3 3.97Å; M2303-W2348 HydrophobicContact CE-CD2 3.84Å; M2303-W2348 HydrophobicContact CE-CE3 3.8Å; M2303-W2348 HydrophobicContact CE-CH2 3.35Å; M2303-W2348 HydrophobicContact CE-CZ2 3.32Å; M2303-W2348 HydrophobicContact CE-CZ3 3.55Å; M2303-W2348 VanDerWaalsContact CE-CZ3 3.49Å; M2303-W2348 HydrophobicContact CG-CZ3 4.46Å; M2303-W2348 WeakPolarHBondContact O-CZ3 3.47Å; C2306-W2348 HydrophobicContact CB-CE3 4.33Å; C2307-W2348 WeakPolarHBondContact SG-CZ3 3.32Å; T2344-W2348 WeakPolarHBondContact O-CB 3.18Å; T2344-W2348 PolarHBondContact O-N 3.14Å; V2345-W2348 PolarHBondContact O-N 3.14Å; W2348-K2350 PolarHBondContact O-N 3.09Å; W2348-L2351 PolarHBondContact O-N 3.35Å; W2348-S2352 VanDerWaalsContact O-CB 3.28Å; W2348-S2352 WeakPolarHBondContact O-CB 3.21Å; W2348-S2352 PolarHBondContact O-N 3.14Å; W2348-S2352 PolarHBondContact O-OG 3.03Å; W2348-L2391 HydrophobicContact CH2-CD2 3.85Å; W2348-L2391 HydrophobicContact CZ3-CD2 4.36Å; W2348-D2395 HydrophobicContact CZ2-CB 4.48Å |
| 2349 | L | 80.6 | Confident | 77.8 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 178.6 | -76.3 | 170.5 | 0 | 0 | 0 | 111.5 | V2345 S2346 T2347 L2351 S2352 D2353 I2463 | V2345-L2349 HydrophobicContact CG1-CD1 4.15Å; V2345-L2349 WeakPolarHBondContact O-CB 3.48Å; V2345-L2349 WeakPolarHBondContact O-CG 3.42Å; V2345-L2349 PolarHBondContact O-N 3.03Å; S2346-L2349 PolarHBondContact O-N 3.44Å; T2347-L2349 PolarHBondContact O-N 3.26Å; L2349-L2351 PolarHBondContact O-N 3.38Å; L2349-S2352 VanDerWaalsContact CA-OG 3.31Å; L2349-S2352 WeakPolarHBondContact CA-OG 3.22Å; L2349-S2352 PolarHBondContact O-N 3.23Å; L2349-S2352 PolarHBondContact O-OG 3.09Å; L2349-D2353 PolarHBondContact O-N 3.16Å; L2349-I2463 HydrophobicContact CD1-CD1 4.33Å; L2349-I2463 HydrophobicContact CD2-CD1 3.76Å; L2349-I2463 HydrophobicContact CD2-CG1 4.32Å; L2349-I2463 HydrophobicContact CG-CD1 3.93Å |
| 2350 | K | 83.2 | Confident | 79.4 | Confident | 109 Ų | 109 | 59.7 Ų | 59.7 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 177.2 | -71.8 | 174.3 | -178.3 | -177.2 | 0 | 112.3 | Q2242 S2346 T2347 W2348 D2353 E2354 | Q2242-K2350 VanDerWaalsContact OE1-NZ 3.16Å; S2346-K2350 VanDerWaalsContact O-CG 3.32Å; S2346-K2350 WeakPolarHBondContact O-CG 3.33Å; S2346-K2350 PolarHBondContact O-N 3.2Å; T2347-K2350 PolarHBondContact O-N 3.14Å; W2348-K2350 PolarHBondContact O-N 3.09Å; K2350-D2353 PolarHBondContact O-N 3.45Å; K2350-E2354 PolarHBondContact O-N 2.84Å; K2350-E2354 VanDerWaalsContact O-N 3.17Å |
| 2351 | L | 84.8 | Confident | 80.9 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 178.6 | -69.3 | 172.4 | 0 | 0 | 0 | 111.9 | L2299 K2302 M2303 T2347 W2348 L2349 E2354 M2355 | L2299-L2351 HydrophobicContact CD2-CD2 4.2Å; K2302-L2351 HydrophobicContact CB-CD1 4.14Å; K2302-L2351 HydrophobicContact CB-CD2 4.13Å; K2302-L2351 HydrophobicContact CD-CD2 4.13Å; M2303-L2351 HydrophobicContact CG-CB 3.74Å; M2303-L2351 HydrophobicContact CG-CD1 4.11Å; M2303-L2351 HydrophobicContact SD-CB 4.36Å; T2347-L2351 WeakPolarHBondContact O-CG 3.36Å; T2347-L2351 PolarHBondContact O-N 3.43Å; W2348-L2351 PolarHBondContact O-N 3.35Å; L2349-L2351 PolarHBondContact O-N 3.38Å; L2351-E2354 PolarHBondContact O-N 2.94Å; L2351-M2355 WeakPolarHBondContact O-CB 3.46Å; L2351-M2355 PolarHBondContact O-N 3.45Å |
| 2352 | S | 84.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 178.1 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | W2348 L2349 E2354 M2355 I2356 R2397 | W2348-S2352 VanDerWaalsContact O-CB 3.28Å; W2348-S2352 WeakPolarHBondContact O-CB 3.21Å; W2348-S2352 PolarHBondContact O-N 3.14Å; W2348-S2352 PolarHBondContact O-OG 3.03Å; L2349-S2352 VanDerWaalsContact CA-OG 3.31Å; L2349-S2352 WeakPolarHBondContact CA-OG 3.22Å; L2349-S2352 PolarHBondContact O-N 3.23Å; L2349-S2352 PolarHBondContact O-OG 3.09Å; S2352-E2354 VanDerWaalsContact C-N 3.35Å; S2352-M2355 PolarHBondContact O-N 2.91Å; S2352-I2356 WeakPolarHBondContact O-CB 3.34Å; S2352-I2356 WeakPolarHBondContact O-CD1 3.46Å; S2352-I2356 WeakPolarHBondContact O-CG1 3.34Å; S2352-I2356 PolarHBondContact O-N 3.06Å; S2352-R2397 PolarHBondContact OG-NH2 3.31Å |
| 2353 | D | 83.7 | Confident | 83.5 | Confident | 83.5 Ų | 83.5 | 41.2 Ų | 41.2 | 45% | 0.447 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 178 | -67.4 | -16.7 | 0 | 0 | 0 | 110.7 | L2349 K2350 I2356 A2357 R2397 | L2349-D2353 PolarHBondContact O-N 3.16Å; K2350-D2353 PolarHBondContact O-N 3.45Å; D2353-I2356 PolarHBondContact O-N 3.05Å; D2353-A2357 WeakPolarHBondContact O-CB 3.34Å; D2353-A2357 PolarHBondContact O-N 3.3Å; D2353-R2397 IonicContact OD1-CZ 2.63Å; D2353-R2397 IonicContact OD1-NH1 2.9Å; D2353-R2397 PolarHBondContact OD1-NH1 2.99Å |
| 2354 | E | 84.7 | Confident | 84.4 | Confident | 60.5 Ų | 60.5 | 36.9 Ų | 36.9 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.9 | -40.5 | 174.5 | -165 | 177.8 | 174.9 | 0 | 0 | 112 | K2295 L2299 K2350 L2351 S2352 A2357 N2358 | K2295-E2354 WeakPolarHBondContact CE-OE1 3.41Å; K2295-E2354 IonicContact NZ-OE1 3.62Å; K2295-E2354 PolarHBondContact NZ-OE1 3.15Å; K2295-E2354 VanDerWaalsContact NZ-OE1 3.14Å; L2299-E2354 HydrophobicContact CD1-CB 4.5Å; L2299-E2354 HydrophobicContact CD1-CG 4.17Å; L2299-E2354 HydrophobicContact CD2-CB 4.26Å; L2299-E2354 HydrophobicContact CD2-CG 4.19Å; K2350-E2354 PolarHBondContact O-N 2.84Å; K2350-E2354 VanDerWaalsContact O-N 3.17Å; L2351-E2354 PolarHBondContact O-N 2.94Å; S2352-E2354 VanDerWaalsContact C-N 3.35Å; E2354-A2357 PolarHBondContact O-N 2.9Å; E2354-N2358 WeakPolarHBondContact O-CB 3.48Å; E2354-N2358 PolarHBondContact O-N 3.19Å; E2354-N2358 VanDerWaalsContact O-N 3.08Å |
| 2355 | M | 88.4 | Confident | 85.3 | Confident | 1.5 Ų | 1.5 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 174.1 | -169.2 | 71 | 152.7 | 0 | 0 | 111.4 | L2296 L2299 R2300 M2303 L2351 S2352 N2358 I2359 I2388 | L2296-M2355 HydrophobicContact CB-CE 4.25Å; L2296-M2355 HydrophobicContact CB-SD 4.49Å; L2296-M2355 HydrophobicContact CD2-CE 4.06Å; L2296-M2355 HydrophobicContact CD2-CG 4.44Å; L2296-M2355 HydrophobicContact CD2-SD 3.42Å; L2296-M2355 WeakPolarHBondContact CD2-SD 3.3Å; L2299-M2355 HydrophobicContact CB-CE 4.26Å; L2299-M2355 HydrophobicContact CB-SD 3.56Å; L2299-M2355 WeakPolarHBondContact CB-SD 3.32Å; L2299-M2355 HydrophobicContact CD1-CB 4.4Å; L2299-M2355 HydrophobicContact CD1-SD 3.97Å; L2299-M2355 HydrophobicContact CG-SD 4.42Å; R2300-M2355 HydrophobicContact CB-CE 4.16Å; M2303-M2355 HydrophobicContact SD-CB 4.43Å; L2351-M2355 WeakPolarHBondContact O-CB 3.46Å; L2351-M2355 PolarHBondContact O-N 3.45Å; S2352-M2355 PolarHBondContact O-N 2.91Å; M2355-N2358 PolarHBondContact O-N 3.2Å; M2355-I2359 HydrophobicContact CE-CD1 4.45Å; M2355-I2359 HydrophobicContact CG-CD1 4.04Å; M2355-I2359 VanDerWaalsContact O-CG1 3.3Å; M2355-I2359 WeakPolarHBondContact O-CG1 3.29Å; M2355-I2359 PolarHBondContact O-N 3.08Å; M2355-I2388 HydrophobicContact CE-CB 4.33Å; M2355-I2388 HydrophobicContact CE-CD1 3.34Å; M2355-I2388 VanDerWaalsContact CE-CD1 3.48Å; M2355-I2388 HydrophobicContact CE-CG1 3.53Å; M2355-I2388 VanDerWaalsContact CE-CG1 3.45Å; M2355-I2388 HydrophobicContact CE-CG2 3.8Å; M2355-I2388 HydrophobicContact SD-CD1 4.48Å |
| 2356 | I | 88.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 31.9 Ų | 31.9 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -49.2 | 176.8 | -76.7 | 162.7 | 0 | 0 | 0 | 110.6 | S2352 D2353 N2358 I2359 E2360 R2397 I2398 T2401 | S2352-I2356 WeakPolarHBondContact O-CB 3.34Å; S2352-I2356 WeakPolarHBondContact O-CD1 3.46Å; S2352-I2356 WeakPolarHBondContact O-CG1 3.34Å; S2352-I2356 PolarHBondContact O-N 3.06Å; D2353-I2356 PolarHBondContact O-N 3.05Å; I2356-N2358 VanDerWaalsContact C-N 3.28Å; I2356-N2358 PolarHBondContact O-N 3.34Å; I2356-I2359 PolarHBondContact O-N 3.18Å; I2356-E2360 HydrophobicContact CG2-CG 4.38Å; I2356-E2360 WeakPolarHBondContact O-CB 3.31Å; I2356-E2360 VanDerWaalsContact O-CG 3.3Å; I2356-E2360 WeakPolarHBondContact O-CG 3.26Å; I2356-E2360 PolarHBondContact O-N 3.41Å; I2356-R2397 HydrophobicContact CD1-CB 3.57Å; I2356-I2398 HydrophobicContact CD1-CG1 4.27Å; I2356-I2398 HydrophobicContact CG1-CG1 4.1Å; I2356-T2401 HydrophobicContact CG2-CG2 4.1Å |
| 2357 | A | 85.4 | Confident | 86.9 | Confident | 30.5 Ų | 30.5 | 34.8 Ų | 34.8 | 25% | 0.252 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D2353 E2354 E2360 I2361 | D2353-A2357 WeakPolarHBondContact O-CB 3.34Å; D2353-A2357 PolarHBondContact O-N 3.3Å; E2354-A2357 PolarHBondContact O-N 2.9Å; A2357-E2360 PolarHBondContact O-N 3.05Å; A2357-I2361 VanDerWaalsContact O-CG1 3.3Å; A2357-I2361 WeakPolarHBondContact O-CG1 3.35Å; A2357-I2361 PolarHBondContact O-N 3.28Å |
| 2358 | N | 88.4 | Confident | 87.2 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 179.9 | -157.5 | 9.7 | 0 | 0 | 0 | 112.3 | S2292 K2295 L2296 E2354 M2355 I2356 E2360 I2361 L2362 | S2292-N2358 PolarHBondContact O-ND2 3.08Å; S2292-N2358 VanDerWaalsContact O-ND2 3.11Å; K2295-N2358 WeakPolarHBondContact CB-ND2 3.48Å; K2295-N2358 WeakPolarHBondContact CD-ND2 3.07Å; K2295-N2358 WeakPolarHBondContact CG-ND2 3.43Å; L2296-N2358 HydrophobicContact CD2-CB 4.02Å; E2354-N2358 WeakPolarHBondContact O-CB 3.48Å; E2354-N2358 PolarHBondContact O-N 3.19Å; E2354-N2358 VanDerWaalsContact O-N 3.08Å; M2355-N2358 PolarHBondContact O-N 3.2Å; I2356-N2358 VanDerWaalsContact C-N 3.28Å; I2356-N2358 PolarHBondContact O-N 3.34Å; N2358-E2360 VanDerWaalsContact C-N 3.31Å; N2358-E2360 PolarHBondContact O-N 3.4Å; N2358-I2361 PolarHBondContact O-N 3.1Å; N2358-L2362 WeakPolarHBondContact O-CG 3.34Å; N2358-L2362 PolarHBondContact O-N 2.92Å; N2358-L2362 VanDerWaalsContact O-N 3.08Å |
| 2359 | I | 90.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 173.5 | -67.9 | 171.6 | 0 | 0 | 0 | 111 | L2296 M2355 I2356 L2362 H2363 I2398 T2401 L2405 | L2296-I2359 HydrophobicContact CD1-CG1 4.43Å; L2296-I2359 HydrophobicContact CD2-CD1 4.47Å; L2296-I2359 HydrophobicContact CD2-CG1 3.71Å; M2355-I2359 HydrophobicContact CE-CD1 4.45Å; M2355-I2359 HydrophobicContact CG-CD1 4.04Å; M2355-I2359 VanDerWaalsContact O-CG1 3.3Å; M2355-I2359 WeakPolarHBondContact O-CG1 3.29Å; M2355-I2359 PolarHBondContact O-N 3.08Å; I2356-I2359 PolarHBondContact O-N 3.18Å; I2359-L2362 PolarHBondContact O-N 3.41Å; I2359-H2363 VanDerWaalsContact O-CB 3.3Å; I2359-H2363 WeakPolarHBondContact O-CB 3.11Å; I2359-H2363 PolarHBondContact O-N 3Å; I2359-I2398 HydrophobicContact CD1-CG2 4.37Å; I2359-T2401 WeakPolarHBondContact CG2-O 3.39Å; I2359-L2405 HydrophobicContact CG2-CB 4.05Å; I2359-L2405 HydrophobicContact CG2-CD2 4.04Å |
| 2360 | E | 88.9 | Confident | 87.8 | Confident | 53.5 Ų | 53.5 | 37.5 Ų | 37.5 | 25% | 0.25 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69 | -34.8 | 178.7 | -73.6 | 178 | 164.5 | 0 | 0 | 113 | R2270 I2356 A2357 N2358 H2363 N2364 T2401 | R2270-E2360 IonicContact CZ-OE2 3.19Å; R2270-E2360 IonicContact NH1-OE2 3.37Å; R2270-E2360 PolarHBondContact NH1-OE2 2.9Å; I2356-E2360 HydrophobicContact CG2-CG 4.38Å; I2356-E2360 WeakPolarHBondContact O-CB 3.31Å; I2356-E2360 VanDerWaalsContact O-CG 3.3Å; I2356-E2360 WeakPolarHBondContact O-CG 3.26Å; I2356-E2360 PolarHBondContact O-N 3.41Å; A2357-E2360 PolarHBondContact O-N 3.05Å; N2358-E2360 VanDerWaalsContact C-N 3.31Å; N2358-E2360 PolarHBondContact O-N 3.4Å; E2360-H2363 WeakPolarHBondContact O-CB 3.39Å; E2360-H2363 PolarHBondContact O-N 3.13Å; E2360-N2364 WeakPolarHBondContact O-CB 3.19Å; E2360-N2364 PolarHBondContact O-N 3.36Å; E2360-T2401 HydrophobicContact CG-CG2 3.87Å |
| 2361 | I | 88.6 | Confident | 88 | Confident | 5.5 Ų | 5.5 | 37.1 Ų | 37.1 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | 172.2 | -69.6 | 164.2 | 0 | 0 | 0 | 110.1 | R2270 I2273 F2288 A2357 N2358 H2363 N2364 L2365 | R2270-I2361 HydrophobicContact CB-CG1 3.74Å; R2270-I2361 HydrophobicContact CG-CG1 3.92Å; I2273-I2361 HydrophobicContact CD1-CG2 3.9Å; F2288-I2361 HydrophobicContact CE1-CG2 3.56Å; F2288-I2361 HydrophobicContact CZ-CG2 3.77Å; A2357-I2361 VanDerWaalsContact O-CG1 3.3Å; A2357-I2361 WeakPolarHBondContact O-CG1 3.35Å; A2357-I2361 PolarHBondContact O-N 3.28Å; N2358-I2361 PolarHBondContact O-N 3.1Å; I2361-H2363 VanDerWaalsContact C-N 3.31Å; I2361-H2363 PolarHBondContact O-N 3.27Å; I2361-N2364 WeakPolarHBondContact O-CB 3.21Å; I2361-N2364 PolarHBondContact O-N 3.27Å; I2361-N2364 VanDerWaalsContact O-N 3.16Å; I2361-L2365 PolarHBondContact O-N 3.26Å |
| 2362 | L | 91.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 176.2 | -72.6 | 169.2 | 0 | 0 | 0 | 112.2 | L2289 L2296 N2358 I2359 N2364 L2365 V2366 I2381 L2405 | L2289-L2362 HydrophobicContact CD1-CD2 3.54Å; L2289-L2362 VanDerWaalsContact CD1-CD2 3.48Å; L2296-L2362 HydrophobicContact CD1-CD1 3.48Å; L2296-L2362 VanDerWaalsContact CD1-CD1 3.48Å; L2296-L2362 HydrophobicContact CG-CD1 4.2Å; N2358-L2362 WeakPolarHBondContact O-CG 3.34Å; N2358-L2362 PolarHBondContact O-N 2.92Å; N2358-L2362 VanDerWaalsContact O-N 3.08Å; I2359-L2362 PolarHBondContact O-N 3.41Å; L2362-N2364 VanDerWaalsContact C-N 3.27Å; L2362-N2364 PolarHBondContact O-N 3.12Å; L2362-L2365 HydrophobicContact CD2-CD2 4.46Å; L2362-L2365 PolarHBondContact O-N 3.01Å; L2362-V2366 WeakPolarHBondContact O-CG2 3.39Å; L2362-V2366 PolarHBondContact O-N 3.16Å; L2362-I2381 HydrophobicContact CD1-CD1 4.08Å; L2362-I2381 HydrophobicContact CD2-CD1 4.38Å; L2362-L2405 HydrophobicContact CB-CD1 4.12Å; L2362-L2405 HydrophobicContact CB-CD2 4.26Å |
| 2363 | H | 92.1 | Very high | 88.6 | Confident | 52 Ų | 52 | 37 Ų | 37 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.5 | -44.5 | 174.8 | 164 | -77.9 | 0 | 0 | 0 | 111 | I2359 E2360 I2361 Y2367 G2404 L2405 N2408 | I2359-H2363 VanDerWaalsContact O-CB 3.3Å; I2359-H2363 WeakPolarHBondContact O-CB 3.11Å; I2359-H2363 PolarHBondContact O-N 3Å; E2360-H2363 WeakPolarHBondContact O-CB 3.39Å; E2360-H2363 PolarHBondContact O-N 3.13Å; I2361-H2363 VanDerWaalsContact C-N 3.31Å; I2361-H2363 PolarHBondContact O-N 3.27Å; H2363-Y2367 WeakPolarHBondContact O-CB 3.27Å; H2363-Y2367 PolarHBondContact O-N 3.03Å; H2363-Y2367 VanDerWaalsContact O-N 3.15Å; H2363-G2404 VanDerWaalsContact CD2-C 3.46Å; H2363-G2404 PolarHBondContact CD2-O 3.4Å; H2363-L2405 HydrophobicContact CB-CB 4.37Å; H2363-L2405 HydrophobicContact CB-CD1 4.29Å; H2363-N2408 PolarHBondContact CD2-ND2 3.23Å; H2363-N2408 PolarHBondContact CE1-ND2 2.98Å; H2363-N2408 VanDerWaalsContact CE1-ND2 3.29Å; H2363-N2408 PolarHBondContact NE2-ND2 2.78Å; H2363-N2408 PolarHBondContact O-ND2 3.16Å; H2363-N2408 VanDerWaalsContact O-ND2 3.15Å |
| 2364 | N | 90.8 | Very high | 88.8 | Confident | 35 Ų | 35 | 35.9 Ų | 35.9 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.6 | -35.5 | 179.2 | -76 | -0.7 | 0 | 0 | 0 | 112.8 | R2270 I2273 K2280 E2360 I2361 L2362 | R2270-N2364 PolarHBondContact O-ND2 3Å; I2273-N2364 HydrophobicContact CG2-CB 4.14Å; K2280-N2364 VanDerWaalsContact CE-O 3.25Å; K2280-N2364 WeakPolarHBondContact CE-O 3.32Å; K2280-N2364 PolarHBondContact NZ-O 2.81Å; E2360-N2364 WeakPolarHBondContact O-CB 3.19Å; E2360-N2364 PolarHBondContact O-N 3.36Å; I2361-N2364 WeakPolarHBondContact O-CB 3.21Å; I2361-N2364 PolarHBondContact O-N 3.27Å; I2361-N2364 VanDerWaalsContact O-N 3.16Å; L2362-N2364 VanDerWaalsContact C-N 3.27Å; L2362-N2364 PolarHBondContact O-N 3.12Å |
| 2365 | L | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 177.8 | -169.8 | 89.2 | 0 | 0 | 0 | 111.4 | I2273 K2280 A2283 L2284 F2288 L2289 I2361 L2362 C2369 A2372 | I2273-L2365 HydrophobicContact CD1-CD1 4.32Å; I2273-L2365 VanDerWaalsContact CG2-CA 3.48Å; I2273-L2365 HydrophobicContact CG2-CB 3.81Å; I2273-L2365 HydrophobicContact CG2-CD1 3.89Å; I2273-L2365 HydrophobicContact CG2-CG 4.41Å; K2280-L2365 HydrophobicContact CB-CD1 4.06Å; K2280-L2365 HydrophobicContact CG-CD1 4.24Å; A2283-L2365 HydrophobicContact CB-CD1 4.35Å; L2284-L2365 HydrophobicContact CD2-CD2 3.91Å; L2284-L2365 HydrophobicContact CD2-CG 4.35Å; L2284-L2365 HydrophobicContact CG-CD1 4.42Å; F2288-L2365 HydrophobicContact CD1-CD1 4.21Å; L2289-L2365 HydrophobicContact CB-CD2 4.22Å; L2289-L2365 HydrophobicContact CD1-CD2 3.95Å; L2289-L2365 HydrophobicContact CG-CD2 4.5Å; I2361-L2365 PolarHBondContact O-N 3.26Å; L2362-L2365 HydrophobicContact CD2-CD2 4.46Å; L2362-L2365 PolarHBondContact O-N 3.01Å; L2365-C2369 WeakPolarHBondContact O-CB 3.39Å; L2365-A2372 HydrophobicContact CD2-CB 4.08Å; L2365-A2372 HydrophobicContact CG-CB 4.25Å; L2365-A2372 VanDerWaalsContact O-CB 3.32Å; L2365-A2372 WeakPolarHBondContact O-CB 3.41Å |
| 2366 | V | 90.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79 | -25.7 | -178.1 | 176.7 | 0 | 0 | 0 | 0 | 112.9 | L2362 M2368 C2369 R2373 A2376 N2408 I2409 | L2362-V2366 WeakPolarHBondContact O-CG2 3.39Å; L2362-V2366 PolarHBondContact O-N 3.16Å; V2366-M2368 PolarHBondContact O-N 3.44Å; V2366-C2369 PolarHBondContact O-N 3.24Å; V2366-R2373 HydrophobicContact CG1-CB 3.74Å; V2366-R2373 HydrophobicContact CG1-CG 3.72Å; V2366-A2376 HydrophobicContact CG2-CB 4.22Å; V2366-N2408 HydrophobicContact CG1-CB 4.49Å; V2366-I2409 HydrophobicContact CG1-CG1 3.9Å; V2366-I2409 HydrophobicContact CG2-CG1 4.45Å |
| 2367 | Y | 88.8 | Confident | 89 | Confident | 108 Ų | 108 | 38.3 Ų | 38.3 | 42% | 0.424 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 123.7 | -179 | -178.4 | -109.7 | 0 | 0 | 0 | 111.2 | K2280 H2363 C2369 | K2280-Y2367 PolarHBondContact NZ-O 3.44Å; H2363-Y2367 WeakPolarHBondContact O-CB 3.27Å; H2363-Y2367 PolarHBondContact O-N 3.03Å; H2363-Y2367 VanDerWaalsContact O-N 3.15Å; Y2367-C2369 PolarHBondContact O-N 2.91Å |
| 2368 | M | 84.7 | Confident | 89.1 | Confident | 116.5 Ų | 116.5 | 43.7 Ų | 43.7 | 57% | 0.574 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 22.3 | 179.3 | -61.5 | -77 | 98 | 0 | 0 | 115.3 | V2366 | V2366-M2368 PolarHBondContact O-N 3.44Š|
| 2369 | C | 88.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -126.4 | 99.7 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | K2280 L2365 V2366 Y2367 E2371 A2372 R2373 | K2280-C2369 HydrophobicContact CD-CB 3.83Å; L2365-C2369 WeakPolarHBondContact O-CB 3.39Å; V2366-C2369 PolarHBondContact O-N 3.24Å; Y2367-C2369 PolarHBondContact O-N 2.91Å; C2369-E2371 VanDerWaalsContact C-N 3.31Å; C2369-E2371 PolarHBondContact O-N 2.96Å; C2369-E2371 PolarHBondContact SG-OE2 3.07Å; C2369-A2372 HydrophobicContact CB-CB 3.88Å; C2369-A2372 PolarHBondContact O-N 3.26Å; C2369-R2373 WeakPolarHBondContact O-CB 3.42Å; C2369-R2373 PolarHBondContact O-N 3.17Å; C2369-R2373 VanDerWaalsContact O-N 3.13Å | ||
| 2370 | P | 86.9 | Confident | 88.9 | Confident | 74.5 Ų | 74.5 | 46 Ų | 46 | 48% | 0.484 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.5 | -34.6 | -176.9 | 26.3 | -32.1 | 0 | 0 | 0 | 112.3 | R2373 M2374 | P2370-R2373 WeakPolarHBondContact O-CB 2.88Å; P2370-R2373 PolarHBondContact O-N 3.41Å; P2370-M2374 WeakPolarHBondContact O-CG 3.33Å; P2370-M2374 PolarHBondContact O-N 3.17Å |
| 2371 | E | 88 | Confident | 89 | Confident | 99.5 Ų | 99.5 | 43.5 Ų | 43.5 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 177.2 | -58.5 | 88.4 | -178.8 | 0 | 0 | 111.3 | H2277 I2281 C2369 R2373 M2374 R2375 | H2277-E2371 IonicContact CE1-OE2 3.96Å; I2281-E2371 HydrophobicContact CD1-CB 4.44Å; C2369-E2371 VanDerWaalsContact C-N 3.31Å; C2369-E2371 PolarHBondContact O-N 2.96Å; C2369-E2371 PolarHBondContact SG-OE2 3.07Å; E2371-R2373 VanDerWaalsContact C-N 3.28Å; E2371-R2373 PolarHBondContact O-N 3.07Å; E2371-M2374 PolarHBondContact O-N 3.15Å; E2371-R2375 WeakPolarHBondContact O-CB 3.47Å; E2371-R2375 PolarHBondContact O-N 3.28Å |
| 2372 | A | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2284 L2365 C2369 A2376 | L2284-A2372 HydrophobicContact CD1-CB 3.71Å; L2284-A2372 HydrophobicContact CD2-CB 4.04Å; L2284-A2372 HydrophobicContact CG-CB 4.36Å; L2365-A2372 HydrophobicContact CD2-CB 4.08Å; L2365-A2372 HydrophobicContact CG-CB 4.25Å; L2365-A2372 VanDerWaalsContact O-CB 3.32Å; L2365-A2372 WeakPolarHBondContact O-CB 3.41Å; C2369-A2372 HydrophobicContact CB-CB 3.88Å; C2369-A2372 PolarHBondContact O-N 3.26Å; A2372-A2376 VanDerWaalsContact O-CB 3.24Å; A2372-A2376 WeakPolarHBondContact O-CB 3.39Å; A2372-A2376 PolarHBondContact O-N 3.02Å |
| 2373 | R | 91.7 | Very high | 88.7 | Confident | 22.5 Ų | 22.5 | 44.6 Ų | 44.6 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.8 | -50.6 | -178.2 | -168.2 | 178.8 | -54.9 | 154.8 | 17.6 | 111.5 | V2366 C2369 P2370 E2371 A2376 I2377 N2408 I2409 A2411 | V2366-R2373 HydrophobicContact CG1-CB 3.74Å; V2366-R2373 HydrophobicContact CG1-CG 3.72Å; C2369-R2373 WeakPolarHBondContact O-CB 3.42Å; C2369-R2373 PolarHBondContact O-N 3.17Å; C2369-R2373 VanDerWaalsContact O-N 3.13Å; P2370-R2373 WeakPolarHBondContact O-CB 2.88Å; P2370-R2373 PolarHBondContact O-N 3.41Å; E2371-R2373 VanDerWaalsContact C-N 3.28Å; E2371-R2373 PolarHBondContact O-N 3.07Å; R2373-A2376 PolarHBondContact O-N 3.13Å; R2373-I2377 HydrophobicContact CG-CD1 4.27Å; R2373-I2377 WeakPolarHBondContact O-CD1 3.42Å; R2373-I2377 VanDerWaalsContact O-CG1 3.28Å; R2373-I2377 WeakPolarHBondContact O-CG1 3.4Å; R2373-I2377 PolarHBondContact O-N 2.92Å; R2373-I2377 VanDerWaalsContact O-N 3.11Å; R2373-N2408 PolarHBondContact NE-O 2.93Å; R2373-N2408 VanDerWaalsContact NE-O 3.14Å; R2373-I2409 VanDerWaalsContact CD-O 3.27Å; R2373-I2409 WeakPolarHBondContact CD-O 3.32Å; R2373-A2411 PolarHBondContact NH1-O 3.26Å |
| 2374 | M | 89.2 | Confident | 88.5 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 31% | 0.305 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 179.8 | -71.3 | -56.2 | -60.9 | 0 | 0 | 111 | P2370 E2371 A2376 I2377 E2378 | P2370-M2374 WeakPolarHBondContact O-CG 3.33Å; P2370-M2374 PolarHBondContact O-N 3.17Å; E2371-M2374 PolarHBondContact O-N 3.15Å; M2374-A2376 VanDerWaalsContact C-N 3.29Å; M2374-A2376 PolarHBondContact O-N 3.17Å; M2374-I2377 PolarHBondContact O-N 3.26Å; M2374-I2377 VanDerWaalsContact O-N 3.15Å; M2374-I2377 HydrophobicContact SD-CD1 4.33Å; M2374-E2378 WeakPolarHBondContact O-CG 3.41Å; M2374-E2378 PolarHBondContact O-N 3.16Å |
| 2375 | R | 88.5 | Confident | 88.4 | Confident | 120 Ų | 120 | 40.9 Ų | 40.9 | 45% | 0.453 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.5 | -157.5 | 172.1 | -145.9 | 126.1 | 4.4 | 112.4 | L2289 E2290 E2371 I2377 E2378 S2379 | L2289-R2375 HydrophobicContact CD2-CB 3.95Å; L2289-R2375 HydrophobicContact CD2-CG 4.05Å; E2290-R2375 IonicContact OE1-NE 3.73Å; E2371-R2375 WeakPolarHBondContact O-CB 3.47Å; E2371-R2375 PolarHBondContact O-N 3.28Å; R2375-I2377 VanDerWaalsContact C-N 3.34Å; R2375-I2377 PolarHBondContact O-N 3.17Å; R2375-E2378 PolarHBondContact O-N 3.2Å; R2375-S2379 VanDerWaalsContact O-CB 3.25Å; R2375-S2379 WeakPolarHBondContact O-CB 3.22Å; R2375-S2379 PolarHBondContact O-N 3.02Å; R2375-S2379 PolarHBondContact O-OG 3.27Å |
| 2376 | A | 90.2 | Very high | 88.2 | Confident | 0.5 Ų | 0.5 | 43.1 Ų | 43.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L2289 V2366 A2372 R2373 M2374 S2379 G2380 I2381 | L2289-A2376 HydrophobicContact CD1-CB 3.95Å; L2289-A2376 HydrophobicContact CD2-CB 4Å; L2289-A2376 HydrophobicContact CG-CB 4.5Å; V2366-A2376 HydrophobicContact CG2-CB 4.22Å; A2372-A2376 VanDerWaalsContact O-CB 3.24Å; A2372-A2376 WeakPolarHBondContact O-CB 3.39Å; A2372-A2376 PolarHBondContact O-N 3.02Å; R2373-A2376 PolarHBondContact O-N 3.13Å; M2374-A2376 VanDerWaalsContact C-N 3.29Å; M2374-A2376 PolarHBondContact O-N 3.17Å; A2376-S2379 PolarHBondContact O-N 3.16Å; A2376-G2380 PolarHBondContact O-N 3.17Å; A2376-I2381 HydrophobicContact CB-CB 4.35Å; A2376-I2381 HydrophobicContact CB-CD1 4.33Å; A2376-I2381 HydrophobicContact CB-CG2 3.93Å; A2376-I2381 WeakPolarHBondContact O-CB 3.4Å; A2376-I2381 WeakPolarHBondContact O-CG2 3.47Å; A2376-I2381 PolarHBondContact O-N 3.32Å |
| 2377 | I | 87.5 | Confident | 87.9 | Confident | 12.5 Ų | 12.5 | 44 Ų | 44 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 175.5 | -63.6 | 159.5 | 0 | 0 | 0 | 110.1 | R2373 M2374 R2375 S2379 G2380 I2382 I2409 A2416 V2419 | R2373-I2377 HydrophobicContact CG-CD1 4.27Å; R2373-I2377 WeakPolarHBondContact O-CD1 3.42Å; R2373-I2377 VanDerWaalsContact O-CG1 3.28Å; R2373-I2377 WeakPolarHBondContact O-CG1 3.4Å; R2373-I2377 PolarHBondContact O-N 2.92Å; R2373-I2377 VanDerWaalsContact O-N 3.11Å; M2374-I2377 PolarHBondContact O-N 3.26Å; M2374-I2377 VanDerWaalsContact O-N 3.15Å; M2374-I2377 HydrophobicContact SD-CD1 4.33Å; R2375-I2377 VanDerWaalsContact C-N 3.34Å; R2375-I2377 PolarHBondContact O-N 3.17Å; I2377-S2379 VanDerWaalsContact C-N 3.31Å; I2377-S2379 PolarHBondContact O-N 3.43Å; I2377-G2380 PolarHBondContact O-N 3.11Å; I2377-G2380 VanDerWaalsContact O-N 3.16Å; I2377-I2382 HydrophobicContact CG1-CD1 4.34Å; I2377-I2382 HydrophobicContact CG2-CD1 4.46Å; I2377-I2409 HydrophobicContact CD1-CG2 4.45Å; I2377-I2409 HydrophobicContact CG1-CG2 4.14Å; I2377-A2416 HydrophobicContact CD1-CB 3.62Å; I2377-A2416 HydrophobicContact CG1-CB 4.23Å; I2377-V2419 HydrophobicContact CG2-CG2 4.4Å |
| 2378 | E | 87.4 | Confident | 87.8 | Confident | 145 Ų | 145 | 39 Ų | 39 | 68% | 0.678 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.4 | -38.3 | 177.3 | -70.5 | 172.5 | -179 | 0 | 0 | 112.4 | M2374 R2375 G2380 | M2374-E2378 WeakPolarHBondContact O-CG 3.41Å; M2374-E2378 PolarHBondContact O-N 3.16Å; R2375-E2378 PolarHBondContact O-N 3.2Å; E2378-G2380 PolarHBondContact O-N 3.37Å |
| 2379 | S | 87.3 | Confident | 88 | Confident | 43 Ų | 43 | 34 Ų | 34 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 1.4 | 177 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | E2290 R2375 A2376 I2377 | E2290-S2379 PolarHBondContact OE1-OG 3.37Å; R2375-S2379 VanDerWaalsContact O-CB 3.25Å; R2375-S2379 WeakPolarHBondContact O-CB 3.22Å; R2375-S2379 PolarHBondContact O-N 3.02Å; R2375-S2379 PolarHBondContact O-OG 3.27Å; A2376-S2379 PolarHBondContact O-N 3.16Å; I2377-S2379 VanDerWaalsContact C-N 3.31Å; I2377-S2379 PolarHBondContact O-N 3.43Å |
| 2380 | G | 87.2 | Confident | 87.7 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 26.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115.8 | A2376 I2377 E2378 I2382 Q2383 V2384 | A2376-G2380 PolarHBondContact O-N 3.17Å; I2377-G2380 PolarHBondContact O-N 3.11Å; I2377-G2380 VanDerWaalsContact O-N 3.16Å; E2378-G2380 PolarHBondContact O-N 3.37Å; G2380-I2382 VanDerWaalsContact C-N 3.27Å; G2380-I2382 PolarHBondContact O-N 3.43Å; G2380-Q2383 PolarHBondContact O-N 3.27Å; G2380-Q2383 PolarHBondContact O-OE1 2.9Å; G2380-V2384 PolarHBondContact O-N 3.23Å |
| 2381 | I | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -36.3 | -179.9 | -167.3 | 114.4 | 0 | 0 | 0 | 112.7 | I2293 L2296 L2362 A2376 Q2383 V2384 I2385 L2405 I2409 | I2293-I2381 HydrophobicContact CD1-CB 4.07Å; I2293-I2381 HydrophobicContact CD1-CD1 4.36Å; I2293-I2381 HydrophobicContact CD1-CG1 4.36Å; I2293-I2381 HydrophobicContact CG1-CB 4.46Å; I2293-I2381 HydrophobicContact CG1-CD1 4.01Å; I2293-I2381 HydrophobicContact CG1-CG1 4.25Å; L2296-I2381 HydrophobicContact CD1-CD1 4.04Å; L2362-I2381 HydrophobicContact CD1-CD1 4.08Å; L2362-I2381 HydrophobicContact CD2-CD1 4.38Å; A2376-I2381 HydrophobicContact CB-CB 4.35Å; A2376-I2381 HydrophobicContact CB-CD1 4.33Å; A2376-I2381 HydrophobicContact CB-CG2 3.93Å; A2376-I2381 WeakPolarHBondContact O-CB 3.4Å; A2376-I2381 WeakPolarHBondContact O-CG2 3.47Å; A2376-I2381 PolarHBondContact O-N 3.32Å; I2381-Q2383 VanDerWaalsContact C-N 3.33Å; I2381-Q2383 PolarHBondContact O-N 3.14Å; I2381-V2384 PolarHBondContact O-N 3.11Å; I2381-I2385 HydrophobicContact CG1-CD1 4.1Å; I2381-I2385 HydrophobicContact CG1-CG1 4.38Å; I2381-I2385 WeakPolarHBondContact O-CG1 3.33Å; I2381-I2385 PolarHBondContact O-N 2.88Å; I2381-L2405 HydrophobicContact CD1-CD2 4.49Å; I2381-I2409 HydrophobicContact CG1-CD1 4.12Å; I2381-I2409 HydrophobicContact CG2-CD1 3.84Å |
| 2382 | I | 88 | Confident | 87.3 | Confident | 0.5 Ų | 0.5 | 29.7 Ų | 29.7 | 0% | 0.003 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | -177.5 | -67.2 | 173.6 | 0 | 0 | 0 | 110.2 | I2377 G2380 V2384 I2385 I2386 I2409 A2416 V2419 L2420 | I2377-I2382 HydrophobicContact CG1-CD1 4.34Å; I2377-I2382 HydrophobicContact CG2-CD1 4.46Å; G2380-I2382 VanDerWaalsContact C-N 3.27Å; G2380-I2382 PolarHBondContact O-N 3.43Å; I2382-V2384 VanDerWaalsContact C-N 3.34Å; I2382-V2384 PolarHBondContact O-N 2.85Å; I2382-I2385 PolarHBondContact O-N 3.23Å; I2382-I2386 HydrophobicContact CG2-CD1 3.97Å; I2382-I2386 VanDerWaalsContact O-CG1 3.3Å; I2382-I2386 WeakPolarHBondContact O-CG1 3.27Å; I2382-I2386 PolarHBondContact O-N 3.27Å; I2382-I2409 HydrophobicContact CD1-CG2 4.43Å; I2382-A2416 HydrophobicContact CD1-CB 4.37Å; I2382-V2419 HydrophobicContact CB-CG1 4.27Å; I2382-V2419 HydrophobicContact CD1-CB 3.91Å; I2382-V2419 HydrophobicContact CD1-CG1 3.77Å; I2382-V2419 HydrophobicContact CG2-CG1 4.16Å; I2382-L2420 HydrophobicContact CD1-CD1 4.46Å; I2382-L2420 HydrophobicContact CD1-CG 4.33Å; I2382-L2420 HydrophobicContact CG2-CD2 4.14Å; I2382-L2420 HydrophobicContact CG2-CG 3.81Å |
| 2383 | Q | 86.6 | Confident | 87 | Confident | 30 Ų | 30 | 32 Ų | 32 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.1 | -66.1 | 80.1 | -13.4 | 0 | 0 | 110.5 | G2380 I2381 I2386 C2387 I2427 | G2380-Q2383 PolarHBondContact O-N 3.27Å; G2380-Q2383 PolarHBondContact O-OE1 2.9Å; I2381-Q2383 VanDerWaalsContact C-N 3.33Å; I2381-Q2383 PolarHBondContact O-N 3.14Å; Q2383-I2386 PolarHBondContact O-N 3.26Å; Q2383-C2387 PolarHBondContact O-N 3.25Å; Q2383-C2387 VanDerWaalsContact O-N 3.08Å; Q2383-C2387 PolarHBondContact O-SG 3.22Å; Q2383-C2387 VanDerWaalsContact O-SG 3.37Å; Q2383-I2427 HydrophobicContact CB-CD1 4.09Å |
| 2384 | V | 88.2 | Confident | 86.5 | Confident | 5.5 Ų | 5.5 | 33.7 Ų | 33.7 | 3% | 0.033 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | I2293 L2296 Q2297 G2380 I2381 I2382 I2386 C2387 I2388 | I2293-V2384 HydrophobicContact CG2-CB 4.47Å; I2293-V2384 HydrophobicContact CG2-CG2 3.77Å; L2296-V2384 HydrophobicContact CB-CG1 4Å; L2296-V2384 HydrophobicContact CD1-CG1 4.48Å; Q2297-V2384 HydrophobicContact CG-CB 4.46Å; Q2297-V2384 HydrophobicContact CG-CG1 3.94Å; Q2297-V2384 HydrophobicContact CG-CG2 3.71Å; G2380-V2384 PolarHBondContact O-N 3.23Å; I2381-V2384 PolarHBondContact O-N 3.11Å; I2382-V2384 VanDerWaalsContact C-N 3.34Å; I2382-V2384 PolarHBondContact O-N 2.85Å; V2384-I2386 PolarHBondContact O-N 3.42Å; V2384-C2387 WeakPolarHBondContact O-CB 3.49Å; V2384-C2387 PolarHBondContact O-N 3.03Å; V2384-C2387 VanDerWaalsContact O-N 3.15Å; V2384-I2388 HydrophobicContact CG1-CD1 3.67Å; V2384-I2388 HydrophobicContact CG1-CG1 4.44Å; V2384-I2388 WeakPolarHBondContact O-CD1 3.41Å; V2384-I2388 VanDerWaalsContact O-CG1 3.29Å; V2384-I2388 WeakPolarHBondContact O-CG1 3.42Å; V2384-I2388 PolarHBondContact O-N 3.17Å |
| 2385 | I | 88.2 | Confident | 86.1 | Confident | 2.5 Ų | 2.5 | 31 Ų | 31 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.7 | -71.2 | 170.8 | 0 | 0 | 0 | 111.7 | I2381 I2382 C2387 I2388 W2389 T2402 L2405 L2406 I2409 | I2381-I2385 HydrophobicContact CG1-CD1 4.1Å; I2381-I2385 HydrophobicContact CG1-CG1 4.38Å; I2381-I2385 WeakPolarHBondContact O-CG1 3.33Å; I2381-I2385 PolarHBondContact O-N 2.88Å; I2382-I2385 PolarHBondContact O-N 3.23Å; I2385-C2387 VanDerWaalsContact C-N 3.25Å; I2385-C2387 PolarHBondContact O-N 3.28Å; I2385-I2388 CarbonylContact O-C 3.56Å; I2385-I2388 PolarHBondContact O-N 3.22Å; I2385-I2388 VanDerWaalsContact O-N 3.07Å; I2385-W2389 PolarHBondContact O-N 2.97Å; I2385-T2402 HydrophobicContact CB-CG2 4.5Å; I2385-T2402 HydrophobicContact CG1-CG2 4.43Å; I2385-T2402 HydrophobicContact CG2-CG2 3.48Å; I2385-T2402 VanDerWaalsContact CG2-CG2 3.48Å; I2385-L2405 HydrophobicContact CD1-CD2 3.71Å; I2385-L2405 HydrophobicContact CD1-CG 4.09Å; I2385-L2405 HydrophobicContact CG1-CD2 4.45Å; I2385-L2406 HydrophobicContact CD1-CD2 3.72Å; I2385-L2406 HydrophobicContact CD1-CG 4.1Å; I2385-L2406 HydrophobicContact CG2-CD1 3.88Å; I2385-L2406 HydrophobicContact CG2-CD2 3.96Å; I2385-L2406 HydrophobicContact CG2-CG 4.05Å; I2385-I2409 HydrophobicContact CD1-CD1 4.15Å |
