| 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 | 42.8 | Very low | 49.2 | Very low | 186 Ų | 186 | 86.8 Ų | 86.8 | 92% | 0.916 | 44% | 0.44 | S | S | * | . | 0 | -57.7 | 0 | -165.1 | 178.9 | 161.8 | 0 | 0 | 112.6 | E4 I5 | M1-E4 PolarHBondContact O-N 2.89Å; M1-I5 HydrophobicContact CE-CD1 4.19Å; M1-I5 HydrophobicContact CG-CD1 4.07Å; M1-I5 WeakPolarHBondContact O-CD1 3.45Å; M1-I5 VanDerWaalsContact O-CG1 3.27Å; M1-I5 WeakPolarHBondContact O-CG1 3.12Å; M1-I5 PolarHBondContact O-N 3.46Å | |||
| 2 | Y | 44.5 | Very low | 49 | Very low | 72 Ų | 72 | 89.5 Ų | 89.5 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 179.9 | -170.7 | -108.1 | 0 | 0 | 0 | 114 | E4 I5 L6 P29 M45 | Y2-E4 PolarHBondContact O-N 3.14Å; Y2-I5 PolarHBondContact O-N 3.44Å; Y2-L6 HydrophobicContact CD1-CD1 3.83Å; Y2-L6 HydrophobicContact CD1-CG 4.37Å; Y2-L6 HydrophobicContact CE1-CD1 3.4Å; Y2-L6 VanDerWaalsContact CE1-CD1 3.4Å; Y2-L6 HydrophobicContact CE1-CG 4.07Å; Y2-L6 PolarHBondContact O-N 2.99Å; Y2-P29 WeakPolarHBondContact OH-CB 3.46Å; Y2-M45 HydrophobicContact CD1-CE 3.88Å; Y2-M45 HydrophobicContact CD2-CE 3.35Å; Y2-M45 HydrophobicContact CD2-SD 4.08Å; Y2-M45 HydrophobicContact CE1-CE 3.89Å; Y2-M45 HydrophobicContact CE2-CE 3.39Å; Y2-M45 HydrophobicContact CG-CE 3.6Å; Y2-M45 HydrophobicContact CG-CG 4.28Å; Y2-M45 HydrophobicContact CG-SD 4.14Å |
| 3 | N | 45.2 | Very low | 48.9 | Very low | 66 Ų | 66 | 91.5 Ų | 91.5 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 173 | -79.1 | 0.7 | 0 | 0 | 0 | 112.1 | I5 L6 I7 V48 | N3-I5 VanDerWaalsContact C-N 3.29Å; N3-I5 PolarHBondContact O-N 3.01Å; N3-L6 PolarHBondContact O-N 3.34Å; N3-I7 HydrophobicContact CB-CD1 4.37Å; N3-I7 WeakPolarHBondContact O-CB 3.45Å; N3-I7 WeakPolarHBondContact O-CD1 3.48Å; N3-I7 WeakPolarHBondContact O-CG1 3.46Å; N3-I7 PolarHBondContact O-N 3.44Å; N3-V48 VanDerWaalsContact ND2-CG1 3.31Å; N3-V48 WeakPolarHBondContact ND2-CG1 3.49Å; N3-V48 WeakPolarHBondContact OD1-CG1 3.41Å |
| 4 | E | 46.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 89.4 Ų | 89.4 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 175.6 | -67.5 | -60.8 | 150.6 | 0 | 0 | 111.8 | M1 Y2 I7 L8 | M1-E4 PolarHBondContact O-N 2.89Å; Y2-E4 PolarHBondContact O-N 3.14Å; E4-I7 PolarHBondContact O-N 3.24Å; E4-L8 VanDerWaalsContact O-CB 3.23Å; E4-L8 WeakPolarHBondContact O-CB 3.31Å; E4-L8 WeakPolarHBondContact O-CD1 2.94Å; E4-L8 PolarHBondContact O-N 2.82Å |
| 5 | I | 51.9 | Low | 48.8 | Very low | 85 Ų | 85 | 91.2 Ų | 91.2 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 177.4 | -67.4 | 163.3 | 0 | 0 | 0 | 111.7 | M1 Y2 N3 G9 | M1-I5 HydrophobicContact CE-CD1 4.19Å; M1-I5 HydrophobicContact CG-CD1 4.07Å; M1-I5 WeakPolarHBondContact O-CD1 3.45Å; M1-I5 VanDerWaalsContact O-CG1 3.27Å; M1-I5 WeakPolarHBondContact O-CG1 3.12Å; M1-I5 PolarHBondContact O-N 3.46Å; Y2-I5 PolarHBondContact O-N 3.44Å; N3-I5 VanDerWaalsContact C-N 3.29Å; N3-I5 PolarHBondContact O-N 3.01Å; I5-G9 WeakPolarHBondContact O-CA 3.36Å; I5-G9 PolarHBondContact O-N 2.98Å |
| 6 | L | 53.6 | Low | 48.6 | Very low | 37 Ų | 37 | 91.1 Ų | 91.1 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 175.5 | -73.6 | 177.6 | 0 | 0 | 0 | 112 | Y2 N3 G9 A10 L18 | Y2-L6 HydrophobicContact CD1-CD1 3.83Å; Y2-L6 HydrophobicContact CD1-CG 4.37Å; Y2-L6 HydrophobicContact CE1-CD1 3.4Å; Y2-L6