| 2386 | I | 85.6 | Confident | 85.9 | Confident | 46.5 Ų | 46.5 | 27.7 Ų | 27.7 | 24% | 0.238 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 175.9 | -69 | 166.3 | 0 | 0 | 0 | 110.4 | I2382 Q2383 V2384 W2389 P2423 F2478 | I2382-I2386 HydrophobicContact CG2-CD1 3.97Å; I2382-I2386 VanDerWaalsContact O-CG1 3.3Å; I2382-I2386 WeakPolarHBondContact O-CG1 3.27Å; I2382-I2386 PolarHBondContact O-N 3.27Å; Q2383-I2386 PolarHBondContact O-N 3.26Å; V2384-I2386 PolarHBondContact O-N 3.42Å; I2386-W2389 VanDerWaalsContact O-CB 3.32Å; I2386-W2389 WeakPolarHBondContact O-CB 3.42Å; I2386-W2389 PolarHBondContact O-N 3.11Å; I2386-P2423 HydrophobicContact CD1-CB 3.88Å; I2386-P2423 HydrophobicContact CD1-CG 4.03Å; I2386-F2478 HydrophobicContact CG1-CD2 4.03Å; I2386-F2478 HydrophobicContact CG1-CG 4.36Å |
| 2387 | C | 85.1 | Confident | 85.6 | Confident | 21 Ų | 21 | 31.8 Ų | 31.8 | 14% | 0.142 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -32.3 | 175.1 | -67.8 | 0 | 0 | 0 | 0 | 113.6 | R2300 Q2383 V2384 I2385 P2390 | R2300-C2387 PolarHBondContact NE-O 3.21Å; R2300-C2387 VanDerWaalsContact NE-O 3.13Å; Q2383-C2387 PolarHBondContact O-N 3.25Å; Q2383-C2387 VanDerWaalsContact O-N 3.08Å; Q2383-C2387 PolarHBondContact O-SG 3.22Å; Q2383-C2387 VanDerWaalsContact O-SG 3.37Å; V2384-C2387 WeakPolarHBondContact O-CB 3.49Å; V2384-C2387 PolarHBondContact O-N 3.03Å; V2384-C2387 VanDerWaalsContact O-N 3.15Å; I2385-C2387 VanDerWaalsContact C-N 3.25Å; I2385-C2387 PolarHBondContact O-N 3.28Å; C2387-P2390 WeakPolarHBondContact O-CD 3.42Å |
| 2388 | I | 86.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -78.8 | -23.2 | 177.5 | -66.2 | 160.1 | 0 | 0 | 0 | 111.5 | L2296 R2300 M2355 V2384 I2385 P2390 L2391 A2392 I2398 | L2296-I2388 HydrophobicContact CB-CD1 4.19Å; L2296-I2388 HydrophobicContact CD1-CD1 4.44Å; R2300-I2388 HydrophobicContact CB-CG1 4.3Å; R2300-I2388 HydrophobicContact CG-CG1 4.44Å; M2355-I2388 HydrophobicContact CE-CB 4.33Å; M2355-I2388 HydrophobicContact CE-CD1 3.34Å; M2355-I2388 VanDerWaalsContact CE-CD1 3.48Å; M2355-I2388 HydrophobicContact CE-CG1 3.53Å; M2355-I2388 VanDerWaalsContact CE-CG1 3.45Å; M2355-I2388 HydrophobicContact CE-CG2 3.8Å; M2355-I2388 HydrophobicContact SD-CD1 4.48Å; V2384-I2388 HydrophobicContact CG1-CD1 3.67Å; V2384-I2388 HydrophobicContact CG1-CG1 4.44Å; V2384-I2388 WeakPolarHBondContact O-CD1 3.41Å; V2384-I2388 VanDerWaalsContact O-CG1 3.29Å; V2384-I2388 WeakPolarHBondContact O-CG1 3.42Å; V2384-I2388 PolarHBondContact O-N 3.17Å; I2385-I2388 CarbonylContact O-C 3.56Å; I2385-I2388 PolarHBondContact O-N 3.22Å; I2385-I2388 VanDerWaalsContact O-N 3.07Å; I2388-P2390 VanDerWaalsContact C-CD 3.41Å; I2388-P2390 VanDerWaalsContact O-N 3.17Å; I2388-L2391 WeakPolarHBondContact O-CA 3.3Å; I2388-L2391 WeakPolarHBondContact O-CB 3.41Å; I2388-L2391 PolarHBondContact O-N 3.04Å; I2388-A2392 PolarHBondContact O-N 2.86Å; I2388-I2398 HydrophobicContact CG2-CG2 4.26Å |
| 2389 | W | 87.7 | Confident | 85.8 | Confident | 12.5 Ų | 12.5 | 24.5 Ų | 24.5 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -49.7 | -42.7 | -173.8 | -165.8 | -106.2 | 0 | 0 | 0 | 115.2 | I2385 I2386 L2391 A2392 L2393 L2399 T2402 L2403 L2406 F2478 S2481 L2482 L2485 | I2385-W2389 PolarHBondContact O-N 2.97Å; I2386-W2389 VanDerWaalsContact O-CB 3.32Å; I2386-W2389 WeakPolarHBondContact O-CB 3.42Å; I2386-W2389 PolarHBondContact O-N 3.11Å; W2389-L2391 VanDerWaalsContact C-N 3.33Å; W2389-L2391 PolarHBondContact O-N 3.32Å; W2389-A2392 WeakPolarHBondContact O-CB 3.44Å; W2389-A2392 PolarHBondContact O-N 3.19Å; W2389-A2392 VanDerWaalsContact O-N 3.13Å; W2389-L2393 WeakPolarHBondContact O-CG 3.46Å; W2389-L2393 PolarHBondContact O-N 3.11Å; W2389-L2399 HydrophobicContact CE3-CD1 4.44Å; W2389-L2399 HydrophobicContact CH2-CD1 3.76Å; W2389-L2399 HydrophobicContact CZ2-CD1 4.18Å; W2389-L2399 HydrophobicContact CZ3-CD1 3.9Å; W2389-T2402 HydrophobicContact CE3-CG2 4.37Å; W2389-T2402 HydrophobicContact CZ3-CG2 4.44Å; W2389-L2403 HydrophobicContact CH2-CD2 3.79Å; W2389-L2403 HydrophobicContact CH2-CG 4.26Å; W2389-L2403 HydrophobicContact CZ3-CD2 4.19Å; W2389-L2403 HydrophobicContact CZ3-CG 4.41Å; W2389-L2406 HydrophobicContact CZ3-CD1 4.22Å; W2389-F2478 HydrophobicContact CB-CE2 4.37Å; W2389-F2478 HydrophobicContact CD2-CD2 4.06Å; W2389-F2478 AromaticContact CD2-CE2 3.39Å; W2389-F2478 HydrophobicContact CD2-CE2 3.39Å; W2389-F2478 HydrophobicContact CD2-CZ 4.22Å; W2389-F2478 AromaticContact CE2-CE2 3.76Å; W2389-F2478 HydrophobicContact CE3-CD2 4.49Å; W2389-F2478 AromaticContact CE3-CE2 3.44Å; W2389-F2478 HydrophobicContact CE3-CE2 3.44Å; W2389-F2478 VanDerWaalsContact CE3-CE2 3.44Å; W2389-F2478 AromaticContact CE3-CZ 3.98Å; W2389-F2478 HydrophobicContact CE3-CZ 3.98Å; W2389-F2478 HydrophobicContact CG-CD2 4.06Å; W2389-F2478 AromaticContact CG-CE2 3.84Å; W2389-F2478 HydrophobicContact CG-CE2 3.84Å; W2389-F2478 HydrophobicContact CH2-CE2 4.14Å; W2389-F2478 HydrophobicContact CH2-CZ 4Å; W2389-F2478 HydrophobicContact CZ2-CE2 4.13Å; W2389-F2478 HydrophobicContact CZ2-CZ 4.26Å; W2389-F2478 AromaticContact CZ3-CE2 3.82Å; W2389-F2478 HydrophobicContact CZ3-CE2 3.82Å; W2389-F2478 AromaticContact CZ3-CZ 3.86Å; W2389-F2478 HydrophobicContact CZ3-CZ 3.86Å; W2389-S2481 PolarHBondContact NE1-OG 2.83Å; W2389-L2482 HydrophobicContact CH2-CD1 3.91Å; W2389-L2482 HydrophobicContact CZ2-CD1 4.19Å; W2389-L2485 HydrophobicContact CH2-CD1 4.44Å; W2389-L2485 HydrophobicContact CZ2-CD1 3.9Å |
| 2390 | P | 82.7 | Confident | 85.9 | Confident | 75 Ų | 75 | 27.2 Ų | 27.2 | 49% | 0.487 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.3 | -38 | 176.3 | -22.5 | 34.8 | 0 | 0 | 0 | 113.5 | C2387 I2388 L2393 | C2387-P2390 WeakPolarHBondContact O-CD 3.42Å; I2388-P2390 VanDerWaalsContact C-CD 3.41Å; I2388-P2390 VanDerWaalsContact O-N 3.17Å; P2390-L2393 PolarHBondContact O-N 3.17Å |
| 2391 | L | 83.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 174.7 | -62.2 | 168.3 | 0 | 0 | 0 | 110.8 | R2300 M2303 E2304 W2348 I2388 W2389 L2393 Q2394 D2395 | R2300-L2391 HydrophobicContact CB-CD1 4.35Å; R2300-L2391 HydrophobicContact CG-CD1 3.73Å; M2303-L2391 HydrophobicContact CB-CD1 4.21Å; M2303-L2391 HydrophobicContact CB-CD2 4.48Å; E2304-L2391 HydrophobicContact CG-CD1 4.28Å; E2304-L2391 HydrophobicContact CG-CD2 4.19Å; W2348-L2391 HydrophobicContact CH2-CD2 3.85Å; W2348-L2391 HydrophobicContact CZ3-CD2 4.36Å; I2388-L2391 WeakPolarHBondContact O-CA 3.3Å; I2388-L2391 WeakPolarHBondContact O-CB 3.41Å; I2388-L2391 PolarHBondContact O-N 3.04Å; W2389-L2391 VanDerWaalsContact C-N 3.33Å; W2389-L2391 PolarHBondContact O-N 3.32Å; L2391-L2393 VanDerWaalsContact C-N 3.29Å; L2391-L2393 PolarHBondContact O-N 3.08Å; L2391-Q2394 WeakPolarHBondContact O-CA 3.2Å; L2391-Q2394 WeakPolarHBondContact O-CB 3.36Å; L2391-Q2394 PolarHBondContact O-N 2.93Å; L2391-D2395 PolarHBondContact O-N 2.99Å |
| 2392 | A | 83.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I2388 W2389 Q2394 D2395 I2398 L2399 | I2388-A2392 PolarHBondContact O-N 2.86Å; W2389-A2392 WeakPolarHBondContact O-CB 3.44Å; W2389-A2392 PolarHBondContact O-N 3.19Å; W2389-A2392 VanDerWaalsContact O-N 3.13Å; A2392-Q2394 PolarHBondContact O-N 3.18Å; A2392-D2395 CarbonylContact O-C 3.29Å; A2392-D2395 VanDerWaalsContact O-C 3.3Å; A2392-D2395 PolarHBondContact O-N 3.28Å; A2392-I2398 HydrophobicContact CB-CB 4.47Å; A2392-I2398 HydrophobicContact CB-CG2 3.9Å; A2392-L2399 HydrophobicContact CB-CB 4.32Å; A2392-L2399 HydrophobicContact CB-CD1 4.22Å; A2392-L2399 WeakPolarHBondContact O-CB 3.45Å |
| 2393 | L | 82.7 | Confident | 86.5 | Confident | 48 Ų | 48 | 27.2 Ų | 27.2 | 25% | 0.251 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.1 | -20.3 | 174.3 | -66.1 | 173.9 | 0 | 0 | 0 | 113.3 | W2389 P2390 L2391 F2466 L2485 | W2389-L2393 WeakPolarHBondContact O-CG 3.46Å; W2389-L2393 PolarHBondContact O-N 3.11Å; P2390-L2393 PolarHBondContact O-N 3.17Å; L2391-L2393 VanDerWaalsContact C-N 3.29Å; L2391-L2393 PolarHBondContact O-N 3.08Å; L2393-F2466 WeakPolarHBondContact O-CD2 3.2Å; L2393-L2485 HydrophobicContact CD2-CD1 4.12Å; L2393-L2485 HydrophobicContact CD2-CD2 3.99Å; L2393-L2485 HydrophobicContact CD2-CG 4.47Å |
| 2394 | Q | 80.1 | Confident | 86.8 | Confident | 58.5 Ų | 58.5 | 26.1 Ų | 26.1 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -87.7 | -23.2 | 175.4 | -62.3 | 174.9 | 2 | 0 | 0 | 113.2 | L2391 A2392 | L2391-Q2394 WeakPolarHBondContact O-CA 3.2Å; L2391-Q2394 WeakPolarHBondContact O-CB 3.36Å; L2391-Q2394 PolarHBondContact O-N 2.93Å; A2392-Q2394 PolarHBondContact O-N 3.18Å |
| 2395 | D | 81.8 | Confident | 87.1 | Confident | 6.5 Ų | 6.5 | 25.9 Ų | 25.9 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | trans | -132.3 | 106.4 | 179.1 | -168.4 | -27 | 0 | 0 | 0 | 111.5 | W2348 L2391 A2392 R2397 I2398 L2399 | W2348-D2395 HydrophobicContact CZ2-CB 4.48Å; L2391-D2395 PolarHBondContact O-N 2.99Å; A2392-D2395 CarbonylContact O-C 3.29Å; A2392-D2395 VanDerWaalsContact O-C 3.3Å; A2392-D2395 PolarHBondContact O-N 3.28Å; D2395-R2397 PolarHBondContact O-N 3.05Å; D2395-R2397 VanDerWaalsContact OD1-CB 3.29Å; D2395-R2397 WeakPolarHBondContact OD1-CB 3.45Å; D2395-R2397 WeakPolarHBondContact OD1-CG 3.35Å; D2395-R2397 IonicContact OD1-CZ 3.08Å; D2395-R2397 PolarHBondContact OD1-N 3.01Å; D2395-R2397 IonicContact OD1-NE 2.86Å; D2395-R2397 PolarHBondContact OD1-NE 3.06Å; D2395-R2397 VanDerWaalsContact OD1-NE 3.13Å; D2395-R2397 IonicContact OD1-NH2 3.07Å; D2395-R2397 IonicContact OD2-CZ 3.36Å; D2395-R2397 IonicContact OD2-NE 3.64Å; D2395-R2397 PolarHBondContact OD2-NE 3.23Å; D2395-R2397 IonicContact OD2-NH2 3.63Å; D2395-R2397 PolarHBondContact OD2-NH2 3.25Å; D2395-I2398 HydrophobicContact CB-CB 4.36Å; D2395-I2398 HydrophobicContact CB-CD1 4.01Å; D2395-I2398 HydrophobicContact CB-CG1 4.08Å; D2395-I2398 WeakPolarHBondContact O-CB 3.15Å; D2395-I2398 PolarHBondContact O-N 3.03Å; D2395-L2399 PolarHBondContact O-N 3.37Å | ||
| 2396 | L | 83.2 | Confident | 87.3 | Confident | 50.5 Ų | 50.5 | 25.7 Ų | 25.7 | 26% | 0.264 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -56.8 | -26 | -178.6 | -66.2 | 175.1 | 0 | 0 | 0 | 113.6 | L2399 R2400 I2464 I2535 | L2396-L2399 HydrophobicContact CD2-CD2 4.15Å; L2396-L2399 PolarHBondContact O-N 2.85Å; L2396-R2400 WeakPolarHBondContact O-CB 3.35Å; L2396-R2400 PolarHBondContact O-N 3.2Å; L2396-I2464 HydrophobicContact CD1-CD1 3.93Å; L2396-I2535 HydrophobicContact CB-CD1 4.31Å; L2396-I2535 HydrophobicContact CD2-CD1 3.93Å |
| 2397 | R | 85.9 | Confident | 87.7 | Confident | 86 Ų | 86 | 24 Ų | 24 | 33% | 0.325 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -69.8 | -42.8 | 177.9 | -56.7 | 174.7 | -64.8 | 151.4 | 4.9 | 110.6 | S2352 D2353 I2356 D2395 T2401 | S2352-R2397 PolarHBondContact OG-NH2 3.31Å; D2353-R2397 IonicContact OD1-CZ 2.63Å; D2353-R2397 IonicContact OD1-NH1 2.9Å; D2353-R2397 PolarHBondContact OD1-NH1 2.99Å; I2356-R2397 HydrophobicContact CD1-CB 3.57Å; D2395-R2397 PolarHBondContact O-N 3.05Å; D2395-R2397 VanDerWaalsContact OD1-CB 3.29Å; D2395-R2397 WeakPolarHBondContact OD1-CB 3.45Å; D2395-R2397 WeakPolarHBondContact OD1-CG 3.35Å; D2395-R2397 IonicContact OD1-CZ 3.08Å; D2395-R2397 PolarHBondContact OD1-N 3.01Å; D2395-R2397 IonicContact OD1-NE 2.86Å; D2395-R2397 PolarHBondContact OD1-NE 3.06Å; D2395-R2397 VanDerWaalsContact OD1-NE 3.13Å; D2395-R2397 IonicContact OD1-NH2 3.07Å; D2395-R2397 IonicContact OD2-CZ 3.36Å; D2395-R2397 IonicContact OD2-NE 3.64Å; D2395-R2397 PolarHBondContact OD2-NE 3.23Å; D2395-R2397 IonicContact OD2-NH2 3.63Å; D2395-R2397 PolarHBondContact OD2-NH2 3.25Å; R2397-T2401 PolarHBondContact O-N 2.86Å; R2397-T2401 PolarHBondContact O-OG1 2.74Å |
| 2398 | I | 88.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 173.6 | -59.4 | 178.7 | 0 | 0 | 0 | 108.8 | M2303 I2356 I2359 I2388 A2392 D2395 R2400 T2401 T2402 | M2303-I2398 HydrophobicContact CE-CD1 3.7Å; M2303-I2398 HydrophobicContact SD-CD1 4.22Å; I2356-I2398 HydrophobicContact CD1-CG1 4.27Å; I2356-I2398 HydrophobicContact CG1-CG1 4.1Å; I2359-I2398 HydrophobicContact CD1-CG2 4.37Å; I2388-I2398 HydrophobicContact CG2-CG2 4.26Å; A2392-I2398 HydrophobicContact CB-CB 4.47Å; A2392-I2398 HydrophobicContact CB-CG2 3.9Å; D2395-I2398 HydrophobicContact CB-CB 4.36Å; D2395-I2398 HydrophobicContact CB-CD1 4.01Å; D2395-I2398 HydrophobicContact CB-CG1 4.08Å; D2395-I2398 WeakPolarHBondContact O-CB 3.15Å; D2395-I2398 PolarHBondContact O-N 3.03Å; I2398-R2400 VanDerWaalsContact C-N 3.3Å; I2398-R2400 PolarHBondContact O-N 3.22Å; I2398-T2401 PolarHBondContact O-N 3.16Å; I2398-T2401 PolarHBondContact O-OG1 3.43Å; I2398-T2402 VanDerWaalsContact O-CB 3.26Å; I2398-T2402 WeakPolarHBondContact O-CB 3.21Å; I2398-T2402 PolarHBondContact O-N 3.1Å; I2398-T2402 PolarHBondContact O-OG1 3.18Å |
| 2399 | L | 89.4 | Confident | 88.4 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.3 | -48.3 | 178.1 | -174.3 | 61.8 | 0 | 0 | 0 | 112.9 | W2389 A2392 D2395 L2396 T2401 T2402 L2403 L2485 I2535 | W2389-L2399 HydrophobicContact CE3-CD1 4.44Å; W2389-L2399 HydrophobicContact CH2-CD1 3.76Å; W2389-L2399 HydrophobicContact CZ2-CD1 4.18Å; W2389-L2399 HydrophobicContact CZ3-CD1 3.9Å; A2392-L2399 HydrophobicContact CB-CB 4.32Å; A2392-L2399 HydrophobicContact CB-CD1 4.22Å; A2392-L2399 WeakPolarHBondContact O-CB 3.45Å; D2395-L2399 PolarHBondContact O-N 3.37Å; L2396-L2399 HydrophobicContact CD2-CD2 4.15Å; L2396-L2399 PolarHBondContact O-N 2.85Å; L2399-T2401 PolarHBondContact O-N 3.42Å; L2399-T2402 PolarHBondContact O-N 2.73Å; L2399-L2403 HydrophobicContact CD1-CD1 4.09Å; L2399-L2403 HydrophobicContact CD1-CG 4.21Å; L2399-L2403 HydrophobicContact CG-CD1 3.88Å; L2399-L2403 HydrophobicContact CG-CG 4.42Å; L2399-L2403 VanDerWaalsContact O-CB 3.29Å; L2399-L2403 WeakPolarHBondContact O-CB 3.43Å; L2399-L2403 VanDerWaalsContact O-CG 3.3Å; L2399-L2403 WeakPolarHBondContact O-CG 3.35Å; L2399-L2403 PolarHBondContact O-N 2.88Å; L2399-L2485 HydrophobicContact CD1-CD1 4.47Å; L2399-L2485 HydrophobicContact CD2-CD1 4.41Å; L2399-I2535 HydrophobicContact CD2-CG2 4.34Å |
| 2400 | R | 89.2 | Confident | 88.5 | Confident | 99 Ų | 99 | 23.3 Ų | 23.3 | 37% | 0.374 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 179.6 | -178.2 | 178 | 178 | -116 | 7.6 | 111.7 | L2396 I2398 G2404 D2534 I2535 L2538 | L2396-R2400 WeakPolarHBondContact O-CB 3.35Å; L2396-R2400 PolarHBondContact O-N 3.2Å; I2398-R2400 VanDerWaalsContact C-N 3.3Å; I2398-R2400 PolarHBondContact O-N 3.22Å; R2400-G2404 PolarHBondContact O-N 3.35Å; R2400-D2534 IonicContact CZ-OD2 2.77Å; R2400-D2534 IonicContact NE-OD2 3.5Å; R2400-D2534 PolarHBondContact NE-OD2 3.37Å; R2400-D2534 IonicContact NH2-OD2 3.21Å; R2400-D2534 PolarHBondContact NH2-OD2 2.92Å; R2400-I2535 HydrophobicContact CB-CG1 4.36Å; R2400-L2538 HydrophobicContact CG-CD1 3.99Å; R2400-L2538 WeakPolarHBondContact O-CD1 3.46Å |
| 2401 | T | 91.4 | Very high | 88.9 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 9% | 0.086 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.1 | -39.2 | -179.4 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | I2356 I2359 E2360 R2397 I2398 L2399 G2404 L2405 | I2356-T2401 HydrophobicContact CG2-CG2 4.1Å; I2359-T2401 WeakPolarHBondContact CG2-O 3.39Å; E2360-T2401 HydrophobicContact CG-CG2 3.87Å; R2397-T2401 PolarHBondContact O-N 2.86Å; R2397-T2401 PolarHBondContact O-OG1 2.74Å; I2398-T2401 PolarHBondContact O-N 3.16Å; I2398-T2401 PolarHBondContact O-OG1 3.43Å; L2399-T2401 PolarHBondContact O-N 3.42Å; T2401-G2404 PolarHBondContact O-N 2.81Å; T2401-L2405 PolarHBondContact O-N 3.34Å |
| 2402 | T | 93.2 | Very high | 89 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 175.4 | -52 | 0 | 0 | 0 | 0 | 111.3 | I2385 W2389 I2398 L2399 G2404 L2405 L2406 | I2385-T2402 HydrophobicContact CB-CG2 4.5Å; I2385-T2402 HydrophobicContact CG1-CG2 4.43Å; I2385-T2402 HydrophobicContact CG2-CG2 3.48Å; I2385-T2402 VanDerWaalsContact CG2-CG2 3.48Å; W2389-T2402 HydrophobicContact CE3-CG2 4.37Å; W2389-T2402 HydrophobicContact CZ3-CG2 4.44Å; I2398-T2402 VanDerWaalsContact O-CB 3.26Å; I2398-T2402 WeakPolarHBondContact O-CB 3.21Å; I2398-T2402 PolarHBondContact O-N 3.1Å; I2398-T2402 PolarHBondContact O-OG1 3.18Å; L2399-T2402 PolarHBondContact O-N 2.73Å; T2402-G2404 VanDerWaalsContact C-N 3.35Å; T2402-L2405 PolarHBondContact O-N 3.11Å; T2402-L2406 HydrophobicContact CG2-CD1 4.49Å; T2402-L2406 WeakPolarHBondContact O-CG 3.05Å; T2402-L2406 PolarHBondContact O-N 2.87Å |
| 2403 | L | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.3 | -79.3 | 171 | 0 | 0 | 0 | 111.7 | W2389 L2399 L2405 L2406 T2407 L2482 I2535 L2538 I2539 L2542 | W2389-L2403 HydrophobicContact CH2-CD2 3.79Å; W2389-L2403 HydrophobicContact CH2-CG 4.26Å; W2389-L2403 HydrophobicContact CZ3-CD2 4.19Å; W2389-L2403 HydrophobicContact CZ3-CG 4.41Å; L2399-L2403 HydrophobicContact CD1-CD1 4.09Å; L2399-L2403 HydrophobicContact CD1-CG 4.21Å; L2399-L2403 HydrophobicContact CG-CD1 3.88Å; L2399-L2403 HydrophobicContact CG-CG 4.42Å; L2399-L2403 VanDerWaalsContact O-CB 3.29Å; L2399-L2403 WeakPolarHBondContact O-CB 3.43Å; L2399-L2403 VanDerWaalsContact O-CG 3.3Å; L2399-L2403 WeakPolarHBondContact O-CG 3.35Å; L2399-L2403 PolarHBondContact O-N 2.88Å; L2403-L2405 PolarHBondContact O-N 3.44Å; L2403-L2406 PolarHBondContact O-N 3.15Å; L2403-T2407 PolarHBondContact O-N 2.85Å; L2403-T2407 PolarHBondContact O-OG1 3.35Å; L2403-L2482 HydrophobicContact CD2-CD1 4.17Å; L2403-I2535 HydrophobicContact CD1-CG2 3.99Å; L2403-L2538 HydrophobicContact CB-CB 3.92Å; L2403-L2538 HydrophobicContact CB-CD1 4.1Å; L2403-L2538 HydrophobicContact CD1-CB 4.37Å; L2403-I2539 HydrophobicContact CD1-CD1 4.4Å; L2403-I2539 HydrophobicContact CD1-CG1 3.79Å; L2403-I2539 HydrophobicContact CD2-CG1 4.08Å; L2403-L2542 HydrophobicContact CD2-CD2 3.96Å |
| 2404 | G | 93.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 7% | 0.072 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | H2363 R2400 T2401 T2402 L2406 T2407 N2408 | H2363-G2404 VanDerWaalsContact CD2-C 3.46Å; H2363-G2404 PolarHBondContact CD2-O 3.4Å; R2400-G2404 PolarHBondContact O-N 3.35Å; T2401-G2404 PolarHBondContact O-N 2.81Å; T2402-G2404 VanDerWaalsContact C-N 3.35Å; G2404-L2406 PolarHBondContact O-N 2.82Å; G2404-T2407 VanDerWaalsContact C-OG1 3.28Å; G2404-T2407 VanDerWaalsContact CA-OG1 3.31Å; G2404-T2407 WeakPolarHBondContact CA-OG1 3.42Å; G2404-T2407 PolarHBondContact O-N 3.36Å; G2404-T2407 PolarHBondContact O-OG1 3.27Å; G2404-N2408 PolarHBondContact O-N 2.96Å |
| 2405 | L | 94.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 177.4 | 174.2 | 60 | 0 | 0 | 0 | 111 | I2359 L2362 H2363 I2381 I2385 T2401 T2402 L2403 T2407 N2408 I2409 | I2359-L2405 HydrophobicContact CG2-CB 4.05Å; I2359-L2405 HydrophobicContact CG2-CD2 4.04Å; L2362-L2405 HydrophobicContact CB-CD1 4.12Å; L2362-L2405 HydrophobicContact CB-CD2 4.26Å; H2363-L2405 HydrophobicContact CB-CB 4.37Å; H2363-L2405 HydrophobicContact CB-CD1 4.29Å; I2381-L2405 HydrophobicContact CD1-CD2 4.49Å; I2385-L2405 HydrophobicContact CD1-CD2 3.71Å; I2385-L2405 HydrophobicContact CD1-CG 4.09Å; I2385-L2405 HydrophobicContact CG1-CD2 4.45Å; T2401-L2405 PolarHBondContact O-N 3.34Å; T2402-L2405 PolarHBondContact O-N 3.11Å; L2403-L2405 PolarHBondContact O-N 3.44Å; L2405-T2407 PolarHBondContact O-N 2.99Å; L2405-N2408 PolarHBondContact O-N 3.02Å; L2405-N2408 VanDerWaalsContact O-N 3.15Å; L2405-I2409 HydrophobicContact CD1-CD1 3.74Å; L2405-I2409 HydrophobicContact CD1-CG1 4.09Å; L2405-I2409 HydrophobicContact CD2-CD1 4.4Å; L2405-I2409 HydrophobicContact CG-CD1 3.7Å; L2405-I2409 HydrophobicContact CG-CG1 4.44Å; L2405-I2409 WeakPolarHBondContact O-CG1 3.31Å; L2405-I2409 PolarHBondContact O-N 3.1Å |
| 2406 | L | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 177.2 | -73.6 | 173.2 | 0 | 0 | 0 | 112.8 | I2385 W2389 T2402 L2403 G2404 N2408 I2409 T2410 L2420 F2478 L2542 | I2385-L2406 HydrophobicContact CD1-CD2 3.72Å; I2385-L2406 HydrophobicContact CD1-CG 4.1Å; I2385-L2406 HydrophobicContact CG2-CD1 3.88Å; I2385-L2406 HydrophobicContact CG2-CD2 3.96Å; I2385-L2406 HydrophobicContact CG2-CG 4.05Å; W2389-L2406 HydrophobicContact CZ3-CD1 4.22Å; T2402-L2406 HydrophobicContact CG2-CD1 4.49Å; T2402-L2406 WeakPolarHBondContact O-CG 3.05Å; T2402-L2406 PolarHBondContact O-N 2.87Å; L2403-L2406 PolarHBondContact O-N 3.15Å; G2404-L2406 PolarHBondContact O-N 2.82Å; L2406-N2408 VanDerWaalsContact C-N 3.31Å; L2406-N2408 PolarHBondContact O-N 3.13Å; L2406-I2409 PolarHBondContact O-N 3.37Å; L2406-T2410 WeakPolarHBondContact O-CB 3.38Å; L2406-T2410 WeakPolarHBondContact O-CG2 3.35Å; L2406-T2410 PolarHBondContact O-N 3.43Å; L2406-T2410 PolarHBondContact O-OG1 3.07Å; L2406-L2420 HydrophobicContact CD2-CD1 4.15Å; L2406-L2420 HydrophobicContact CD2-CD2 4.03Å; L2406-F2478 HydrophobicContact CD1-CE1 4.42Å; L2406-F2478 HydrophobicContact CD1-CE2 4.45Å; L2406-F2478 HydrophobicContact CD1-CZ 3.63Å; L2406-L2542 HydrophobicContact CB-CD1 3.86Å; L2406-L2542 HydrophobicContact CB-CD2 3.81Å; L2406-L2542 HydrophobicContact CD1-CD2 3.94Å |
| 2407 | T | 93.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 174.1 | 30.6 | 0 | 0 | 0 | 0 | 112.2 | L2403 G2404 L2405 T2410 A2411 Q2541 L2542 N2545 | L2403-T2407 PolarHBondContact O-N 2.85Å; L2403-T2407 PolarHBondContact O-OG1 3.35Å; G2404-T2407 VanDerWaalsContact C-OG1 3.28Å; G2404-T2407 VanDerWaalsContact CA-OG1 3.31Å; G2404-T2407 WeakPolarHBondContact CA-OG1 3.42Å; G2404-T2407 PolarHBondContact O-N 3.36Å; G2404-T2407 PolarHBondContact O-OG1 3.27Å; L2405-T2407 PolarHBondContact O-N 2.99Å; T2407-T2410 PolarHBondContact O-OG1 2.9Å; T2407-A2411 WeakPolarHBondContact O-CB 3.37Å; T2407-A2411 PolarHBondContact O-N 2.87Å; T2407-Q2541 HydrophobicContact CG2-CB 3.8Å; T2407-Q2541 HydrophobicContact CG2-CG 3.73Å; T2407-L2542 HydrophobicContact CG2-CB 3.85Å; T2407-N2545 PolarHBondContact O-ND2 3.22Å |
| 2408 | N | 92.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 26.3 Ų | 26.3 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.1 | -34.9 | 177.6 | -73 | -6.6 | 0 | 0 | 0 | 112.6 | H2363 V2366 R2373 G2404 L2405 L2406 | H2363-N2408 PolarHBondContact CD2-ND2 3.23Å; H2363-N2408 PolarHBondContact CE1-ND2 2.98Å; H2363-N2408 VanDerWaalsContact CE1-ND2 3.29Å; H2363-N2408 PolarHBondContact NE2-ND2 2.78Å; H2363-N2408 PolarHBondContact O-ND2 3.16Å; H2363-N2408 VanDerWaalsContact O-ND2 3.15Å; V2366-N2408 HydrophobicContact CG1-CB 4.49Å; R2373-N2408 PolarHBondContact NE-O 2.93Å; R2373-N2408 VanDerWaalsContact NE-O 3.14Å; G2404-N2408 PolarHBondContact O-N 2.96Å; L2405-N2408 PolarHBondContact O-N 3.02Å; L2405-N2408 VanDerWaalsContact O-N 3.15Å; L2406-N2408 VanDerWaalsContact C-N 3.31Å; L2406-N2408 PolarHBondContact O-N 3.13Å |
| 2409 | I | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.2 | -36.3 | 176.8 | -71.4 | 168.7 | 0 | 0 | 0 | 111.3 | V2366 R2373 I2377 I2381 I2382 I2385 L2405 L2406 A2416 | V2366-I2409 HydrophobicContact CG1-CG1 3.9Å; V2366-I2409 HydrophobicContact CG2-CG1 4.45Å; R2373-I2409 VanDerWaalsContact CD-O 3.27Å; R2373-I2409 WeakPolarHBondContact CD-O 3.32Å; I2377-I2409 HydrophobicContact CD1-CG2 4.45Å; I2377-I2409 HydrophobicContact CG1-CG2 4.14Å; I2381-I2409 HydrophobicContact CG1-CD1 4.12Å; I2381-I2409 HydrophobicContact CG2-CD1 3.84Å; I2382-I2409 HydrophobicContact CD1-CG2 4.43Å; I2385-I2409 HydrophobicContact CD1-CD1 4.15Å; L2405-I2409 HydrophobicContact CD1-CD1 3.74Å; L2405-I2409 HydrophobicContact CD1-CG1 4.09Å; L2405-I2409 HydrophobicContact CD2-CD1 4.4Å; L2405-I2409 HydrophobicContact CG-CD1 3.7Å; L2405-I2409 HydrophobicContact CG-CG1 4.44Å; L2405-I2409 WeakPolarHBondContact O-CG1 3.31Å; L2405-I2409 PolarHBondContact O-N 3.1Å; L2406-I2409 PolarHBondContact O-N 3.37Å; I2409-A2416 HydrophobicContact CG2-CB 3.86Å; I2409-A2416 WeakPolarHBondContact O-CB 3.45Å |
| 2410 | T | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -88.9 | -16.8 | -177.3 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | L2406 T2407 D2412 C2413 A2416 L2420 L2542 N2545 M2546 | L2406-T2410 WeakPolarHBondContact O-CB 3.38Å; L2406-T2410 WeakPolarHBondContact O-CG2 3.35Å; L2406-T2410 PolarHBondContact O-N 3.43Å; L2406-T2410 PolarHBondContact O-OG1 3.07Å; T2407-T2410 PolarHBondContact O-OG1 2.9Å; T2410-D2412 PolarHBondContact O-N 3.24Å; T2410-C2413 PolarHBondContact O-N 3.1Å; T2410-A2416 HydrophobicContact CG2-CB 4.34Å; T2410-L2420 HydrophobicContact CG2-CD1 3.36Å; T2410-L2542 HydrophobicContact CG2-CD1 3.68Å; T2410-L2542 VanDerWaalsContact OG1-CD1 3.27Å; T2410-L2542 WeakPolarHBondContact OG1-CD1 3.41Å; T2410-N2545 WeakPolarHBondContact OG1-CB 3.42Å; T2410-N2545 PolarHBondContact OG1-ND2 2.77Å; T2410-N2545 VanDerWaalsContact OG1-ND2 3.13Å; T2410-M2546 HydrophobicContact CG2-CG 4.1Å |
| 2411 | A | 90.1 | Very high | 89.3 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R2373 T2407 C2413 N2545 | R2373-A2411 PolarHBondContact NH1-O 3.26Å; T2407-A2411 WeakPolarHBondContact O-CB 3.37Å; T2407-A2411 PolarHBondContact O-N 2.87Å; A2411-C2413 PolarHBondContact O-N 3.3Å; A2411-N2545 PolarHBondContact N-ND2 3.2Å |
| 2412 | D | 85.6 | Confident | 88.7 | Confident | 153 Ų | 153 | 28 Ų | 28 | 82% | 0.818 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 25.3 | -179.2 | -55.2 | -37.3 | 0 | 0 | 0 | 115.3 | T2410 | T2410-D2412 PolarHBondContact O-N 3.24Š|
| 2413 | C | 87.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 9% | 0.088 | 18% | 0.179 | C | C | . | . | trans | -132 | 83.6 | -176.4 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | T2410 A2411 Q2415 A2416 S2417 | T2410-C2413 PolarHBondContact O-N 3.1Å; A2411-C2413 PolarHBondContact O-N 3.3Å; C2413-Q2415 PolarHBondContact O-N 3.02Å; C2413-A2416 HydrophobicContact CB-CB 4.08Å; C2413-A2416 WeakPolarHBondContact O-CB 3.38Å; C2413-A2416 PolarHBondContact O-N 2.94Å; C2413-S2417 PolarHBondContact O-N 2.84Å; C2413-S2417 PolarHBondContact O-OG 2.86Å | ||
| 2414 | P | 83.8 | Confident | 86.2 | Confident | 73 Ų | 73 | 33.8 Ų | 33.8 | 47% | 0.474 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -26.5 | 179 | 22.9 | -31.4 | 0 | 0 | 0 | 112.6 | S2417 S2418 | P2414-S2417 WeakPolarHBondContact O-CB 3.38Å; P2414-S2417 PolarHBondContact O-N 3.07Å; P2414-S2418 PolarHBondContact O-N 3.38Å |
| 2415 | Q | 85.9 | Confident | 84.2 | Confident | 101 Ų | 101 | 39 Ų | 39 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.6 | -174 | 172.9 | -10.5 | 0 | 0 | 111.7 | C2413 S2417 S2418 V2419 | C2413-Q2415 PolarHBondContact O-N 3.02Å; Q2415-S2417 VanDerWaalsContact C-N 3.26Å; Q2415-S2417 PolarHBondContact O-N 2.84Å; Q2415-S2418 PolarHBondContact O-N 3.06Å; Q2415-S2418 VanDerWaalsContact O-N 3.15Å; Q2415-S2418 PolarHBondContact O-OG 2.69Å; Q2415-V2419 WeakPolarHBondContact O-CG2 3.45Å; Q2415-V2419 PolarHBondContact O-N 2.94Å |
| 2416 | A | 86.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2377 I2382 I2409 T2410 C2413 S2418 V2419 L2420 | I2377-A2416 HydrophobicContact CD1-CB 3.62Å; I2377-A2416 HydrophobicContact CG1-CB 4.23Å; I2382-A2416 HydrophobicContact CD1-CB 4.37Å; I2409-A2416 HydrophobicContact CG2-CB 3.86Å; I2409-A2416 WeakPolarHBondContact O-CB 3.45Å; T2410-A2416 HydrophobicContact CG2-CB 4.34Å; C2413-A2416 HydrophobicContact CB-CB 4.08Å; C2413-A2416 WeakPolarHBondContact O-CB 3.38Å; C2413-A2416 PolarHBondContact O-N 2.94Å; A2416-S2418 PolarHBondContact O-N 2.96Å; A2416-V2419 PolarHBondContact O-N 3.28Å; A2416-L2420 PolarHBondContact O-N 3.49Å |
| 2417 | S | 87.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 112 | C2413 P2414 Q2415 L2420 V2421 M2546 | C2413-S2417 PolarHBondContact O-N 2.84Å; C2413-S2417 PolarHBondContact O-OG 2.86Å; P2414-S2417 WeakPolarHBondContact O-CB 3.38Å; P2414-S2417 PolarHBondContact O-N 3.07Å; Q2415-S2417 VanDerWaalsContact C-N 3.26Å; Q2415-S2417 PolarHBondContact O-N 2.84Å; S2417-L2420 WeakPolarHBondContact O-CB 3.38Å; S2417-L2420 PolarHBondContact O-N 3.01Å; S2417-V2421 VanDerWaalsContact O-CG2 3.24Å; S2417-V2421 WeakPolarHBondContact O-CG2 3.42Å; S2417-V2421 PolarHBondContact O-N 2.87Å; S2417-V2421 VanDerWaalsContact O-N 3.15Å; S2417-M2546 WeakPolarHBondContact OG-CA 3.35Å |
| 2418 | S | 85.7 | Confident | 76.5 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.6 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | P2414 Q2415 A2416 V2421 N2422 | P2414-S2418 PolarHBondContact O-N 3.38Å; Q2415-S2418 PolarHBondContact O-N 3.06Å; Q2415-S2418 VanDerWaalsContact O-N 3.15Å; Q2415-S2418 PolarHBondContact O-OG 2.69Å; A2416-S2418 PolarHBondContact O-N 2.96Å; S2418-V2421 PolarHBondContact O-N 3.43Å; S2418-N2422 PolarHBondContact O-N 2.82Å |
| 2419 | V | 85.4 | Confident | 73.6 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 177.1 | 176 | 0 | 0 | 0 | 0 | 111.5 | I2377 I2382 Q2415 A2416 V2421 N2422 P2423 | I2377-V2419 HydrophobicContact CG2-CG2 4.4Å; I2382-V2419 HydrophobicContact CB-CG1 4.27Å; I2382-V2419 HydrophobicContact CD1-CB 3.91Å; I2382-V2419 HydrophobicContact CD1-CG1 3.77Å; I2382-V2419 HydrophobicContact CG2-CG1 4.16Å; Q2415-V2419 WeakPolarHBondContact O-CG2 3.45Å; Q2415-V2419 PolarHBondContact O-N 2.94Å; A2416-V2419 PolarHBondContact O-N 3.28Å; V2419-V2421 VanDerWaalsContact C-N 3.33Å; V2419-N2422 CarbonylContact O-C 3.6Å; V2419-P2423 WeakPolarHBondContact O-CA 3.34Å |
| 2420 | L | 85.3 | Confident | 70.4 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 173.5 | -95.3 | 148.6 | 0 | 0 | 0 | 113 | I2382 L2406 T2410 A2416 S2417 F2478 M2546 | I2382-L2420 HydrophobicContact CD1-CD1 4.46Å; I2382-L2420 HydrophobicContact CD1-CG 4.33Å; I2382-L2420 HydrophobicContact CG2-CD2 4.14Å; I2382-L2420 HydrophobicContact CG2-CG 3.81Å; L2406-L2420 HydrophobicContact CD2-CD1 4.15Å; L2406-L2420 HydrophobicContact CD2-CD2 4.03Å; T2410-L2420 HydrophobicContact CG2-CD1 3.36Å; A2416-L2420 PolarHBondContact O-N 3.49Å; S2417-L2420 WeakPolarHBondContact O-CB 3.38Å; S2417-L2420 PolarHBondContact O-N 3.01Å; L2420-F2478 HydrophobicContact CD2-CD1 3.74Å; L2420-F2478 HydrophobicContact CD2-CE1 3.44Å; L2420-F2478 VanDerWaalsContact CD2-CE1 3.44Å; L2420-F2478 HydrophobicContact CD2-CZ 4.03Å; L2420-M2546 HydrophobicContact CB-CE 3.63Å; L2420-M2546 HydrophobicContact CB-SD 4.46Å; L2420-M2546 HydrophobicContact CD1-SD 4.38Å |
| 2421 | V | 82.4 | Confident | 67.4 | Low | 20 Ų | 20 | 70 Ų | 70 | 12% | 0.121 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -74.3 | -46.9 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | S2417 S2418 V2419 P2423 I2479 M2546 E2551 T2552 | S2417-V2421 VanDerWaalsContact O-CG2 3.24Å; S2417-V2421 WeakPolarHBondContact O-CG2 3.42Å; S2417-V2421 PolarHBondContact O-N 2.87Å; S2417-V2421 VanDerWaalsContact O-N 3.15Å; S2418-V2421 PolarHBondContact O-N 3.43Å; V2419-V2421 VanDerWaalsContact C-N 3.33Å; V2421-P2423 WeakPolarHBondContact O-CD 3.37Å; V2421-I2479 HydrophobicContact CB-CD1 3.88Å; V2421-I2479 HydrophobicContact CG1-CD1 3.99Å; V2421-I2479 HydrophobicContact CG2-CD1 3.37Å; V2421-M2546 HydrophobicContact CG2-CE 4Å; V2421-E2551 HydrophobicContact CB-CB 4.16Å; V2421-E2551 HydrophobicContact CG1-CB 3.84Å; V2421-E2551 HydrophobicContact CG2-CB 4.25Å; V2421-T2552 WeakPolarHBondContact CG2-OG1 3.29Å |
| 2422 | N | 79.4 | Confident | 64.4 | Low | 105 Ų | 105 | 78 Ų | 78 | 56% | 0.561 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -123.5 | 76.5 | -176.1 | -66.1 | -31.9 | 0 | 0 | 0 | 109.7 | S2418 V2419 | S2418-N2422 PolarHBondContact O-N 2.82Å; V2419-N2422 CarbonylContact O-C 3.6Å |
| 2423 | P | 69.7 | Low | 61.7 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | trans | -61.6 | 132.3 | 177.8 | 23.3 | -31.8 | 0 | 0 | 0 | 109.2 | I2386 V2419 V2421 S2425 | I2386-P2423 HydrophobicContact CD1-CB 3.88Å; I2386-P2423 HydrophobicContact CD1-CG 4.03Å; V2419-P2423 WeakPolarHBondContact O-CA 3.34Å; V2421-P2423 WeakPolarHBondContact O-CD 3.37Å; P2423-S2425 PolarHBondContact O-N 3.48Å | ||
| 2424 | P | 63.3 | Low | 58.8 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 41% | 0.409 | 46% | 0.461 | S | S | . | . | trans | -60.1 | 134.1 | 178.8 | 24.3 | -32.7 | 0 | 0 | 0 | 109.1 | T2426 | P2424-T2426 PolarHBondContact O-N 3.34Š| ||
| 2425 | S | 52.6 | Low | 55.9 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 19.3 | -169.2 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | P2423 I2427 | P2423-S2425 PolarHBondContact O-N 3.48Å; S2425-I2427 PolarHBondContact O-N 3.42Å |
| 2426 | T | 44.3 | Very low | 53 | Low | 120 Ų | 120 | 89.9 Ų | 89.9 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.3 | -170.3 | 37.9 | 0 | 0 | 0 | 0 | 115.3 | P2424 | P2424-T2426 PolarHBondContact O-N 3.34Š|
| 2427 | I | 41.6 | Very low | 50 | Low | 95 Ų | 95 | 95.7 Ų | 95.7 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | trans | -120.5 | 96 | 165.8 | -53.1 | 176.8 | 0 | 0 | 0 | 107.3 | Q2383 S2425 V2429 | Q2383-I2427 HydrophobicContact CB-CD1 4.09Å; S2425-I2427 PolarHBondContact O-N 3.42Å; I2427-V2429 HydrophobicContact CG2-CG2 3.81Å; I2427-V2429 PolarHBondContact O-N 2.91Å | ||
| 2428 | K | 32.7 | Very low | 47.1 | Very low | 198 Ų | 198 | 102.7 Ų | 102.7 | 86% | 0.861 | 56% | 0.564 | S | S | * | * | trans | -60.8 | 86.1 | 157.7 | -79.4 | -177 | 178.4 | 177.9 | 0 | 106.6 | N2430 | K2428-N2430 PolarHBondContact O-N 2.95Š| ||
| 2429 | V | 31.1 | Very low | 44.2 | Very low | 73 Ų | 73 | 110.5 Ų | 110.5 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | trans | -64.7 | 96.7 | 159.8 | -178.6 | 0 | 0 | 0 | 0 | 104 | I2427 P2431 | I2427-V2429 HydrophobicContact CG2-CG2 3.81Å; I2427-V2429 PolarHBondContact O-N 2.91Å; V2429-P2431 WeakPolarHBondContact O-CD 3.34Å; V2429-P2431 VanDerWaalsContact O-N 3.11Å | ||
| 2430 | N | 25.8 | Very low | 41.3 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 60% | 0.599 | 63% | 0.627 | S | S | * | * | trans | -56.9 | 114.3 | 168.3 | -120.9 | 3.9 | 0 | 0 | 0 | 105.6 | K2428 Y2432 | K2428-N2430 PolarHBondContact O-N 2.95Å; N2430-Y2432 HydrophobicContact CB-CD2 4.32Å; N2430-Y2432 HydrophobicContact CB-CE2 4.39Å; N2430-Y2432 PolarHBondContact O-N 3.05Å | ||
| 2431 | P | 29.1 | Very low | 38.5 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | trans | -70.2 | 99.5 | 163.5 | 30.1 | -24.3 | 0 | 0 | 0 | 103.8 | V2429 I2433 | V2429-P2431 WeakPolarHBondContact O-CD 3.34Å; V2429-P2431 VanDerWaalsContact O-N 3.11Å; P2431-I2433 VanDerWaalsContact C-N 3.33Å; P2431-I2433 PolarHBondContact O-N 2.93Å | ||
| 2432 | Y | 28.1 | Very low | 35.7 | Very low | 191 Ų | 191 | 124.8 Ų | 124.8 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | -58.6 | 104.3 | 169.8 | -93.5 | -87.8 | 0 | 0 | 0 | 107.7 | N2430 I2434 | N2430-Y2432 HydrophobicContact CB-CD2 4.32Å; N2430-Y2432 HydrophobicContact CB-CE2 4.39Å; N2430-Y2432 PolarHBondContact O-N 3.05Å; Y2432-I2434 PolarHBondContact O-N 3.1Å | ||
| 2433 | I | 27.9 | Very low | 33.2 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 29.9 | 90.4 | 141.3 | -51 | 176 | 0 | 0 | 0 | 113.8 | P2431 | P2431-I2433 VanDerWaalsContact C-N 3.33Å; P2431-I2433 PolarHBondContact O-N 2.93Å | ||
| 2434 | I | 26.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 94% | 0.938 | 73% | 0.727 | S | S | * | * | trans | -122.6 | 82.5 | 133.6 | -57 | 177.2 | 0 | 0 | 0 | 105.3 | Y2432 | Y2432-I2434 PolarHBondContact O-N 3.1Š| ||
| 2435 | S | 23.3 | Very low | 29.3 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | trans | -115.2 | 126.2 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 2436 | Q | 24.3 | Very low | 28.1 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | trans | 85.2 | 94.2 | 164.3 | -56.2 | -178.7 | 2.2 | 0 | 0 | 117.3 | ||||
| 2437 | S | 25 | Very low | 27.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -137.4 | 119.2 | 130.6 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2438 | N | 26.5 | Very low | 26.5 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -24.2 | 140.1 | -176.2 | -69.3 | -29.1 | 0 | 0 | 0 | 120.3 | I2440 | N2438-I2440 PolarHBondContact O-N 3.38Š| ||
| 2439 | Q | 24.3 | Very low | 26 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | trans | -52.3 | 113.7 | 148 | -70.4 | 175.4 | -6.4 | 0 | 0 | 109.7 | ||||
| 2440 | I | 25.4 | Very low | 25.9 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -134.8 | 111.2 | 149.3 | -60 | -178.7 | 0 | 0 | 0 | 107.6 | N2438 | N2438-I2440 PolarHBondContact O-N 3.38Š| ||
| 2441 | S | 25 | Very low | 25.9 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -52.6 | 126.5 | 160.6 | 40.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2442 | G | 24.9 | Very low | 25.7 | Very low | 76 Ų | 76 | 144 Ų | 144 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -168.6 | 106.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2443 | S | 25.3 | Very low | 25.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -68.6 | 137.3 | 169.5 | 65 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2444 | S | 26.3 | Very low | 25.4 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -165.8 | 117.5 | 140.7 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | I2446 | S2444-I2446 PolarHBondContact O-N 2.9Š| ||
| 2445 | N | 25.2 | Very low | 25.4 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | trans | -58.6 | 120.2 | 157.2 | -73.4 | -31.6 | 0 | 0 | 0 | 108.7 | ||||
| 2446 | I | 28.2 | Very low | 25.5 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 77% | 0.774 | 81% | 0.814 | S | S | * | * | trans | -133 | 109.1 | 157.5 | -62.1 | -177.7 | 0 | 0 | 0 | 108.1 | S2444 | S2444-I2446 PolarHBondContact O-N 2.9Š| ||
| 2447 | Q | 24.2 | Very low | 25.5 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 115.3 | 167.8 | -168.3 | 138.5 | -3.3 | 0 | 0 | 107.9 | ||||
| 2448 | G | 26.9 | Very low | 25.6 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | -129.4 | 104.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2449 | N | 24 | Very low | 25.6 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -65.2 | 133.8 | 170 | -75.4 | -27.5 | 0 | 0 | 0 | 110.5 | ||||
| 2450 | I | 28.8 | Very low | 25.7 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -131.9 | 139.1 | 165.8 | -66.7 | 178.8 | 0 | 0 | 0 | 107.8 | ||||
| 2451 | P | 26 | Very low | 25.9 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -86.4 | 155.4 | -157.5 | 33 | -28.3 | 0 | 0 | 0 | 113.1 | ||||
| 2452 | K | 23.5 | Very low | 26.2 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -69.2 | 121.9 | 169.8 | -65.4 | 174.3 | 178 | 177.2 | 0 | 109.2 | ||||
| 2453 | T | 26.1 | Very low | 26.8 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -126.5 | 117.2 | 158.8 | 49.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 2454 | D | 23.6 | Very low | 27.3 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -66.9 | 124.9 | 173.7 | -64 | -51 | 0 | 0 | 0 | 109.7 | ||||
| 2455 | D | 26.3 | Very low | 27.4 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -154.2 | 95.5 | 158.5 | -96.6 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 2456 | V | 25.4 | Very low | 27.6 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | trans | 32.2 | 105.8 | 130.4 | -172 | 0 | 0 | 0 | 0 | 119 | ||||
| 2457 | H | 25.4 | Very low | 27.6 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | trans | 40.9 | 95.2 | 141.1 | -67 | -75.6 | 0 | 0 | 0 | 120 | ||||
| 2458 | K | 26.4 | Very low | 27.7 | Very low | 192 Ų | 192 | 123 Ų | 123 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | trans | -132.1 | 121.6 | 141 | -99.3 | 178.2 | -178.5 | 172.5 | 0 | 110.8 | T2460 | K2458-T2460 PolarHBondContact O-N 3.35Å; K2458-T2460 VanDerWaalsContact O-N 3.12Å | ||
| 2459 | I | 26.6 | Very low | 27.7 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 87% | 0.867 | 69% | 0.69 | S | S | * | * | trans | -70.3 | 98.6 | 179.1 | -61.7 | 164.1 | 0 | 0 | 0 | 107.9 | ||||
| 2460 | T | 27.3 | Very low | 28 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | -125.3 | 119.9 | 161.3 | 44.3 | 0 | 0 | 0 | 0 | 107.5 | K2458 | K2458-T2460 PolarHBondContact O-N 3.35Å; K2458-T2460 VanDerWaalsContact O-N 3.12Å | ||
| 2461 | A | 28 | Very low | 28 | Very low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 68% | 0.676 | S | S | * | * | trans | -49.2 | 139.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I2463 | A2461-I2463 PolarHBondContact O-N 3.48Š| ||
| 2462 | P | 32.7 | Very low | 28.4 | Very low | 98 Ų | 98 | 119.2 Ų | 119.2 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | trans | -73.8 | 100.3 | -176.5 | 30.9 | -30.4 | 0 | 0 | 0 | 107.9 | I2464 | P2462-I2464 PolarHBondContact O-N 3.26Å; P2462-I2464 VanDerWaalsContact O-N 3.12Å | ||
| 2463 | I | 36 | Very low | 28.9 | Very low | 45 Ų | 45 | 114.2 Ų | 114.2 | 23% | 0.231 | 66% | 0.655 | C | S | . | * | trans | -66.4 | 107.1 | 160.2 | -59.6 | 173.3 | 0 | 0 | 0 | 105 | V2345 L2349 A2461 L2465 | V2345-I2463 HydrophobicContact CG1-CD1 3.84Å; L2349-I2463 HydrophobicContact CD1-CD1 4.33Å; L2349-I2463 HydrophobicContact CD2-CD1 3.76Å; L2349-I2463 HydrophobicContact CD2-CG1 4.32Å; L2349-I2463 HydrophobicContact CG-CD1 3.93Å; A2461-I2463 PolarHBondContact O-N 3.48Å; I2463-L2465 HydrophobicContact CG2-CD1 3.79Å; I2463-L2465 HydrophobicContact CG2-CG 4.04Å; I2463-L2465 PolarHBondContact O-N 2.98Å | ||
| 2464 | I | 35.6 | Very low | 29.5 | Very low | 62 Ų | 62 | 114.9 Ų | 114.9 | 32% | 0.318 | 65% | 0.652 | S | S | . | * | trans | -73.4 | 80.2 | 170.5 | -59.1 | 175.6 | 0 | 0 | 0 | 106.7 | L2396 P2462 F2466 | L2396-I2464 HydrophobicContact CD1-CD1 3.93Å; P2462-I2464 PolarHBondContact O-N 3.26Å; P2462-I2464 VanDerWaalsContact O-N 3.12Å; I2464-F2466 HydrophobicContact CG2-CD2 4.33Å; I2464-F2466 HydrophobicContact CG2-CE2 4.28Å; I2464-F2466 PolarHBondContact O-N 3.12Å | ||
| 2465 | L | 30.4 | Very low | 30.3 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | trans | -71.3 | 106.1 | 165.2 | -100 | 136.6 | 0 | 0 | 0 | 107.2 | I2463 N2467 | I2463-L2465 HydrophobicContact CG2-CD1 3.79Å; I2463-L2465 HydrophobicContact CG2-CG 4.04Å; I2463-L2465 PolarHBondContact O-N 2.98Å; L2465-N2467 PolarHBondContact O-N 3.07Å | ||
| 2466 | F | 28.8 | Very low | 31.6 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 44% | 0.443 | 63% | 0.626 | S | S | . | * | trans | -60.3 | 120.4 | 169.8 | -90.1 | -88.5 | 0 | 0 | 0 | 109.1 | L2393 I2464 A2468 F2515 | L2393-F2466 WeakPolarHBondContact O-CD2 3.2Å; I2464-F2466 HydrophobicContact CG2-CD2 4.33Å; I2464-F2466 HydrophobicContact CG2-CE2 4.28Å; I2464-F2466 PolarHBondContact O-N 3.12Å; F2466-A2468 PolarHBondContact O-N 3.36Å; F2466-A2468 VanDerWaalsContact O-N 3.14Å; F2466-F2515 HydrophobicContact CE1-CE1 4.3Å; F2466-F2515 HydrophobicContact CE1-CZ 4.35Å; F2466-F2515 HydrophobicContact CZ-CE1 4.22Å | ||
| 2467 | N | 27.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 105.8 Ų | 105.8 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | trans | -60.9 | 117.2 | 166.7 | -92.4 | -11.2 | 0 | 0 | 0 | 108.3 | L2465 S2469 | L2465-N2467 PolarHBondContact O-N 3.07Å; N2467-S2469 PolarHBondContact O-N 3.36Å | ||
| 2468 | A | 27.1 | Very low | 36.4 | Very low | 95 Ų | 95 | 100 Ų | 100 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 34.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | F2466 | F2466-A2468 PolarHBondContact O-N 3.36Å; F2466-A2468 VanDerWaalsContact O-N 3.14Å |
| 2469 | S | 27.4 | Very low | 38.9 | Very low | 97 Ų | 97 | 91 Ų | 91 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -1.8 | 177.2 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | N2467 | N2467-S2469 PolarHBondContact O-N 3.36Š|
| 2470 | N | 28.6 | Very low | 41.5 | Very low | 115 Ų | 115 | 85.3 Ų | 85.3 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -98.7 | 100.8 | 162.6 | -71.1 | -9.1 | 0 | 0 | 0 | 107.3 | V2472 | N2470-V2472 PolarHBondContact O-N 3Š|
| 2471 | S | 29.3 | Very low | 44.2 | Very low | 111 Ų | 111 | 81 Ų | 81 | 78% | 0.776 | 48% | 0.484 | S | S | * | . | trans | -53.7 | 86.4 | 165.4 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | T2473 | S2471-T2473 PolarHBondContact O-N 2.77Š| ||
| 2472 | V | 34.2 | Very low | 46.9 | Very low | 91 Ų | 91 | 77 Ų | 77 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | trans | -68.7 | 100.2 | 156.4 | 179.5 | 0 | 0 | 0 | 0 | 103.3 | N2470 I2474 S2476 | N2470-V2472 PolarHBondContact O-N 3Å; V2472-I2474 PolarHBondContact O-N 3.3Å; V2472-I2474 VanDerWaalsContact O-N 3.08Å; V2472-S2476 WeakPolarHBondContact CG1-OG 3.35Å | ||
| 2473 | T | 34.1 | Very low | 49.2 | Very low | 97 Ų | 97 | 72.7 Ų | 72.7 | 60% | 0.595 | 42% | 0.423 | S | S | * | . | trans | -40.2 | 120.1 | 170 | 46 | 0 | 0 | 0 | 0 | 108.2 | S2471 N2475 S2476 | S2471-T2473 PolarHBondContact O-N 2.77Å; T2473-N2475 PolarHBondContact O-N 3.39Å; T2473-S2476 PolarHBondContact O-N 3.01Å | ||
| 2474 | I | 40.1 | Very low | 51.4 | Low | 143 Ų | 143 | 75 Ų | 75 | 73% | 0.733 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -9 | -178.8 | -66.6 | 164.9 | 0 | 0 | 0 | 112.3 | V2472 | V2472-I2474 PolarHBondContact O-N 3.3Å; V2472-I2474 VanDerWaalsContact O-N 3.08Å |
| 2475 | N | 39.9 | Very low | 53.6 | Low | 157 Ų | 157 | 74.3 Ų | 74.3 | 84% | 0.84 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2 | 178.8 | -66.4 | -2.4 | 0 | 0 | 0 | 115.8 | T2473 | T2473-N2475 PolarHBondContact O-N 3.39Š|
| 2476 | S | 52.9 | Low | 55.9 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -78.3 | 126.5 | 174.3 | 68.4 | 0 | 0 | 0 | 0 | 110.5 | V2472 T2473 | V2472-S2476 WeakPolarHBondContact CG1-OG 3.35Å; T2473-S2476 PolarHBondContact O-N 3.01Å |
| 2477 | S | 70.5 | Confident | 57.9 | Low | 44 Ų | 44 | 66.3 Ų | 66.3 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | trans | -55.9 | 151.6 | 178.8 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | I2479 Q2480 S2481 F2555 | S2477-I2479 PolarHBondContact O-N 3.36Å; S2477-I2479 VanDerWaalsContact O-N 3.13Å; S2477-Q2480 WeakPolarHBondContact O-CA 3.35Å; S2477-Q2480 WeakPolarHBondContact O-CB 3.44Å; S2477-Q2480 PolarHBondContact O-N 3.45Å; S2477-Q2480 PolarHBondContact OG-N 2.91Å; S2477-S2481 PolarHBondContact O-N 3.39Å; S2477-S2481 VanDerWaalsContact O-N 3.1Å; S2477-F2555 WeakPolarHBondContact OG-CE2 3.34Å; S2477-F2555 WeakPolarHBondContact OG-CZ 3.41Å | ||
| 2478 | F | 81.7 | Confident | 59.8 | Low | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.088 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -47.8 | -42.5 | 176.2 | 173.7 | -92.7 | 0 | 0 | 0 | 112.1 | I2386 W2389 L2406 L2420 Q2480 S2481 L2482 | I2386-F2478 HydrophobicContact CG1-CD2 4.03Å; I2386-F2478 HydrophobicContact CG1-CG 4.36Å; W2389-F2478 HydrophobicContact CB-CE2 4.37Å; W2389-F2478 HydrophobicContact CD2-CD2 4.06Å; W2389-F2478 AromaticContact CD2-CE2 3.39Å; W2389-F2478 HydrophobicContact CD2-CE2 3.39Å; W2389-F2478 HydrophobicContact CD2-CZ 4.22Å; W2389-F2478 AromaticContact CE2-CE2 3.76Å; W2389-F2478 HydrophobicContact CE3-CD2 4.49Å; W2389-F2478 AromaticContact CE3-CE2 3.44Å; W2389-F2478 HydrophobicContact CE3-CE2 3.44Å; W2389-F2478 VanDerWaalsContact CE3-CE2 3.44Å; W2389-F2478 AromaticContact CE3-CZ 3.98Å; W2389-F2478 HydrophobicContact CE3-CZ 3.98Å; W2389-F2478 HydrophobicContact CG-CD2 4.06Å; W2389-F2478 AromaticContact CG-CE2 3.84Å; W2389-F2478 HydrophobicContact CG-CE2 3.84Å; W2389-F2478 HydrophobicContact CH2-CE2 4.14Å; W2389-F2478 HydrophobicContact CH2-CZ 4Å; W2389-F2478 HydrophobicContact CZ2-CE2 4.13Å; W2389-F2478 HydrophobicContact CZ2-CZ 4.26Å; W2389-F2478 AromaticContact CZ3-CE2 3.82Å; W2389-F2478 HydrophobicContact CZ3-CE2 3.82Å; W2389-F2478 AromaticContact CZ3-CZ 3.86Å; W2389-F2478 HydrophobicContact CZ3-CZ 3.86Å; L2406-F2478 HydrophobicContact CD1-CE1 4.42Å; L2406-F2478 HydrophobicContact CD1-CE2 4.45Å; L2406-F2478 HydrophobicContact CD1-CZ 3.63Å; L2420-F2478 HydrophobicContact CD2-CD1 3.74Å; L2420-F2478 HydrophobicContact CD2-CE1 3.44Å; L2420-F2478 VanDerWaalsContact CD2-CE1 3.44Å; L2420-F2478 HydrophobicContact CD2-CZ 4.03Å; F2478-Q2480 VanDerWaalsContact C-N 3.35Å; F2478-Q2480 PolarHBondContact O-N 2.9Å; F2478-S2481 WeakPolarHBondContact O-CB 3.39Å; F2478-S2481 PolarHBondContact O-N 3.47Å; F2478-L2482 HydrophobicContact CE1-CD1 3.74Å; F2478-L2482 HydrophobicContact CZ-CD1 3.91Å; F2478-L2482 PolarHBondContact O-N 3.42Å |
| 2479 | I | 79.3 | Confident | 61.3 | Low | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.015 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 178.9 | -58 | -179.6 | 0 | 0 | 0 | 111.5 | V2421 S2477 S2481 L2482 C2483 M2546 F2555 | V2421-I2479 HydrophobicContact CB-CD1 3.88Å; V2421-I2479 HydrophobicContact CG1-CD1 3.99Å; V2421-I2479 HydrophobicContact CG2-CD1 3.37Å; S2477-I2479 PolarHBondContact O-N 3.36Å; S2477-I2479 VanDerWaalsContact O-N 3.13Å; I2479-S2481 VanDerWaalsContact C-N 3.33Å; I2479-L2482 WeakPolarHBondContact O-CB 3.43Å; I2479-L2482 PolarHBondContact O-N 2.86Å; I2479-C2483 VanDerWaalsContact O-CB 3.28Å; I2479-C2483 WeakPolarHBondContact O-CB 3.36Å; I2479-C2483 PolarHBondContact O-N 3.46Å; I2479-C2483 PolarHBondContact O-SG 2.89Å; I2479-M2546 HydrophobicContact CD1-CE 3.62Å; I2479-M2546 HydrophobicContact CG1-CE 3.99Å; I2479-F2555 HydrophobicContact CB-CD1 3.79Å; I2479-F2555 HydrophobicContact CB-CE1 3.7Å; I2479-F2555 HydrophobicContact CB-CG 4.49Å; I2479-F2555 HydrophobicContact CB-CZ 4.35Å; I2479-F2555 HydrophobicContact CD1-CD1 4.43Å; I2479-F2555 HydrophobicContact CD1-CG 4.44Å; I2479-F2555 HydrophobicContact CG2-CD1 3.34Å; I2479-F2555 HydrophobicContact CG2-CE1 3.54Å; I2479-F2555 HydrophobicContact CG2-CG 4.3Å |
| 2480 | Q | 81.5 | Confident | 62.6 | Low | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.3 | -170.8 | 60.8 | 51.2 | 0 | 0 | 111.3 | S2477 F2478 L2482 C2483 N2484 F2555 | S2477-Q2480 WeakPolarHBondContact O-CA 3.35Å; S2477-Q2480 WeakPolarHBondContact O-CB 3.44Å; S2477-Q2480 PolarHBondContact O-N 3.45Å; S2477-Q2480 PolarHBondContact OG-N 2.91Å; F2478-Q2480 VanDerWaalsContact C-N 3.35Å; F2478-Q2480 PolarHBondContact O-N 2.9Å; Q2480-L2482 VanDerWaalsContact C-N 3.31Å; Q2480-L2482 PolarHBondContact O-N 3.07Å; Q2480-C2483 WeakPolarHBondContact O-CB 3.43Å; Q2480-C2483 PolarHBondContact O-N 3.47Å; Q2480-N2484 PolarHBondContact NE2-OD1 3.19Å; Q2480-N2484 WeakPolarHBondContact O-CB 3.31Å; Q2480-N2484 PolarHBondContact O-N 3.38Å; Q2480-N2484 PolarHBondContact O-ND2 3.09Å; Q2480-N2484 PolarHBondContact O-OD1 2.92Å; Q2480-N2484 VanDerWaalsContact O-OD1 3.14Å; Q2480-F2555 HydrophobicContact CB-CE1 4.48Å; Q2480-F2555 HydrophobicContact CB-CZ 4.18Å |
| 2481 | S | 82.1 | Confident | 64.1 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | W2389 S2477 F2478 I2479 N2484 L2485 | W2389-S2481 PolarHBondContact NE1-OG 2.83Å; S2477-S2481 PolarHBondContact O-N 3.39Å; S2477-S2481 VanDerWaalsContact O-N 3.1Å; F2478-S2481 WeakPolarHBondContact O-CB 3.39Å; F2478-S2481 PolarHBondContact O-N 3.47Å; I2479-S2481 VanDerWaalsContact C-N 3.33Å; S2481-N2484 PolarHBondContact O-N 2.99Å; S2481-L2485 PolarHBondContact O-N 3.36Å |
| 2482 | L | 84.7 | Confident | 65.4 | Low | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.8 | -159.2 | 128.8 | 0 | 0 | 0 | 112.5 | W2389 L2403 F2478 I2479 Q2480 N2484 L2485 I2539 L2542 L2543 | W2389-L2482 HydrophobicContact CH2-CD1 3.91Å; W2389-L2482 HydrophobicContact CZ2-CD1 4.19Å; L2403-L2482 HydrophobicContact CD2-CD1 4.17Å; F2478-L2482 HydrophobicContact CE1-CD1 3.74Å; F2478-L2482 HydrophobicContact CZ-CD1 3.91Å; F2478-L2482 PolarHBondContact O-N 3.42Å; I2479-L2482 WeakPolarHBondContact O-CB 3.43Å; I2479-L2482 PolarHBondContact O-N 2.86Å; Q2480-L2482 VanDerWaalsContact C-N 3.31Å; Q2480-L2482 PolarHBondContact O-N 3.07Å; L2482-N2484 VanDerWaalsContact C-N 3.32Å; L2482-N2484 PolarHBondContact O-N 3.44Å; L2482-L2485 WeakPolarHBondContact O-CB 3.35Å; L2482-L2485 PolarHBondContact O-N 3.29Å; L2482-I2539 HydrophobicContact CD2-CG2 3.81Å; L2482-I2539 HydrophobicContact CG-CG2 4.38Å; L2482-L2542 HydrophobicContact CD1-CD2 3.53Å; L2482-L2543 HydrophobicContact CD2-CD1 4Å; L2482-L2543 HydrophobicContact CD2-CD2 3.6Å; L2482-L2543 HydrophobicContact CD2-CG 3.6Å |
| 2483 | C | 81.7 | Confident | 66.2 | Low | 7 Ų | 7 | 54.2 Ų | 54.2 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 173.6 | -79.6 | 0 | 0 | 0 | 0 | 112.2 | I2479 Q2480 L2485 I2486 I2561 | I2479-C2483 VanDerWaalsContact O-CB 3.28Å; I2479-C2483 WeakPolarHBondContact O-CB 3.36Å; I2479-C2483 PolarHBondContact O-N 3.46Å; I2479-C2483 PolarHBondContact O-SG 2.89Å; Q2480-C2483 WeakPolarHBondContact O-CB 3.43Å; Q2480-C2483 PolarHBondContact O-N 3.47Å; C2483-L2485 PolarHBondContact O-N 3.11Å; C2483-I2486 WeakPolarHBondContact O-CB 3.3Å; C2483-I2486 PolarHBondContact O-N 3.07Å; C2483-I2486 VanDerWaalsContact O-N 3.09Å; C2483-I2561 HydrophobicContact CB-CD1 3.46Å; C2483-I2561 VanDerWaalsContact CB-CD1 3.46Å; C2483-I2561 VanDerWaalsContact SG-CD1 3.5Å |
| 2484 | N | 82.1 | Confident | 66.8 | Low | 94 Ų | 94 | 54.4 Ų | 54.4 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.1 | -16.7 | 179.4 | -66.3 | -10.6 | 0 | 0 | 0 | 113.3 | Q2480 S2481 L2482 I2486 | Q2480-N2484 PolarHBondContact NE2-OD1 3.19Å; Q2480-N2484 WeakPolarHBondContact O-CB 3.31Å; Q2480-N2484 PolarHBondContact O-N 3.38Å; Q2480-N2484 PolarHBondContact O-ND2 3.09Å; Q2480-N2484 PolarHBondContact O-OD1 2.92Å; Q2480-N2484 VanDerWaalsContact O-OD1 3.14Å; S2481-N2484 PolarHBondContact O-N 2.99Å; L2482-N2484 VanDerWaalsContact C-N 3.32Å; L2482-N2484 PolarHBondContact O-N 3.44Å; N2484-I2486 VanDerWaalsContact C-N 3.3Å |
| 2485 | L | 82.3 | Confident | 67.2 | Low | 47 Ų | 47 | 51.8 Ų | 51.8 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.6 | 174.1 | -65.9 | 171.1 | 0 | 0 | 0 | 112.8 | W2389 L2393 L2399 S2481 L2482 C2483 P2487 I2539 | W2389-L2485 HydrophobicContact CH2-CD1 4.44Å; W2389-L2485 HydrophobicContact CZ2-CD1 3.9Å; L2393-L2485 HydrophobicContact CD2-CD1 4.12Å; L2393-L2485 HydrophobicContact CD2-CD2 3.99Å; L2393-L2485 HydrophobicContact CD2-CG 4.47Å; L2399-L2485 HydrophobicContact CD1-CD1 4.47Å; L2399-L2485 HydrophobicContact CD2-CD1 4.41Å; S2481-L2485 PolarHBondContact O-N 3.36Å; L2482-L2485 WeakPolarHBondContact O-CB 3.35Å; L2482-L2485 PolarHBondContact O-N 3.29Å; C2483-L2485 PolarHBondContact O-N 3.11Å; L2485-P2487 WeakPolarHBondContact O-CD 3.49Å; L2485-I2539 HydrophobicContact CB-CD1 3.68Å; L2485-I2539 HydrophobicContact CD1-CD1 4.15Å |
| 2486 | I | 79.5 | Confident | 67.3 | Low | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77 | 123.5 | 174.7 | -55 | -165.7 | 0 | 0 | 0 | 108.5 | C2483 N2484 I2539 F2540 L2543 I2561 W2586 | C2483-I2486 WeakPolarHBondContact O-CB 3.3Å; C2483-I2486 PolarHBondContact O-N 3.07Å; C2483-I2486 VanDerWaalsContact O-N 3.09Å; N2484-I2486 VanDerWaalsContact C-N 3.3Å; I2486-I2539 HydrophobicContact CD1-CG2 4.31Å; I2486-I2539 HydrophobicContact CG1-CG2 4.03Å; I2486-F2540 HydrophobicContact CD1-CE2 4.18Å; I2486-F2540 HydrophobicContact CD1-CZ 4.1Å; I2486-F2540 HydrophobicContact CG2-CE2 4.1Å; I2486-F2540 HydrophobicContact CG2-CZ 4.02Å; I2486-L2543 HydrophobicContact CD1-CD1 3.66Å; I2486-I2561 HydrophobicContact CB-CD1 4.21Å; I2486-I2561 HydrophobicContact CD1-CD1 3.54Å; I2486-I2561 HydrophobicContact CD1-CG1 4.39Å; I2486-I2561 HydrophobicContact CG1-CD1 4.03Å; I2486-W2586 HydrophobicContact CG2-CZ2 4.17Å |
| 2487 | P | 69.6 | Low | 66.5 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 156.6 | -179.1 | -12.7 | 25.5 | 0 | 0 | 0 | 111.9 | L2485 Q2491 F2492 Y2536 | L2485-P2487 WeakPolarHBondContact O-CD 3.49Å; P2487-Q2491 HydrophobicContact CB-CB 4.36Å; P2487-F2492 HydrophobicContact CB-CD1 3.97Å; P2487-F2492 HydrophobicContact CB-CE1 3.35Å; P2487-F2492 HydrophobicContact CB-CE2 4.1Å; P2487-F2492 HydrophobicContact CB-CZ 3.4Å; P2487-F2492 HydrophobicContact CG-CD1 4.25Å; P2487-F2492 HydrophobicContact CG-CE1 3.35Å; P2487-F2492 HydrophobicContact CG-CZ 3.66Å; P2487-F2492 WeakPolarHBondContact O-CE2 3.32Å; P2487-F2492 WeakPolarHBondContact O-CZ 3.5Å; P2487-Y2536 HydrophobicContact CG-CD1 4.24Å; P2487-Y2536 HydrophobicContact CG-CE1 3.43Å; P2487-Y2536 VanDerWaalsContact CG-CE1 3.43Å; P2487-Y2536 HydrophobicContact CG-CE2 4.06Å; P2487-Y2536 VanDerWaalsContact CG-OH 3.31Å; P2487-Y2536 WeakPolarHBondContact CG-OH 3.26Å |
| 2488 | T | 66.6 | Low | 64.8 | Low | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 154.6 | 177.4 | 53.8 | 0 | 0 | 0 | 0 | 111.5 | N2490 Q2491 F2492 | T2488-N2490 VanDerWaalsContact C-N 3.25Å; T2488-N2490 PolarHBondContact O-N 3.02Å; T2488-N2490 VanDerWaalsContact O-N 3.08Å; T2488-Q2491 WeakPolarHBondContact O-CB 3.26Å; T2488-Q2491 PolarHBondContact O-N 3.11Å; T2488-F2492 WeakPolarHBondContact O-CD2 3.07Å; T2488-F2492 WeakPolarHBondContact O-CE2 3.34Å |
| 2489 | Y | 58.3 | Low | 62.7 | Low | 43 Ų | 43 | 61.5 Ų | 61.5 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -45.5 | -45.9 | -174.9 | -174.6 | -101.9 | 0 | 0 | 0 | 114.1 | Q2491 F2492 I2493 E2567 T2572 L2573 | Y2489-Q2491 VanDerWaalsContact C-N 3.3Å; Y2489-Q2491 PolarHBondContact O-N 3.11Å; Y2489-F2492 WeakPolarHBondContact O-CB 3.35Å; Y2489-F2492 PolarHBondContact O-N 2.91Å; Y2489-I2493 HydrophobicContact CD1-CD1 4.37Å; Y2489-I2493 HydrophobicContact CE1-CD1 3.57Å; Y2489-I2493 HydrophobicContact CE2-CD1 4.28Å; Y2489-E2567 WeakPolarHBondContact CB-OE2 3.49Å; Y2489-E2567 HydrophobicContact CD2-CB 4.06Å; Y2489-E2567 WeakPolarHBondContact CD2-O 3.2Å; Y2489-E2567 WeakPolarHBondContact CE2-O 3.25Å; Y2489-E2567 HydrophobicContact CG-CB 3.95Å; Y2489-E2567 VanDerWaalsContact CZ-O 3.28Å; Y2489-T2572 PolarHBondContact OH-OG1 3.46Å; Y2489-L2573 HydrophobicContact CE2-CD2 4.45Å |
| 2490 | N | 55 | Low | 60.2 | Low | 115 Ų | 115 | 70.5 Ų | 70.5 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.5 | -29.1 | -178 | -70.3 | -25.7 | 0 | 0 | 0 | 113.7 | T2488 F2492 L2494 | T2488-N2490 VanDerWaalsContact C-N 3.25Å; T2488-N2490 PolarHBondContact O-N 3.02Å; T2488-N2490 VanDerWaalsContact O-N 3.08Å; N2490-F2492 PolarHBondContact O-N 3.31Å; N2490-L2494 WeakPolarHBondContact O-CD1 3.45Å |
| 2491 | Q | 60.2 | Low | 57.6 | Low | 80 Ų | 80 | 73.9 Ų | 73.9 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.4 | -19.3 | 179.5 | -142.3 | 164.9 | 3.5 | 0 | 0 | 111.9 | P2487 T2488 Y2489 | P2487-Q2491 HydrophobicContact CB-CB 4.36Å; T2488-Q2491 WeakPolarHBondContact O-CB 3.26Å; T2488-Q2491 PolarHBondContact O-N 3.11Å; Y2489-Q2491 VanDerWaalsContact C-N 3.3Å; Y2489-Q2491 PolarHBondContact O-N 3.11Å |
| 2492 | F | 56.9 | Low | 55 | Low | 14 Ų | 14 | 80.6 Ų | 80.6 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -86.4 | -26.5 | -178.2 | -60.1 | -62.4 | 0 | 0 | 0 | 114.7 | P2487 T2488 Y2489 N2490 I2582 | P2487-F2492 HydrophobicContact CB-CD1 3.97Å; P2487-F2492 HydrophobicContact CB-CE1 3.35Å; P2487-F2492 HydrophobicContact CB-CE2 4.1Å; P2487-F2492 HydrophobicContact CB-CZ 3.4Å; P2487-F2492 HydrophobicContact CG-CD1 4.25Å; P2487-F2492 HydrophobicContact CG-CE1 3.35Å; P2487-F2492 HydrophobicContact CG-CZ 3.66Å; P2487-F2492 WeakPolarHBondContact O-CE2 3.32Å; P2487-F2492 WeakPolarHBondContact O-CZ 3.5Å; T2488-F2492 WeakPolarHBondContact O-CD2 3.07Å; T2488-F2492 WeakPolarHBondContact O-CE2 3.34Å; Y2489-F2492 WeakPolarHBondContact O-CB 3.35Å; Y2489-F2492 PolarHBondContact O-N 2.91Å; N2490-F2492 PolarHBondContact O-N 3.31Å; F2492-I2582 HydrophobicContact CB-CD1 3.78Å; F2492-I2582 HydrophobicContact CD1-CD1 3.1Å; F2492-I2582 HydrophobicContact CD1-CG1 4.06Å; F2492-I2582 HydrophobicContact CD2-CD1 4.42Å; F2492-I2582 HydrophobicContact CE1-CD1 3.56Å; F2492-I2582 HydrophobicContact CE1-CG1 4.02Å; F2492-I2582 HydrophobicContact CE1-CG2 4.36Å; F2492-I2582 HydrophobicContact CE2-CG2 4.45Å; F2492-I2582 HydrophobicContact CG-CD1 3.56Å; F2492-I2582 HydrophobicContact CZ-CD1 4.45Å; F2492-I2582 HydrophobicContact CZ-CG2 4.27Å |
| 2493 | I | 51.5 | Low | 52.3 | Low | 73 Ų | 73 | 86.1 Ų | 86.1 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -91.5 | -34.2 | -177.1 | -62.5 | -176.5 | 0 | 0 | 0 | 111.4 | Y2489 T2495 | Y2489-I2493 HydrophobicContact CD1-CD1 4.37Å; Y2489-I2493 HydrophobicContact CE1-CD1 3.57Å; Y2489-I2493 HydrophobicContact CE2-CD1 4.28Å; I2493-T2495 VanDerWaalsContact C-N 3.31Å; I2493-T2495 PolarHBondContact O-N 3.01Å |
| 2494 | L | 47.2 | Very low | 49.7 | Very low | 100 Ų | 100 | 92.7 Ų | 92.7 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 0.7 | -167.7 | -74.4 | 169.3 | 0 | 0 | 0 | 115.9 | N2490 | N2490-L2494 WeakPolarHBondContact O-CD1 3.45Š|
| 2495 | T | 48.2 | Very low | 47.3 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 55% | 0.546 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -11.6 | -177 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | I2493 | I2493-T2495 VanDerWaalsContact C-N 3.31Å; I2493-T2495 PolarHBondContact O-N 3.01Å |
| 2496 | E | 41.3 | Very low | 44.7 | Very low | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -19.7 | 178.4 | -79.2 | -178.1 | 171.9 | 0 | 0 | 114.2 | S2576 | E2496-S2576 WeakPolarHBondContact OE2-CB 3.25Š|
| 2497 | S | 37.3 | Very low | 42.2 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -91 | -0.3 | -170 | 61 | 0 | 0 | 0 | 0 | 116.9 | V2499 | S2497-V2499 PolarHBondContact O-N 3.46Š|
| 2498 | N | 34.5 | Very low | 40.2 | Very low | 136 Ų | 136 | 111.7 Ų | 111.7 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 62.4 | -175.4 | -78.5 | -6.8 | 0 | 0 | 0 | 114.1 | ||
| 2499 | V | 36.5 | Very low | 38.3 | Very low | 132 Ų | 132 | 114.6 Ų | 114.6 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | -4.2 | 168.2 | 179.2 | 0 | 0 | 0 | 0 | 114.1 | S2497 | S2497-V2499 PolarHBondContact O-N 3.46Š|
| 2500 | K | 26.4 | Very low | 36.8 | Very low | 191 Ų | 191 | 116.8 Ų | 116.8 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -141.2 | 112.4 | 170.9 | -76.3 | -176.8 | 177 | 177 | 0 | 110.9 | ||
| 2501 | C | 27.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | 145.8 | 107.9 | 138.3 | -72.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2502 | N | 27 | Very low | 33.9 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | 45.5 | 128 | 139.3 | -66.7 | -2.1 | 0 | 0 | 0 | 123.4 | ||||
| 2503 | T | 27.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -27.5 | 144.6 | 150.8 | 50.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2504 | N | 28.1 | Very low | 31.3 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 88.1 | 87 | 160.4 | -56 | -13.5 | 0 | 0 | 0 | 116.8 | ||||
| 2505 | T | 31.1 | Very low | 30.4 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 91% | 0.908 | 75% | 0.75 | S | S | * | * | -163.9 | 111.4 | 129.6 | 7.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 2506 | L | 28.6 | Very low | 29.6 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 98% | 0.979 | 75% | 0.754 | S | S | * | * | trans | -76.3 | 120 | 166.8 | -119.5 | 88.3 | 0 | 0 | 0 | 107.7 | ||||
| 2507 | G | 27.5 | Very low | 28.9 | Very low | 61 Ų | 61 | 138.3 Ų | 138.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -169.9 | 81.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2509 | G2507-T2509 PolarHBondContact O-N 3.21Š| ||
| 2508 | I | 27 | Very low | 28.3 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | 24 | 95.9 | 146.4 | -51.2 | 171.5 | 0 | 0 | 0 | 114.6 | ||||
| 2509 | T | 26.1 | Very low | 28 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 177.6 | 122.2 | 145.7 | 30.7 | 0 | 0 | 0 | 0 | 110 | G2507 | G2507-T2509 PolarHBondContact O-N 3.21Š| ||
| 2510 | S | 27.7 | Very low | 27.5 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | 143.2 | 108.6 | 136.6 | 67.1 | 0 | 0 | 0 | 0 | 114.3 | I2512 | S2510-I2512 PolarHBondContact O-N 3.42Š| ||
| 2511 | K | 27.1 | Very low | 27.6 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 95% | 0.948 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -77.4 | 29.4 | 164.5 | -99.3 | 179.4 | 173.7 | 177.8 | 0 | 112.4 | ||
| 2512 | I | 26.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -133.6 | 46.2 | -169.3 | -45.4 | -179.9 | 0 | 0 | 0 | 112.3 | S2510 | S2510-I2512 PolarHBondContact O-N 3.42Š| ||
| 2513 | H | 25.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | -132.7 | 73.3 | 168.7 | -87.6 | -55.9 | 0 | 0 | 0 | 110.9 | ||||
| 2514 | Q | 28.1 | Very low | 27.6 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | -127.6 | 20 | 173.9 | -132.3 | 175.7 | 19.4 | 0 | 0 | 113.8 | ||||
| 2515 | F | 28.8 | Very low | 28.1 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 61% | 0.605 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.9 | 0.8 | 176 | -122.4 | -85.4 | 0 | 0 | 0 | 114.5 | F2466 | F2466-F2515 HydrophobicContact CE1-CE1 4.3Å; F2466-F2515 HydrophobicContact CE1-CZ 4.35Å; F2466-F2515 HydrophobicContact CZ-CE1 4.22Å |
| 2516 | N | 31.3 | Very low | 28.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -137.2 | 13.8 | -172.5 | -92.2 | -8.3 | 0 | 0 | 0 | 116.2 | C2518 | N2516-C2518 VanDerWaalsContact C-N 3.33Å; N2516-C2518 PolarHBondContact O-N 3.24Å |
| 2517 | S | 25.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 17.5 | -174.2 | -70.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2518 | C | 25.5 | Very low | 30.4 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 46.6 | 178 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | N2516 | N2516-C2518 VanDerWaalsContact C-N 3.33Å; N2516-C2518 PolarHBondContact O-N 3.24Å |
| 2519 | T | 28.7 | Very low | 31.8 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 44% | 0.442 | 67% | 0.674 | S | S | . | * | trans | -152.2 | 88.4 | 165 | 54.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 2520 | N | 24.9 | Very low | 33.5 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -143.5 | 73.8 | 162 | -92.5 | -17.7 | 0 | 0 | 0 | 108.3 | ||||
| 2521 | I | 27.8 | Very low | 35.4 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 82% | 0.815 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -155.5 | 124.8 | 155.2 | -83.1 | 124 | 0 | 0 | 0 | 107.5 | ||
| 2522 | M | 24.8 | Very low | 37.6 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 66.3 | 102.2 | 169.5 | -119.5 | 82.7 | 86.7 | 0 | 0 | 120.3 | N2524 | M2522-N2524 PolarHBondContact O-N 2.89Å; M2522-N2524 VanDerWaalsContact O-N 3.15Å |
| 2523 | G | 27.6 | Very low | 40.3 | Very low | 75 Ų | 75 | 110.4 Ų | 110.4 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | S | Bend | 55.6 | 40.5 | 117.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||
| 2524 | N | 31.2 | Very low | 43 | Very low | 112 Ų | 112 | 106 Ų | 106 | 60% | 0.599 | 57% | 0.572 | S | S | * | * | trans | -167.7 | 70.9 | 154.3 | -103.1 | -20.1 | 0 | 0 | 0 | 112 | M2522 Q2526 S2527 | M2522-N2524 PolarHBondContact O-N 2.89Å; M2522-N2524 VanDerWaalsContact O-N 3.15Å; N2524-Q2526 PolarHBondContact O-N 2.96Å; N2524-S2527 PolarHBondContact O-N 3.35Å; N2524-S2527 PolarHBondContact O-OG 3.5Å | ||
| 2525 | K | 37.9 | Very low | 45.8 | Very low | 179 Ų | 179 | 98.8 Ų | 98.8 | 78% | 0.778 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -21.5 | 176.6 | -75.5 | -177.4 | 176.5 | 179.1 | 0 | 113.3 | ||
| 2526 | Q | 43.7 | Very low | 48.6 | Very low | 166 Ų | 166 | 93.8 Ų | 93.8 | 78% | 0.776 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75 | -39.5 | -180 | -75.8 | -179.3 | -5.9 | 0 | 0 | 113.4 | N2524 T2530 | N2524-Q2526 PolarHBondContact O-N 2.96Å; Q2526-T2530 PolarHBondContact O-N 3.23Å |
| 2527 | S | 42.8 | Very low | 51.4 | Low | 51 Ų | 51 | 93.9 Ų | 93.9 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.5 | -37.4 | -176.4 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | N2524 N2529 T2530 H2531 | N2524-S2527 PolarHBondContact O-N 3.35Å; N2524-S2527 PolarHBondContact O-OG 3.5Å; S2527-N2529 VanDerWaalsContact C-N 3.33Å; S2527-N2529 PolarHBondContact O-N 3.36Å; S2527-T2530 PolarHBondContact O-N 3.01Å; S2527-T2530 PolarHBondContact O-OG1 3.09Å; S2527-H2531 PolarHBondContact O-CD2 2.76Å; S2527-H2531 VanDerWaalsContact O-CD2 3.28Å; S2527-H2531 PolarHBondContact O-N 3.3Å |
| 2528 | I | 50 | Low | 54.6 | Low | 72 Ų | 72 | 90.7 Ų | 90.7 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | -179.8 | -62.5 | 164.2 | 0 | 0 | 0 | 111.2 | T2530 H2531 Q2532 | I2528-T2530 VanDerWaalsContact C-N 3.34Å; I2528-T2530 PolarHBondContact O-N 2.64Å; I2528-H2531 PolarHBondContact O-N 3.15Å; I2528-Q2532 PolarHBondContact O-N 3.18Å |
| 2529 | N | 55.2 | Low | 57.7 | Low | 81 Ų | 81 | 85.4 Ų | 85.4 | 43% | 0.433 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 178.1 | -76.2 | -11.1 | 0 | 0 | 0 | 112.3 | S2527 Q2532 E2533 | S2527-N2529 VanDerWaalsContact C-N 3.33Å; S2527-N2529 PolarHBondContact O-N 3.36Å; N2529-Q2532 PolarHBondContact O-N 3.41Å; N2529-E2533 WeakPolarHBondContact O-CG 3.41Å; N2529-E2533 PolarHBondContact O-N 3.27Å |
| 2530 | T | 62.8 | Low | 60.7 | Low | 71 Ų | 71 | 82.3 Ų | 82.3 | 44% | 0.436 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 178.2 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | Q2526 S2527 I2528 Q2532 E2533 D2534 | Q2526-T2530 PolarHBondContact O-N 3.23Å; S2527-T2530 PolarHBondContact O-N 3.01Å; S2527-T2530 PolarHBondContact O-OG1 3.09Å; I2528-T2530 VanDerWaalsContact C-N 3.34Å; I2528-T2530 PolarHBondContact O-N 2.64Å; T2530-Q2532 PolarHBondContact O-N 3.2Å; T2530-E2533 PolarHBondContact O-N 3.11Å; T2530-D2534 PolarHBondContact O-N 3.24Å |
| 2531 | H | 66.3 | Low | 64 | Low | 100 Ų | 100 | 78.7 Ų | 78.7 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 178.1 | -75.1 | -61.3 | 0 | 0 | 0 | 112.9 | S2527 I2528 I2535 | S2527-H2531 PolarHBondContact O-CD2 2.76Å; S2527-H2531 VanDerWaalsContact O-CD2 3.28Å; S2527-H2531 PolarHBondContact O-N 3.3Å; I2528-H2531 PolarHBondContact O-N 3.15Å; H2531-I2535 WeakPolarHBondContact O-CG1 3.18Å; H2531-I2535 PolarHBondContact O-N 3.39Å |
| 2532 | Q | 74.9 | Confident | 67.1 | Low | 67 Ų | 67 | 71.1 Ų | 71.1 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 173.7 | -85 | -176.1 | -13.9 | 0 | 0 | 112.5 | I2528 N2529 T2530 D2534 I2535 Y2536 | I2528-Q2532 PolarHBondContact O-N 3.18Å; N2529-Q2532 PolarHBondContact O-N 3.41Å; T2530-Q2532 PolarHBondContact O-N 3.2Å; Q2532-D2534 VanDerWaalsContact C-N 3.34Å; Q2532-D2534 PolarHBondContact O-N 3.25Å; Q2532-I2535 PolarHBondContact O-N 3.36Å; Q2532-Y2536 HydrophobicContact CB-CE2 4.09Å; Q2532-Y2536 WeakPolarHBondContact O-CD2 3.48Å; Q2532-Y2536 PolarHBondContact O-N 2.96Å |
| 2533 | E | 82.4 | Confident | 70.3 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.8 | -72.8 | 176 | -172.5 | 0 | 0 | 111.7 | N2529 T2530 I2535 Y2536 K2537 R2578 F2581 | N2529-E2533 WeakPolarHBondContact O-CG 3.41Å; N2529-E2533 PolarHBondContact O-N 3.27Å; T2530-E2533 PolarHBondContact O-N 3.11Å; E2533-I2535 VanDerWaalsContact C-N 3.34Å; E2533-I2535 PolarHBondContact O-N 3.4Å; E2533-Y2536 PolarHBondContact O-N 3.48Å; E2533-K2537 WeakPolarHBondContact O-CB 3.42Å; E2533-K2537 PolarHBondContact O-N 3.37Å; E2533-R2578 IonicContact OE1-NH1 3.43Å; E2533-R2578 PolarHBondContact OE1-NH1 3.48Å; E2533-F2581 HydrophobicContact CB-CE1 3.88Å; E2533-F2581 HydrophobicContact CB-CZ 4.07Å; E2533-F2581 HydrophobicContact CG-CD1 4.23Å; E2533-F2581 HydrophobicContact CG-CE1 3.94Å; E2533-F2581 WeakPolarHBondContact O-CZ 3.09Å |
| 2534 | D | 82.8 | Confident | 73.4 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.9 | -45.8 | 172 | -87.7 | 5.5 | 0 | 0 | 0 | 112 | R2400 T2530 Q2532 K2537 L2538 | R2400-D2534 IonicContact CZ-OD2 2.77Å; R2400-D2534 IonicContact NE-OD2 3.5Å; R2400-D2534 PolarHBondContact NE-OD2 3.37Å; R2400-D2534 IonicContact NH2-OD2 3.21Å; R2400-D2534 PolarHBondContact NH2-OD2 2.92Å; T2530-D2534 PolarHBondContact O-N 3.24Å; Q2532-D2534 VanDerWaalsContact C-N 3.34Å; Q2532-D2534 PolarHBondContact O-N 3.25Å; D2534-K2537 PolarHBondContact O-N 2.94Å; D2534-L2538 WeakPolarHBondContact O-CG 3.5Å; D2534-L2538 PolarHBondContact O-N 2.89Å |
| 2535 | I | 86.1 | Confident | 76.3 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 179.1 | -70.4 | 168.6 | 0 | 0 | 0 | 110.6 | L2396 L2399 R2400 L2403 H2531 Q2532 E2533 K2537 L2538 I2539 | L2396-I2535 HydrophobicContact CB-CD1 4.31Å; L2396-I2535 HydrophobicContact CD2-CD1 3.93Å; L2399-I2535 HydrophobicContact CD2-CG2 4.34Å; R2400-I2535 HydrophobicContact CB-CG1 4.36Å; L2403-I2535 HydrophobicContact CD1-CG2 3.99Å; H2531-I2535 WeakPolarHBondContact O-CG1 3.18Å; H2531-I2535 PolarHBondContact O-N 3.39Å; Q2532-I2535 PolarHBondContact O-N 3.36Å; E2533-I2535 VanDerWaalsContact C-N 3.34Å; E2533-I2535 PolarHBondContact O-N 3.4Å; I2535-K2537 VanDerWaalsContact C-N 3.32Å; I2535-K2537 PolarHBondContact O-N 3.46Å; I2535-L2538 PolarHBondContact O-N 3.42Å; I2535-I2539 HydrophobicContact CG2-CD1 3.66Å; I2535-I2539 HydrophobicContact CG2-CG1 4.32Å; I2535-I2539 VanDerWaalsContact O-CG1 3.3Å; I2535-I2539 WeakPolarHBondContact O-CG1 3.46Å; I2535-I2539 PolarHBondContact O-N 3Å |
| 2536 | Y | 88.1 | Confident | 78.8 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.6 | -60.9 | -37.5 | 0 | 0 | 0 | 111.6 | P2487 Q2532 E2533 L2538 I2539 F2540 | P2487-Y2536 HydrophobicContact CG-CD1 4.24Å; P2487-Y2536 HydrophobicContact CG-CE1 3.43Å; P2487-Y2536 VanDerWaalsContact CG-CE1 3.43Å; P2487-Y2536 HydrophobicContact CG-CE2 4.06Å; P2487-Y2536 VanDerWaalsContact CG-OH 3.31Å; P2487-Y2536 WeakPolarHBondContact CG-OH 3.26Å; Q2532-Y2536 HydrophobicContact CB-CE2 4.09Å; Q2532-Y2536 WeakPolarHBondContact O-CD2 3.48Å; Q2532-Y2536 PolarHBondContact O-N 2.96Å; E2533-Y2536 PolarHBondContact O-N 3.48Å; Y2536-L2538 VanDerWaalsContact C-N 3.31Å; Y2536-L2538 PolarHBondContact O-N 2.92Å; Y2536-I2539 PolarHBondContact O-N 3.32Å; Y2536-F2540 WeakPolarHBondContact O-CD2 3.39Å; Y2536-F2540 PolarHBondContact O-N 3.02Å |
| 2537 | K | 91.2 | Very high | 81 | Confident | 118 Ų | 118 | 40.6 Ų | 40.6 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.2 | -45.7 | 176.2 | -171.2 | 177.2 | 178.3 | -178.7 | 0 | 111.5 | E2533 D2534 I2535 Q2541 F2581 L2585 | E2533-K2537 WeakPolarHBondContact O-CB 3.42Å; E2533-K2537 PolarHBondContact O-N 3.37Å; D2534-K2537 PolarHBondContact O-N 2.94Å; I2535-K2537 VanDerWaalsContact C-N 3.32Å; I2535-K2537 PolarHBondContact O-N 3.46Å; K2537-Q2541 VanDerWaalsContact O-CB 3.25Å; K2537-Q2541 WeakPolarHBondContact O-CB 3.21Å; K2537-Q2541 PolarHBondContact O-N 2.84Å; K2537-F2581 HydrophobicContact CB-CZ 4.19Å; K2537-L2585 HydrophobicContact CB-CD2 4.42Å; K2537-L2585 HydrophobicContact CG-CD2 4.28Å |
| 2538 | L | 91.9 | Very high | 83.2 | Confident | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.199 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 178.8 | -69 | 170 | 0 | 0 | 0 | 112.7 | R2400 L2403 D2534 I2535 Y2536 Q2541 L2542 | R2400-L2538 HydrophobicContact CG-CD1 3.99Å; R2400-L2538 WeakPolarHBondContact O-CD1 3.46Å; L2403-L2538 HydrophobicContact CB-CB 3.92Å; L2403-L2538 HydrophobicContact CB-CD1 4.1Å; L2403-L2538 HydrophobicContact CD1-CB 4.37Å; D2534-L2538 WeakPolarHBondContact O-CG 3.5Å; D2534-L2538 PolarHBondContact O-N 2.89Å; I2535-L2538 PolarHBondContact O-N 3.42Å; Y2536-L2538 VanDerWaalsContact C-N 3.31Å; Y2536-L2538 PolarHBondContact O-N 2.92Å; L2538-Q2541 PolarHBondContact O-N 3.29Å; L2538-L2542 VanDerWaalsContact O-CB 3.31Å; L2538-L2542 WeakPolarHBondContact O-CB 3.37Å; L2538-L2542 PolarHBondContact O-N 3.36Å |
| 2539 | I | 91.1 | Very high | 85 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 176.4 | -69.4 | 166.5 | 0 | 0 | 0 | 110.5 | L2403 L2482 L2485 I2486 I2535 Y2536 Q2541 L2542 L2543 | L2403-I2539 HydrophobicContact CD1-CD1 4.4Å; L2403-I2539 HydrophobicContact CD1-CG1 3.79Å; L2403-I2539 HydrophobicContact CD2-CG1 4.08Å; L2482-I2539 HydrophobicContact CD2-CG2 3.81Å; L2482-I2539 HydrophobicContact CG-CG2 4.38Å; L2485-I2539 HydrophobicContact CB-CD1 3.68Å; L2485-I2539 HydrophobicContact CD1-CD1 4.15Å; I2486-I2539 HydrophobicContact CD1-CG2 4.31Å; I2486-I2539 HydrophobicContact CG1-CG2 4.03Å; I2535-I2539 HydrophobicContact CG2-CD1 3.66Å; I2535-I2539 HydrophobicContact CG2-CG1 4.32Å; I2535-I2539 VanDerWaalsContact O-CG1 3.3Å; I2535-I2539 WeakPolarHBondContact O-CG1 3.46Å; I2535-I2539 PolarHBondContact O-N 3Å; Y2536-I2539 PolarHBondContact O-N 3.32Å; I2539-Q2541 VanDerWaalsContact C-N 3.35Å; I2539-Q2541 PolarHBondContact O-N 3.37Å; I2539-L2542 PolarHBondContact O-N 3.28Å; I2539-L2543 HydrophobicContact CG2-CD1 4.21Å; I2539-L2543 WeakPolarHBondContact O-CG 3.48Å; I2539-L2543 PolarHBondContact O-N 2.97Å |
| 2540 | F | 92.4 | Very high | 86.5 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 179.7 | -87.7 | -93.1 | 0 | 0 | 0 | 112.1 | I2486 Y2536 L2543 A2544 L2585 W2586 L2589 | I2486-F2540 HydrophobicContact CD1-CE2 4.18Å; I2486-F2540 HydrophobicContact CD1-CZ 4.1Å; I2486-F2540 HydrophobicContact CG2-CE2 4.1Å; I2486-F2540 HydrophobicContact CG2-CZ 4.02Å; Y2536-F2540 WeakPolarHBondContact O-CD2 3.39Å; Y2536-F2540 PolarHBondContact O-N 3.02Å; F2540-L2543 PolarHBondContact O-N 3.18Å; F2540-A2544 VanDerWaalsContact O-CB 3.28Å; F2540-A2544 WeakPolarHBondContact O-CB 3.45Å; F2540-A2544 PolarHBondContact O-N 3.01Å; F2540-L2585 HydrophobicContact CB-CB 4.03Å; F2540-L2585 HydrophobicContact CB-CD1 4.43Å; F2540-L2585 HydrophobicContact CB-CD2 4.19Å; F2540-L2585 HydrophobicContact CB-CG 4.45Å; F2540-L2585 HydrophobicContact CD1-CB 3.77Å; F2540-L2585 WeakPolarHBondContact CD1-O 3.28Å; F2540-L2585 HydrophobicContact CD2-CB 3.97Å; F2540-L2585 HydrophobicContact CD2-CD1 3.79Å; F2540-L2585 HydrophobicContact CD2-CG 4.45Å; F2540-L2585 HydrophobicContact CE1-CB 4.18Å; F2540-L2585 HydrophobicContact CE2-CB 4.36Å; F2540-L2585 HydrophobicContact CE2-CD1 4.28Å; F2540-L2585 HydrophobicContact CG-CB 3.65Å; F2540-L2585 HydrophobicContact CG-CD1 4.18Å; F2540-L2585 HydrophobicContact CG-CG 4.38Å; F2540-L2585 HydrophobicContact CZ-CB 4.46Å; F2540-W2586 AromaticContact CE1-CD2 3.66Å; F2540-W2586 HydrophobicContact CE1-CD2 3.66Å; F2540-W2586 AromaticContact CE1-CE2 3.8Å; F2540-W2586 HydrophobicContact CE1-CE3 4.08Å; F2540-W2586 AromaticContact CE1-CG 3.86Å; F2540-W2586 HydrophobicContact CE1-CG 3.86Å; F2540-W2586 HydrophobicContact CE1-CZ2 4.34Å; F2540-W2586 AromaticContact CZ-CD1 3.91Å; F2540-W2586 AromaticContact CZ-CD2 3.99Å; F2540-W2586 HydrophobicContact CZ-CD2 3.99Å; F2540-W2586 AromaticContact CZ-CE2 3.62Å; F2540-W2586 HydrophobicContact CZ-CG 4.18Å; F2540-W2586 HydrophobicContact CZ-CZ2 4.06Å; F2540-W2586 AromaticContact CZ-NE1 3.58Å; F2540-L2589 HydrophobicContact CD1-CB 4.13Å; F2540-L2589 HydrophobicContact CD1-CD2 4.16Å; F2540-L2589 HydrophobicContact CE1-CD2 4.17Å |
| 2541 | Q | 93.2 | Very high | 87.7 | Confident | 78 Ų | 78 | 39.6 Ų | 39.6 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 175 | -173.5 | 64.8 | 46.2 | 0 | 0 | 111.8 | T2407 K2537 L2538 I2539 A2544 N2545 | T2407-Q2541 HydrophobicContact CG2-CB 3.8Å; T2407-Q2541 HydrophobicContact CG2-CG 3.73Å; K2537-Q2541 VanDerWaalsContact O-CB 3.25Å; K2537-Q2541 WeakPolarHBondContact O-CB 3.21Å; K2537-Q2541 PolarHBondContact O-N 2.84Å; L2538-Q2541 PolarHBondContact O-N 3.29Å; I2539-Q2541 VanDerWaalsContact C-N 3.35Å; I2539-Q2541 PolarHBondContact O-N 3.37Å; Q2541-A2544 WeakPolarHBondContact O-CB 3.31Å; Q2541-A2544 PolarHBondContact O-N 2.92Å; Q2541-N2545 PolarHBondContact NE2-OD1 2.84Å; Q2541-N2545 VanDerWaalsContact O-CG 3.26Å; Q2541-N2545 PolarHBondContact O-N 3.43Å; Q2541-N2545 PolarHBondContact O-OD1 3.36Å |
| 2542 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.4 | 179.4 | 55.5 | 0 | 0 | 0 | 110.8 | L2403 L2406 T2407 T2410 L2482 L2538 I2539 A2544 N2545 M2546 | L2403-L2542 HydrophobicContact CD2-CD2 3.96Å; L2406-L2542 HydrophobicContact CB-CD1 3.86Å; L2406-L2542 HydrophobicContact CB-CD2 3.81Å; L2406-L2542 HydrophobicContact CD1-CD2 3.94Å; T2407-L2542 HydrophobicContact CG2-CB 3.85Å; T2410-L2542 HydrophobicContact CG2-CD1 3.68Å; T2410-L2542 VanDerWaalsContact OG1-CD1 3.27Å; T2410-L2542 WeakPolarHBondContact OG1-CD1 3.41Å; L2482-L2542 HydrophobicContact CD1-CD2 3.53Å; L2538-L2542 VanDerWaalsContact O-CB 3.31Å; L2538-L2542 WeakPolarHBondContact O-CB 3.37Å; L2538-L2542 PolarHBondContact O-N 3.36Å; I2539-L2542 PolarHBondContact O-N 3.28Å; L2542-A2544 VanDerWaalsContact C-N 3.32Å; L2542-A2544 PolarHBondContact O-N 3.47Å; L2542-N2545 PolarHBondContact O-N 3.46Å; L2542-M2546 HydrophobicContact CD1-CG 4.12Å; L2542-M2546 HydrophobicContact CD1-SD 4.13Å; L2542-M2546 HydrophobicContact CG-CG 4.47Å; L2542-M2546 HydrophobicContact CG-SD 4.08Å; L2542-M2546 WeakPolarHBondContact O-CB 3.48Å; L2542-M2546 VanDerWaalsContact O-CG 3.27Å; L2542-M2546 WeakPolarHBondContact O-CG 3.45Å; L2542-M2546 PolarHBondContact O-N 2.97Å |
| 2543 | L | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.3 | -72.7 | 174.3 | 0 | 0 | 0 | 112 | L2482 I2486 I2539 F2540 N2545 M2546 V2547 L2556 L2589 | L2482-L2543 HydrophobicContact CD2-CD1 4Å; L2482-L2543 HydrophobicContact CD2-CD2 3.6Å; L2482-L2543 HydrophobicContact CD2-CG 3.6Å; I2486-L2543 HydrophobicContact CD1-CD1 3.66Å; I2539-L2543 HydrophobicContact CG2-CD1 4.21Å; I2539-L2543 WeakPolarHBondContact O-CG 3.48Å; I2539-L2543 PolarHBondContact O-N 2.97Å; F2540-L2543 PolarHBondContact O-N 3.18Å; L2543-N2545 VanDerWaalsContact C-N 3.31Å; L2543-N2545 PolarHBondContact O-N 3.29Å; L2543-M2546 PolarHBondContact O-N 2.99Å; L2543-M2546 VanDerWaalsContact O-N 3.16Å; L2543-V2547 VanDerWaalsContact O-CG2 3.22Å; L2543-V2547 WeakPolarHBondContact O-CG2 3.37Å; L2543-V2547 PolarHBondContact O-N 2.71Å; L2543-L2556 HydrophobicContact CD2-CD2 4.08Å; L2543-L2589 HydrophobicContact CB-CD1 3.76Å |
| 2544 | A | 91.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2540 Q2541 L2542 L2589 N2592 | F2540-A2544 VanDerWaalsContact O-CB 3.28Å; F2540-A2544 WeakPolarHBondContact O-CB 3.45Å; F2540-A2544 PolarHBondContact O-N 3.01Å; Q2541-A2544 WeakPolarHBondContact O-CB 3.31Å; Q2541-A2544 PolarHBondContact O-N 2.92Å; L2542-A2544 VanDerWaalsContact C-N 3.32Å; L2542-A2544 PolarHBondContact O-N 3.47Å; A2544-L2589 HydrophobicContact CB-CD1 4.38Å; A2544-N2592 HydrophobicContact CB-CB 4.26Å |
| 2545 | N | 92.3 | Very high | 89.5 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 174.1 | -64.9 | -4.7 | 0 | 0 | 0 | 111.6 | T2407 T2410 A2411 Q2541 L2542 L2543 V2547 | T2407-N2545 PolarHBondContact O-ND2 3.22Å; T2410-N2545 WeakPolarHBondContact OG1-CB 3.42Å; T2410-N2545 PolarHBondContact OG1-ND2 2.77Å; T2410-N2545 VanDerWaalsContact OG1-ND2 3.13Å; A2411-N2545 PolarHBondContact N-ND2 3.2Å; Q2541-N2545 PolarHBondContact NE2-OD1 2.84Å; Q2541-N2545 VanDerWaalsContact O-CG 3.26Å; Q2541-N2545 PolarHBondContact O-N 3.43Å; Q2541-N2545 PolarHBondContact O-OD1 3.36Å; L2542-N2545 PolarHBondContact O-N 3.46Å; L2543-N2545 VanDerWaalsContact C-N 3.31Å; L2543-N2545 PolarHBondContact O-N 3.29Å; N2545-V2547 PolarHBondContact O-N 3.42Å |
| 2546 | M | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.5 | -29.8 | -174.6 | -71.9 | -176.4 | 68.3 | 0 | 0 | 114.3 | T2410 S2417 L2420 V2421 I2479 L2542 L2543 W2548 A2549 T2552 | T2410-M2546 HydrophobicContact CG2-CG 4.1Å; S2417-M2546 WeakPolarHBondContact OG-CA 3.35Å; L2420-M2546 HydrophobicContact CB-CE 3.63Å; L2420-M2546 HydrophobicContact CB-SD 4.46Å; L2420-M2546 HydrophobicContact CD1-SD 4.38Å; V2421-M2546 HydrophobicContact CG2-CE 4Å; I2479-M2546 HydrophobicContact CD1-CE 3.62Å; I2479-M2546 HydrophobicContact CG1-CE 3.99Å; L2542-M2546 HydrophobicContact CD1-CG 4.12Å; L2542-M2546 HydrophobicContact CD1-SD 4.13Å; L2542-M2546 HydrophobicContact CG-CG 4.47Å; L2542-M2546 HydrophobicContact CG-SD 4.08Å; L2542-M2546 WeakPolarHBondContact O-CB 3.48Å; L2542-M2546 VanDerWaalsContact O-CG 3.27Å; L2542-M2546 WeakPolarHBondContact O-CG 3.45Å; L2542-M2546 PolarHBondContact O-N 2.97Å; L2543-M2546 PolarHBondContact O-N 2.99Å; L2543-M2546 VanDerWaalsContact O-N 3.16Å; M2546-W2548 PolarHBondContact O-N 3.2Å; M2546-W2548 VanDerWaalsContact O-N 3.11Å; M2546-A2549 PolarHBondContact O-N 2.97Å; M2546-T2552 HydrophobicContact CB-CG2 3.63Å; M2546-T2552 HydrophobicContact CE-CG2 4.29Å; M2546-T2552 WeakPolarHBondContact O-CB 3.46Å; M2546-T2552 PolarHBondContact O-OG1 3.34Å |
| 2547 | V | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.2 | -179.3 | 157.5 | 0 | 0 | 0 | 0 | 113.4 | L2543 N2545 A2549 R2553 L2556 L2589 I2593 | L2543-V2547 VanDerWaalsContact O-CG2 3.22Å; L2543-V2547 WeakPolarHBondContact O-CG2 3.37Å; L2543-V2547 PolarHBondContact O-N 2.71Å; N2545-V2547 PolarHBondContact O-N 3.42Å; V2547-A2549 PolarHBondContact O-N 2.9Å; V2547-R2553 HydrophobicContact CB-CG 4.44Å; V2547-R2553 HydrophobicContact CG1-CG 3.87Å; V2547-R2553 WeakPolarHBondContact O-CD 3.45Å; V2547-R2553 WeakPolarHBondContact O-CG 3.35Å; V2547-R2553 PolarHBondContact O-NE 2.64Å; V2547-L2556 HydrophobicContact CG2-CD1 3.49Å; V2547-L2556 VanDerWaalsContact CG2-CD1 3.49Å; V2547-L2589 HydrophobicContact CG2-CD1 4.03Å; V2547-I2593 HydrophobicContact CB-CG1 4.26Å; V2547-I2593 HydrophobicContact CG1-CB 3.99Å; V2547-I2593 HydrophobicContact CG1-CG1 3.43Å; V2547-I2593 VanDerWaalsContact CG1-CG1 3.43Å; V2547-I2593 HydrophobicContact CG2-CD1 4.44Å; V2547-I2593 HydrophobicContact CG2-CG1 3.79Å |
| 2548 | W | 87.9 | Confident | 88.8 | Confident | 123 Ų | 123 | 37.2 Ų | 37.2 | 47% | 0.466 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.9 | 175.3 | -70.2 | 83.3 | 0 | 0 | 0 | 112.5 | M2546 N2592 F2595 | M2546-W2548 PolarHBondContact O-N 3.2Å; M2546-W2548 VanDerWaalsContact O-N 3.11Å; W2548-N2592 PolarHBondContact NE1-OD1 2.99Å; W2548-F2595 HydrophobicContact CH2-CB 4.09Å; W2548-F2595 HydrophobicContact CH2-CD2 4.28Å; W2548-F2595 HydrophobicContact CH2-CG 4.26Å; W2548-F2595 HydrophobicContact CZ2-CB 4.45Å; W2548-F2595 HydrophobicContact CZ2-CD2 4.04Å; W2548-F2595 HydrophobicContact CZ2-CG 4.46Å |
| 2549 | A | 87.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -79.2 | 133.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M2546 V2547 E2551 T2552 R2553 | M2546-A2549 PolarHBondContact O-N 2.97Å; V2547-A2549 PolarHBondContact O-N 2.9Å; A2549-E2551 VanDerWaalsContact C-N 3.28Å; A2549-E2551 PolarHBondContact O-N 3.09Å; A2549-T2552 PolarHBondContact O-N 2.79Å; A2549-R2553 PolarHBondContact O-N 3.19Å |
| 2550 | P | 87.4 | Confident | 87.7 | Confident | 59 Ų | 59 | 43 Ų | 43 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.4 | -32.6 | 179.8 | 24.2 | -31.4 | 0 | 0 | 0 | 113.6 | R2553 S2554 | P2550-R2553 VanDerWaalsContact CA-NH2 3.31Å; P2550-R2553 PolarHBondContact O-N 2.75Å; P2550-S2554 WeakPolarHBondContact O-CB 3.46Å; P2550-S2554 PolarHBondContact O-N 3.37Å; P2550-S2554 PolarHBondContact O-OG 3.14Å |
| 2551 | E | 86.7 | Confident | 87.2 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.5 | -41.7 | 178.7 | -55.4 | 78.6 | -172.5 | 0 | 0 | 110.8 | V2421 A2549 S2554 F2555 | V2421-E2551 HydrophobicContact CB-CB 4.16Å; V2421-E2551 HydrophobicContact CG1-CB 3.84Å; V2421-E2551 HydrophobicContact CG2-CB 4.25Å; A2549-E2551 VanDerWaalsContact C-N 3.28Å; A2549-E2551 PolarHBondContact O-N 3.09Å; E2551-S2554 PolarHBondContact O-N 2.69Å; E2551-F2555 WeakPolarHBondContact O-CB 3.39Å; E2551-F2555 PolarHBondContact O-N 3.33Å |
| 2552 | T | 86.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 176.6 | -48 | 0 | 0 | 0 | 0 | 111.5 | V2421 M2546 A2549 S2554 F2555 L2556 | V2421-T2552 WeakPolarHBondContact CG2-OG1 3.29Å; M2546-T2552 HydrophobicContact CB-CG2 3.63Å; M2546-T2552 HydrophobicContact CE-CG2 4.29Å; M2546-T2552 WeakPolarHBondContact O-CB 3.46Å; M2546-T2552 PolarHBondContact O-OG1 3.34Å; A2549-T2552 PolarHBondContact O-N 2.79Å; T2552-S2554 VanDerWaalsContact C-N 3.29Å; T2552-S2554 PolarHBondContact O-N 3.32Å; T2552-F2555 PolarHBondContact O-N 3.22Å; T2552-F2555 VanDerWaalsContact O-N 3.11Å; T2552-L2556 HydrophobicContact CG2-CD1 4.05Å; T2552-L2556 HydrophobicContact CG2-CG 4.31Å; T2552-L2556 WeakPolarHBondContact O-CG 3.31Å; T2552-L2556 PolarHBondContact O-N 2.73Å |
| 2553 | R | 88.1 | Confident | 86.4 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 178.9 | -76.8 | 177.8 | -73.4 | 139.1 | 6.1 | 111.3 | V2547 A2549 P2550 F2555 L2556 L2557 T2596 I2602 | V2547-R2553 HydrophobicContact CB-CG 4.44Å; V2547-R2553 HydrophobicContact CG1-CG 3.87Å; V2547-R2553 WeakPolarHBondContact O-CD 3.45Å; V2547-R2553 WeakPolarHBondContact O-CG 3.35Å; V2547-R2553 PolarHBondContact O-NE 2.64Å; A2549-R2553 PolarHBondContact O-N 3.19Å; P2550-R2553 VanDerWaalsContact CA-NH2 3.31Å; P2550-R2553 PolarHBondContact O-N 2.75Å; R2553-F2555 VanDerWaalsContact C-N 3.32Å; R2553-F2555 PolarHBondContact O-N 3.39Å; R2553-L2556 PolarHBondContact O-N 3Å; R2553-L2557 PolarHBondContact O-N 2.85Å; R2553-L2557 VanDerWaalsContact O-N 3.15Å; R2553-T2596 VanDerWaalsContact NH1-CB 3.28Å; R2553-T2596 PolarHBondContact NH1-OG1 3.05Å; R2553-I2602 HydrophobicContact CB-CD1 4.05Å |
| 2554 | S | 85.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | P2550 E2551 T2552 K2558 | P2550-S2554 WeakPolarHBondContact O-CB 3.46Å; P2550-S2554 PolarHBondContact O-N 3.37Å; P2550-S2554 PolarHBondContact O-OG 3.14Å; E2551-S2554 PolarHBondContact O-N 2.69Å; T2552-S2554 VanDerWaalsContact C-N 3.29Å; T2552-S2554 PolarHBondContact O-N 3.32Å; S2554-K2558 WeakPolarHBondContact O-CG 3.37Å; S2554-K2558 PolarHBondContact O-N 3.22Å |
| 2555 | F | 85.2 | Confident | 85.6 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.2 | -46.3 | 177.3 | -169.7 | -82.3 | 0 | 0 | 0 | 112.4 | S2477 I2479 Q2480 E2551 T2552 R2553 L2557 K2558 S2559 | S2477-F2555 WeakPolarHBondContact OG-CE2 3.34Å; S2477-F2555 WeakPolarHBondContact OG-CZ 3.41Å; I2479-F2555 HydrophobicContact CB-CD1 3.79Å; I2479-F2555 HydrophobicContact CB-CE1 3.7Å; I2479-F2555 HydrophobicContact CB-CG 4.49Å; I2479-F2555 HydrophobicContact CB-CZ 4.35Å; I2479-F2555 HydrophobicContact CD1-CD1 4.43Å; I2479-F2555 HydrophobicContact CD1-CG 4.44Å; I2479-F2555 HydrophobicContact CG2-CD1 3.34Å; I2479-F2555 HydrophobicContact CG2-CE1 3.54Å; I2479-F2555 HydrophobicContact CG2-CG 4.3Å; Q2480-F2555 HydrophobicContact CB-CE1 4.48Å; Q2480-F2555 HydrophobicContact CB-CZ 4.18Å; E2551-F2555 WeakPolarHBondContact O-CB 3.39Å; E2551-F2555 PolarHBondContact O-N 3.33Å; T2552-F2555 PolarHBondContact O-N 3.22Å; T2552-F2555 VanDerWaalsContact O-N 3.11Å; R2553-F2555 VanDerWaalsContact C-N 3.32Å; R2553-F2555 PolarHBondContact O-N 3.39Å; F2555-L2557 PolarHBondContact O-N 3.08Å; F2555-K2558 CarbonylContact O-C 3.6Å; F2555-K2558 WeakPolarHBondContact O-CA 3.41Å; F2555-K2558 WeakPolarHBondContact O-CB 3.43Å; F2555-K2558 PolarHBondContact O-N 3.02Å; F2555-S2559 PolarHBondContact O-N 3.12Å |
| 2556 | L | 84.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -33.4 | 179.1 | -72.4 | 171.4 | 0 | 0 | 0 | 112.5 | L2543 V2547 T2552 R2553 S2559 I2561 | L2543-L2556 HydrophobicContact CD2-CD2 4.08Å; V2547-L2556 HydrophobicContact CG2-CD1 3.49Å; V2547-L2556 VanDerWaalsContact CG2-CD1 3.49Å; T2552-L2556 HydrophobicContact CG2-CD1 4.05Å; T2552-L2556 HydrophobicContact CG2-CG 4.31Å; T2552-L2556 WeakPolarHBondContact O-CG 3.31Å; T2552-L2556 PolarHBondContact O-N 2.73Å; R2553-L2556 PolarHBondContact O-N 3Å; L2556-S2559 PolarHBondContact O-OG 3.24Å; L2556-I2561 HydrophobicContact CB-CG2 4.38Å; L2556-I2561 HydrophobicContact CD2-CG2 3.62Å |
| 2557 | L | 83 | Confident | 84.7 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 44% | 0.44 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 171.3 | -177.2 | 67.4 | 0 | 0 | 0 | 111.4 | R2553 F2555 K2560 I2602 | R2553-L2557 PolarHBondContact O-N 2.85Å; R2553-L2557 VanDerWaalsContact O-N 3.15Å; F2555-L2557 PolarHBondContact O-N 3.08Å; L2557-K2560 PolarHBondContact O-N 3.48Å; L2557-I2602 HydrophobicContact CD1-CG2 4.12Å; L2557-I2602 HydrophobicContact CD2-CG1 4.36Å |
| 2558 | K | 83 | Confident | 84.4 | Confident | 171 Ų | 171 | 50.9 Ų | 50.9 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.8 | -35.9 | 179.5 | -71.7 | 176.3 | -178.5 | 180 | 0 | 113.3 | S2554 F2555 K2560 | S2554-K2558 WeakPolarHBondContact O-CG 3.37Å; S2554-K2558 PolarHBondContact O-N 3.22Å; F2555-K2558 CarbonylContact O-C 3.6Å; F2555-K2558 WeakPolarHBondContact O-CA 3.41Å; F2555-K2558 WeakPolarHBondContact O-CB 3.43Å; F2555-K2558 PolarHBondContact O-N 3.02Å; K2558-K2560 PolarHBondContact O-N 2.97Å |
| 2559 | S | 78.6 | Confident | 84.3 | Confident | 21 Ų | 21 | 48.1 Ų | 48.1 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.3 | 179.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | F2555 L2556 I2561 | F2555-S2559 PolarHBondContact O-N 3.12Å; L2556-S2559 PolarHBondContact O-OG 3.24Å; S2559-I2561 PolarHBondContact O-N 3.25Å; S2559-I2561 VanDerWaalsContact O-N 3.09Å |
| 2560 | K | 81.3 | Confident | 84.1 | Confident | 141 Ų | 141 | 48.1 Ų | 48.1 | 61% | 0.613 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 11.6 | -178.1 | -61.8 | -178.4 | 179.3 | 178.5 | 0 | 114.5 | L2557 K2558 L2562 N2563 | L2557-K2560 PolarHBondContact O-N 3.48Å; K2558-K2560 PolarHBondContact O-N 2.97Å; K2560-L2562 PolarHBondContact O-N 3.19Å; K2560-N2563 WeakPolarHBondContact O-CB 3.44Å; K2560-N2563 PolarHBondContact O-N 2.75Å |
| 2561 | I | 83.4 | Confident | 84 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -64.7 | -29.2 | -179.4 | -161.5 | 151.2 | 0 | 0 | 0 | 112.5 | C2483 I2486 L2556 S2559 N2563 H2564 W2586 | C2483-I2561 HydrophobicContact CB-CD1 3.46Å; C2483-I2561 VanDerWaalsContact CB-CD1 3.46Å; C2483-I2561 VanDerWaalsContact SG-CD1 3.5Å; I2486-I2561 HydrophobicContact CB-CD1 4.21Å; I2486-I2561 HydrophobicContact CD1-CD1 3.54Å; I2486-I2561 HydrophobicContact CD1-CG1 4.39Å; I2486-I2561 HydrophobicContact CG1-CD1 4.03Å; L2556-I2561 HydrophobicContact CB-CG2 4.38Å; L2556-I2561 HydrophobicContact CD2-CG2 3.62Å; S2559-I2561 PolarHBondContact O-N 3.25Å; S2559-I2561 VanDerWaalsContact O-N 3.09Å; I2561-N2563 PolarHBondContact O-N 3.32Å; I2561-H2564 WeakPolarHBondContact O-CB 3.31Å; I2561-H2564 PolarHBondContact O-CD2 3.38Å; I2561-H2564 VanDerWaalsContact O-CD2 3.3Å; I2561-H2564 PolarHBondContact O-N 2.77Å; I2561-W2586 HydrophobicContact CG1-CH2 4.33Å |
| 2562 | L | 84.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -66.1 | -18.7 | 175.4 | -60.8 | 179.1 | 0 | 0 | 0 | 112.8 | K2560 H2564 I2565 I2593 I2602 Q2606 | K2560-L2562 PolarHBondContact O-N 3.19Å; L2562-H2564 PolarHBondContact O-N 3.13Å; L2562-I2565 HydrophobicContact CB-CD1 4.25Å; L2562-I2565 HydrophobicContact CD2-CD1 3.93Å; L2562-I2565 WeakPolarHBondContact O-CB 3.49Å; L2562-I2565 VanDerWaalsContact O-CG1 3.27Å; L2562-I2565 WeakPolarHBondContact O-CG1 3.48Å; L2562-I2565 PolarHBondContact O-N 2.77Å; L2562-I2593 HydrophobicContact CD2-CD1 3.86Å; L2562-I2602 HydrophobicContact CD1-CG2 3.38Å; L2562-Q2606 HydrophobicContact CB-CG 4.42Å; L2562-Q2606 PolarHBondContact O-OE1 3.23Å |
| 2563 | N | 84 | Confident | 83.8 | Confident | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -63.9 | -27.2 | 175.5 | -65.1 | -2.7 | 0 | 0 | 0 | 111.6 | K2560 I2561 I2565 S2566 | K2560-N2563 WeakPolarHBondContact O-CB 3.44Å; K2560-N2563 PolarHBondContact O-N 2.75Å; I2561-N2563 PolarHBondContact O-N 3.32Å; N2563-I2565 PolarHBondContact O-N 2.92Å; N2563-S2566 WeakPolarHBondContact O-CB 3.48Å; N2563-S2566 PolarHBondContact O-N 2.9Å; N2563-S2566 PolarHBondContact O-OG 2.88Å |
| 2564 | H | 82.6 | Confident | 83.6 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 25% | 0.25 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -63.6 | -19 | 174.4 | -65.9 | -61.2 | 0 | 0 | 0 | 113.1 | I2561 L2562 S2566 E2567 W2586 | I2561-H2564 WeakPolarHBondContact O-CB 3.31Å; I2561-H2564 PolarHBondContact O-CD2 3.38Å; I2561-H2564 VanDerWaalsContact O-CD2 3.3Å; I2561-H2564 PolarHBondContact O-N 2.77Å; L2562-H2564 PolarHBondContact O-N 3.13Å; H2564-S2566 PolarHBondContact O-N 3.44Å; H2564-E2567 IonicContact CE1-OE2 3.52Å; H2564-E2567 IonicContact CG-OE2 3.73Å; H2564-E2567 IonicContact ND1-OE1 2.78Å; H2564-E2567 IonicContact ND1-OE2 3.37Å; H2564-E2567 PolarHBondContact ND1-OE2 3.26Å; H2564-E2567 WeakPolarHBondContact O-CB 3.45Å; H2564-E2567 PolarHBondContact O-N 3.35Å; H2564-E2567 VanDerWaalsContact O-N 3.14Å; H2564-W2586 HydrophobicContact CB-CH2 4.06Å; H2564-W2586 HydrophobicContact CB-CZ2 3.98Å |
| 2565 | I | 84.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -57.8 | -40.2 | 172.5 | -63.6 | 171.9 | 0 | 0 | 0 | 109.7 | L2562 N2563 E2567 L2568 W2586 I2590 L2603 L2609 I2612 | L2562-I2565 HydrophobicContact CB-CD1 4.25Å; L2562-I2565 HydrophobicContact CD2-CD1 3.93Å; L2562-I2565 WeakPolarHBondContact O-CB 3.49Å; L2562-I2565 VanDerWaalsContact O-CG1 3.27Å; L2562-I2565 WeakPolarHBondContact O-CG1 3.48Å; L2562-I2565 PolarHBondContact O-N 2.77Å; N2563-I2565 PolarHBondContact O-N 2.92Å; I2565-E2567 PolarHBondContact O-N 3.11Å; I2565-L2568 WeakPolarHBondContact O-CB 2.89Å; I2565-L2568 PolarHBondContact O-N 2.84Å; I2565-L2568 VanDerWaalsContact O-N 3.08Å; I2565-W2586 HydrophobicContact CD1-CZ3 4.46Å; I2565-W2586 HydrophobicContact CG1-CE3 3.96Å; I2565-W2586 HydrophobicContact CG1-CZ3 3.83Å; I2565-I2590 HydrophobicContact CD1-CD1 4.05Å; I2565-I2590 HydrophobicContact CD1-CG1 3.96Å; I2565-I2590 HydrophobicContact CG1-CD1 4.22Å; I2565-I2590 HydrophobicContact CG2-CD1 4.17Å; I2565-L2603 HydrophobicContact CD1-CD2 4.35Å; I2565-L2609 HydrophobicContact CG2-CD1 4.04Å; I2565-I2612 HydrophobicContact CG2-CD1 4.03Å; I2565-I2612 WeakPolarHBondContact O-CD1 3.45Å |
| 2566 | S | 82.4 | Confident | 83.5 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -67 | -19.3 | -178.1 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | N2563 H2564 P2607 | N2563-S2566 WeakPolarHBondContact O-CB 3.48Å; N2563-S2566 PolarHBondContact O-N 2.9Å; N2563-S2566 PolarHBondContact O-OG 2.88Å; H2564-S2566 PolarHBondContact O-N 3.44Å; S2566-P2607 WeakPolarHBondContact CB-O 3.23Å |
| 2567 | E | 82.1 | Confident | 83.5 | Confident | 84 Ų | 84 | 67 Ų | 67 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -83.6 | -20.4 | 177.1 | -57.9 | 175.3 | 166.7 | 0 | 0 | 111.5 | Y2489 H2564 I2565 N2569 | Y2489-E2567 WeakPolarHBondContact CB-OE2 3.49Å; Y2489-E2567 HydrophobicContact CD2-CB 4.06Å; Y2489-E2567 WeakPolarHBondContact CD2-O 3.2Å; Y2489-E2567 WeakPolarHBondContact CE2-O 3.25Å; Y2489-E2567 HydrophobicContact CG-CB 3.95Å; Y2489-E2567 VanDerWaalsContact CZ-O 3.28Å; H2564-E2567 IonicContact CE1-OE2 3.52Å; H2564-E2567 IonicContact CG-OE2 3.73Å; H2564-E2567 IonicContact ND1-OE1 2.78Å; H2564-E2567 IonicContact ND1-OE2 3.37Å; H2564-E2567 PolarHBondContact ND1-OE2 3.26Å; H2564-E2567 WeakPolarHBondContact O-CB 3.45Å; H2564-E2567 PolarHBondContact O-N 3.35Å; H2564-E2567 VanDerWaalsContact O-N 3.14Å; I2565-E2567 PolarHBondContact O-N 3.11Å; E2567-N2569 PolarHBondContact O-N 3.33Å |
| 2568 | L | 84.4 | Confident | 83.4 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | trans | -67.1 | 116.4 | -178.4 | -61.1 | 172.7 | 0 | 0 | 0 | 110.5 | I2565 P2570 L2573 W2586 I2612 | I2565-L2568 WeakPolarHBondContact O-CB 2.89Å; I2565-L2568 PolarHBondContact O-N 2.84Å; I2565-L2568 VanDerWaalsContact O-N 3.08Å; L2568-P2570 WeakPolarHBondContact O-CD 3.45Å; L2568-L2573 HydrophobicContact CB-CD1 4.33Å; L2568-L2573 HydrophobicContact CD2-CD1 3.86Å; L2568-W2586 HydrophobicContact CD1-CB 3.77Å; L2568-W2586 HydrophobicContact CD1-CD2 4.05Å; L2568-W2586 HydrophobicContact CD1-CG 3.68Å; L2568-W2586 HydrophobicContact CD2-CG 4.33Å; L2568-I2612 HydrophobicContact CB-CD1 4.26Å; L2568-I2612 WeakPolarHBondContact O-CD1 3.38Å; L2568-I2612 WeakPolarHBondContact O-CG1 3.2Å | ||
| 2569 | N | 86.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 56 Ų | 56 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | trans | -109.9 | 100.7 | 168.9 | -176.4 | -16.6 | 0 | 0 | 0 | 110 | E2567 R2571 T2572 L2573 | E2567-N2569 PolarHBondContact O-N 3.33Å; N2569-R2571 VanDerWaalsContact C-N 3.28Å; N2569-R2571 PolarHBondContact O-N 3.31Å; N2569-R2571 PolarHBondContact OD1-N 2.9Å; N2569-T2572 HydrophobicContact CB-CG2 4.26Å; N2569-T2572 WeakPolarHBondContact CB-OG1 3.25Å; N2569-T2572 PolarHBondContact O-N 3.2Å; N2569-T2572 PolarHBondContact O-OG1 3.33Å; N2569-L2573 PolarHBondContact O-N 3.13Å; N2569-L2573 VanDerWaalsContact O-N 3.11Å | ||
| 2570 | P | 83.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49.6 | -49.5 | -177.5 | -28.5 | 34.5 | 0 | 0 | 0 | 111.6 | L2568 T2572 L2573 I2574 L2583 I2612 N2615 | L2568-P2570 WeakPolarHBondContact O-CD 3.45Å; P2570-T2572 PolarHBondContact O-N 2.67Å; P2570-L2573 PolarHBondContact O-N 3.16Å; P2570-I2574 WeakPolarHBondContact O-CG1 3.45Å; P2570-I2574 PolarHBondContact O-N 3.22Å; P2570-L2583 HydrophobicContact CB-CD2 4.13Å; P2570-L2583 HydrophobicContact CG-CD1 4.49Å; P2570-I2612 HydrophobicContact CG-CB 4.38Å; P2570-I2612 HydrophobicContact CG-CG2 3.83Å; P2570-N2615 HydrophobicContact CB-CB 4.08Å; P2570-N2615 HydrophobicContact CG-CB 3.99Å |
| 2571 | R | 85 | Confident | 84.1 | Confident | 137 Ų | 137 | 52.1 Ų | 52.1 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.3 | -26.3 | -176.5 | -62.4 | -172.9 | -174.2 | 179 | 2.8 | 114.3 | N2569 K2575 N2615 | N2569-R2571 VanDerWaalsContact C-N 3.28Å; N2569-R2571 PolarHBondContact O-N 3.31Å; N2569-R2571 PolarHBondContact OD1-N 2.9Å; R2571-K2575 WeakPolarHBondContact O-CE 3.39Å; R2571-N2615 PolarHBondContact NE-OD1 2.92Å; R2571-N2615 PolarHBondContact NH2-OD1 3.42Å |
| 2572 | T | 84.9 | Confident | 84.2 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -87 | -41.9 | 175.1 | 63 | 0 | 0 | 0 | 0 | 111.6 | Y2489 N2569 P2570 I2574 K2575 | Y2489-T2572 PolarHBondContact OH-OG1 3.46Å; N2569-T2572 HydrophobicContact CB-CG2 4.26Å; N2569-T2572 WeakPolarHBondContact CB-OG1 3.25Å; N2569-T2572 PolarHBondContact O-N 3.2Å; N2569-T2572 PolarHBondContact O-OG1 3.33Å; P2570-T2572 PolarHBondContact O-N 2.67Å; T2572-I2574 PolarHBondContact O-N 2.97Å; T2572-K2575 WeakPolarHBondContact O-CB 3.48Å; T2572-K2575 PolarHBondContact O-N 3.42Å |
| 2573 | L | 83.6 | Confident | 84.4 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | -176.5 | -70.3 | 170.3 | 0 | 0 | 0 | 112.9 | Y2489 L2568 N2569 P2570 K2575 S2576 G2579 H2580 L2583 | Y2489-L2573 HydrophobicContact CE2-CD2 4.45Å; L2568-L2573 HydrophobicContact CB-CD1 4.33Å; L2568-L2573 HydrophobicContact CD2-CD1 3.86Å; N2569-L2573 PolarHBondContact O-N 3.13Å; N2569-L2573 VanDerWaalsContact O-N 3.11Å; P2570-L2573 PolarHBondContact O-N 3.16Å; L2573-K2575 PolarHBondContact O-N 2.91Å; L2573-S2576 PolarHBondContact O-N 3.2Å; L2573-S2576 VanDerWaalsContact O-O 3.13Å; L2573-G2579 CarbonylContact O-C 3.35Å; L2573-G2579 VanDerWaalsContact O-CA 3.29Å; L2573-G2579 WeakPolarHBondContact O-CA 3.49Å; L2573-H2580 PolarHBondContact O-N 3.14Å; L2573-L2583 HydrophobicContact CB-CB 4.45Å; L2573-L2583 HydrophobicContact CD1-CB 4.36Å; L2573-L2583 HydrophobicContact CD1-CD1 4.34Å |
| 2574 | I | 84.6 | Confident | 84.8 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15 | 176.8 | 4.2 | 173.3 | 0 | 0 | 0 | 113.2 | P2570 T2572 S2576 H2580 H2619 | P2570-I2574 WeakPolarHBondContact O-CG1 3.45Å; P2570-I2574 PolarHBondContact O-N 3.22Å; T2572-I2574 PolarHBondContact O-N 2.97Å; I2574-S2576 VanDerWaalsContact C-N 3.28Å; I2574-S2576 PolarHBondContact O-N 2.77Å; I2574-H2580 WeakPolarHBondContact CG2-ND1 3.45Å; I2574-H2619 HydrophobicContact CD1-CB 3.62Å; I2574-H2619 VanDerWaalsContact CD1-O 3.27Å; I2574-H2619 WeakPolarHBondContact CD1-O 3.5Å |
| 2575 | K | 84.8 | Confident | 85.2 | Confident | 183 Ų | 183 | 47.3 Ų | 47.3 | 80% | 0.796 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.7 | 179.9 | -62.3 | -177.4 | 178.5 | -175.8 | 0 | 113.1 | R2571 T2572 L2573 | R2571-K2575 WeakPolarHBondContact O-CE 3.39Å; T2572-K2575 WeakPolarHBondContact O-CB 3.48Å; T2572-K2575 PolarHBondContact O-N 3.42Å; L2573-K2575 PolarHBondContact O-N 2.91Å |
| 2576 | S | 83.1 | Confident | 85.6 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -120.4 | 150.1 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | E2496 L2573 I2574 R2578 G2579 H2580 | E2496-S2576 WeakPolarHBondContact OE2-CB 3.25Å; L2573-S2576 PolarHBondContact O-N 3.2Å; L2573-S2576 VanDerWaalsContact O-O 3.13Å; I2574-S2576 VanDerWaalsContact C-N 3.28Å; I2574-S2576 PolarHBondContact O-N 2.77Å; S2576-R2578 VanDerWaalsContact C-N 3.31Å; S2576-R2578 PolarHBondContact O-N 3.19Å; S2576-G2579 PolarHBondContact O-N 2.87Å; S2576-G2579 WeakPolarHBondContact OG-CA 3.2Å; S2576-G2579 PolarHBondContact OG-N 2.95Å; S2576-H2580 WeakPolarHBondContact O-CB 3.39Å; S2576-H2580 PolarHBondContact O-N 3.44Å |
| 2577 | R | 84.1 | Confident | 86.1 | Confident | 200 Ų | 200 | 45.8 Ų | 45.8 | 76% | 0.755 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -58.6 | -45.4 | 176.1 | 175.1 | -178.2 | 166.9 | 170.2 | -2.8 | 110.8 | H2580 F2581 | R2577-H2580 PolarHBondContact O-N 3.4Å; R2577-F2581 PolarHBondContact O-N 2.73Å |
| 2578 | R | 79.9 | Confident | 86.7 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70 | -40.8 | -178.4 | -165.3 | 174.3 | 176.7 | 98.2 | -15.2 | 111.9 | E2533 S2576 H2580 F2581 I2582 | E2533-R2578 IonicContact OE1-NH1 3.43Å; E2533-R2578 PolarHBondContact OE1-NH1 3.48Å; S2576-R2578 VanDerWaalsContact C-N 3.31Å; S2576-R2578 PolarHBondContact O-N 3.19Å; R2578-H2580 VanDerWaalsContact C-N 3.32Å; R2578-H2580 PolarHBondContact O-N 2.83Å; R2578-F2581 WeakPolarHBondContact O-CB 3.45Å; R2578-F2581 PolarHBondContact O-N 3.24Å; R2578-I2582 HydrophobicContact CG-CD1 4.12Å; R2578-I2582 WeakPolarHBondContact O-CD1 3.37Å; R2578-I2582 WeakPolarHBondContact O-CG1 3.32Å; R2578-I2582 PolarHBondContact O-N 3.25Å |
| 2579 | G | 83 | Confident | 87.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2573 S2576 I2582 L2583 | L2573-G2579 CarbonylContact O-C 3.35Å; L2573-G2579 VanDerWaalsContact O-CA 3.29Å; L2573-G2579 WeakPolarHBondContact O-CA 3.49Å; S2576-G2579 PolarHBondContact O-N 2.87Å; S2576-G2579 WeakPolarHBondContact OG-CA 3.2Å; S2576-G2579 PolarHBondContact OG-N 2.95Å; G2579-I2582 PolarHBondContact O-N 3.04Å; G2579-L2583 WeakPolarHBondContact O-CB 3.19Å; G2579-L2583 PolarHBondContact O-N 3.12Å |
| 2580 | H | 86.8 | Confident | 87.4 | Confident | 33 Ų | 33 | 42 Ų | 42 | 15% | 0.153 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.6 | -174.7 | 72 | 0 | 0 | 0 | 112.7 | L2573 I2574 S2576 R2577 R2578 I2582 L2583 T2584 N2624 | L2573-H2580 PolarHBondContact O-N 3.14Å; I2574-H2580 WeakPolarHBondContact CG2-ND1 3.45Å; S2576-H2580 WeakPolarHBondContact O-CB 3.39Å; S2576-H2580 PolarHBondContact O-N 3.44Å; R2577-H2580 PolarHBondContact O-N 3.4Å; R2578-H2580 VanDerWaalsContact C-N 3.32Å; R2578-H2580 PolarHBondContact O-N 2.83Å; H2580-I2582 PolarHBondContact O-N 3.45Å; H2580-L2583 PolarHBondContact O-N 2.74Å; H2580-T2584 PolarHBondContact O-N 2.86Å; H2580-T2584 PolarHBondContact O-OG1 2.65Å; H2580-N2624 PolarHBondContact CE1-ND2 3.07Å |
| 2581 | F | 88.1 | Confident | 87.9 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 174.6 | 171.1 | -108.3 | 0 | 0 | 0 | 111.7 | E2533 K2537 R2577 R2578 L2583 T2584 L2585 | E2533-F2581 HydrophobicContact CB-CE1 3.88Å; E2533-F2581 HydrophobicContact CB-CZ 4.07Å; E2533-F2581 HydrophobicContact CG-CD1 4.23Å; E2533-F2581 HydrophobicContact CG-CE1 3.94Å; E2533-F2581 WeakPolarHBondContact O-CZ 3.09Å; K2537-F2581 HydrophobicContact CB-CZ 4.19Å; R2577-F2581 PolarHBondContact O-N 2.73Å; R2578-F2581 WeakPolarHBondContact O-CB 3.45Å; R2578-F2581 PolarHBondContact O-N 3.24Å; F2581-L2583 PolarHBondContact O-N 3.2Å; F2581-T2584 VanDerWaalsContact O-CB 3.27Å; F2581-T2584 WeakPolarHBondContact O-CB 3.23Å; F2581-T2584 PolarHBondContact O-N 3.17Å; F2581-L2585 HydrophobicContact CD1-CD1 4.27Å; F2581-L2585 HydrophobicContact CE1-CD1 3.65Å; F2581-L2585 HydrophobicContact CE1-CG 4.43Å; F2581-L2585 HydrophobicContact CE2-CD1 4.32Å; F2581-L2585 HydrophobicContact CE2-CD2 4.34Å; F2581-L2585 HydrophobicContact CE2-CG 4.37Å; F2581-L2585 HydrophobicContact CZ-CD1 3.69Å; F2581-L2585 HydrophobicContact CZ-CD2 4.35Å; F2581-L2585 HydrophobicContact CZ-CG 4.21Å; F2581-L2585 PolarHBondContact O-N 2.62Å; F2581-L2585 VanDerWaalsContact O-N 3.12Å |
| 2582 | I | 85.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -42.4 | 179.2 | -67.1 | 154.7 | 0 | 0 | 0 | 111.6 | F2492 R2578 G2579 H2580 T2584 L2585 W2586 | F2492-I2582 HydrophobicContact CB-CD1 3.78Å; F2492-I2582 HydrophobicContact CD1-CD1 3.1Å; F2492-I2582 HydrophobicContact CD1-CG1 4.06Å; F2492-I2582 HydrophobicContact CD2-CD1 4.42Å; F2492-I2582 HydrophobicContact CE1-CD1 3.56Å; F2492-I2582 HydrophobicContact CE1-CG1 4.02Å; F2492-I2582 HydrophobicContact CE1-CG2 4.36Å; F2492-I2582 HydrophobicContact CE2-CG2 4.45Å; F2492-I2582 HydrophobicContact CG-CD1 3.56Å; F2492-I2582 HydrophobicContact CZ-CD1 4.45Å; F2492-I2582 HydrophobicContact CZ-CG2 4.27Å; R2578-I2582 HydrophobicContact CG-CD1 4.12Å; R2578-I2582 WeakPolarHBondContact O-CD1 3.37Å; R2578-I2582 WeakPolarHBondContact O-CG1 3.32Å; R2578-I2582 PolarHBondContact O-N 3.25Å; G2579-I2582 PolarHBondContact O-N 3.04Å; H2580-I2582 PolarHBondContact O-N 3.45Å; I2582-T2584 PolarHBondContact O-N 3.2Å; I2582-L2585 PolarHBondContact O-N 3.26Å; I2582-W2586 PolarHBondContact O-N 2.94Å |
| 2583 | L | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 175.7 | -178.6 | 62.6 | 0 | 0 | 0 | 111.1 | P2570 L2573 G2579 H2580 F2581 W2586 L2587 | P2570-L2583 HydrophobicContact CB-CD2 4.13Å; P2570-L2583 HydrophobicContact CG-CD1 4.49Å; L2573-L2583 HydrophobicContact CB-CB 4.45Å; L2573-L2583 HydrophobicContact CD1-CB 4.36Å; L2573-L2583 HydrophobicContact CD1-CD1 4.34Å; G2579-L2583 WeakPolarHBondContact O-CB 3.19Å; G2579-L2583 PolarHBondContact O-N 3.12Å; H2580-L2583 PolarHBondContact O-N 2.74Å; F2581-L2583 PolarHBondContact O-N 3.2Å; L2583-W2586 PolarHBondContact O-N 3.46Å; L2583-L2587 HydrophobicContact CD1-CD1 4.31Å; L2583-L2587 HydrophobicContact CD1-CG 4.3Å; L2583-L2587 HydrophobicContact CG-CD1 4.04Å; L2583-L2587 HydrophobicContact CG-CG 4.45Å; L2583-L2587 WeakPolarHBondContact O-CB 3.29Å; L2583-L2587 VanDerWaalsContact O-CG 3.28Å; L2583-L2587 WeakPolarHBondContact O-CG 3.33Å; L2583-L2587 PolarHBondContact O-N 3.22Å |
| 2584 | T | 91.9 | Very high | 89.1 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 18% | 0.184 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 176.3 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | H2580 F2581 I2582 W2586 L2587 Q2588 N2624 | H2580-T2584 PolarHBondContact O-N 2.86Å; H2580-T2584 PolarHBondContact O-OG1 2.65Å; F2581-T2584 VanDerWaalsContact O-CB 3.27Å; F2581-T2584 WeakPolarHBondContact O-CB 3.23Å; F2581-T2584 PolarHBondContact O-N 3.17Å; I2582-T2584 PolarHBondContact O-N 3.2Å; T2584-W2586 PolarHBondContact O-N 3.07Å; T2584-L2587 PolarHBondContact O-N 3.06Å; T2584-Q2588 WeakPolarHBondContact O-CG 3.49Å; T2584-Q2588 PolarHBondContact O-N 3.23Å; T2584-N2624 WeakPolarHBondContact CA-OD1 3.49Å; T2584-N2624 WeakPolarHBondContact CG2-OD1 3.18Å; T2584-N2624 PolarHBondContact OG1-ND2 3.01Å; T2584-N2624 PolarHBondContact OG1-OD1 3.28Å |
| 2585 | L | 91.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | 179 | -64.8 | -178.9 | 0 | 0 | 0 | 112.5 | K2537 F2540 F2581 I2582 Q2588 L2589 | K2537-L2585 HydrophobicContact CB-CD2 4.42Å; K2537-L2585 HydrophobicContact CG-CD2 4.28Å; F2540-L2585 HydrophobicContact CB-CB 4.03Å; F2540-L2585 HydrophobicContact CB-CD1 4.43Å; F2540-L2585 HydrophobicContact CB-CD2 4.19Å; F2540-L2585 HydrophobicContact CB-CG 4.45Å; F2540-L2585 HydrophobicContact CD1-CB 3.77Å; F2540-L2585 WeakPolarHBondContact CD1-O 3.28Å; F2540-L2585 HydrophobicContact CD2-CB 3.97Å; F2540-L2585 HydrophobicContact CD2-CD1 3.79Å; F2540-L2585 HydrophobicContact CD2-CG 4.45Å; F2540-L2585 HydrophobicContact CE1-CB 4.18Å; F2540-L2585 HydrophobicContact CE2-CB 4.36Å; F2540-L2585 HydrophobicContact CE2-CD1 4.28Å; F2540-L2585 HydrophobicContact CG-CB 3.65Å; F2540-L2585 HydrophobicContact CG-CD1 4.18Å; F2540-L2585 HydrophobicContact CG-CG 4.38Å; F2540-L2585 HydrophobicContact CZ-CB 4.46Å; F2581-L2585 HydrophobicContact CD1-CD1 4.27Å; F2581-L2585 HydrophobicContact CE1-CD1 3.65Å; F2581-L2585 HydrophobicContact CE1-CG 4.43Å; F2581-L2585 HydrophobicContact CE2-CD1 4.32Å; F2581-L2585 HydrophobicContact CE2-CD2 4.34Å; F2581-L2585 HydrophobicContact CE2-CG 4.37Å; F2581-L2585 HydrophobicContact CZ-CD1 3.69Å; F2581-L2585 HydrophobicContact CZ-CD2 4.35Å; F2581-L2585 HydrophobicContact CZ-CG 4.21Å; F2581-L2585 PolarHBondContact O-N 2.62Å; F2581-L2585 VanDerWaalsContact O-N 3.12Å; I2582-L2585 PolarHBondContact O-N 3.26Å; L2585-Q2588 PolarHBondContact O-N 3.39Å; L2585-L2589 PolarHBondContact O-N 3.15Å |
| 2586 | W | 92.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.5 | -85 | 106.1 | 0 | 0 | 0 | 112.3 | I2486 F2540 I2561 H2564 I2565 L2568 I2582 L2583 T2584 Q2588 L2589 I2590 | I2486-W2586 HydrophobicContact CG2-CZ2 4.17Å; F2540-W2586 AromaticContact CE1-CD2 3.66Å; F2540-W2586 HydrophobicContact CE1-CD2 3.66Å; F2540-W2586 AromaticContact CE1-CE2 3.8Å; F2540-W2586 HydrophobicContact CE1-CE3 4.08Å; F2540-W2586 AromaticContact CE1-CG 3.86Å; F2540-W2586 HydrophobicContact CE1-CG 3.86Å; F2540-W2586 HydrophobicContact CE1-CZ2 4.34Å; F2540-W2586 AromaticContact CZ-CD1 3.91Å; F2540-W2586 AromaticContact CZ-CD2 3.99Å; F2540-W2586 HydrophobicContact CZ-CD2 3.99Å; F2540-W2586 AromaticContact CZ-CE2 3.62Å; F2540-W2586 HydrophobicContact CZ-CG 4.18Å; F2540-W2586 HydrophobicContact CZ-CZ2 4.06Å; F2540-W2586 AromaticContact CZ-NE1 3.58Å; I2561-W2586 HydrophobicContact CG1-CH2 4.33Å; H2564-W2586 HydrophobicContact CB-CH2 4.06Å; H2564-W2586 HydrophobicContact CB-CZ2 3.98Å; I2565-W2586 HydrophobicContact CD1-CZ3 4.46Å; I2565-W2586 HydrophobicContact CG1-CE3 3.96Å; I2565-W2586 HydrophobicContact CG1-CZ3 3.83Å; L2568-W2586 HydrophobicContact CD1-CB 3.77Å; L2568-W2586 HydrophobicContact CD1-CD2 4.05Å; L2568-W2586 HydrophobicContact CD1-CG 3.68Å; L2568-W2586 HydrophobicContact CD2-CG 4.33Å; I2582-W2586 PolarHBondContact O-N 2.94Å; L2583-W2586 PolarHBondContact O-N 3.46Å; T2584-W2586 PolarHBondContact O-N 3.07Å; W2586-Q2588 VanDerWaalsContact C-N 3.31Å; W2586-Q2588 PolarHBondContact O-N 3.33Å; W2586-L2589 HydrophobicContact CE3-CD2 4.26Å; W2586-L2589 HydrophobicContact CZ3-CD2 4.13Å; W2586-L2589 PolarHBondContact O-N 3.47Å; W2586-I2590 WeakPolarHBondContact O-CB 3.41Å; W2586-I2590 VanDerWaalsContact O-CG1 3.22Å; W2586-I2590 WeakPolarHBondContact O-CG1 2.96Å; W2586-I2590 PolarHBondContact O-N 3.39Å |
| 2587 | L | 93 | Very high | 89.8 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.2 | -73.7 | 173.7 | 0 | 0 | 0 | 111.3 | L2583 T2584 L2589 I2590 L2591 L2613 N2624 T2627 A2628 I2631 | L2583-L2587 HydrophobicContact CD1-CD1 4.31Å; L2583-L2587 HydrophobicContact CD1-CG 4.3Å; L2583-L2587 HydrophobicContact CG-CD1 4.04Å; L2583-L2587 HydrophobicContact CG-CG 4.45Å; L2583-L2587 WeakPolarHBondContact O-CB 3.29Å; L2583-L2587 VanDerWaalsContact O-CG 3.28Å; L2583-L2587 WeakPolarHBondContact O-CG 3.33Å; L2583-L2587 PolarHBondContact O-N 3.22Å; T2584-L2587 PolarHBondContact O-N 3.06Å; L2587-L2589 PolarHBondContact O-N 3.2Å; L2587-I2590 PolarHBondContact O-N 3.19Å; L2587-L2591 VanDerWaalsContact O-CB 3.29Å; L2587-L2591 WeakPolarHBondContact O-CB 3Å; L2587-L2591 PolarHBondContact O-N 3.09Å; L2587-L2613 HydrophobicContact CD2-CD2 4.33Å; L2587-N2624 HydrophobicContact CD1-CB 3.75Å; L2587-T2627 HydrophobicContact CB-CG2 3.8Å; L2587-A2628 HydrophobicContact CD2-CB 4.27Å; L2587-I2631 HydrophobicContact CD2-CD1 4.02Å |
| 2588 | Q | 93.7 | Very high | 90 | Very high | 73 Ų | 73 | 32 Ų | 32 | 34% | 0.341 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 175 | -74 | 176.3 | -9.9 | 0 | 0 | 112.7 | T2584 L2585 W2586 L2591 N2592 | T2584-Q2588 WeakPolarHBondContact O-CG 3.49Å; T2584-Q2588 PolarHBondContact O-N 3.23Å; L2585-Q2588 PolarHBondContact O-N 3.39Å; W2586-Q2588 VanDerWaalsContact C-N 3.31Å; W2586-Q2588 PolarHBondContact O-N 3.33Å; Q2588-L2591 PolarHBondContact O-N 3.13Å; Q2588-N2592 PolarHBondContact O-N 3.29Å; Q2588-N2592 PolarHBondContact O-ND2 2.85Å |
| 2589 | L | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | 175.5 | -179.8 | 61.9 | 0 | 0 | 0 | 111.6 | F2540 L2543 A2544 V2547 L2585 W2586 L2587 L2591 N2592 I2593 | F2540-L2589 HydrophobicContact CD1-CB 4.13Å; F2540-L2589 HydrophobicContact CD1-CD2 4.16Å; F2540-L2589 HydrophobicContact CE1-CD2 4.17Å; L2543-L2589 HydrophobicContact CB-CD1 3.76Å; A2544-L2589 HydrophobicContact CB-CD1 4.38Å; V2547-L2589 HydrophobicContact CG2-CD1 4.03Å; L2585-L2589 PolarHBondContact O-N 3.15Å; W2586-L2589 HydrophobicContact CE3-CD2 4.26Å; W2586-L2589 HydrophobicContact CZ3-CD2 4.13Å; W2586-L2589 PolarHBondContact O-N 3.47Å; L2587-L2589 PolarHBondContact O-N 3.2Å; L2589-L2591 VanDerWaalsContact C-N 3.29Å; L2589-L2591 PolarHBondContact O-N 3.15Å; L2589-N2592 PolarHBondContact O-N 3.04Å; L2589-I2593 HydrophobicContact CG-CD1 4.2Å; L2589-I2593 WeakPolarHBondContact O-CG1 3.28Å; L2589-I2593 PolarHBondContact O-N 3.38Å |
| 2590 | I | 93.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 178.4 | -66.8 | 165.5 | 0 | 0 | 0 | 110.7 | I2565 W2586 L2587 N2592 I2593 S2594 L2603 L2609 I2631 | I2565-I2590 HydrophobicContact CD1-CD1 4.05Å; I2565-I2590 HydrophobicContact CD1-CG1 3.96Å; I2565-I2590 HydrophobicContact CG1-CD1 4.22Å; I2565-I2590 HydrophobicContact CG2-CD1 4.17Å; W2586-I2590 WeakPolarHBondContact O-CB 3.41Å; W2586-I2590 VanDerWaalsContact O-CG1 3.22Å; W2586-I2590 WeakPolarHBondContact O-CG1 2.96Å; W2586-I2590 PolarHBondContact O-N 3.39Å; L2587-I2590 PolarHBondContact O-N 3.19Å; I2590-N2592 VanDerWaalsContact C-N 3.34Å; I2590-N2592 PolarHBondContact O-N 3.29Å; I2590-I2593 PolarHBondContact O-N 2.93Å; I2590-S2594 WeakPolarHBondContact O-CB 3.34Å; I2590-S2594 PolarHBondContact O-N 3.47Å; I2590-L2603 HydrophobicContact CG1-CD2 4.4Å; I2590-L2603 HydrophobicContact CG2-CD1 3.93Å; I2590-L2603 HydrophobicContact CG2-CD2 3.91Å; I2590-L2609 HydrophobicContact CD1-CD1 4.36Å; I2590-L2609 HydrophobicContact CG2-CD1 4.39Å; I2590-I2631 HydrophobicContact CB-CD1 4.01Å; I2590-I2631 HydrophobicContact CG2-CD1 3.72Å; I2590-I2631 HydrophobicContact CG2-CG1 4.12Å; I2590-I2631 HydrophobicContact CG2-CG2 3.77Å |
| 2591 | L | 94.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 17% | 0.173 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.5 | -49.6 | 174.4 | 177.9 | 67.3 | 0 | 0 | 0 | 111 | L2587 Q2588 L2589 I2593 S2594 F2595 T2627 V2630 I2631 | L2587-L2591 VanDerWaalsContact O-CB 3.29Å; L2587-L2591 WeakPolarHBondContact O-CB 3Å; L2587-L2591 PolarHBondContact O-N 3.09Å; Q2588-L2591 PolarHBondContact O-N 3.13Å; L2589-L2591 VanDerWaalsContact C-N 3.29Å; L2589-L2591 PolarHBondContact O-N 3.15Å; L2591-I2593 VanDerWaalsContact C-N 3.35Å; L2591-I2593 PolarHBondContact O-N 3.46Å; L2591-S2594 PolarHBondContact O-N 2.98Å; L2591-S2594 VanDerWaalsContact O-N 3.13Å; L2591-S2594 PolarHBondContact O-OG 3.09Å; L2591-F2595 HydrophobicContact CD1-CE2 4.09Å; L2591-F2595 HydrophobicContact CD1-CZ 4.15Å; L2591-F2595 HydrophobicContact CG-CE2 3.91Å; L2591-F2595 HydrophobicContact CG-CZ 4.39Å; L2591-F2595 VanDerWaalsContact O-CD2 3.32Å; L2591-F2595 WeakPolarHBondContact O-CD2 3.41Å; L2591-T2627 HydrophobicContact CB-CG2 4.13Å; L2591-T2627 HydrophobicContact CD2-CG2 4.12Å; L2591-V2630 HydrophobicContact CD1-CB 3.9Å; L2591-V2630 HydrophobicContact CD1-CG1 3.5Å; L2591-I2631 HydrophobicContact CB-CD1 4.17Å; L2591-I2631 HydrophobicContact CB-CG1 3.88Å; L2591-I2631 HydrophobicContact CD1-CG1 3.94Å |
| 2592 | N | 93.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.6 | -78.9 | -79.2 | 0 | 0 | 0 | 112.6 | A2544 W2548 Q2588 L2589 I2590 S2594 | A2544-N2592 HydrophobicContact CB-CB 4.26Å; W2548-N2592 PolarHBondContact NE1-OD1 2.99Å; Q2588-N2592 PolarHBondContact O-N 3.29Å; Q2588-N2592 PolarHBondContact O-ND2 2.85Å; L2589-N2592 PolarHBondContact O-N 3.04Å; I2590-N2592 VanDerWaalsContact C-N 3.34Å; I2590-N2592 PolarHBondContact O-N 3.29Å; N2592-S2594 VanDerWaalsContact C-N 3.3Å; N2592-S2594 PolarHBondContact O-N 3.07Å |
| 2593 | I | 92.5 | Very high | 91 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.9 | -60.7 | 166.1 | 0 | 0 | 0 | 110.8 | V2547 L2562 L2589 I2590 L2591 F2595 T2596 G2599 L2603 | V2547-I2593 HydrophobicContact CB-CG1 4.26Å; V2547-I2593 HydrophobicContact CG1-CB 3.99Å; V2547-I2593 HydrophobicContact CG1-CG1 3.43Å; V2547-I2593 VanDerWaalsContact CG1-CG1 3.43Å; V2547-I2593 HydrophobicContact CG2-CD1 4.44Å; V2547-I2593 HydrophobicContact CG2-CG1 3.79Å; L2562-I2593 HydrophobicContact CD2-CD1 3.86Å; L2589-I2593 HydrophobicContact CG-CD1 4.2Å; L2589-I2593 WeakPolarHBondContact O-CG1 3.28Å; L2589-I2593 PolarHBondContact O-N 3.38Å; I2590-I2593 PolarHBondContact O-N 2.93Å; L2591-I2593 VanDerWaalsContact C-N 3.35Å; L2591-I2593 PolarHBondContact O-N 3.46Å; I2593-F2595 VanDerWaalsContact C-N 3.26Å; I2593-F2595 PolarHBondContact O-N 3.17Å; I2593-T2596 PolarHBondContact O-N 3.33Å; I2593-T2596 PolarHBondContact O-OG1 3.3Å; I2593-G2599 WeakPolarHBondContact O-CA 3.44Å; I2593-L2603 HydrophobicContact CB-CD1 3.97Å; I2593-L2603 HydrophobicContact CB-CD2 4.37Å; I2593-L2603 HydrophobicContact CB-CG 4.22Å; I2593-L2603 HydrophobicContact CD1-CD2 4.37Å; I2593-L2603 HydrophobicContact CG2-CD1 3.77Å; I2593-L2603 HydrophobicContact CG2-CD2 4.07Å; I2593-L2603 HydrophobicContact CG2-CG 3.62Å |
| 2594 | S | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -15.8 | -174.2 | 78.2 | 0 | 0 | 0 | 0 | 115.3 | I2590 L2591 N2592 T2596 Q2600 N2634 | I2590-S2594 WeakPolarHBondContact O-CB 3.34Å; I2590-S2594 PolarHBondContact O-N 3.47Å; L2591-S2594 PolarHBondContact O-N 2.98Å; L2591-S2594 VanDerWaalsContact O-N 3.13Å; L2591-S2594 PolarHBondContact O-OG 3.09Å; N2592-S2594 VanDerWaalsContact C-N 3.3Å; N2592-S2594 PolarHBondContact O-N 3.07Å; S2594-T2596 VanDerWaalsContact C-N 3.27Å; S2594-T2596 PolarHBondContact O-N 3.09Å; S2594-Q2600 WeakPolarHBondContact O-CG 3.49Å; S2594-Q2600 PolarHBondContact O-NE2 3.38Å; S2594-N2634 PolarHBondContact OG-ND2 2.92Å |
| 2595 | F | 91.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 40% | 0.399 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.5 | 179 | -77.8 | -64.2 | 0 | 0 | 0 | 113.7 | W2548 L2591 I2593 | W2548-F2595 HydrophobicContact CH2-CB 4.09Å; W2548-F2595 HydrophobicContact CH2-CD2 4.28Å; W2548-F2595 HydrophobicContact CH2-CG 4.26Å; W2548-F2595 HydrophobicContact CZ2-CB 4.45Å; W2548-F2595 HydrophobicContact CZ2-CD2 4.04Å; W2548-F2595 HydrophobicContact CZ2-CG 4.46Å; L2591-F2595 HydrophobicContact CD1-CE2 4.09Å; L2591-F2595 HydrophobicContact CD1-CZ 4.15Å; L2591-F2595 HydrophobicContact CG-CE2 3.91Å; L2591-F2595 HydrophobicContact CG-CZ 4.39Å; L2591-F2595 VanDerWaalsContact O-CD2 3.32Å; L2591-F2595 WeakPolarHBondContact O-CD2 3.41Å; I2593-F2595 VanDerWaalsContact C-N 3.26Å; I2593-F2595 PolarHBondContact O-N 3.17Å |
| 2596 | T | 89.1 | Confident | 89.9 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -103.2 | 141.1 | -177.9 | 65 | 0 | 0 | 0 | 0 | 111.2 | R2553 I2593 S2594 D2598 G2599 Q2600 | R2553-T2596 VanDerWaalsContact NH1-CB 3.28Å; R2553-T2596 PolarHBondContact NH1-OG1 3.05Å; I2593-T2596 PolarHBondContact O-N 3.33Å; I2593-T2596 PolarHBondContact O-OG1 3.3Å; S2594-T2596 VanDerWaalsContact C-N 3.27Å; S2594-T2596 PolarHBondContact O-N 3.09Å; T2596-D2598 VanDerWaalsContact C-N 3.3Å; T2596-D2598 PolarHBondContact O-N 3.2Å; T2596-G2599 PolarHBondContact O-N 3.45Å; T2596-G2599 VanDerWaalsContact O-N 3.09Å; T2596-G2599 WeakPolarHBondContact OG1-CA 3.48Å; T2596-G2599 PolarHBondContact OG1-N 3.41Å; T2596-G2599 VanDerWaalsContact OG1-N 3.12Å; T2596-Q2600 VanDerWaalsContact O-CG 3.3Å; T2596-Q2600 WeakPolarHBondContact O-CG 3.22Å; T2596-Q2600 PolarHBondContact O-N 3.08Å |
| 2597 | K | 86.7 | Confident | 89.4 | Confident | 168 Ų | 168 | 41.4 Ų | 41.4 | 73% | 0.73 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -56.6 | -43.7 | 178.9 | -70 | -176.9 | -179.7 | 175.1 | 0 | 112.6 | G2599 Q2600 H2601 | K2597-G2599 VanDerWaalsContact C-N 3.34Å; K2597-Q2600 WeakPolarHBondContact O-CB 3.41Å; K2597-Q2600 PolarHBondContact O-N 3.14Å; K2597-H2601 PolarHBondContact O-N 3.07Å |
| 2598 | D | 87.9 | Confident | 88.9 | Confident | 90 Ų | 90 | 46 Ų | 46 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.5 | -135.8 | 13.7 | 0 | 0 | 0 | 111.6 | T2596 H2601 I2602 | T2596-D2598 VanDerWaalsContact C-N 3.3Å; T2596-D2598 PolarHBondContact O-N 3.2Å; D2598-H2601 WeakPolarHBondContact O-CB 3.31Å; D2598-H2601 PolarHBondContact O-N 3.1Å; D2598-I2602 WeakPolarHBondContact O-CG1 3.44Å; D2598-I2602 PolarHBondContact O-N 3.45Å |
| 2599 | G | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2593 T2596 K2597 H2601 I2602 L2603 | I2593-G2599 WeakPolarHBondContact O-CA 3.44Å; T2596-G2599 PolarHBondContact O-N 3.45Å; T2596-G2599 VanDerWaalsContact O-N 3.09Å; T2596-G2599 WeakPolarHBondContact OG1-CA 3.48Å; T2596-G2599 PolarHBondContact OG1-N 3.41Å; T2596-G2599 VanDerWaalsContact OG1-N 3.12Å; K2597-G2599 VanDerWaalsContact C-N 3.34Å; G2599-H2601 VanDerWaalsContact C-N 3.29Å; G2599-H2601 PolarHBondContact O-N 2.76Å; G2599-I2602 PolarHBondContact O-N 3.02Å; G2599-L2603 WeakPolarHBondContact O-CB 3.49Å; G2599-L2603 WeakPolarHBondContact O-CG 3.39Å; G2599-L2603 PolarHBondContact O-N 2.95Å |
| 2600 | Q | 90.4 | Very high | 88.3 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 173 | -66.3 | 164.8 | 0.4 | 0 | 0 | 111.5 | S2594 T2596 K2597 L2603 F2604 N2634 L2635 T2637 L2641 | S2594-Q2600 WeakPolarHBondContact O-CG 3.49Å; S2594-Q2600 PolarHBondContact O-NE2 3.38Å; T2596-Q2600 VanDerWaalsContact O-CG 3.3Å; T2596-Q2600 WeakPolarHBondContact O-CG 3.22Å; T2596-Q2600 PolarHBondContact O-N 3.08Å; K2597-Q2600 WeakPolarHBondContact O-CB 3.41Å; K2597-Q2600 PolarHBondContact O-N 3.14Å; Q2600-L2603 PolarHBondContact O-N 3.39Å; Q2600-F2604 WeakPolarHBondContact O-CB 3.41Å; Q2600-F2604 PolarHBondContact O-N 3.38Å; Q2600-N2634 PolarHBondContact NE2-O 3.35Å; Q2600-L2635 HydrophobicContact CB-CD2 4.08Å; Q2600-L2635 HydrophobicContact CG-CD2 4.22Å; Q2600-T2637 PolarHBondContact NE2-OG1 3.15Å; Q2600-L2641 HydrophobicContact CB-CD1 4.25Å |
| 2601 | H | 87.9 | Confident | 88 | Confident | 89 Ų | 89 | 46.8 Ų | 46.8 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.3 | -171.1 | -93.1 | 0 | 0 | 0 | 112.1 | K2597 D2598 G2599 L2603 F2604 N2605 | K2597-H2601 PolarHBondContact O-N 3.07Å; D2598-H2601 WeakPolarHBondContact O-CB 3.31Å; D2598-H2601 PolarHBondContact O-N 3.1Å; G2599-H2601 VanDerWaalsContact C-N 3.29Å; G2599-H2601 PolarHBondContact O-N 2.76Å; H2601-L2603 PolarHBondContact O-N 2.82Å; H2601-F2604 PolarHBondContact O-N 3.02Å; H2601-N2605 PolarHBondContact O-N 2.9Å; H2601-N2605 PolarHBondContact O-ND2 3.24Å |
| 2602 | I | 87.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 175.2 | -71.1 | 167.9 | 0 | 0 | 0 | 111.6 | R2553 L2557 L2562 D2598 G2599 N2605 Q2606 | R2553-I2602 HydrophobicContact CB-CD1 4.05Å; L2557-I2602 HydrophobicContact CD1-CG2 4.12Å; L2557-I2602 HydrophobicContact CD2-CG1 4.36Å; L2562-I2602 HydrophobicContact CD1-CG2 3.38Å; D2598-I2602 WeakPolarHBondContact O-CG1 3.44Å; D2598-I2602 PolarHBondContact O-N 3.45Å; G2599-I2602 PolarHBondContact O-N 3.02Å; I2602-N2605 PolarHBondContact O-N 3.44Å; I2602-Q2606 PolarHBondContact O-NE2 3.4Å |
| 2603 | L | 88.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | -178.9 | -75.6 | 175.8 | 0 | 0 | 0 | 112.1 | I2565 I2590 I2593 G2599 Q2600 H2601 N2605 Q2606 L2609 L2635 | I2565-L2603 HydrophobicContact CD1-CD2 4.35Å; I2590-L2603 HydrophobicContact CG1-CD2 4.4Å; I2590-L2603 HydrophobicContact CG2-CD1 3.93Å; I2590-L2603 HydrophobicContact CG2-CD2 3.91Å; I2593-L2603 HydrophobicContact CB-CD1 3.97Å; I2593-L2603 HydrophobicContact CB-CD2 4.37Å; I2593-L2603 HydrophobicContact CB-CG 4.22Å; I2593-L2603 HydrophobicContact CD1-CD2 4.37Å; I2593-L2603 HydrophobicContact CG2-CD1 3.77Å; I2593-L2603 HydrophobicContact CG2-CD2 4.07Å; I2593-L2603 HydrophobicContact CG2-CG 3.62Å; G2599-L2603 WeakPolarHBondContact O-CB 3.49Å; G2599-L2603 WeakPolarHBondContact O-CG 3.39Å; G2599-L2603 PolarHBondContact O-N 2.95Å; Q2600-L2603 PolarHBondContact O-N 3.39Å; H2601-L2603 PolarHBondContact O-N 2.82Å; L2603-N2605 PolarHBondContact O-N 3.37Å; L2603-Q2606 WeakPolarHBondContact O-CB 3.28Å; L2603-Q2606 PolarHBondContact O-N 3.14Å; L2603-L2609 HydrophobicContact CB-CD2 3.72Å; L2603-L2609 HydrophobicContact CD2-CD2 4.43Å; L2603-L2609 WeakPolarHBondContact O-CD2 3.25Å; L2603-L2635 HydrophobicContact CB-CD2 4.39Å |
| 2604 | F | 81.5 | Confident | 87.5 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -27.7 | -179.2 | -173.3 | -91.1 | 0 | 0 | 0 | 113.1 | Q2600 H2601 Q2606 L2641 K2644 L2645 | Q2600-F2604 WeakPolarHBondContact O-CB 3.41Å; Q2600-F2604 PolarHBondContact O-N 3.38Å; H2601-F2604 PolarHBondContact O-N 3.02Å; F2604-Q2606 PolarHBondContact O-N 3.03Å; F2604-L2641 HydrophobicContact CB-CD1 3.98Å; F2604-L2641 HydrophobicContact CB-CD2 3.94Å; F2604-L2641 HydrophobicContact CB-CG 4.46Å; F2604-L2641 HydrophobicContact CD1-CD2 3.59Å; F2604-L2641 HydrophobicContact CD2-CB 4.27Å; F2604-L2641 HydrophobicContact CD2-CD2 4.25Å; F2604-L2641 HydrophobicContact CE1-CD2 4.17Å; F2604-L2641 HydrophobicContact CG-CB 4.45Å; F2604-L2641 HydrophobicContact CG-CD1 4.4Å; F2604-L2641 HydrophobicContact CG-CD2 3.65Å; F2604-L2641 HydrophobicContact CG-CG 4.38Å; F2604-K2644 HydrophobicContact CE1-CD 3.72Å; F2604-K2644 HydrophobicContact CE1-CG 4.34Å; F2604-K2644 HydrophobicContact CZ-CB 3.88Å; F2604-K2644 HydrophobicContact CZ-CD 3.67Å; F2604-K2644 HydrophobicContact CZ-CG 3.77Å; F2604-L2645 HydrophobicContact CD2-CD1 4.43Å; F2604-L2645 HydrophobicContact CE2-CB 4.39Å; F2604-L2645 HydrophobicContact CE2-CD1 4.28Å |
| 2605 | N | 82.5 | Confident | 87.3 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.6 | 176.4 | -67.9 | -22.8 | 0 | 0 | 0 | 113.4 | H2601 I2602 L2603 | H2601-N2605 PolarHBondContact O-N 2.9Å; H2601-N2605 PolarHBondContact O-ND2 3.24Å; I2602-N2605 PolarHBondContact O-N 3.44Å; L2603-N2605 PolarHBondContact O-N 3.37Å |
| 2606 | Q | 85.8 | Confident | 87.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.4 | 128 | 176.9 | -58.3 | -54.3 | -47.3 | 0 | 0 | 110.8 | L2562 I2602 L2603 F2604 | L2562-Q2606 HydrophobicContact CB-CG 4.42Å; L2562-Q2606 PolarHBondContact O-OE1 3.23Å; I2602-Q2606 PolarHBondContact O-NE2 3.4Å; L2603-Q2606 WeakPolarHBondContact O-CB 3.28Å; L2603-Q2606 PolarHBondContact O-N 3.14Å; F2604-Q2606 PolarHBondContact O-N 3.03Å |
| 2607 | P | 81.8 | Confident | 87.3 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 146.5 | 179.9 | 22.3 | -25.6 | 0 | 0 | 0 | 110.8 | S2566 L2609 | S2566-P2607 WeakPolarHBondContact CB-O 3.23Å; P2607-L2609 PolarHBondContact O-N 3.14Å; P2607-L2609 VanDerWaalsContact O-N 3.08Å |
| 2608 | N | 84.1 | Confident | 87.3 | Confident | 99 Ų | 99 | 35.8 Ų | 35.8 | 53% | 0.529 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 5.1 | 178.8 | -58.3 | -24.8 | 0 | 0 | 0 | 116.7 | L2610 T2611 I2612 | N2608-L2610 VanDerWaalsContact C-N 3.27Å; N2608-L2610 PolarHBondContact O-N 3.26Å; N2608-T2611 PolarHBondContact O-N 3.16Å; N2608-T2611 PolarHBondContact O-OG1 3.44Å; N2608-I2612 HydrophobicContact CB-CD1 4.39Å; N2608-I2612 WeakPolarHBondContact O-CD1 3.25Å; N2608-I2612 VanDerWaalsContact O-CG1 3.23Å; N2608-I2612 WeakPolarHBondContact O-CG1 3.21Å; N2608-I2612 PolarHBondContact O-N 3.01Å |
| 2609 | L | 87.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.5 | -43.3 | 179.8 | 177 | 64.9 | 0 | 0 | 0 | 112.4 | I2565 I2590 L2603 P2607 I2612 L2613 L2635 | I2565-L2609 HydrophobicContact CG2-CD1 4.04Å; I2590-L2609 HydrophobicContact CD1-CD1 4.36Å; I2590-L2609 HydrophobicContact CG2-CD1 4.39Å; L2603-L2609 HydrophobicContact CB-CD2 3.72Å; L2603-L2609 HydrophobicContact CD2-CD2 4.43Å; L2603-L2609 WeakPolarHBondContact O-CD2 3.25Å; P2607-L2609 PolarHBondContact O-N 3.14Å; P2607-L2609 VanDerWaalsContact O-N 3.08Å; L2609-I2612 WeakPolarHBondContact O-CB 3.4Å; L2609-I2612 PolarHBondContact O-N 2.77Å; L2609-L2613 HydrophobicContact CD1-CD1 4.28Å; L2609-L2613 HydrophobicContact CD1-CG 4.21Å; L2609-L2613 HydrophobicContact CG-CD1 4.1Å; L2609-L2613 HydrophobicContact CG-CG 4.43Å; L2609-L2613 WeakPolarHBondContact O-CG 3.39Å; L2609-L2613 PolarHBondContact O-N 3.16Å; L2609-L2635 HydrophobicContact CD2-CD1 4.29Å |
| 2610 | L | 85.9 | Confident | 87.2 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -43 | -178.2 | -166.7 | 71.7 | 0 | 0 | 0 | 112.2 | N2608 I2612 L2613 I2614 L2632 L2645 N2649 V2652 | N2608-L2610 VanDerWaalsContact C-N 3.27Å; N2608-L2610 PolarHBondContact O-N 3.26Å; L2610-I2612 VanDerWaalsContact C-N 3.28Å; L2610-I2612 PolarHBondContact O-N 3.28Å; L2610-L2613 PolarHBondContact O-N 3.35Å; L2610-I2614 HydrophobicContact CD2-CD1 4.34Å; L2610-I2614 HydrophobicContact CG-CD1 3.88Å; L2610-I2614 WeakPolarHBondContact O-CD1 3.49Å; L2610-I2614 WeakPolarHBondContact O-CG1 3.34Å; L2610-I2614 PolarHBondContact O-N 3.18Å; L2610-L2632 HydrophobicContact CD1-CD1 4.02Å; L2610-L2645 HydrophobicContact CD1-CD1 3.62Å; L2610-L2645 HydrophobicContact CD1-CG 4.01Å; L2610-N2649 HydrophobicContact CD2-CB 3.57Å; L2610-N2649 WeakPolarHBondContact CD2-ND2 3.32Å; L2610-V2652 HydrophobicContact CD1-CG2 3.86Å; L2610-V2652 HydrophobicContact CD2-CG2 4.11Å; L2610-V2652 HydrophobicContact CG-CG2 4.3Å |
| 2611 | T | 87.1 | Confident | 86.9 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67 | -33.5 | 178.7 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | N2608 N2615 | N2608-T2611 PolarHBondContact O-N 3.16Å; N2608-T2611 PolarHBondContact O-OG1 3.44Å; T2611-N2615 VanDerWaalsContact O-CB 3.28Å; T2611-N2615 WeakPolarHBondContact O-CB 3.14Å; T2611-N2615 VanDerWaalsContact O-CG 3.27Å; T2611-N2615 PolarHBondContact O-N 3.35Å; T2611-N2615 PolarHBondContact O-ND2 3.12Å |
| 2612 | I | 89.6 | Confident | 86.6 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -52 | 172.2 | -66.7 | 164.2 | 0 | 0 | 0 | 110.2 | I2565 L2568 P2570 N2608 L2609 L2610 I2614 N2615 S2616 | I2565-I2612 HydrophobicContact CG2-CD1 4.03Å; I2565-I2612 WeakPolarHBondContact O-CD1 3.45Å; L2568-I2612 HydrophobicContact CB-CD1 4.26Å; L2568-I2612 WeakPolarHBondContact O-CD1 3.38Å; L2568-I2612 WeakPolarHBondContact O-CG1 3.2Å; P2570-I2612 HydrophobicContact CG-CB 4.38Å; P2570-I2612 HydrophobicContact CG-CG2 3.83Å; N2608-I2612 HydrophobicContact CB-CD1 4.39Å; N2608-I2612 WeakPolarHBondContact O-CD1 3.25Å; N2608-I2612 VanDerWaalsContact O-CG1 3.23Å; N2608-I2612 WeakPolarHBondContact O-CG1 3.21Å; N2608-I2612 PolarHBondContact O-N 3.01Å; L2609-I2612 WeakPolarHBondContact O-CB 3.4Å; L2609-I2612 PolarHBondContact O-N 2.77Å; L2610-I2612 VanDerWaalsContact C-N 3.28Å; L2610-I2612 PolarHBondContact O-N 3.28Å; I2612-I2614 PolarHBondContact O-N 3.22Å; I2612-N2615 PolarHBondContact O-N 3.15Å; I2612-S2616 WeakPolarHBondContact O-CB 3.24Å; I2612-S2616 PolarHBondContact O-N 3.44Å; I2612-S2616 PolarHBondContact O-OG 3.26Å; I2612-S2616 VanDerWaalsContact O-OG 3.1Å |
| 2613 | L | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | -179.5 | -67.9 | 173.8 | 0 | 0 | 0 | 112.2 | L2587 L2609 L2610 S2616 I2617 A2628 I2631 L2635 | L2587-L2613 HydrophobicContact CD2-CD2 4.33Å; L2609-L2613 HydrophobicContact CD1-CD1 4.28Å; L2609-L2613 HydrophobicContact CD1-CG 4.21Å; L2609-L2613 HydrophobicContact CG-CD1 4.1Å; L2609-L2613 HydrophobicContact CG-CG 4.43Å; L2609-L2613 WeakPolarHBondContact O-CG 3.39Å; L2609-L2613 PolarHBondContact O-N 3.16Å; L2610-L2613 PolarHBondContact O-N 3.35Å; L2613-S2616 WeakPolarHBondContact O-CB 3.43Å; L2613-S2616 PolarHBondContact O-N 3.18Å; L2613-I2617 WeakPolarHBondContact O-CD1 3.39Å; L2613-I2617 VanDerWaalsContact O-CG1 3.25Å; L2613-I2617 WeakPolarHBondContact O-CG1 3.37Å; L2613-I2617 PolarHBondContact O-N 3.16Å; L2613-A2628 HydrophobicContact CD2-CB 4.08Å; L2613-I2631 HydrophobicContact CD1-CG2 3.76Å; L2613-I2631 HydrophobicContact CD2-CB 3.96Å; L2613-I2631 HydrophobicContact CD2-CD1 4Å; L2613-I2631 HydrophobicContact CD2-CG2 3.79Å; L2613-I2631 HydrophobicContact CG-CG2 4.44Å; L2613-L2635 HydrophobicContact CD1-CD1 3.95Å |
| 2614 | I | 88.7 | Confident | 86.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.8 | -71.1 | 160.9 | 0 | 0 | 0 | 110.7 | L2610 I2612 S2616 I2617 N2618 D2651 V2652 | L2610-I2614 HydrophobicContact CD2-CD1 4.34Å; L2610-I2614 HydrophobicContact CG-CD1 3.88Å; L2610-I2614 WeakPolarHBondContact O-CD1 3.49Å; L2610-I2614 WeakPolarHBondContact O-CG1 3.34Å; L2610-I2614 PolarHBondContact O-N 3.18Å; I2612-I2614 PolarHBondContact O-N 3.22Å; I2614-S2616 VanDerWaalsContact C-N 3.28Å; I2614-S2616 PolarHBondContact O-N 3.2Å; I2614-I2617 PolarHBondContact O-N 3.2Å; I2614-N2618 WeakPolarHBondContact O-CB 3.46Å; I2614-N2618 VanDerWaalsContact O-CG 3.31Å; I2614-N2618 PolarHBondContact O-N 3.28Å; I2614-D2651 HydrophobicContact CD1-CB 3.6Å; I2614-D2651 HydrophobicContact CG2-CB 4.46Å; I2614-V2652 HydrophobicContact CD1-CG2 4.3Å |
| 2615 | N | 89.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 15% | 0.15 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 177.3 | -77.5 | -42.5 | 0 | 0 | 0 | 112 | P2570 R2571 T2611 I2612 H2619 | P2570-N2615 HydrophobicContact CB-CB 4.08Å; P2570-N2615 HydrophobicContact CG-CB 3.99Å; R2571-N2615 PolarHBondContact NE-OD1 2.92Å; R2571-N2615 PolarHBondContact NH2-OD1 3.42Å; T2611-N2615 VanDerWaalsContact O-CB 3.28Å; T2611-N2615 WeakPolarHBondContact O-CB 3.14Å; T2611-N2615 VanDerWaalsContact O-CG 3.27Å; T2611-N2615 PolarHBondContact O-N 3.35Å; T2611-N2615 PolarHBondContact O-ND2 3.12Å; I2612-N2615 PolarHBondContact O-N 3.15Å; N2615-H2619 WeakPolarHBondContact O-CB 3.44Å; N2615-H2619 PolarHBondContact O-CD2 3.46Å; N2615-H2619 VanDerWaalsContact O-CD2 3.31Å; N2615-H2619 PolarHBondContact O-N 3.46Å |
| 2616 | S | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 174.3 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | I2612 L2613 I2614 N2618 C2620 | I2612-S2616 WeakPolarHBondContact O-CB 3.24Å; I2612-S2616 PolarHBondContact O-N 3.44Å; I2612-S2616 PolarHBondContact O-OG 3.26Å; I2612-S2616 VanDerWaalsContact O-OG 3.1Å; L2613-S2616 WeakPolarHBondContact O-CB 3.43Å; L2613-S2616 PolarHBondContact O-N 3.18Å; I2614-S2616 VanDerWaalsContact C-N 3.28Å; I2614-S2616 PolarHBondContact O-N 3.2Å; S2616-N2618 PolarHBondContact O-N 3.47Å; S2616-C2620 WeakPolarHBondContact O-CB 3.36Å; S2616-C2620 PolarHBondContact O-N 3.48Å; S2616-C2620 VanDerWaalsContact O-N 3.16Å |
| 2617 | I | 89.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.5 | -68.3 | 160.7 | 0 | 0 | 0 | 111.2 | L2613 I2614 R2625 A2628 L2629 L2632 C2655 I2659 | L2613-I2617 WeakPolarHBondContact O-CD1 3.39Å; L2613-I2617 VanDerWaalsContact O-CG1 3.25Å; L2613-I2617 WeakPolarHBondContact O-CG1 3.37Å; L2613-I2617 PolarHBondContact O-N 3.16Å; I2614-I2617 PolarHBondContact O-N 3.2Å; I2617-R2625 HydrophobicContact CG2-CG 4.46Å; I2617-R2625 VanDerWaalsContact O-CD 3.28Å; I2617-R2625 WeakPolarHBondContact O-CD 3.37Å; I2617-R2625 WeakPolarHBondContact O-CG 3.45Å; I2617-A2628 HydrophobicContact CG1-CB 3.88Å; I2617-L2629 HydrophobicContact CD1-CD1 3.91Å; I2617-L2629 HydrophobicContact CG1-CB 4.46Å; I2617-L2629 HydrophobicContact CG1-CD1 4.2Å; I2617-L2629 HydrophobicContact CG2-CD1 4.25Å; I2617-L2632 HydrophobicContact CD1-CD2 3.72Å; I2617-C2655 HydrophobicContact CG2-CB 4.43Å; I2617-I2659 HydrophobicContact CG2-CD1 3.93Å |
| 2618 | N | 87.1 | Confident | 88.2 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -83.6 | -30.9 | -172.6 | -66.1 | -8 | 0 | 0 | 0 | 113.9 | I2614 S2616 C2655 | I2614-N2618 WeakPolarHBondContact O-CB 3.46Å; I2614-N2618 VanDerWaalsContact O-CG 3.31Å; I2614-N2618 PolarHBondContact O-N 3.28Å; S2616-N2618 PolarHBondContact O-N 3.47Å; N2618-C2655 PolarHBondContact OD1-SG 2.99Å; N2618-C2655 VanDerWaalsContact OD1-SG 3.33Å |
| 2619 | H | 86.2 | Confident | 88.6 | Confident | 91 Ų | 91 | 38 Ų | 38 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -119.4 | -12.1 | -168.1 | -56.8 | -69.9 | 0 | 0 | 0 | 114.8 | I2574 N2615 | I2574-H2619 HydrophobicContact CD1-CB 3.62Å; I2574-H2619 VanDerWaalsContact CD1-O 3.27Å; I2574-H2619 WeakPolarHBondContact CD1-O 3.5Å; N2615-H2619 WeakPolarHBondContact O-CB 3.44Å; N2615-H2619 PolarHBondContact O-CD2 3.46Å; N2615-H2619 VanDerWaalsContact O-CD2 3.31Å; N2615-H2619 PolarHBondContact O-N 3.46Å |
| 2620 | C | 87.5 | Confident | 88.9 | Confident | 16 Ų | 16 | 38.5 Ų | 38.5 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -91.4 | 165.4 | -177.1 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | S2616 N2624 | S2616-C2620 WeakPolarHBondContact O-CB 3.36Å; S2616-C2620 PolarHBondContact O-N 3.48Å; S2616-C2620 VanDerWaalsContact O-N 3.16Å; C2620-N2624 HydrophobicContact CB-CB 3.84Å |
| 2621 | K | 84.5 | Confident | 89.3 | Confident | 130 Ų | 130 | 37.2 Ų | 37.2 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | trans | -57.9 | 158.1 | 168.9 | -70 | -168.3 | -177.5 | -178.7 | 0 | 112.5 | D2623 N2624 R2625 | K2621-D2623 PolarHBondContact O-N 3.45Å; K2621-N2624 PolarHBondContact O-N 3.39Å; K2621-N2624 VanDerWaalsContact O-N 3.16Å; K2621-R2625 WeakPolarHBondContact O-CB 3.23Å; K2621-R2625 PolarHBondContact O-N 2.68Å | ||
| 2622 | P | 82.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 34.2 Ų | 34.2 | 53% | 0.526 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -48 | -51.7 | -174.9 | 14.8 | -30.7 | 0 | 0 | 0 | 113.7 | N2624 R2625 E2626 | P2622-N2624 VanDerWaalsContact C-N 3.35Å; P2622-N2624 PolarHBondContact O-N 3.09Å; P2622-R2625 WeakPolarHBondContact O-CB 2.94Å; P2622-R2625 PolarHBondContact O-N 3.12Å; P2622-R2625 VanDerWaalsContact O-N 3.14Å; P2622-E2626 WeakPolarHBondContact O-CB 3.48Å; P2622-E2626 VanDerWaalsContact O-CG 3.32Å; P2622-E2626 WeakPolarHBondContact O-CG 3.33Å; P2622-E2626 PolarHBondContact O-N 3.4Å |
| 2623 | D | 84 | Confident | 89.6 | Confident | 114 Ų | 114 | 37.9 Ų | 37.9 | 61% | 0.61 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -55.5 | -45.4 | -177.7 | -53.2 | -16.6 | 0 | 0 | 0 | 113.5 | K2621 T2627 | K2621-D2623 PolarHBondContact O-N 3.45Å; D2623-T2627 WeakPolarHBondContact O-CB 3.44Å; D2623-T2627 PolarHBondContact O-N 2.97Å; D2623-T2627 PolarHBondContact O-OG1 3.34Å |
| 2624 | N | 90.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.9 | -34.6 | 180 | -78.9 | -13.3 | 0 | 0 | 0 | 112.3 | H2580 T2584 L2587 C2620 K2621 P2622 T2627 A2628 | H2580-N2624 PolarHBondContact CE1-ND2 3.07Å; T2584-N2624 WeakPolarHBondContact CA-OD1 3.49Å; T2584-N2624 WeakPolarHBondContact CG2-OD1 3.18Å; T2584-N2624 PolarHBondContact OG1-ND2 3.01Å; T2584-N2624 PolarHBondContact OG1-OD1 3.28Å; L2587-N2624 HydrophobicContact CD1-CB 3.75Å; C2620-N2624 HydrophobicContact CB-CB 3.84Å; K2621-N2624 PolarHBondContact O-N 3.39Å; K2621-N2624 VanDerWaalsContact O-N 3.16Å; P2622-N2624 VanDerWaalsContact C-N 3.35Å; P2622-N2624 PolarHBondContact O-N 3.09Å; N2624-T2627 PolarHBondContact O-N 3.18Å; N2624-A2628 VanDerWaalsContact O-CB 3.3Å; N2624-A2628 WeakPolarHBondContact O-CB 3.44Å; N2624-A2628 PolarHBondContact O-N 2.97Å |
| 2625 | R | 90.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 37.6 Ų | 37.6 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 173 | 167.8 | 174.4 | 172.9 | -177.8 | -4.9 | 110.1 | I2617 K2621 P2622 A2628 L2629 | I2617-R2625 HydrophobicContact CG2-CG 4.46Å; I2617-R2625 VanDerWaalsContact O-CD 3.28Å; I2617-R2625 WeakPolarHBondContact O-CD 3.37Å; I2617-R2625 WeakPolarHBondContact O-CG 3.45Å; K2621-R2625 WeakPolarHBondContact O-CB 3.23Å; K2621-R2625 PolarHBondContact O-N 2.68Å; P2622-R2625 WeakPolarHBondContact O-CB 2.94Å; P2622-R2625 PolarHBondContact O-N 3.12Å; P2622-R2625 VanDerWaalsContact O-N 3.14Å; R2625-A2628 PolarHBondContact O-N 3.36Å; R2625-L2629 WeakPolarHBondContact O-CB 3.38Å; R2625-L2629 PolarHBondContact O-N 3.39Å |
| 2626 | E | 90 | Very high | 89.7 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.9 | -75.5 | 178.5 | -175 | 0 | 0 | 111.8 | P2622 A2628 L2629 V2630 Y2671 | P2622-E2626 WeakPolarHBondContact O-CB 3.48Å; P2622-E2626 VanDerWaalsContact O-CG 3.32Å; P2622-E2626 WeakPolarHBondContact O-CG 3.33Å; P2622-E2626 PolarHBondContact O-N 3.4Å; E2626-A2628 PolarHBondContact O-N 3.12Å; E2626-L2629 WeakPolarHBondContact O-CB 3.09Å; E2626-L2629 PolarHBondContact O-N 3.41Å; E2626-L2629 VanDerWaalsContact O-N 3.15Å; E2626-V2630 WeakPolarHBondContact O-CG2 3.09Å; E2626-V2630 PolarHBondContact O-N 3.46Å; E2626-Y2671 HydrophobicContact CB-CD1 4.5Å; E2626-Y2671 HydrophobicContact CB-CE1 4.03Å; E2626-Y2671 VanDerWaalsContact CD-CD1 3.47Å; E2626-Y2671 HydrophobicContact CG-CD1 3.93Å; E2626-Y2671 HydrophobicContact CG-CE1 3.98Å; E2626-Y2671 WeakPolarHBondContact OE2-CD1 3.27Å; E2626-Y2671 WeakPolarHBondContact OE2-CE1 3.48Å |
| 2627 | T | 92.7 | Very high | 89.6 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 16% | 0.16 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L2587 L2591 D2623 N2624 L2629 V2630 I2631 | L2587-T2627 HydrophobicContact CB-CG2 3.8Å; L2591-T2627 HydrophobicContact CB-CG2 4.13Å; L2591-T2627 HydrophobicContact CD2-CG2 4.12Å; D2623-T2627 WeakPolarHBondContact O-CB 3.44Å; D2623-T2627 PolarHBondContact O-N 2.97Å; D2623-T2627 PolarHBondContact O-OG1 3.34Å; N2624-T2627 PolarHBondContact O-N 3.18Å; T2627-L2629 VanDerWaalsContact C-N 3.32Å; T2627-L2629 PolarHBondContact O-N 2.87Å; T2627-V2630 PolarHBondContact O-N 3.23Å; T2627-I2631 HydrophobicContact CG2-CD1 4.25Å; T2627-I2631 WeakPolarHBondContact O-CD1 3.31Å; T2627-I2631 WeakPolarHBondContact O-CG1 3.49Å; T2627-I2631 PolarHBondContact O-N 3.49Å |
| 2628 | A | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2587 L2613 I2617 N2624 R2625 E2626 I2631 L2632 | L2587-A2628 HydrophobicContact CD2-CB 4.27Å; L2613-A2628 HydrophobicContact CD2-CB 4.08Å; I2617-A2628 HydrophobicContact CG1-CB 3.88Å; N2624-A2628 VanDerWaalsContact O-CB 3.3Å; N2624-A2628 WeakPolarHBondContact O-CB 3.44Å; N2624-A2628 PolarHBondContact O-N 2.97Å; R2625-A2628 PolarHBondContact O-N 3.36Å; E2626-A2628 PolarHBondContact O-N 3.12Å; A2628-I2631 PolarHBondContact O-N 2.89Å; A2628-L2632 PolarHBondContact O-N 2.76Å |
| 2629 | L | 92.5 | Very high | 89 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.1 | -162.4 | 81.9 | 0 | 0 | 0 | 112.1 | I2617 R2625 E2626 T2627 L2632 R2633 I2659 T2672 V2675 V2676 | I2617-L2629 HydrophobicContact CD1-CD1 3.91Å; I2617-L2629 HydrophobicContact CG1-CB 4.46Å; I2617-L2629 HydrophobicContact CG1-CD1 4.2Å; I2617-L2629 HydrophobicContact CG2-CD1 4.25Å; R2625-L2629 WeakPolarHBondContact O-CB 3.38Å; R2625-L2629 PolarHBondContact O-N 3.39Å; E2626-L2629 WeakPolarHBondContact O-CB 3.09Å; E2626-L2629 PolarHBondContact O-N 3.41Å; E2626-L2629 VanDerWaalsContact O-N 3.15Å; T2627-L2629 VanDerWaalsContact C-N 3.32Å; T2627-L2629 PolarHBondContact O-N 2.87Å; L2629-L2632 PolarHBondContact O-N 3.33Å; L2629-R2633 WeakPolarHBondContact O-CB 3.32Å; L2629-R2633 PolarHBondContact O-N 3.41Å; L2629-I2659 HydrophobicContact CD1-CD1 3.47Å; L2629-I2659 VanDerWaalsContact CD1-CD1 3.47Å; L2629-I2659 HydrophobicContact CD2-CD1 4.34Å; L2629-T2672 HydrophobicContact CD2-CG2 3.68Å; L2629-T2672 WeakPolarHBondContact CD2-O 3.27Å; L2629-V2675 HydrophobicContact CB-CG1 4.22Å; L2629-V2675 HydrophobicContact CD2-CB 3.63Å; L2629-V2675 HydrophobicContact CD2-CG1 3.48Å; L2629-V2675 VanDerWaalsContact CD2-CG1 3.48Å; L2629-V2675 HydrophobicContact CG-CB 4.46Å; L2629-V2675 HydrophobicContact CG-CG1 3.78Å; L2629-V2676 HydrophobicContact CD1-CG2 4.01Å; L2629-V2676 HydrophobicContact CD2-CG2 3.65Å; L2629-V2676 HydrophobicContact CG-CG2 4.33Å |
| 2630 | V | 94 | Very high | 88.5 | Confident | 17 Ų | 17 | 43 Ų | 43 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.3 | -39.6 | 176 | 179 | 0 | 0 | 0 | 0 | 110.9 | L2591 E2626 T2627 L2632 R2633 N2634 V2675 | L2591-V2630 HydrophobicContact CD1-CB 3.9Å; L2591-V2630 HydrophobicContact CD1-CG1 3.5Å; E2626-V2630 WeakPolarHBondContact O-CG2 3.09Å; E2626-V2630 PolarHBondContact O-N 3.46Å; T2627-V2630 PolarHBondContact O-N 3.23Å; V2630-L2632 PolarHBondContact O-N 2.62Å; V2630-R2633 WeakPolarHBondContact O-CB 3.23Å; V2630-R2633 PolarHBondContact O-N 2.84Å; V2630-N2634 WeakPolarHBondContact O-CB 3.42Å; V2630-N2634 VanDerWaalsContact O-CG 3.3Å; V2630-N2634 PolarHBondContact O-N 2.99Å; V2630-V2675 HydrophobicContact CG2-CG1 3.86Å; V2630-V2675 HydrophobicContact CG2-CG2 4.05Å |
| 2631 | I | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -50 | 173.1 | -66.5 | 158.8 | 0 | 0 | 0 | 110.2 | L2587 I2590 L2591 L2613 T2627 A2628 R2633 N2634 L2635 | L2587-I2631 HydrophobicContact CD2-CD1 4.02Å; I2590-I2631 HydrophobicContact CB-CD1 4.01Å; I2590-I2631 HydrophobicContact CG2-CD1 3.72Å; I2590-I2631 HydrophobicContact CG2-CG1 4.12Å; I2590-I2631 HydrophobicContact CG2-CG2 3.77Å; L2591-I2631 HydrophobicContact CB-CD1 4.17Å; L2591-I2631 HydrophobicContact CB-CG1 3.88Å; L2591-I2631 HydrophobicContact CD1-CG1 3.94Å; L2613-I2631 HydrophobicContact CD1-CG2 3.76Å; L2613-I2631 HydrophobicContact CD2-CB 3.96Å; L2613-I2631 HydrophobicContact CD2-CD1 4Å; L2613-I2631 HydrophobicContact CD2-CG2 3.79Å; L2613-I2631 HydrophobicContact CG-CG2 4.44Å; T2627-I2631 HydrophobicContact CG2-CD1 4.25Å; T2627-I2631 WeakPolarHBondContact O-CD1 3.31Å; T2627-I2631 WeakPolarHBondContact O-CG1 3.49Å; T2627-I2631 PolarHBondContact O-N 3.49Å; A2628-I2631 PolarHBondContact O-N 2.89Å; I2631-R2633 VanDerWaalsContact C-N 3.33Å; I2631-R2633 PolarHBondContact O-N 2.9Å; I2631-N2634 WeakPolarHBondContact O-CB 3.38Å; I2631-N2634 PolarHBondContact O-N 2.86Å; I2631-N2634 VanDerWaalsContact O-N 3.13Å; I2631-L2635 HydrophobicContact CG2-CD1 4.28Å; I2631-L2635 WeakPolarHBondContact O-CG 3.29Å; I2631-L2635 PolarHBondContact O-N 2.79Å |
| 2632 | L | 91.6 | Very high | 88 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 179 | -178 | 65.5 | 0 | 0 | 0 | 111.4 | L2610 I2617 A2628 L2629 V2630 N2634 L2635 C2636 L2645 V2652 F2656 | L2610-L2632 HydrophobicContact CD1-CD1 4.02Å; I2617-L2632 HydrophobicContact CD1-CD2 3.72Å; A2628-L2632 PolarHBondContact O-N 2.76Å; L2629-L2632 PolarHBondContact O-N 3.33Å; V2630-L2632 PolarHBondContact O-N 2.62Å; L2632-N2634 VanDerWaalsContact C-N 3.32Å; L2632-N2634 PolarHBondContact O-N 3.42Å; L2632-L2635 PolarHBondContact O-N 3.02Å; L2632-C2636 PolarHBondContact O-N 3.1Å; L2632-C2636 VanDerWaalsContact O-N 3.13Å; L2632-C2636 PolarHBondContact O-SG 3.48Å; L2632-L2645 HydrophobicContact CD1-CD2 4.04Å; L2632-V2652 HydrophobicContact CD1-CG1 4.26Å; L2632-V2652 HydrophobicContact CD1-CG2 4.4Å; L2632-V2652 HydrophobicContact CD2-CG1 4.2Å; L2632-F2656 HydrophobicContact CD2-CE1 3.89Å; L2632-F2656 HydrophobicContact CD2-CZ 4.24Å |
| 2633 | R | 92.2 | Very high | 87.8 | Confident | 80 Ų | 80 | 35 Ų | 35 | 30% | 0.302 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.8 | -44.2 | 173.8 | 176.6 | -79.3 | -142.6 | 164.1 | 8.6 | 111.7 | L2629 V2630 I2631 C2636 V2675 S2678 A2679 | L2629-R2633 WeakPolarHBondContact O-CB 3.32Å; L2629-R2633 PolarHBondContact O-N 3.41Å; V2630-R2633 WeakPolarHBondContact O-CB 3.23Å; V2630-R2633 PolarHBondContact O-N 2.84Å; I2631-R2633 VanDerWaalsContact C-N 3.33Å; I2631-R2633 PolarHBondContact O-N 2.9Å; R2633-C2636 WeakPolarHBondContact O-CB 3.44Å; R2633-C2636 PolarHBondContact O-N 2.94Å; R2633-V2675 HydrophobicContact CB-CG1 4.16Å; R2633-V2675 HydrophobicContact CG-CG1 4.44Å; R2633-S2678 PolarHBondContact NE-OG 3.36Å; R2633-A2679 HydrophobicContact CB-CB 3.75Å; R2633-A2679 HydrophobicContact CG-CB 3.93Å |
| 2634 | N | 92.7 | Very high | 87.5 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 178.7 | -74.6 | -11.4 | 0 | 0 | 0 | 111.6 | S2594 Q2600 V2630 I2631 L2632 C2636 T2637 | S2594-N2634 PolarHBondContact OG-ND2 2.92Å; Q2600-N2634 PolarHBondContact NE2-O 3.35Å; V2630-N2634 WeakPolarHBondContact O-CB 3.42Å; V2630-N2634 VanDerWaalsContact O-CG 3.3Å; V2630-N2634 PolarHBondContact O-N 2.99Å; I2631-N2634 WeakPolarHBondContact O-CB 3.38Å; I2631-N2634 PolarHBondContact O-N 2.86Å; I2631-N2634 VanDerWaalsContact O-N 3.13Å; L2632-N2634 VanDerWaalsContact C-N 3.32Å; L2632-N2634 PolarHBondContact O-N 3.42Å; N2634-C2636 VanDerWaalsContact C-N 3.27Å; N2634-C2636 PolarHBondContact O-N 2.94Å; N2634-T2637 WeakPolarHBondContact O-CB 3.3Å; N2634-T2637 PolarHBondContact O-N 2.95Å; N2634-T2637 PolarHBondContact O-OG1 3.07Å |
| 2635 | L | 89.9 | Confident | 87 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -33.1 | 176.5 | -65.2 | 174.5 | 0 | 0 | 0 | 112.6 | Q2600 L2603 L2609 L2613 I2631 L2632 T2637 H2638 L2645 | Q2600-L2635 HydrophobicContact CB-CD2 4.08Å; Q2600-L2635 HydrophobicContact CG-CD2 4.22Å; L2603-L2635 HydrophobicContact CB-CD2 4.39Å; L2609-L2635 HydrophobicContact CD2-CD1 4.29Å; L2613-L2635 HydrophobicContact CD1-CD1 3.95Å; I2631-L2635 HydrophobicContact CG2-CD1 4.28Å; I2631-L2635 WeakPolarHBondContact O-CG 3.29Å; I2631-L2635 PolarHBondContact O-N 2.79Å; L2632-L2635 PolarHBondContact O-N 3.02Å; L2635-T2637 PolarHBondContact O-N 2.73Å; L2635-H2638 PolarHBondContact O-N 2.83Å; L2635-L2645 HydrophobicContact CB-CD1 4.41Å; L2635-L2645 HydrophobicContact CD1-CD1 4.47Å |
| 2636 | C | 88.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.6 | 175.3 | -70.1 | 0 | 0 | 0 | 0 | 114.2 | L2632 R2633 N2634 K2642 A2682 S2683 | L2632-C2636 PolarHBondContact O-N 3.1Å; L2632-C2636 VanDerWaalsContact O-N 3.13Å; L2632-C2636 PolarHBondContact O-SG 3.48Å; R2633-C2636 WeakPolarHBondContact O-CB 3.44Å; R2633-C2636 PolarHBondContact O-N 2.94Å; N2634-C2636 VanDerWaalsContact C-N 3.27Å; N2634-C2636 PolarHBondContact O-N 2.94Å; C2636-K2642 WeakPolarHBondContact O-CB 3.31Å; C2636-K2642 WeakPolarHBondContact O-CD 3.35Å; C2636-A2682 HydrophobicContact CB-CB 4.06Å; C2636-A2682 CarbonylContact O-C 3.13Å; C2636-S2683 WeakPolarHBondContact CB-OG 3.36Å; C2636-S2683 PolarHBondContact SG-OG 2.89Å; C2636-S2683 VanDerWaalsContact SG-OG 3.34Å |
| 2637 | T | 87.9 | Confident | 85.9 | Confident | 71 Ų | 71 | 32.4 Ų | 32.4 | 44% | 0.436 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -21.6 | 179.1 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | Q2600 N2634 L2635 S2639 A2682 | Q2600-T2637 PolarHBondContact NE2-OG1 3.15Å; N2634-T2637 WeakPolarHBondContact O-CB 3.3Å; N2634-T2637 PolarHBondContact O-N 2.95Å; N2634-T2637 PolarHBondContact O-OG1 3.07Å; L2635-T2637 PolarHBondContact O-N 2.73Å; T2637-S2639 PolarHBondContact O-N 3.44Å; T2637-A2682 HydrophobicContact CG2-CB 3.79Å |
| 2638 | H | 85.1 | Confident | 84.8 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 15% | 0.148 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -81.1 | 120.1 | -175.7 | -163.7 | -59.5 | 0 | 0 | 0 | 111.7 | L2635 I2640 L2641 K2642 | L2635-H2638 PolarHBondContact O-N 2.83Å; H2638-I2640 PolarHBondContact O-N 3.48Å; H2638-L2641 HydrophobicContact CB-CB 4.06Å; H2638-L2641 HydrophobicContact CB-CD1 3.89Å; H2638-L2641 HydrophobicContact CB-CG 4.14Å; H2638-L2641 PolarHBondContact O-N 3.33Å; H2638-K2642 VanDerWaalsContact O-CB 3.32Å; H2638-K2642 WeakPolarHBondContact O-CB 3.46Å; H2638-K2642 WeakPolarHBondContact O-CG 3.38Å; H2638-K2642 PolarHBondContact O-N 3.05Å |
| 2639 | S | 78.8 | Confident | 83.7 | Confident | 85 Ų | 85 | 37.9 Ų | 37.9 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54 | -44.5 | -170.7 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | T2637 | T2637-S2639 PolarHBondContact O-N 3.44Å |
| 2640 | I | 76.4 | Confident | 83.1 | Confident | 121 Ų | 121 | 43 Ų | 43 | 62% | 0.621 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -78.2 | -49.6 | -178.9 | -59 | 167.5 | 0 | 0 | 0 | 111.3 | H2638 K2642 S2643 | H2638-I2640 PolarHBondContact O-N 3.48Å; I2640-K2642 PolarHBondContact O-N 3.26Å; I2640-S2643 PolarHBondContact O-N 3.14Å; I2640-S2643 PolarHBondContact O-OG 3.3Å |
| 2641 | L | 76.8 | Confident | 82.5 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | -172.5 | -56.2 | 174.1 | 0 | 0 | 0 | 111.8 | Q2600 F2604 H2638 S2643 K2644 L2645 | Q2600-L2641 HydrophobicContact CB-CD1 4.25Å; F2604-L2641 HydrophobicContact CB-CD1 3.98Å; F2604-L2641 HydrophobicContact CB-CD2 3.94Å; F2604-L2641 HydrophobicContact CB-CG 4.46Å; F2604-L2641 HydrophobicContact CD1-CD2 3.59Å; F2604-L2641 HydrophobicContact CD2-CB 4.27Å; F2604-L2641 HydrophobicContact CD2-CD2 4.25Å; F2604-L2641 HydrophobicContact CE1-CD2 4.17Å; F2604-L2641 HydrophobicContact CG-CB 4.45Å; F2604-L2641 HydrophobicContact CG-CD1 4.4Å; F2604-L2641 HydrophobicContact CG-CD2 3.65Å; F2604-L2641 HydrophobicContact CG-CG 4.38Å; H2638-L2641 HydrophobicContact CB-CB 4.06Å; H2638-L2641 HydrophobicContact CB-CD1 3.89Å; H2638-L2641 HydrophobicContact CB-CG 4.14Å; H2638-L2641 PolarHBondContact O-N 3.33Å; L2641-S2643 VanDerWaalsContact C-N 3.28Å; L2641-S2643 PolarHBondContact O-N 2.9Å; L2641-K2644 PolarHBondContact O-N 2.82Å; L2641-L2645 WeakPolarHBondContact O-CB 3.26Å; L2641-L2645 PolarHBondContact O-N 3.49Å |
| 2642 | K | 84.6 | Confident | 82 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | -177.3 | 71.3 | 179.6 | -169.1 | 154.9 | 0 | 113.5 | C2636 H2638 I2640 K2644 L2646 A2682 S2683 H2685 I2690 | C2636-K2642 WeakPolarHBondContact O-CB 3.31Å; C2636-K2642 WeakPolarHBondContact O-CD 3.35Å; H2638-K2642 VanDerWaalsContact O-CB 3.32Å; H2638-K2642 WeakPolarHBondContact O-CB 3.46Å; H2638-K2642 WeakPolarHBondContact O-CG 3.38Å; H2638-K2642 PolarHBondContact O-N 3.05Å; I2640-K2642 PolarHBondContact O-N 3.26Å; K2642-K2644 VanDerWaalsContact C-N 3.33Å; K2642-L2646 WeakPolarHBondContact O-CB 3.3Å; K2642-L2646 WeakPolarHBondContact O-CG 3.44Å; K2642-L2646 PolarHBondContact O-N 2.97Å; K2642-L2646 VanDerWaalsContact O-N 3.08Å; K2642-A2682 PolarHBondContact NZ-O 3.26Å; K2642-A2682 VanDerWaalsContact NZ-O 3.09Å; K2642-S2683 PolarHBondContact NZ-O 2.94Å; K2642-H2685 PolarHBondContact NZ-O 2.88Å; K2642-I2690 HydrophobicContact CB-CD1 4.36Å; K2642-I2690 HydrophobicContact CD-CD1 3.98Å; K2642-I2690 HydrophobicContact CG-CD1 3.55Å |
| 2643 | S | 78.8 | Confident | 81.7 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 174.3 | 61.8 | 0 | 0 | 0 | 0 | 111 | I2640 L2641 T2647 | I2640-S2643 PolarHBondContact O-N 3.14Å; I2640-S2643 PolarHBondContact O-OG 3.3Å; L2641-S2643 VanDerWaalsContact C-N 3.28Å; L2641-S2643 PolarHBondContact O-N 2.9Å; S2643-T2647 WeakPolarHBondContact O-CB 3.3Å; S2643-T2647 WeakPolarHBondContact O-CG2 3.01Å; S2643-T2647 PolarHBondContact O-N 3.46Å; S2643-T2647 PolarHBondContact O-OG1 3.37Å |
| 2644 | K | 77.8 | Confident | 81.4 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.1 | -41.9 | -179.5 | -161.5 | 169.9 | 172.1 | -178.7 | 0 | 110.8 | F2604 L2641 K2642 T2648 | F2604-K2644 HydrophobicContact CE1-CD 3.72Å; F2604-K2644 HydrophobicContact CE1-CG 4.34Å; F2604-K2644 HydrophobicContact CZ-CB 3.88Å; F2604-K2644 HydrophobicContact CZ-CD 3.67Å; F2604-K2644 HydrophobicContact CZ-CG 3.77Å; L2641-K2644 PolarHBondContact O-N 2.82Å; K2642-K2644 VanDerWaalsContact C-N 3.33Å; K2644-T2648 HydrophobicContact CG-CG2 4.38Å; K2644-T2648 WeakPolarHBondContact O-CB 3.29Å; K2644-T2648 VanDerWaalsContact O-CG2 3.27Å; K2644-T2648 WeakPolarHBondContact O-CG2 3.45Å; K2644-T2648 PolarHBondContact O-N 3.07Å; K2644-T2648 PolarHBondContact O-OG1 3.01Å |
| 2645 | L | 79.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 177.9 | -168.5 | 111.3 | 0 | 0 | 0 | 112.1 | F2604 L2610 L2632 L2635 L2641 V2652 | F2604-L2645 HydrophobicContact CD2-CD1 4.43Å; F2604-L2645 HydrophobicContact CE2-CB 4.39Å; F2604-L2645 HydrophobicContact CE2-CD1 4.28Å; L2610-L2645 HydrophobicContact CD1-CD1 3.62Å; L2610-L2645 HydrophobicContact CD1-CG 4.01Å; L2632-L2645 HydrophobicContact CD1-CD2 4.04Å; L2635-L2645 HydrophobicContact CB-CD1 4.41Å; L2635-L2645 HydrophobicContact CD1-CD1 4.47Å; L2641-L2645 WeakPolarHBondContact O-CB 3.26Å; L2641-L2645 PolarHBondContact O-N 3.49Å; L2645-V2652 HydrophobicContact CD2-CG1 4.42Å |
| 2646 | L | 79.3 | Confident | 81 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -83.1 | -35.8 | -173 | -67 | 164.6 | 0 | 0 | 0 | 113.3 | K2642 V2652 I2690 F2693 M2694 | K2642-L2646 WeakPolarHBondContact O-CB 3.3Å; K2642-L2646 WeakPolarHBondContact O-CG 3.44Å; K2642-L2646 PolarHBondContact O-N 2.97Å; K2642-L2646 VanDerWaalsContact O-N 3.08Å; L2646-V2652 HydrophobicContact CD2-CB 4.42Å; L2646-V2652 HydrophobicContact CD2-CG1 3.78Å; L2646-I2690 HydrophobicContact CD1-CD1 4.39Å; L2646-I2690 HydrophobicContact CD1-CG2 3.55Å; L2646-F2693 WeakPolarHBondContact O-CE1 3.38Å; L2646-F2693 WeakPolarHBondContact O-CZ 3.42Å; L2646-M2694 HydrophobicContact CD2-SD 4.37Å |
| 2647 | T | 76 | Confident | 81 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 32% | 0.319 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -80.5 | -18.3 | -177.4 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | S2643 F2693 | S2643-T2647 WeakPolarHBondContact O-CB 3.3Å; S2643-T2647 WeakPolarHBondContact O-CG2 3.01Å; S2643-T2647 PolarHBondContact O-N 3.46Å; S2643-T2647 PolarHBondContact O-OG1 3.37Å; T2647-F2693 HydrophobicContact CG2-CD1 4.47Å; T2647-F2693 HydrophobicContact CG2-CD2 4.22Å; T2647-F2693 HydrophobicContact CG2-CE2 4.34Å; T2647-F2693 HydrophobicContact CG2-CG 4.28Å |
| 2648 | T | 70.5 | Confident | 81 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -96.3 | -19.1 | -176.1 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | K2644 | K2644-T2648 HydrophobicContact CG-CG2 4.38Å; K2644-T2648 WeakPolarHBondContact O-CB 3.29Å; K2644-T2648 VanDerWaalsContact O-CG2 3.27Å; K2644-T2648 WeakPolarHBondContact O-CG2 3.45Å; K2644-T2648 PolarHBondContact O-N 3.07Å; K2644-T2648 PolarHBondContact O-OG1 3.01Å |
| 2649 | N | 70.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | trans | -141.2 | 105.4 | -176.2 | -85.8 | -64.2 | 0 | 0 | 0 | 111.5 | L2610 D2651 V2652 | L2610-N2649 HydrophobicContact CD2-CB 3.57Å; L2610-N2649 WeakPolarHBondContact CD2-ND2 3.32Å; N2649-D2651 PolarHBondContact O-N 2.92Å; N2649-V2652 PolarHBondContact O-N 2.97Å | ||
| 2650 | F | 78.9 | Confident | 81.4 | Confident | 108 Ų | 108 | 43.2 Ų | 43.2 | 47% | 0.474 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.2 | 177 | -66.9 | -80.2 | 0 | 0 | 0 | 113.1 | V2652 I2653 N2654 F2693 N2697 | F2650-V2652 PolarHBondContact O-N 3.32Å; F2650-I2653 PolarHBondContact O-N 2.89Å; F2650-N2654 PolarHBondContact O-N 3.23Å; F2650-N2654 VanDerWaalsContact O-N 3.12Å; F2650-F2693 HydrophobicContact CD1-CZ 4.35Å; F2650-F2693 HydrophobicContact CE1-CE2 4.26Å; F2650-F2693 AromaticContact CE1-CZ 3.82Å; F2650-F2693 HydrophobicContact CE1-CZ 3.82Å; F2650-F2693 HydrophobicContact CZ-CZ 4.4Å; F2650-N2697 VanDerWaalsContact CE1-OD1 3.29Å; F2650-N2697 WeakPolarHBondContact CE1-OD1 3.23Å |
| 2651 | D | 81.5 | Confident | 81.8 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59 | -28.8 | -179 | -65.7 | -21.6 | 0 | 0 | 0 | 113.6 | I2614 N2649 N2654 C2655 | I2614-D2651 HydrophobicContact CD1-CB 3.6Å; I2614-D2651 HydrophobicContact CG2-CB 4.46Å; N2649-D2651 PolarHBondContact O-N 2.92Å; D2651-N2654 PolarHBondContact O-N 3.27Å; D2651-C2655 PolarHBondContact O-N 3.28Å; D2651-C2655 PolarHBondContact O-SG 2.96Å |
| 2652 | V | 84.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 176 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L2610 I2614 L2632 L2645 L2646 N2649 F2650 N2654 C2655 F2656 | L2610-V2652 HydrophobicContact CD1-CG2 3.86Å; L2610-V2652 HydrophobicContact CD2-CG2 4.11Å; L2610-V2652 HydrophobicContact CG-CG2 4.3Å; I2614-V2652 HydrophobicContact CD1-CG2 4.3Å; L2632-V2652 HydrophobicContact CD1-CG1 4.26Å; L2632-V2652 HydrophobicContact CD1-CG2 4.4Å; L2632-V2652 HydrophobicContact CD2-CG1 4.2Å; L2645-V2652 HydrophobicContact CD2-CG1 4.42Å; L2646-V2652 HydrophobicContact CD2-CB 4.42Å; L2646-V2652 HydrophobicContact CD2-CG1 3.78Å; N2649-V2652 PolarHBondContact O-N 2.97Å; F2650-V2652 PolarHBondContact O-N 3.32Å; V2652-N2654 VanDerWaalsContact C-N 3.35Å; V2652-C2655 PolarHBondContact O-N 2.92Å; V2652-F2656 HydrophobicContact CG1-CE1 4.47Å; V2652-F2656 HydrophobicContact CG1-CE2 3.84Å; V2652-F2656 HydrophobicContact CG1-CZ 3.77Å; V2652-F2656 WeakPolarHBondContact O-CG 3.43Å; V2652-F2656 PolarHBondContact O-N 3.16Å |
| 2653 | I | 84.3 | Confident | 81.2 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -37.5 | 177.9 | -60.2 | 178 | 0 | 0 | 0 | 109.9 | F2650 F2656 R2657 F2693 M2694 N2697 | F2650-I2653 PolarHBondContact O-N 2.89Å; I2653-F2656 PolarHBondContact O-N 3.34Å; I2653-R2657 PolarHBondContact O-N 2.82Å; I2653-F2693 HydrophobicContact CD1-CD1 4.33Å; I2653-F2693 HydrophobicContact CD1-CE1 3.79Å; I2653-M2694 HydrophobicContact CD1-SD 3.59Å; I2653-M2694 VanDerWaalsContact CD1-SD 3.59Å; I2653-M2694 HydrophobicContact CG1-SD 3.81Å; I2653-N2697 HydrophobicContact CD1-CB 3.83Å |
| 2654 | N | 86.2 | Confident | 80.9 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.1 | -67.9 | -27 | 0 | 0 | 0 | 111.4 | F2650 D2651 V2652 F2656 R2657 D2658 | F2650-N2654 PolarHBondContact O-N 3.23Å; F2650-N2654 VanDerWaalsContact O-N 3.12Å; D2651-N2654 PolarHBondContact O-N 3.27Å; V2652-N2654 VanDerWaalsContact C-N 3.35Å; N2654-F2656 VanDerWaalsContact C-N 3.33Å; N2654-F2656 PolarHBondContact O-N 3.32Å; N2654-R2657 WeakPolarHBondContact O-CB 3.24Å; N2654-R2657 PolarHBondContact O-N 3.26Å; N2654-R2657 VanDerWaalsContact O-N 3.15Å; N2654-R2657 PolarHBondContact OD1-NH1 2.94Å; N2654-D2658 WeakPolarHBondContact O-CB 3.21Å; N2654-D2658 PolarHBondContact O-N 3.18Å |
| 2655 | C | 87.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 173.1 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | I2617 N2618 D2651 V2652 R2657 D2658 I2659 | I2617-C2655 HydrophobicContact CG2-CB 4.43Å; N2618-C2655 PolarHBondContact OD1-SG 2.99Å; N2618-C2655 VanDerWaalsContact OD1-SG 3.33Å; D2651-C2655 PolarHBondContact O-N 3.28Å; D2651-C2655 PolarHBondContact O-SG 2.96Å; V2652-C2655 PolarHBondContact O-N 2.92Å; C2655-R2657 VanDerWaalsContact C-N 3.33Å; C2655-R2657 PolarHBondContact O-N 2.93Å; C2655-D2658 PolarHBondContact O-N 3.11Å; C2655-I2659 VanDerWaalsContact O-CG1 3.26Å; C2655-I2659 WeakPolarHBondContact O-CG1 3.46Å; C2655-I2659 PolarHBondContact O-N 2.92Å |
| 2656 | F | 88.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 176.2 | -60.5 | -26 | 0 | 0 | 0 | 112.1 | L2632 V2652 I2653 N2654 L2660 V2676 A2679 I2680 M2694 | L2632-F2656 HydrophobicContact CD2-CE1 3.89Å; L2632-F2656 HydrophobicContact CD2-CZ 4.24Å; V2652-F2656 HydrophobicContact CG1-CE1 4.47Å; V2652-F2656 HydrophobicContact CG1-CE2 3.84Å; V2652-F2656 HydrophobicContact CG1-CZ 3.77Å; V2652-F2656 WeakPolarHBondContact O-CG 3.43Å; V2652-F2656 PolarHBondContact O-N 3.16Å; I2653-F2656 PolarHBondContact O-N 3.34Å; N2654-F2656 VanDerWaalsContact C-N 3.33Å; N2654-F2656 PolarHBondContact O-N 3.32Å; F2656-L2660 WeakPolarHBondContact O-CB 3.15Å; F2656-L2660 VanDerWaalsContact O-CG 3.29Å; F2656-L2660 WeakPolarHBondContact O-CG 3.18Å; F2656-L2660 PolarHBondContact O-N 2.73Å; F2656-V2676 HydrophobicContact CB-CG1 3.85Å; F2656-V2676 HydrophobicContact CD1-CG1 3.83Å; F2656-V2676 HydrophobicContact CD1-CG2 4.35Å; F2656-V2676 HydrophobicContact CG-CG1 4Å; F2656-A2679 HydrophobicContact CE1-CB 3.82Å; F2656-A2679 HydrophobicContact CZ-CB 3.71Å; F2656-I2680 HydrophobicContact CB-CD1 4.48Å; F2656-I2680 HydrophobicContact CD2-CG1 3.91Å; F2656-I2680 HydrophobicContact CE2-CG1 4.3Å; F2656-I2680 HydrophobicContact CG-CG1 4.34Å; F2656-M2694 HydrophobicContact CD2-CE 4.41Å |
| 2657 | R | 87.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 174.7 | 178.3 | -164.1 | 68.2 | -161.7 | -2.2 | 111 | I2653 N2654 C2655 I2659 L2660 L2661 | I2653-R2657 PolarHBondContact O-N 2.82Å; N2654-R2657 WeakPolarHBondContact O-CB 3.24Å; N2654-R2657 PolarHBondContact O-N 3.26Å; N2654-R2657 VanDerWaalsContact O-N 3.15Å; N2654-R2657 PolarHBondContact OD1-NH1 2.94Å; C2655-R2657 VanDerWaalsContact C-N 3.33Å; C2655-R2657 PolarHBondContact O-N 2.93Å; R2657-I2659 PolarHBondContact O-N 2.82Å; R2657-L2660 PolarHBondContact O-N 3.42Å; R2657-L2660 VanDerWaalsContact O-N 3.15Å; R2657-L2661 HydrophobicContact CG-CD1 3.7Å; R2657-L2661 HydrophobicContact CG-CG 4.33Å; R2657-L2661 WeakPolarHBondContact O-CB 3.5Å; R2657-L2661 PolarHBondContact O-N 2.81Å |
| 2658 | D | 86.4 | Confident | 80.3 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -31.1 | -172.8 | -62.5 | -14.7 | 0 | 0 | 0 | 111.3 | N2654 C2655 D2662 | N2654-D2658 WeakPolarHBondContact O-CB 3.21Å; N2654-D2658 PolarHBondContact O-N 3.18Å; C2655-D2658 PolarHBondContact O-N 3.11Å; D2658-D2662 PolarHBondContact O-N 2.87Å |
| 2659 | I | 87.3 | Confident | 80.9 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.9 | -42.8 | 173.7 | -60.7 | 170.2 | 0 | 0 | 0 | 112 | I2617 L2629 C2655 R2657 L2661 T2672 V2676 | I2617-I2659 HydrophobicContact CG2-CD1 3.93Å; L2629-I2659 HydrophobicContact CD1-CD1 3.47Å; L2629-I2659 VanDerWaalsContact CD1-CD1 3.47Å; L2629-I2659 HydrophobicContact CD2-CD1 4.34Å; C2655-I2659 VanDerWaalsContact O-CG1 3.26Å; C2655-I2659 WeakPolarHBondContact O-CG1 3.46Å; C2655-I2659 PolarHBondContact O-N 2.92Å; R2657-I2659 PolarHBondContact O-N 2.82Å; I2659-L2661 VanDerWaalsContact C-N 3.34Å; I2659-T2672 HydrophobicContact CD1-CG2 4.26Å; I2659-T2672 HydrophobicContact CG2-CG2 3.77Å; I2659-V2676 HydrophobicContact CB-CG2 3.99Å; I2659-V2676 HydrophobicContact CD1-CG2 3.62Å; I2659-V2676 HydrophobicContact CG1-CG2 4.4Å; I2659-V2676 HydrophobicContact CG2-CG2 3.72Å |
| 2660 | L | 86.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.1 | -28 | -178.2 | -74.7 | 171 | 0 | 0 | 0 | 113.1 | F2656 R2657 I2673 V2676 L2677 I2680 L2703 F2706 | F2656-L2660 WeakPolarHBondContact O-CB 3.15Å; F2656-L2660 VanDerWaalsContact O-CG 3.29Å; F2656-L2660 WeakPolarHBondContact O-CG 3.18Å; F2656-L2660 PolarHBondContact O-N 2.73Å; R2657-L2660 PolarHBondContact O-N 3.42Å; R2657-L2660 VanDerWaalsContact O-N 3.15Å; L2660-I2673 HydrophobicContact CD2-CG2 4.19Å; L2660-V2676 HydrophobicContact CD1-CG1 4.12Å; L2660-V2676 HydrophobicContact CD2-CG1 4.39Å; L2660-V2676 HydrophobicContact CG-CG1 4.02Å; L2660-L2677 HydrophobicContact CD2-CD2 4.25Å; L2660-I2680 HydrophobicContact CD1-CD1 3.95Å; L2660-L2703 HydrophobicContact CD1-CD2 4.05Å; L2660-F2706 HydrophobicContact CD2-CD2 4.24Å; L2660-F2706 HydrophobicContact CD2-CG 4.2Å; L2660-F2706 WeakPolarHBondContact O-CD2 3.4Å |
| 2661 | L | 84.9 | Confident | 82 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 34% | 0.34 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 18.5 | -175.8 | -55.8 | -177.7 | 0 | 0 | 0 | 112.7 | R2657 I2659 S2663 N2705 | R2657-L2661 HydrophobicContact CG-CD1 3.7Å; R2657-L2661 HydrophobicContact CG-CG 4.33Å; R2657-L2661 WeakPolarHBondContact O-CB 3.5Å; R2657-L2661 PolarHBondContact O-N 2.81Å; I2659-L2661 VanDerWaalsContact C-N 3.34Å; L2661-S2663 PolarHBondContact O-N 3.42Å; L2661-N2705 HydrophobicContact CD2-CB 3.73Å |
| 2662 | D | 81.5 | Confident | 82.3 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | trans | -61.8 | 128.2 | 175.6 | -166.2 | -24.6 | 0 | 0 | 0 | 109.8 | D2658 H2664 L2665 Y2710 | D2658-D2662 PolarHBondContact O-N 2.87Å; D2662-H2664 PolarHBondContact O-N 3.39Å; D2662-H2664 VanDerWaalsContact O-N 3.15Å; D2662-H2664 PolarHBondContact OD1-N 2.93Å; D2662-H2664 VanDerWaalsContact OD1-N 3.12Å; D2662-L2665 HydrophobicContact CB-CD2 4.13Å; D2662-L2665 HydrophobicContact CB-CG 4.14Å; D2662-L2665 WeakPolarHBondContact O-CG 3.43Å; D2662-Y2710 PolarHBondContact O-OH 3.31Å | ||
| 2663 | S | 66.4 | Low | 82.6 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 67% | 0.671 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13 | -178.5 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | L2661 | L2661-S2663 PolarHBondContact O-N 3.42Š|
| 2664 | H | 72.3 | Confident | 82.8 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 72% | 0.718 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 31.5 | -173.2 | -60.8 | -66.3 | 0 | 0 | 0 | 115 | D2662 D2666 | D2662-H2664 PolarHBondContact O-N 3.39Å; D2662-H2664 VanDerWaalsContact O-N 3.15Å; D2662-H2664 PolarHBondContact OD1-N 2.93Å; D2662-H2664 VanDerWaalsContact OD1-N 3.12Å; H2664-D2666 PolarHBondContact O-N 3.23Å |
| 2665 | L | 77.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | trans | -62.9 | 118.9 | 178.1 | -67.8 | 168.9 | 0 | 0 | 0 | 112.8 | D2662 S2669 I2673 F2706 Y2710 R2713 F2716 | D2662-L2665 HydrophobicContact CB-CD2 4.13Å; D2662-L2665 HydrophobicContact CB-CG 4.14Å; D2662-L2665 WeakPolarHBondContact O-CG 3.43Å; L2665-S2669 WeakPolarHBondContact CD2-OG 3.45Å; L2665-I2673 HydrophobicContact CD1-CD1 4.14Å; L2665-I2673 HydrophobicContact CD2-CD1 3.69Å; L2665-I2673 HydrophobicContact CD2-CG1 4.22Å; L2665-I2673 HydrophobicContact CG-CD1 4.42Å; L2665-F2706 HydrophobicContact CD1-CD2 4.45Å; L2665-F2706 HydrophobicContact CD1-CE2 4.17Å; L2665-Y2710 HydrophobicContact CB-CE1 4.18Å; L2665-Y2710 HydrophobicContact CD1-CD2 4.4Å; L2665-Y2710 HydrophobicContact CD1-CE1 4.19Å; L2665-Y2710 HydrophobicContact CD1-CE2 3.73Å; L2665-R2713 PolarHBondContact O-NH1 2.82Å; L2665-F2716 HydrophobicContact CB-CZ 4.23Å | ||
| 2666 | D | 76.4 | Confident | 83.3 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | trans | -116.3 | 177.9 | 175.9 | 71 | -16.1 | 0 | 0 | 0 | 111.6 | H2664 N2668 S2669 | H2664-D2666 PolarHBondContact O-N 3.23Å; D2666-N2668 PolarHBondContact O-N 3.37Å; D2666-N2668 VanDerWaalsContact O-N 3.16Å; D2666-N2668 PolarHBondContact OD1-N 3.26Å; D2666-N2668 PolarHBondContact OD2-ND2 2.95Å; D2666-S2669 PolarHBondContact N-OG 2.77Å; D2666-S2669 WeakPolarHBondContact O-CB 3.5Å; D2666-S2669 PolarHBondContact O-N 3.15Å; D2666-S2669 PolarHBondContact O-OG 2.71Å; D2666-S2669 PolarHBondContact OD1-N 3.45Å | ||
| 2667 | A | 72.2 | Confident | 83.5 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -28.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2669 L2670 E2715 | A2667-S2669 VanDerWaalsContact C-N 3.31Å; A2667-S2669 PolarHBondContact O-N 3.49Å; A2667-L2670 VanDerWaalsContact O-CB 3.3Å; A2667-L2670 WeakPolarHBondContact O-CB 3.49Å; A2667-L2670 PolarHBondContact O-N 3.33Å; A2667-E2715 HydrophobicContact CB-CG 4.43Å |
| 2668 | N | 74.6 | Confident | 83.7 | Confident | 128 Ų | 128 | 46.2 Ų | 46.2 | 68% | 0.684 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.6 | 177.7 | -60.7 | -45.8 | 0 | 0 | 0 | 112.2 | D2666 L2670 | D2666-N2668 PolarHBondContact O-N 3.37Å; D2666-N2668 VanDerWaalsContact O-N 3.16Å; D2666-N2668 PolarHBondContact OD1-N 3.26Å; D2666-N2668 PolarHBondContact OD2-ND2 2.95Å; N2668-L2670 PolarHBondContact O-N 3.48Å |
| 2669 | S | 82.7 | Confident | 83.9 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.1 | -14.8 | 177.4 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | L2665 D2666 A2667 Y2671 T2672 I2673 | L2665-S2669 WeakPolarHBondContact CD2-OG 3.45Å; D2666-S2669 PolarHBondContact N-OG 2.77Å; D2666-S2669 WeakPolarHBondContact O-CB 3.5Å; D2666-S2669 PolarHBondContact O-N 3.15Å; D2666-S2669 PolarHBondContact O-OG 2.71Å; D2666-S2669 PolarHBondContact OD1-N 3.45Å; A2667-S2669 VanDerWaalsContact C-N 3.31Å; A2667-S2669 PolarHBondContact O-N 3.49Å; S2669-Y2671 VanDerWaalsContact C-N 3.31Å; S2669-Y2671 PolarHBondContact O-N 2.77Å; S2669-T2672 PolarHBondContact O-N 3.29Å; S2669-T2672 VanDerWaalsContact O-N 3.12Å; S2669-I2673 PolarHBondContact O-N 3.39Å |
| 2670 | L | 85.6 | Confident | 84.1 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.9 | -41.6 | -176.1 | -176.4 | 69 | 0 | 0 | 0 | 112.9 | A2667 N2668 T2674 F2716 V2719 | A2667-L2670 VanDerWaalsContact O-CB 3.3Å; A2667-L2670 WeakPolarHBondContact O-CB 3.49Å; A2667-L2670 PolarHBondContact O-N 3.33Å; N2668-L2670 PolarHBondContact O-N 3.48Å; L2670-T2674 WeakPolarHBondContact O-CB 3.37Å; L2670-T2674 PolarHBondContact O-N 3.12Å; L2670-T2674 PolarHBondContact O-OG1 2.82Å; L2670-F2716 HydrophobicContact CB-CE1 4.42Å; L2670-F2716 HydrophobicContact CD1-CD1 3.61Å; L2670-F2716 HydrophobicContact CD1-CE1 4.11Å; L2670-V2719 HydrophobicContact CD1-CG2 3.4Å; L2670-V2719 VanDerWaalsContact CD1-CG2 3.4Å |
| 2671 | Y | 87.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 45 Ų | 45 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 178.4 | 175.7 | -105.7 | 0 | 0 | 0 | 111.1 | E2626 S2669 I2673 T2674 V2675 | E2626-Y2671 HydrophobicContact CB-CD1 4.5Å; E2626-Y2671 HydrophobicContact CB-CE1 4.03Å; E2626-Y2671 VanDerWaalsContact CD-CD1 3.47Å; E2626-Y2671 HydrophobicContact CG-CD1 3.93Å; E2626-Y2671 HydrophobicContact CG-CE1 3.98Å; E2626-Y2671 WeakPolarHBondContact OE2-CD1 3.27Å; E2626-Y2671 WeakPolarHBondContact OE2-CE1 3.48Å; S2669-Y2671 VanDerWaalsContact C-N 3.31Å; S2669-Y2671 PolarHBondContact O-N 2.77Å; Y2671-I2673 PolarHBondContact O-N 3.41Å; Y2671-T2674 WeakPolarHBondContact O-CB 3.25Å; Y2671-T2674 PolarHBondContact O-N 2.81Å; Y2671-T2674 VanDerWaalsContact O-N 3.16Å; Y2671-V2675 HydrophobicContact CE1-CG2 4.15Å; Y2671-V2675 HydrophobicContact CE2-CG2 4.15Å; Y2671-V2675 WeakPolarHBondContact O-CG2 3.25Å; Y2671-V2675 PolarHBondContact O-N 2.57Å |
| 2672 | T | 88 | Confident | 84.5 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L2629 I2659 S2669 T2674 V2675 V2676 | L2629-T2672 HydrophobicContact CD2-CG2 3.68Å; L2629-T2672 WeakPolarHBondContact CD2-O 3.27Å; I2659-T2672 HydrophobicContact CD1-CG2 4.26Å; I2659-T2672 HydrophobicContact CG2-CG2 3.77Å; S2669-T2672 PolarHBondContact O-N 3.29Å; S2669-T2672 VanDerWaalsContact O-N 3.12Å; T2672-T2674 VanDerWaalsContact C-N 3.34Å; T2672-T2674 PolarHBondContact O-N 2.97Å; T2672-V2675 PolarHBondContact O-N 2.56Å; T2672-V2676 WeakPolarHBondContact O-CG2 3.32Å; T2672-V2676 PolarHBondContact O-N 2.94Å |
| 2673 | I | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 175 | -69.6 | 163.3 | 0 | 0 | 0 | 110.9 | L2660 L2665 S2669 Y2671 V2675 V2676 L2677 F2706 F2716 | L2660-I2673 HydrophobicContact CD2-CG2 4.19Å; L2665-I2673 HydrophobicContact CD1-CD1 4.14Å; L2665-I2673 HydrophobicContact CD2-CD1 3.69Å; L2665-I2673 HydrophobicContact CD2-CG1 4.22Å; L2665-I2673 HydrophobicContact CG-CD1 4.42Å; S2669-I2673 PolarHBondContact O-N 3.39Å; Y2671-I2673 PolarHBondContact O-N 3.41Å; I2673-V2675 VanDerWaalsContact C-N 3.29Å; I2673-V2675 PolarHBondContact O-N 3.42Å; I2673-V2676 PolarHBondContact O-N 3.21Å; I2673-L2677 HydrophobicContact CG2-CD1 3.75Å; I2673-L2677 HydrophobicContact CG2-CG 4.22Å; I2673-L2677 WeakPolarHBondContact O-CG 3.29Å; I2673-L2677 PolarHBondContact O-N 2.94Å; I2673-F2706 HydrophobicContact CD1-CE2 3.9Å; I2673-F2706 HydrophobicContact CD1-CZ 4.19Å; I2673-F2706 HydrophobicContact CG2-CE1 4.43Å; I2673-F2706 HydrophobicContact CG2-CE2 4.29Å; I2673-F2706 HydrophobicContact CG2-CZ 3.87Å; I2673-F2716 HydrophobicContact CD1-CD1 4Å; I2673-F2716 HydrophobicContact CD1-CE1 3.47Å; I2673-F2716 VanDerWaalsContact CD1-CE1 3.47Å; I2673-F2716 HydrophobicContact CD1-CZ 4.26Å |
| 2674 | T | 90.2 | Very high | 85.8 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 23% | 0.233 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -40 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L2670 Y2671 T2672 S2678 | L2670-T2674 WeakPolarHBondContact O-CB 3.37Å; L2670-T2674 PolarHBondContact O-N 3.12Å; L2670-T2674 PolarHBondContact O-OG1 2.82Å; Y2671-T2674 WeakPolarHBondContact O-CB 3.25Å; Y2671-T2674 PolarHBondContact O-N 2.81Å; Y2671-T2674 VanDerWaalsContact O-N 3.16Å; T2672-T2674 VanDerWaalsContact C-N 3.34Å; T2672-T2674 PolarHBondContact O-N 2.97Å; T2674-S2678 WeakPolarHBondContact O-CB 3.34Å; T2674-S2678 PolarHBondContact O-N 2.91Å |
| 2675 | V | 91.6 | Very high | 86.5 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -42 | 175.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L2629 V2630 R2633 Y2671 T2672 I2673 S2678 A2679 | L2629-V2675 HydrophobicContact CB-CG1 4.22Å; L2629-V2675 HydrophobicContact CD2-CB 3.63Å; L2629-V2675 HydrophobicContact CD2-CG1 3.48Å; L2629-V2675 VanDerWaalsContact CD2-CG1 3.48Å; L2629-V2675 HydrophobicContact CG-CB 4.46Å; L2629-V2675 HydrophobicContact CG-CG1 3.78Å; V2630-V2675 HydrophobicContact CG2-CG1 3.86Å; V2630-V2675 HydrophobicContact CG2-CG2 4.05Å; R2633-V2675 HydrophobicContact CB-CG1 4.16Å; R2633-V2675 HydrophobicContact CG-CG1 4.44Å; Y2671-V2675 HydrophobicContact CE1-CG2 4.15Å; Y2671-V2675 HydrophobicContact CE2-CG2 4.15Å; Y2671-V2675 WeakPolarHBondContact O-CG2 3.25Å; Y2671-V2675 PolarHBondContact O-N 2.57Å; T2672-V2675 PolarHBondContact O-N 2.56Å; I2673-V2675 VanDerWaalsContact C-N 3.29Å; I2673-V2675 PolarHBondContact O-N 3.42Å; V2675-S2678 CarbonylContact O-C 3.57Å; V2675-S2678 WeakPolarHBondContact O-CB 3.43Å; V2675-S2678 PolarHBondContact O-N 3.22Å; V2675-A2679 WeakPolarHBondContact O-CB 3.22Å; V2675-A2679 PolarHBondContact O-N 3.48Å |
| 2676 | V | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L2629 F2656 I2659 L2660 T2672 I2673 S2678 A2679 I2680 | L2629-V2676 HydrophobicContact CD1-CG2 4.01Å; L2629-V2676 HydrophobicContact CD2-CG2 3.65Å; L2629-V2676 HydrophobicContact CG-CG2 4.33Å; F2656-V2676 HydrophobicContact CB-CG1 3.85Å; F2656-V2676 HydrophobicContact CD1-CG1 3.83Å; F2656-V2676 HydrophobicContact CD1-CG2 4.35Å; F2656-V2676 HydrophobicContact CG-CG1 4Å; I2659-V2676 HydrophobicContact CB-CG2 3.99Å; I2659-V2676 HydrophobicContact CD1-CG2 3.62Å; I2659-V2676 HydrophobicContact CG1-CG2 4.4Å; I2659-V2676 HydrophobicContact CG2-CG2 3.72Å; L2660-V2676 HydrophobicContact CD1-CG1 4.12Å; L2660-V2676 HydrophobicContact CD2-CG1 4.39Å; L2660-V2676 HydrophobicContact CG-CG1 4.02Å; T2672-V2676 WeakPolarHBondContact O-CG2 3.32Å; T2672-V2676 PolarHBondContact O-N 2.94Å; I2673-V2676 PolarHBondContact O-N 3.21Å; V2676-S2678 VanDerWaalsContact C-N 3.28Å; V2676-S2678 PolarHBondContact O-N 2.97Å; V2676-A2679 WeakPolarHBondContact O-CA 3.11Å; V2676-A2679 WeakPolarHBondContact O-CB 3.35Å; V2676-A2679 PolarHBondContact O-N 3.47Å; V2676-I2680 HydrophobicContact CG1-CD1 3.94Å; V2676-I2680 HydrophobicContact CG1-CG1 4.41Å; V2676-I2680 WeakPolarHBondContact O-CG1 3.41Å; V2676-I2680 PolarHBondContact O-N 2.91Å |
| 2677 | L | 92.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 178.3 | -68 | 171.1 | 0 | 0 | 0 | 111.2 | L2660 I2673 A2679 I2680 E2681 L2703 V2719 V2723 L2726 | L2660-L2677 HydrophobicContact CD2-CD2 4.25Å; I2673-L2677 HydrophobicContact CG2-CD1 3.75Å; I2673-L2677 HydrophobicContact CG2-CG 4.22Å; I2673-L2677 WeakPolarHBondContact O-CG 3.29Å; I2673-L2677 PolarHBondContact O-N 2.94Å; L2677-A2679 VanDerWaalsContact C-N 3.32Å; L2677-A2679 PolarHBondContact O-N 3.34Å; L2677-I2680 PolarHBondContact O-N 3.44Å; L2677-E2681 WeakPolarHBondContact O-CB 3.37Å; L2677-E2681 PolarHBondContact O-N 2.88Å; L2677-L2703 HydrophobicContact CD2-CD2 3.5Å; L2677-V2719 HydrophobicContact CD1-CB 4.05Å; L2677-V2719 HydrophobicContact CD1-CG1 3.34Å; L2677-V2723 HydrophobicContact CD1-CG2 3.62Å; L2677-V2723 HydrophobicContact CD2-CG2 3.84Å; L2677-V2723 HydrophobicContact CG-CG2 4.41Å; L2677-L2726 HydrophobicContact CB-CD1 4.31Å; L2677-L2726 HydrophobicContact CD2-CD1 3.98Å |
| 2678 | S | 92.4 | Very high | 87.7 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -36.4 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | R2633 T2674 V2675 V2676 E2681 A2682 | R2633-S2678 PolarHBondContact NE-OG 3.36Å; T2674-S2678 WeakPolarHBondContact O-CB 3.34Å; T2674-S2678 PolarHBondContact O-N 2.91Å; V2675-S2678 CarbonylContact O-C 3.57Å; V2675-S2678 WeakPolarHBondContact O-CB 3.43Å; V2675-S2678 PolarHBondContact O-N 3.22Å; V2676-S2678 VanDerWaalsContact C-N 3.28Å; V2676-S2678 PolarHBondContact O-N 2.97Å; S2678-E2681 PolarHBondContact O-N 3.15Å; S2678-A2682 WeakPolarHBondContact O-CB 3.38Å; S2678-A2682 PolarHBondContact O-N 2.75Å |
| 2679 | A | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R2633 F2656 V2675 V2676 L2677 E2681 A2682 S2683 | R2633-A2679 HydrophobicContact CB-CB 3.75Å; R2633-A2679 HydrophobicContact CG-CB 3.93Å; F2656-A2679 HydrophobicContact CE1-CB 3.82Å; F2656-A2679 HydrophobicContact CZ-CB 3.71Å; V2675-A2679 WeakPolarHBondContact O-CB 3.22Å; V2675-A2679 PolarHBondContact O-N 3.48Å; V2676-A2679 WeakPolarHBondContact O-CA 3.11Å; V2676-A2679 WeakPolarHBondContact O-CB 3.35Å; V2676-A2679 PolarHBondContact O-N 3.47Å; L2677-A2679 VanDerWaalsContact C-N 3.32Å; L2677-A2679 PolarHBondContact O-N 3.34Å; A2679-E2681 VanDerWaalsContact C-N 3.33Å; A2679-A2682 PolarHBondContact O-N 3.4Å; A2679-S2683 WeakPolarHBondContact O-CB 3.45Å; A2679-S2683 PolarHBondContact O-N 3.25Å; A2679-S2683 PolarHBondContact O-OG 3.31Å |
| 2680 | I | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.6 | -64.4 | 168.7 | 0 | 0 | 0 | 109.7 | F2656 L2660 V2676 L2677 S2683 I2684 M2694 L2703 L2726 | F2656-I2680 HydrophobicContact CB-CD1 4.48Å; F2656-I2680 HydrophobicContact CD2-CG1 3.91Å; F2656-I2680 HydrophobicContact CE2-CG1 4.3Å; F2656-I2680 HydrophobicContact CG-CG1 4.34Å; L2660-I2680 HydrophobicContact CD1-CD1 3.95Å; V2676-I2680 HydrophobicContact CG1-CD1 3.94Å; V2676-I2680 HydrophobicContact CG1-CG1 4.41Å; V2676-I2680 WeakPolarHBondContact O-CG1 3.41Å; V2676-I2680 PolarHBondContact O-N 2.91Å; L2677-I2680 PolarHBondContact O-N 3.44Å; I2680-S2683 WeakPolarHBondContact O-CB 3.46Å; I2680-S2683 PolarHBondContact O-N 3.19Å; I2680-I2684 WeakPolarHBondContact O-CG1 3.43Å; I2680-I2684 PolarHBondContact O-N 2.86Å; I2680-I2684 VanDerWaalsContact O-N 3.09Å; I2680-M2694 HydrophobicContact CG1-CE 4.42Å; I2680-M2694 HydrophobicContact CG2-CE 4.31Å; I2680-L2703 HydrophobicContact CD1-CD2 4.13Å; I2680-L2726 HydrophobicContact CB-CD1 4.38Å; I2680-L2726 HydrophobicContact CG2-CD1 4.24Å; I2680-L2726 HydrophobicContact CG2-CD2 4.35Å |
| 2681 | E | 90.9 | Very high | 88.4 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 23% | 0.229 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59 | -50 | 176.9 | -170.1 | 162.5 | -154.6 | 0 | 0 | 112.1 | L2677 S2678 A2679 S2683 I2684 H2685 R2722 L2726 K2729 | L2677-E2681 WeakPolarHBondContact O-CB 3.37Å; L2677-E2681 PolarHBondContact O-N 2.88Å; S2678-E2681 PolarHBondContact O-N 3.15Å; A2679-E2681 VanDerWaalsContact C-N 3.33Å; E2681-S2683 VanDerWaalsContact C-N 3.27Å; E2681-S2683 PolarHBondContact O-N 3.48Å; E2681-I2684 WeakPolarHBondContact O-CG1 3.25Å; E2681-I2684 PolarHBondContact O-N 2.97Å; E2681-H2685 WeakPolarHBondContact O-CB 3.38Å; E2681-H2685 PolarHBondContact O-N 2.87Å; E2681-H2685 VanDerWaalsContact O-N 3.09Å; E2681-R2722 IonicContact OE2-NE 3.44Å; E2681-L2726 HydrophobicContact CB-CD2 3.79Å; E2681-L2726 HydrophobicContact CG-CD2 4.09Å; E2681-K2729 IonicContact OE1-NZ 3.14Å; E2681-K2729 PolarHBondContact OE1-NZ 3.37Å; E2681-K2729 VanDerWaalsContact OE1-NZ 3.14Å |
| 2682 | A | 89.6 | Confident | 88.3 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | C2636 T2637 K2642 S2678 A2679 I2684 | C2636-A2682 HydrophobicContact CB-CB 4.06Å; C2636-A2682 CarbonylContact O-C 3.13Å; T2637-A2682 HydrophobicContact CG2-CB 3.79Å; K2642-A2682 PolarHBondContact NZ-O 3.26Å; K2642-A2682 VanDerWaalsContact NZ-O 3.09Å; S2678-A2682 WeakPolarHBondContact O-CB 3.38Å; S2678-A2682 PolarHBondContact O-N 2.75Å; A2679-A2682 PolarHBondContact O-N 3.4Å; A2682-I2684 PolarHBondContact O-N 3.28Å |
| 2683 | S | 87.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 179.7 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | C2636 K2642 A2679 I2680 E2681 I2690 | C2636-S2683 WeakPolarHBondContact CB-OG 3.36Å; C2636-S2683 PolarHBondContact SG-OG 2.89Å; C2636-S2683 VanDerWaalsContact SG-OG 3.34Å; K2642-S2683 PolarHBondContact NZ-O 2.94Å; A2679-S2683 WeakPolarHBondContact O-CB 3.45Å; A2679-S2683 PolarHBondContact O-N 3.25Å; A2679-S2683 PolarHBondContact O-OG 3.31Å; I2680-S2683 WeakPolarHBondContact O-CB 3.46Å; I2680-S2683 PolarHBondContact O-N 3.19Å; E2681-S2683 VanDerWaalsContact C-N 3.27Å; E2681-S2683 PolarHBondContact O-N 3.48Å; S2683-I2690 WeakPolarHBondContact O-CG2 3.27Å |
| 2684 | I | 88.4 | Confident | 88 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -84.2 | -18.9 | -176 | 67.3 | 174.8 | 0 | 0 | 0 | 114.1 | I2680 E2681 A2682 N2686 S2687 M2694 L2726 K2729 L2730 | I2680-I2684 WeakPolarHBondContact O-CG1 3.43Å; I2680-I2684 PolarHBondContact O-N 2.86Å; I2680-I2684 VanDerWaalsContact O-N 3.09Å; E2681-I2684 WeakPolarHBondContact O-CG1 3.25Å; E2681-I2684 PolarHBondContact O-N 2.97Å; A2682-I2684 PolarHBondContact O-N 3.28Å; I2684-N2686 PolarHBondContact O-N 2.92Å; I2684-S2687 PolarHBondContact O-N 3.37Å; I2684-M2694 HydrophobicContact CG2-CG 4.3Å; I2684-L2726 HydrophobicContact CD1-CD2 3.57Å; I2684-L2726 HydrophobicContact CG1-CD2 4.37Å; I2684-K2729 HydrophobicContact CD1-CB 3.84Å; I2684-K2729 HydrophobicContact CD1-CD 4.17Å; I2684-L2730 HydrophobicContact CD1-CG 4.36Å; I2684-L2730 HydrophobicContact CG2-CD2 3.87Å; I2684-L2730 HydrophobicContact CG2-CG 4.5Å |
| 2685 | H | 86.5 | Confident | 87.7 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 126.4 | -175.3 | -176.8 | -92.3 | 0 | 0 | 0 | 112.7 | K2642 E2681 S2687 | K2642-H2685 PolarHBondContact NZ-O 2.88Å; E2681-H2685 WeakPolarHBondContact O-CB 3.38Å; E2681-H2685 PolarHBondContact O-N 2.87Å; E2681-H2685 VanDerWaalsContact O-N 3.09Å; H2685-S2687 PolarHBondContact O-N 2.78Å; H2685-S2687 VanDerWaalsContact O-N 3.11Å |
| 2686 | N | 83.4 | Confident | 87.3 | Confident | 147 Ų | 147 | 51.1 Ų | 51.1 | 79% | 0.786 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 27.1 | 179.8 | -67.1 | -5.6 | 0 | 0 | 0 | 116.1 | I2684 | I2684-N2686 PolarHBondContact O-N 2.92Š|
| 2687 | S | 84.3 | Confident | 86.9 | Confident | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 27% | 0.266 | C | S | . | . | trans | -141.3 | 100.6 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | I2684 H2685 K2689 I2690 R2691 | I2684-S2687 PolarHBondContact O-N 3.37Å; H2685-S2687 PolarHBondContact O-N 2.78Å; H2685-S2687 VanDerWaalsContact O-N 3.11Å; S2687-K2689 VanDerWaalsContact C-N 3.3Å; S2687-K2689 PolarHBondContact O-N 3.07Å; S2687-I2690 PolarHBondContact O-N 2.88Å; S2687-I2690 WeakPolarHBondContact OG-CG1 3.34Å; S2687-I2690 PolarHBondContact OG-N 2.94Å; S2687-R2691 WeakPolarHBondContact O-CB 3.48Å; S2687-R2691 PolarHBondContact O-N 3.2Å | ||
| 2688 | K | 83.7 | Confident | 86.5 | Confident | 175 Ų | 175 | 55.5 Ų | 55.5 | 76% | 0.761 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.4 | -41.2 | 174.6 | -70.8 | -175.5 | 178.5 | -178.6 | 0 | 111.6 | I2690 R2691 V2692 | K2688-I2690 PolarHBondContact O-N 3.34Å; K2688-R2691 PolarHBondContact O-N 3.39Å; K2688-V2692 WeakPolarHBondContact O-CG2 3.38Å; K2688-V2692 PolarHBondContact O-N 3.49Å |
| 2689 | K | 84.9 | Confident | 86.1 | Confident | 151 Ų | 151 | 54.8 Ų | 54.8 | 66% | 0.657 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.2 | -47.2 | 178.4 | -175.9 | 178.6 | 178.8 | 178.9 | 0 | 112.1 | S2687 F2693 | S2687-K2689 VanDerWaalsContact C-N 3.3Å; S2687-K2689 PolarHBondContact O-N 3.07Å; K2689-F2693 WeakPolarHBondContact O-CB 3.37Å; K2689-F2693 PolarHBondContact O-N 3.44Å |
| 2690 | I | 85.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.7 | -36.9 | -178.9 | -64.8 | 171.1 | 0 | 0 | 0 | 111.2 | K2642 L2646 S2683 S2687 K2688 V2692 F2693 M2694 | K2642-I2690 HydrophobicContact CB-CD1 4.36Å; K2642-I2690 HydrophobicContact CD-CD1 3.98Å; K2642-I2690 HydrophobicContact CG-CD1 3.55Å; L2646-I2690 HydrophobicContact CD1-CD1 4.39Å; L2646-I2690 HydrophobicContact CD1-CG2 3.55Å; S2683-I2690 WeakPolarHBondContact O-CG2 3.27Å; S2687-I2690 PolarHBondContact O-N 2.88Å; S2687-I2690 WeakPolarHBondContact OG-CG1 3.34Å; S2687-I2690 PolarHBondContact OG-N 2.94Å; K2688-I2690 PolarHBondContact O-N 3.34Å; I2690-V2692 VanDerWaalsContact C-N 3.33Å; I2690-V2692 PolarHBondContact O-N 2.81Å; I2690-F2693 CarbonylContact O-C 3.3Å; I2690-F2693 PolarHBondContact O-N 3.43Å; I2690-M2694 HydrophobicContact CG2-CG 3.93Å; I2690-M2694 WeakPolarHBondContact O-CB 3.36Å; I2690-M2694 VanDerWaalsContact O-CG 3.28Å; I2690-M2694 WeakPolarHBondContact O-CG 3.34Å; I2690-M2694 PolarHBondContact O-N 2.84Å |
| 2691 | R | 87.1 | Confident | 85.8 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 175.1 | -174.3 | -167.7 | -66.8 | -169.2 | 4.5 | 111.5 | S2687 K2688 M2694 K2695 K2729 L2730 G2732 | S2687-R2691 WeakPolarHBondContact O-CB 3.48Å; S2687-R2691 PolarHBondContact O-N 3.2Å; K2688-R2691 PolarHBondContact O-N 3.39Å; R2691-M2694 PolarHBondContact O-N 2.97Å; R2691-K2695 WeakPolarHBondContact O-CB 3.49Å; R2691-K2695 PolarHBondContact O-N 2.92Å; R2691-K2729 WeakPolarHBondContact CD-O 3.45Å; R2691-K2729 WeakPolarHBondContact CG-O 3.38Å; R2691-K2729 PolarHBondContact NE-O 3.33Å; R2691-L2730 HydrophobicContact CG-CD2 4.03Å; R2691-G2732 VanDerWaalsContact CD-OXT 3.23Å; R2691-G2732 WeakPolarHBondContact CD-OXT 3.49Å; R2691-G2732 PolarHBondContact NH1-OXT 3.28Å |
| 2692 | V | 85.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 62.9 Ų | 62.9 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 174.3 | 175 | 0 | 0 | 0 | 0 | 110.8 | K2688 I2690 M2694 K2695 S2696 | K2688-V2692 WeakPolarHBondContact O-CG2 3.38Å; K2688-V2692 PolarHBondContact O-N 3.49Å; I2690-V2692 VanDerWaalsContact C-N 3.33Å; I2690-V2692 PolarHBondContact O-N 2.81Å; V2692-M2694 PolarHBondContact O-N 2.85Å; V2692-K2695 WeakPolarHBondContact O-CB 3.36Å; V2692-K2695 PolarHBondContact O-N 3.49Å; V2692-S2696 PolarHBondContact O-N 3.39Å; V2692-S2696 PolarHBondContact O-OG 2.87Å |
| 2693 | F | 86.6 | Confident | 85.6 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.3 | -178.7 | -95 | 0 | 0 | 0 | 113.6 | L2646 T2647 F2650 I2653 K2689 I2690 K2695 S2696 N2697 | L2646-F2693 WeakPolarHBondContact O-CE1 3.38Å; L2646-F2693 WeakPolarHBondContact O-CZ 3.42Å; T2647-F2693 HydrophobicContact CG2-CD1 4.47Å; T2647-F2693 HydrophobicContact CG2-CD2 4.22Å; T2647-F2693 HydrophobicContact CG2-CE2 4.34Å; T2647-F2693 HydrophobicContact CG2-CG 4.28Å; F2650-F2693 HydrophobicContact CD1-CZ 4.35Å; F2650-F2693 HydrophobicContact CE1-CE2 4.26Å; F2650-F2693 AromaticContact CE1-CZ 3.82Å; F2650-F2693 HydrophobicContact CE1-CZ 3.82Å; F2650-F2693 HydrophobicContact CZ-CZ 4.4Å; I2653-F2693 HydrophobicContact CD1-CD1 4.33Å; I2653-F2693 HydrophobicContact CD1-CE1 3.79Å; K2689-F2693 WeakPolarHBondContact O-CB 3.37Å; K2689-F2693 PolarHBondContact O-N 3.44Å; I2690-F2693 CarbonylContact O-C 3.3Å; I2690-F2693 PolarHBondContact O-N 3.43Å; F2693-K2695 VanDerWaalsContact C-N 3.33Å; F2693-S2696 WeakPolarHBondContact CA-OG 3.3Å; F2693-S2696 PolarHBondContact O-N 3.15Å; F2693-S2696 PolarHBondContact O-OG 3.18Å; F2693-N2697 WeakPolarHBondContact CE1-ND2 3.31Å; F2693-N2697 VanDerWaalsContact CE2-ND2 3.27Å; F2693-N2697 WeakPolarHBondContact CE2-ND2 3.38Å; F2693-N2697 WeakPolarHBondContact CZ-ND2 3.4Å; F2693-N2697 WeakPolarHBondContact O-CB 3.37Å; F2693-N2697 PolarHBondContact O-N 2.73Å; F2693-N2697 VanDerWaalsContact O-N 3.09Å; F2693-N2697 PolarHBondContact O-ND2 2.92Å |
| 2694 | M | 85.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176.7 | -70.9 | -70.7 | -82.6 | 0 | 0 | 110.9 | L2646 I2653 F2656 I2680 I2684 I2690 R2691 V2692 N2697 C2699 L2730 | L2646-M2694 HydrophobicContact CD2-SD 4.37Å; I2653-M2694 HydrophobicContact CD1-SD 3.59Å; I2653-M2694 VanDerWaalsContact CD1-SD 3.59Å; I2653-M2694 HydrophobicContact CG1-SD 3.81Å; F2656-M2694 HydrophobicContact CD2-CE 4.41Å; I2680-M2694 HydrophobicContact CG1-CE 4.42Å; I2680-M2694 HydrophobicContact CG2-CE 4.31Å; I2684-M2694 HydrophobicContact CG2-CG 4.3Å; I2690-M2694 HydrophobicContact CG2-CG 3.93Å; I2690-M2694 WeakPolarHBondContact O-CB 3.36Å; I2690-M2694 VanDerWaalsContact O-CG 3.28Å; I2690-M2694 WeakPolarHBondContact O-CG 3.34Å; I2690-M2694 PolarHBondContact O-N 2.84Å; R2691-M2694 PolarHBondContact O-N 2.97Å; V2692-M2694 PolarHBondContact O-N 2.85Å; M2694-N2697 CarbonylContact O-C 3.49Å; M2694-N2697 PolarHBondContact O-N 2.73Å; M2694-C2699 HydrophobicContact CB-CB 4.22Å; M2694-C2699 HydrophobicContact CE-CB 4.12Å; M2694-C2699 VanDerWaalsContact CE-SG 3.55Å; M2694-C2699 WeakPolarHBondContact O-CB 3.23Å; M2694-C2699 PolarHBondContact O-N 3.1Å; M2694-C2699 VanDerWaalsContact O-N 3.16Å; M2694-L2730 HydrophobicContact CB-CD2 3.89Å |
| 2695 | K | 84.4 | Confident | 85.6 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.3 | -168.4 | -173.7 | -168.6 | 170 | 0 | 111.5 | R2691 V2692 F2693 N2697 S2698 L2700 L2730 Q2731 | R2691-K2695 WeakPolarHBondContact O-CB 3.49Å; R2691-K2695 PolarHBondContact O-N 2.92Å; V2692-K2695 WeakPolarHBondContact O-CB 3.36Å; V2692-K2695 PolarHBondContact O-N 3.49Å; F2693-K2695 VanDerWaalsContact C-N 3.33Å; K2695-N2697 VanDerWaalsContact C-N 3.26Å; K2695-N2697 PolarHBondContact O-N 2.7Å; K2695-S2698 PolarHBondContact O-N 3.14Å; K2695-L2700 HydrophobicContact CG-CD2 4.47Å; K2695-L2730 VanDerWaalsContact CD-O 3.29Å; K2695-L2730 WeakPolarHBondContact CD-O 3.5Å; K2695-Q2731 PolarHBondContact NZ-O 3.49Å |
| 2696 | S | 83.7 | Confident | 85.6 | Confident | 85 Ų | 85 | 61.2 Ų | 61.2 | 59% | 0.594 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.3 | -26.1 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | V2692 F2693 S2698 | V2692-S2696 PolarHBondContact O-N 3.39Å; V2692-S2696 PolarHBondContact O-OG 2.87Å; F2693-S2696 WeakPolarHBondContact CA-OG 3.3Å; F2693-S2696 PolarHBondContact O-N 3.15Å; F2693-S2696 PolarHBondContact O-OG 3.18Å; S2696-S2698 PolarHBondContact O-N 3.38Å |
| 2697 | N | 83.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 43 | 178.1 | -68.6 | -64.3 | 0 | 0 | 0 | 113 | F2650 I2653 F2693 M2694 K2695 C2699 | F2650-N2697 VanDerWaalsContact CE1-OD1 3.29Å; F2650-N2697 WeakPolarHBondContact CE1-OD1 3.23Å; I2653-N2697 HydrophobicContact CD1-CB 3.83Å; F2693-N2697 WeakPolarHBondContact CE1-ND2 3.31Å; F2693-N2697 VanDerWaalsContact CE2-ND2 3.27Å; F2693-N2697 WeakPolarHBondContact CE2-ND2 3.38Å; F2693-N2697 WeakPolarHBondContact CZ-ND2 3.4Å; F2693-N2697 WeakPolarHBondContact O-CB 3.37Å; F2693-N2697 PolarHBondContact O-N 2.73Å; F2693-N2697 VanDerWaalsContact O-N 3.09Å; F2693-N2697 PolarHBondContact O-ND2 2.92Å; M2694-N2697 CarbonylContact O-C 3.49Å; M2694-N2697 PolarHBondContact O-N 2.73Å; K2695-N2697 VanDerWaalsContact C-N 3.26Å; K2695-N2697 PolarHBondContact O-N 2.7Å; N2697-C2699 PolarHBondContact O-N 3.48Å |
| 2698 | S | 83.9 | Confident | 85.9 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 10.5 | 171.2 | 66.4 | 0 | 0 | 0 | 0 | 117.6 | K2695 S2696 L2700 R2701 H2702 | K2695-S2698 PolarHBondContact O-N 3.14Å; S2696-S2698 PolarHBondContact O-N 3.38Å; S2698-L2700 PolarHBondContact O-N 2.91Å; S2698-R2701 WeakPolarHBondContact O-CA 3.29Å; S2698-R2701 WeakPolarHBondContact O-CB 3.49Å; S2698-R2701 PolarHBondContact O-N 3.04Å; S2698-H2702 PolarHBondContact O-CD2 3.42Å; S2698-H2702 PolarHBondContact O-N 2.8Å; S2698-H2702 PolarHBondContact O-ND1 3.33Å; S2698-H2702 PolarHBondContact OG-CE1 2.82Å; S2698-H2702 VanDerWaalsContact OG-CE1 3.24Å; S2698-H2702 PolarHBondContact OG-NE2 3.45Å; S2698-H2702 VanDerWaalsContact OG-NE2 3.1Å |
| 2699 | C | 84.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 178.7 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | M2694 N2697 R2701 H2702 L2703 | M2694-C2699 HydrophobicContact CB-CB 4.22Å; M2694-C2699 HydrophobicContact CE-CB 4.12Å; M2694-C2699 VanDerWaalsContact CE-SG 3.55Å; M2694-C2699 WeakPolarHBondContact O-CB 3.23Å; M2694-C2699 PolarHBondContact O-N 3.1Å; M2694-C2699 VanDerWaalsContact O-N 3.16Å; N2697-C2699 PolarHBondContact O-N 3.48Å; C2699-R2701 VanDerWaalsContact C-N 3.31Å; C2699-R2701 PolarHBondContact O-N 3.28Å; C2699-H2702 PolarHBondContact O-N 2.8Å; C2699-L2703 PolarHBondContact O-N 3.44Å; C2699-L2703 VanDerWaalsContact O-N 3.11Å |
| 2700 | L | 86.2 | Confident | 85.8 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 171 | -176.1 | 70.2 | 0 | 0 | 0 | 110.9 | K2695 S2698 L2703 T2704 I2727 L2730 Q2731 | K2695-L2700 HydrophobicContact CG-CD2 4.47Å; S2698-L2700 PolarHBondContact O-N 2.91Å; L2700-L2703 PolarHBondContact O-N 2.84Å; L2700-T2704 PolarHBondContact O-N 3.27Å; L2700-T2704 PolarHBondContact O-OG1 3.47Å; L2700-I2727 HydrophobicContact CD1-CB 4.43Å; L2700-I2727 HydrophobicContact CD1-CG2 4.05Å; L2700-L2730 HydrophobicContact CD1-CB 3.88Å; L2700-Q2731 HydrophobicContact CD1-CG 3.97Å; L2700-Q2731 HydrophobicContact CD2-CG 4.1Å |
| 2701 | R | 86.8 | Confident | 85.6 | Confident | 169 Ų | 169 | 56.5 Ų | 56.5 | 64% | 0.638 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 178.7 | -173.2 | 177.5 | -179.8 | 159.4 | -0.4 | 112.2 | S2698 C2699 L2703 T2704 N2705 | S2698-R2701 WeakPolarHBondContact O-CA 3.29Å; S2698-R2701 WeakPolarHBondContact O-CB 3.49Å; S2698-R2701 PolarHBondContact O-N 3.04Å; C2699-R2701 VanDerWaalsContact C-N 3.31Å; C2699-R2701 PolarHBondContact O-N 3.28Å; R2701-L2703 VanDerWaalsContact C-N 3.32Å; R2701-L2703 PolarHBondContact O-N 3.44Å; R2701-T2704 WeakPolarHBondContact CA-OG1 3.4Å; R2701-T2704 PolarHBondContact O-N 3.09Å; R2701-T2704 PolarHBondContact O-OG1 3.47Å; R2701-N2705 WeakPolarHBondContact O-CB 3.45Å; R2701-N2705 PolarHBondContact O-N 3.38Å; R2701-N2705 PolarHBondContact O-OD1 3.39Å |
| 2702 | H | 88.8 | Confident | 85.2 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 7% | 0.069 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.9 | -53 | 150.8 | 0 | 0 | 0 | 111.4 | S2698 C2699 F2706 | S2698-H2702 PolarHBondContact O-CD2 3.42Å; S2698-H2702 PolarHBondContact O-N 2.8Å; S2698-H2702 PolarHBondContact O-ND1 3.33Å; S2698-H2702 PolarHBondContact OG-CE1 2.82Å; S2698-H2702 VanDerWaalsContact OG-CE1 3.24Å; S2698-H2702 PolarHBondContact OG-NE2 3.45Å; S2698-H2702 VanDerWaalsContact OG-NE2 3.1Å; C2699-H2702 PolarHBondContact O-N 2.8Å; H2702-F2706 WeakPolarHBondContact O-CB 3.49Å; H2702-F2706 PolarHBondContact O-N 2.8Å |
| 2703 | L | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 176.9 | -68.9 | 171.6 | 0 | 0 | 0 | 112.7 | L2660 L2677 I2680 C2699 L2700 R2701 F2706 W2707 V2723 L2726 I2727 L2730 | L2660-L2703 HydrophobicContact CD1-CD2 4.05Å; L2677-L2703 HydrophobicContact CD2-CD2 3.5Å; I2680-L2703 HydrophobicContact CD1-CD2 4.13Å; C2699-L2703 PolarHBondContact O-N 3.44Å; C2699-L2703 VanDerWaalsContact O-N 3.11Å; L2700-L2703 PolarHBondContact O-N 2.84Å; R2701-L2703 VanDerWaalsContact C-N 3.32Å; R2701-L2703 PolarHBondContact O-N 3.44Å; L2703-F2706 PolarHBondContact O-N 3.37Å; L2703-W2707 WeakPolarHBondContact O-CB 3.42Å; L2703-W2707 PolarHBondContact O-N 2.89Å; L2703-V2723 HydrophobicContact CB-CG1 4.37Å; L2703-V2723 HydrophobicContact CD2-CG1 4.32Å; L2703-L2726 HydrophobicContact CD1-CB 3.92Å; L2703-I2727 HydrophobicContact CB-CD1 4.26Å; L2703-I2727 HydrophobicContact CB-CG1 3.86Å; L2703-I2727 HydrophobicContact CD1-CG1 4.47Å; L2703-L2730 HydrophobicContact CD1-CD1 3.7Å |
| 2704 | T | 88.1 | Confident | 84.5 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.3 | 7.1 | 0 | 0 | 0 | 0 | 111.7 | L2700 R2701 F2706 W2707 E2708 I2727 | L2700-T2704 PolarHBondContact O-N 3.27Å; L2700-T2704 PolarHBondContact O-OG1 3.47Å; R2701-T2704 WeakPolarHBondContact CA-OG1 3.4Å; R2701-T2704 PolarHBondContact O-N 3.09Å; R2701-T2704 PolarHBondContact O-OG1 3.47Å; T2704-F2706 VanDerWaalsContact C-N 3.34Å; T2704-F2706 PolarHBondContact O-N 2.94Å; T2704-W2707 WeakPolarHBondContact O-CB 3.33Å; T2704-W2707 PolarHBondContact O-N 2.64Å; T2704-W2707 VanDerWaalsContact O-N 3.16Å; T2704-E2708 WeakPolarHBondContact O-CG 3.39Å; T2704-E2708 PolarHBondContact O-N 3.46Å; T2704-I2727 HydrophobicContact CG2-CD1 4.34Å |
| 2705 | N | 87 | Confident | 84.3 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.9 | -74.4 | 7.4 | 0 | 0 | 0 | 111.8 | L2661 R2701 W2707 E2708 S2709 | L2661-N2705 HydrophobicContact CD2-CB 3.73Å; R2701-N2705 WeakPolarHBondContact O-CB 3.45Å; R2701-N2705 PolarHBondContact O-N 3.38Å; R2701-N2705 PolarHBondContact O-OD1 3.39Å; N2705-W2707 VanDerWaalsContact C-N 3.34Å; N2705-E2708 PolarHBondContact O-N 3.15Å; N2705-S2709 VanDerWaalsContact O-CB 3.27Å; N2705-S2709 WeakPolarHBondContact O-CB 3.45Å; N2705-S2709 PolarHBondContact O-N 3.2Å; N2705-S2709 PolarHBondContact O-OG 2.94Å |
| 2706 | F | 87.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.5 | 176.2 | -98.2 | 0 | 0 | 0 | 111.5 | L2660 L2665 I2673 H2702 L2703 T2704 Y2710 F2716 F2720 V2723 | L2660-F2706 HydrophobicContact CD2-CD2 4.24Å; L2660-F2706 HydrophobicContact CD2-CG 4.2Å; L2660-F2706 WeakPolarHBondContact O-CD2 3.4Å; L2665-F2706 HydrophobicContact CD1-CD2 4.45Å; L2665-F2706 HydrophobicContact CD1-CE2 4.17Å; I2673-F2706 HydrophobicContact CD1-CE2 3.9Å; I2673-F2706 HydrophobicContact CD1-CZ 4.19Å; I2673-F2706 HydrophobicContact CG2-CE1 4.43Å; I2673-F2706 HydrophobicContact CG2-CE2 4.29Å; I2673-F2706 HydrophobicContact CG2-CZ 3.87Å; H2702-F2706 WeakPolarHBondContact O-CB 3.49Å; H2702-F2706 PolarHBondContact O-N 2.8Å; L2703-F2706 PolarHBondContact O-N 3.37Å; T2704-F2706 VanDerWaalsContact C-N 3.34Å; T2704-F2706 PolarHBondContact O-N 2.94Å; F2706-Y2710 AromaticContact CD2-CD2 3.6Å; F2706-Y2710 HydrophobicContact CD2-CD2 3.6Å; F2706-Y2710 HydrophobicContact CD2-CE2 4.13Å; F2706-Y2710 HydrophobicContact CD2-CG 4.44Å; F2706-Y2710 AromaticContact CE2-CD2 3.82Å; F2706-Y2710 HydrophobicContact CE2-CD2 3.82Å; F2706-Y2710 HydrophobicContact CE2-CE2 4.46Å; F2706-Y2710 HydrophobicContact CE2-CG 4.25Å; F2706-Y2710 HydrophobicContact CG-CD2 4.36Å; F2706-Y2710 WeakPolarHBondContact O-CD2 3.28Å; F2706-Y2710 PolarHBondContact O-N 3.49Å; F2706-Y2710 VanDerWaalsContact O-N 3.15Å; F2706-F2716 HydrophobicContact CZ-CD1 4.49Å; F2706-F2720 HydrophobicContact CD1-CE1 4.36Å; F2706-F2720 AromaticContact CE1-CE1 3.96Å; F2706-F2720 HydrophobicContact CE1-CE1 3.96Å; F2706-F2720 HydrophobicContact CE1-CZ 4.47Å; F2706-V2723 HydrophobicContact CD1-CG2 4.08Å; F2706-V2723 HydrophobicContact CE1-CG2 4Å |
| 2707 | W | 86.2 | Confident | 84 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.5 | -55.6 | 174.8 | -177.3 | -76.8 | 0 | 0 | 0 | 111.3 | L2703 T2704 N2705 S2709 Y2710 Q2711 F2720 V2723 R2724 I2727 | L2703-W2707 WeakPolarHBondContact O-CB 3.42Å; L2703-W2707 PolarHBondContact O-N 2.89Å; T2704-W2707 WeakPolarHBondContact O-CB 3.33Å; T2704-W2707 PolarHBondContact O-N 2.64Å; T2704-W2707 VanDerWaalsContact O-N 3.16Å; N2705-W2707 VanDerWaalsContact C-N 3.34Å; W2707-S2709 VanDerWaalsContact C-N 3.33Å; W2707-S2709 PolarHBondContact O-N 3.27Å; W2707-Y2710 PolarHBondContact O-N 3.17Å; W2707-Q2711 VanDerWaalsContact NE1-CD 3.35Å; W2707-Q2711 WeakPolarHBondContact O-CB 3.34Å; W2707-Q2711 PolarHBondContact O-N 3.47Å; W2707-F2720 HydrophobicContact CD2-CD1 4.12Å; W2707-F2720 HydrophobicContact CE3-CB 4.35Å; W2707-F2720 AromaticContact CE3-CD1 3.59Å; W2707-F2720 HydrophobicContact CE3-CD1 3.59Å; W2707-F2720 HydrophobicContact CE3-CE1 4.45Å; W2707-F2720 HydrophobicContact CE3-CG 4.37Å; W2707-F2720 HydrophobicContact CH2-CB 3.93Å; W2707-F2720 HydrophobicContact CH2-CD1 4.43Å; W2707-F2720 HydrophobicContact CH2-CG 4.46Å; W2707-F2720 HydrophobicContact CZ3-CB 3.64Å; W2707-F2720 AromaticContact CZ3-CD1 3.77Å; W2707-F2720 HydrophobicContact CZ3-CD1 3.77Å; W2707-F2720 HydrophobicContact CZ3-CG 4.1Å; W2707-F2720 VanDerWaalsContact CZ3-O 3.27Å; W2707-F2720 WeakPolarHBondContact CZ3-O 3.25Å; W2707-V2723 HydrophobicContact CB-CG1 4.43Å; W2707-V2723 HydrophobicContact CE3-CB 3.94Å; W2707-V2723 HydrophobicContact CE3-CG1 3.76Å; W2707-V2723 HydrophobicContact CZ3-CB 4.25Å; W2707-R2724 HydrophobicContact CH2-CB 3.89Å; W2707-R2724 HydrophobicContact CH2-CG 4.38Å; W2707-R2724 HydrophobicContact CZ3-CB 3.62Å; W2707-R2724 HydrophobicContact CZ3-CG 4.47Å; W2707-I2727 HydrophobicContact CB-CD1 4.42Å |
| 2708 | E | 86.1 | Confident | 84.1 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 65% | 0.65 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | -177.1 | -72 | 172.4 | -171.7 | 0 | 0 | 112.6 | T2704 N2705 | T2704-E2708 WeakPolarHBondContact O-CG 3.39Å; T2704-E2708 PolarHBondContact O-N 3.46Å; N2705-E2708 PolarHBondContact O-N 3.15Å |
| 2709 | S | 83.6 | Confident | 84.2 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -77.8 | -29 | -174.9 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | N2705 W2707 | N2705-S2709 VanDerWaalsContact O-CB 3.27Å; N2705-S2709 WeakPolarHBondContact O-CB 3.45Å; N2705-S2709 PolarHBondContact O-N 3.2Å; N2705-S2709 PolarHBondContact O-OG 2.94Å; W2707-S2709 VanDerWaalsContact C-N 3.33Å; W2707-S2709 PolarHBondContact O-N 3.27Å |
| 2710 | Y | 83.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -122.6 | -2.8 | -168.8 | -61.6 | -79.2 | 0 | 0 | 0 | 115.2 | D2662 L2665 F2706 W2707 V2712 R2713 F2716 F2720 | D2662-Y2710 PolarHBondContact O-OH 3.31Å; L2665-Y2710 HydrophobicContact CB-CE1 4.18Å; L2665-Y2710 HydrophobicContact CD1-CD2 4.4Å; L2665-Y2710 HydrophobicContact CD1-CE1 4.19Å; L2665-Y2710 HydrophobicContact CD1-CE2 3.73Å; F2706-Y2710 AromaticContact CD2-CD2 3.6Å; F2706-Y2710 HydrophobicContact CD2-CD2 3.6Å; F2706-Y2710 HydrophobicContact CD2-CE2 4.13Å; F2706-Y2710 HydrophobicContact CD2-CG 4.44Å; F2706-Y2710 AromaticContact CE2-CD2 3.82Å; F2706-Y2710 HydrophobicContact CE2-CD2 3.82Å; F2706-Y2710 HydrophobicContact CE2-CE2 4.46Å; F2706-Y2710 HydrophobicContact CE2-CG 4.25Å; F2706-Y2710 HydrophobicContact CG-CD2 4.36Å; F2706-Y2710 WeakPolarHBondContact O-CD2 3.28Å; F2706-Y2710 PolarHBondContact O-N 3.49Å; F2706-Y2710 VanDerWaalsContact O-N 3.15Å; W2707-Y2710 PolarHBondContact O-N 3.17Å; Y2710-V2712 PolarHBondContact O-N 3.15Å; Y2710-R2713 PolarHBondContact O-N 3.03Å; Y2710-F2716 HydrophobicContact CD1-CD2 4.44Å; Y2710-F2716 HydrophobicContact CD1-CE2 4.32Å; Y2710-F2720 VanDerWaalsContact O-CZ 3.24Å; Y2710-F2720 WeakPolarHBondContact O-CZ 3.3Å |
| 2711 | Q | 80.7 | Confident | 84.4 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.7 | -177.6 | -174.7 | 178.6 | 0.7 | 0 | 0 | 114.1 | W2707 F2720 | W2707-Q2711 VanDerWaalsContact NE1-CD 3.35Å; W2707-Q2711 WeakPolarHBondContact O-CB 3.34Å; W2707-Q2711 PolarHBondContact O-N 3.47Å; Q2711-F2720 HydrophobicContact CB-CE1 4.45Å; Q2711-F2720 HydrophobicContact CB-CZ 4.37Å |
| 2712 | V | 78.2 | Confident | 84.5 | Confident | 134 Ų | 134 | 66.7 Ų | 66.7 | 81% | 0.812 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -11.8 | -176.7 | -161 | 0 | 0 | 0 | 0 | 112.8 | Y2710 | Y2710-V2712 PolarHBondContact O-N 3.15Š|
| 2713 | R | 79.3 | Confident | 84.5 | Confident | 122 Ų | 122 | 66 Ų | 66 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | trans | -86.2 | 122.3 | -178.6 | -70.4 | -161.5 | -177.3 | -171.3 | 0.9 | 111.5 | L2665 Y2710 E2715 F2716 | L2665-R2713 PolarHBondContact O-NH1 2.82Å; Y2710-R2713 PolarHBondContact O-N 3.03Å; R2713-E2715 PolarHBondContact O-N 3.31Å; R2713-E2715 VanDerWaalsContact O-N 3.15Å; R2713-F2716 HydrophobicContact CB-CD2 4.01Å; R2713-F2716 PolarHBondContact O-N 3.15Å | ||
| 2714 | N | 78.7 | Confident | 84.5 | Confident | 137 Ų | 137 | 73.6 Ų | 73.6 | 73% | 0.733 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.7 | -32.5 | -177.4 | -78.8 | -11.6 | 0 | 0 | 0 | 113.8 | F2716 L2717 | N2714-F2716 PolarHBondContact O-N 3.16Å; N2714-L2717 HydrophobicContact CB-CD1 4.32Å; N2714-L2717 PolarHBondContact O-N 2.82Å; N2714-L2717 WeakPolarHBondContact OD1-CD1 3.21Å |
| 2715 | E | 79.8 | Confident | 84.6 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -61.6 | -29 | -177.4 | -64.3 | 159.8 | -178.2 | 0 | 0 | 113.2 | A2667 R2713 | A2667-E2715 HydrophobicContact CB-CG 4.43Å; R2713-E2715 PolarHBondContact O-N 3.31Å; R2713-E2715 VanDerWaalsContact O-N 3.15Å |
| 2716 | F | 81.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -104.3 | 3.9 | -175.5 | -59.3 | -72.8 | 0 | 0 | 0 | 114 | L2665 L2670 I2673 F2706 Y2710 R2713 N2714 S2718 V2719 F2720 | L2665-F2716 HydrophobicContact CB-CZ 4.23Å; L2670-F2716 HydrophobicContact CB-CE1 4.42Å; L2670-F2716 HydrophobicContact CD1-CD1 3.61Å; L2670-F2716 HydrophobicContact CD1-CE1 4.11Å; I2673-F2716 HydrophobicContact CD1-CD1 4Å; I2673-F2716 HydrophobicContact CD1-CE1 3.47Å; I2673-F2716 VanDerWaalsContact CD1-CE1 3.47Å; I2673-F2716 HydrophobicContact CD1-CZ 4.26Å; F2706-F2716 HydrophobicContact CZ-CD1 4.49Å; Y2710-F2716 HydrophobicContact CD1-CD2 4.44Å; Y2710-F2716 HydrophobicContact CD1-CE2 4.32Å; R2713-F2716 HydrophobicContact CB-CD2 4.01Å; R2713-F2716 PolarHBondContact O-N 3.15Å; N2714-F2716 PolarHBondContact O-N 3.16Å; F2716-S2718 PolarHBondContact O-N 2.96Å; F2716-S2718 VanDerWaalsContact O-N 3.12Å; F2716-V2719 PolarHBondContact O-N 3.48Å; F2716-V2719 VanDerWaalsContact O-N 3.07Å; F2716-F2720 HydrophobicContact CB-CE2 3.88Å; F2716-F2720 HydrophobicContact CB-CZ 4Å; F2716-F2720 VanDerWaalsContact O-CD2 3.31Å; F2716-F2720 WeakPolarHBondContact O-CD2 3.45Å; F2716-F2720 WeakPolarHBondContact O-CE2 3.44Å |
| 2717 | L | 81.7 | Confident | 84.8 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34.9 | -177.4 | -93.5 | 159.6 | 0 | 0 | 0 | 113.5 | N2714 V2719 | N2714-L2717 HydrophobicContact CB-CD1 4.32Å; N2714-L2717 PolarHBondContact O-N 2.82Å; N2714-L2717 WeakPolarHBondContact OD1-CD1 3.21Å; L2717-V2719 PolarHBondContact O-N 3.18Å |
| 2718 | S | 84.6 | Confident | 84.9 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 60% | 0.601 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.9 | -178.4 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | F2716 | F2716-S2718 PolarHBondContact O-N 2.96Å; F2716-S2718 VanDerWaalsContact O-N 3.12Å |
| 2719 | V | 87.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -20.4 | -172.7 | -128.7 | 0 | 0 | 0 | 0 | 113.3 | L2670 L2677 F2716 L2717 R2722 V2723 | L2670-V2719 HydrophobicContact CD1-CG2 3.4Å; L2670-V2719 VanDerWaalsContact CD1-CG2 3.4Å; L2677-V2719 HydrophobicContact CD1-CB 4.05Å; L2677-V2719 HydrophobicContact CD1-CG1 3.34Å; F2716-V2719 PolarHBondContact O-N 3.48Å; F2716-V2719 VanDerWaalsContact O-N 3.07Å; L2717-V2719 PolarHBondContact O-N 3.18Å; V2719-R2722 VanDerWaalsContact O-CB 3.31Å; V2719-R2722 WeakPolarHBondContact O-CB 3.49Å; V2719-R2722 PolarHBondContact O-N 3.29Å; V2719-R2722 VanDerWaalsContact O-N 3.08Å; V2719-V2723 PolarHBondContact O-N 3.37Å; V2719-V2723 VanDerWaalsContact O-N 3.13Å |
| 2720 | F | 87.1 | Confident | 85 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.5 | -42.7 | -179.9 | -71.6 | -58.1 | 0 | 0 | 0 | 114.2 | F2706 W2707 Y2710 Q2711 F2716 R2722 V2723 R2724 | F2706-F2720 HydrophobicContact CD1-CE1 4.36Å; F2706-F2720 AromaticContact CE1-CE1 3.96Å; F2706-F2720 HydrophobicContact CE1-CE1 3.96Å; F2706-F2720 HydrophobicContact CE1-CZ 4.47Å; W2707-F2720 HydrophobicContact CD2-CD1 4.12Å; W2707-F2720 HydrophobicContact CE3-CB 4.35Å; W2707-F2720 AromaticContact CE3-CD1 3.59Å; W2707-F2720 HydrophobicContact CE3-CD1 3.59Å; W2707-F2720 HydrophobicContact CE3-CE1 4.45Å; W2707-F2720 HydrophobicContact CE3-CG 4.37Å; W2707-F2720 HydrophobicContact CH2-CB 3.93Å; W2707-F2720 HydrophobicContact CH2-CD1 4.43Å; W2707-F2720 HydrophobicContact CH2-CG 4.46Å; W2707-F2720 HydrophobicContact CZ3-CB 3.64Å; W2707-F2720 AromaticContact CZ3-CD1 3.77Å; W2707-F2720 HydrophobicContact CZ3-CD1 3.77Å; W2707-F2720 HydrophobicContact CZ3-CG 4.1Å; W2707-F2720 VanDerWaalsContact CZ3-O 3.27Å; W2707-F2720 WeakPolarHBondContact CZ3-O 3.25Å; Y2710-F2720 VanDerWaalsContact O-CZ 3.24Å; Y2710-F2720 WeakPolarHBondContact O-CZ 3.3Å; Q2711-F2720 HydrophobicContact CB-CE1 4.45Å; Q2711-F2720 HydrophobicContact CB-CZ 4.37Å; F2716-F2720 HydrophobicContact CB-CE2 3.88Å; F2716-F2720 HydrophobicContact CB-CZ 4Å; F2716-F2720 VanDerWaalsContact O-CD2 3.31Å; F2716-F2720 WeakPolarHBondContact O-CD2 3.45Å; F2716-F2720 WeakPolarHBondContact O-CE2 3.44Å; F2720-R2722 PolarHBondContact O-N 3Å; F2720-V2723 PolarHBondContact O-N 3.01Å; F2720-R2724 PolarHBondContact O-N 3.07Å |
| 2721 | P | 87.2 | Confident | 85.1 | Confident | 94 Ų | 94 | 71.3 Ų | 71.3 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -52.7 | -37.8 | 176.7 | -27.2 | 35.3 | 0 | 0 | 0 | 113.2 | S2725 | P2721-S2725 PolarHBondContact O-N 2.94Å; P2721-S2725 VanDerWaalsContact O-N 3.15Å |
| 2722 | R | 89.4 | Confident | 84.8 | Confident | 112 Ų | 112 | 70.6 Ų | 70.6 | 42% | 0.423 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 173.9 | -100 | 172.7 | 157.5 | 159.3 | -1.2 | 112.4 | E2681 V2719 F2720 R2724 S2725 L2726 | E2681-R2722 IonicContact OE2-NE 3.44Å; V2719-R2722 VanDerWaalsContact O-CB 3.31Å; V2719-R2722 WeakPolarHBondContact O-CB 3.49Å; V2719-R2722 PolarHBondContact O-N 3.29Å; V2719-R2722 VanDerWaalsContact O-N 3.08Å; F2720-R2722 PolarHBondContact O-N 3Å; R2722-R2724 VanDerWaalsContact C-N 3.32Å; R2722-R2724 PolarHBondContact O-N 2.89Å; R2722-S2725 WeakPolarHBondContact O-CB 3.33Å; R2722-S2725 PolarHBondContact O-N 3.16Å; R2722-L2726 WeakPolarHBondContact O-CG 3.32Å; R2722-L2726 PolarHBondContact O-N 2.76Å |
| 2723 | V | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 177.6 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L2677 L2703 F2706 W2707 V2719 F2720 S2725 L2726 I2727 | L2677-V2723 HydrophobicContact CD1-CG2 3.62Å; L2677-V2723 HydrophobicContact CD2-CG2 3.84Å; L2677-V2723 HydrophobicContact CG-CG2 4.41Å; L2703-V2723 HydrophobicContact CB-CG1 4.37Å; L2703-V2723 HydrophobicContact CD2-CG1 4.32Å; F2706-V2723 HydrophobicContact CD1-CG2 4.08Å; F2706-V2723 HydrophobicContact CE1-CG2 4Å; W2707-V2723 HydrophobicContact CB-CG1 4.43Å; W2707-V2723 HydrophobicContact CE3-CB 3.94Å; W2707-V2723 HydrophobicContact CE3-CG1 3.76Å; W2707-V2723 HydrophobicContact CZ3-CB 4.25Å; V2719-V2723 PolarHBondContact O-N 3.37Å; V2719-V2723 VanDerWaalsContact O-N 3.13Å; F2720-V2723 PolarHBondContact O-N 3.01Å; V2723-S2725 PolarHBondContact O-N 3.41Å; V2723-L2726 PolarHBondContact O-N 2.87Å; V2723-L2726 VanDerWaalsContact O-N 3.16Å; V2723-I2727 HydrophobicContact CG1-CD1 3.9Å; V2723-I2727 HydrophobicContact CG1-CG1 4.4Å; V2723-I2727 WeakPolarHBondContact O-CG1 3.45Å; V2723-I2727 PolarHBondContact O-N 2.89Å |
| 2724 | R | 88.1 | Confident | 85.4 | Confident | 160 Ų | 160 | 64.5 Ų | 64.5 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 177.4 | -169.6 | 173.9 | 178.9 | 170.3 | 0.6 | 111.6 | W2707 F2720 R2722 L2726 I2727 I2728 | W2707-R2724 HydrophobicContact CH2-CB 3.89Å; W2707-R2724 HydrophobicContact CH2-CG 4.38Å; W2707-R2724 HydrophobicContact CZ3-CB 3.62Å; W2707-R2724 HydrophobicContact CZ3-CG 4.47Å; F2720-R2724 PolarHBondContact O-N 3.07Å; R2722-R2724 VanDerWaalsContact C-N 3.32Å; R2722-R2724 PolarHBondContact O-N 2.89Å; R2724-L2726 VanDerWaalsContact C-N 3.3Å; R2724-L2726 PolarHBondContact O-N 3.47Å; R2724-I2727 PolarHBondContact O-N 3.38Å; R2724-I2728 HydrophobicContact CG-CD1 4.08Å; R2724-I2728 VanDerWaalsContact O-CG1 3.31Å; R2724-I2728 WeakPolarHBondContact O-CG1 3.23Å; R2724-I2728 PolarHBondContact O-N 3.46Å |
| 2725 | S | 89.9 | Confident | 85.8 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | P2721 R2722 V2723 I2728 K2729 | P2721-S2725 PolarHBondContact O-N 2.94Å; P2721-S2725 VanDerWaalsContact O-N 3.15Å; R2722-S2725 WeakPolarHBondContact O-CB 3.33Å; R2722-S2725 PolarHBondContact O-N 3.16Å; V2723-S2725 PolarHBondContact O-N 3.41Å; S2725-I2728 PolarHBondContact O-N 3.48Å; S2725-K2729 WeakPolarHBondContact O-CB 3.26Å; S2725-K2729 VanDerWaalsContact O-CG 3.28Å; S2725-K2729 WeakPolarHBondContact O-CG 3.42Å; S2725-K2729 PolarHBondContact O-N 2.81Å |
| 2726 | L | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.3 | -70.5 | 174 | 0 | 0 | 0 | 112.7 | L2677 I2680 E2681 I2684 L2703 R2722 V2723 R2724 K2729 L2730 | L2677-L2726 HydrophobicContact CB-CD1 4.31Å; L2677-L2726 HydrophobicContact CD2-CD1 3.98Å; I2680-L2726 HydrophobicContact CB-CD1 4.38Å; I2680-L2726 HydrophobicContact CG2-CD1 4.24Å; I2680-L2726 HydrophobicContact CG2-CD2 4.35Å; E2681-L2726 HydrophobicContact CB-CD2 3.79Å; E2681-L2726 HydrophobicContact CG-CD2 4.09Å; I2684-L2726 HydrophobicContact CD1-CD2 3.57Å; I2684-L2726 HydrophobicContact CG1-CD2 4.37Å; L2703-L2726 HydrophobicContact CD1-CB 3.92Å; R2722-L2726 WeakPolarHBondContact O-CG 3.32Å; R2722-L2726 PolarHBondContact O-N 2.76Å; V2723-L2726 PolarHBondContact O-N 2.87Å; V2723-L2726 VanDerWaalsContact O-N 3.16Å; R2724-L2726 VanDerWaalsContact C-N 3.3Å; R2724-L2726 PolarHBondContact O-N 3.47Å; L2726-K2729 PolarHBondContact O-N 3.22Å; L2726-L2730 WeakPolarHBondContact O-CB 3.3Å; L2726-L2730 WeakPolarHBondContact O-CG 3.37Å; L2726-L2730 PolarHBondContact O-N 3.21Å |
| 2727 | I | 89.1 | Confident | 86.4 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 175.4 | -70.4 | 170.8 | 0 | 0 | 0 | 109.8 | L2700 L2703 T2704 W2707 V2723 R2724 K2729 L2730 Q2731 | L2700-I2727 HydrophobicContact CD1-CB 4.43Å; L2700-I2727 HydrophobicContact CD1-CG2 4.05Å; L2703-I2727 HydrophobicContact CB-CD1 4.26Å; L2703-I2727 HydrophobicContact CB-CG1 3.86Å; L2703-I2727 HydrophobicContact CD1-CG1 4.47Å; T2704-I2727 HydrophobicContact CG2-CD1 4.34Å; W2707-I2727 HydrophobicContact CB-CD1 4.42Å; V2723-I2727 HydrophobicContact CG1-CD1 3.9Å; V2723-I2727 HydrophobicContact CG1-CG1 4.4Å; V2723-I2727 WeakPolarHBondContact O-CG1 3.45Å; V2723-I2727 PolarHBondContact O-N 2.89Å; R2724-I2727 PolarHBondContact O-N 3.38Å; I2727-K2729 PolarHBondContact O-N 3.22Å; I2727-L2730 PolarHBondContact O-N 3.33Å; I2727-Q2731 HydrophobicContact CG2-CG 4.47Å; I2727-Q2731 WeakPolarHBondContact O-CB 3.41Å; I2727-Q2731 WeakPolarHBondContact O-CG 3.48Å; I2727-Q2731 PolarHBondContact O-N 3.22Å |
| 2728 | I | 87.7 | Confident | 86.8 | Confident | 99 Ų | 99 | 59.4 Ų | 59.4 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 178.1 | -65.8 | 165.5 | 0 | 0 | 0 | 110.7 | R2724 S2725 L2730 Q2731 G2732 | R2724-I2728 HydrophobicContact CG-CD1 4.08Å; R2724-I2728 VanDerWaalsContact O-CG1 3.31Å; R2724-I2728 WeakPolarHBondContact O-CG1 3.23Å; R2724-I2728 PolarHBondContact O-N 3.46Å; S2725-I2728 PolarHBondContact O-N 3.48Å; I2728-L2730 PolarHBondContact O-N 3.11Å; I2728-Q2731 PolarHBondContact O-N 3.27Å; I2728-G2732 PolarHBondContact O-N 2.89Å; I2728-G2732 VanDerWaalsContact O-N 3.13Å |
| 2729 | K | 87 | Confident | 86.9 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -27 | 178.8 | -76.7 | 173.2 | -177.6 | 170.8 | 0 | 113.2 | E2681 I2684 R2691 S2725 L2726 I2727 | E2681-K2729 IonicContact OE1-NZ 3.14Å; E2681-K2729 PolarHBondContact OE1-NZ 3.37Å; E2681-K2729 VanDerWaalsContact OE1-NZ 3.14Å; I2684-K2729 HydrophobicContact CD1-CB 3.84Å; I2684-K2729 HydrophobicContact CD1-CD 4.17Å; R2691-K2729 WeakPolarHBondContact CD-O 3.45Å; R2691-K2729 WeakPolarHBondContact CG-O 3.38Å; R2691-K2729 PolarHBondContact NE-O 3.33Å; S2725-K2729 WeakPolarHBondContact O-CB 3.26Å; S2725-K2729 VanDerWaalsContact O-CG 3.28Å; S2725-K2729 WeakPolarHBondContact O-CG 3.42Å; S2725-K2729 PolarHBondContact O-N 2.81Å; L2726-K2729 PolarHBondContact O-N 3.22Å; I2727-K2729 PolarHBondContact O-N 3.22Å |
| 2730 | L | 85.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -88 | -25.1 | 176.7 | -80.4 | 166.7 | 0 | 0 | 0 | 112.5 | I2684 R2691 M2694 K2695 L2700 L2703 L2726 I2727 I2728 | I2684-L2730 HydrophobicContact CD1-CG 4.36Å; I2684-L2730 HydrophobicContact CG2-CD2 3.87Å; I2684-L2730 HydrophobicContact CG2-CG 4.5Å; R2691-L2730 HydrophobicContact CG-CD2 4.03Å; M2694-L2730 HydrophobicContact CB-CD2 3.89Å; K2695-L2730 VanDerWaalsContact CD-O 3.29Å; K2695-L2730 WeakPolarHBondContact CD-O 3.5Å; L2700-L2730 HydrophobicContact CD1-CB 3.88Å; L2703-L2730 HydrophobicContact CD1-CD1 3.7Å; L2726-L2730 WeakPolarHBondContact O-CB 3.3Å; L2726-L2730 WeakPolarHBondContact O-CG 3.37Å; L2726-L2730 PolarHBondContact O-N 3.21Å; I2727-L2730 PolarHBondContact O-N 3.33Å; I2728-L2730 PolarHBondContact O-N 3.11Å |
| 2731 | Q | 85.3 | Confident | 86.9 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.9 | -43.5 | 175.2 | -77.7 | 174.5 | -16.5 | 0 | 0 | 111.9 | K2695 L2700 I2727 I2728 | K2695-Q2731 PolarHBondContact NZ-O 3.49Å; L2700-Q2731 HydrophobicContact CD1-CG 3.97Å; L2700-Q2731 HydrophobicContact CD2-CG 4.1Å; I2727-Q2731 HydrophobicContact CG2-CG 4.47Å; I2727-Q2731 WeakPolarHBondContact O-CB 3.41Å; I2727-Q2731 WeakPolarHBondContact O-CG 3.48Å; I2727-Q2731 PolarHBondContact O-N 3.22Å; I2728-Q2731 PolarHBondContact O-N 3.27Å |
| 2732 | G | 73.9 | Confident | 86.8 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | trans | -86.2 | 0 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | R2691 I2728 | R2691-G2732 VanDerWaalsContact CD-OXT 3.23Å; R2691-G2732 WeakPolarHBondContact CD-OXT 3.49Å; R2691-G2732 PolarHBondContact NH1-OXT 3.28Å; I2728-G2732 PolarHBondContact O-N 2.89Å; I2728-G2732 VanDerWaalsContact O-N 3.13Å |
Retrieved 2,732 of 2,732 residues in 744.9 ms
(Link to these results)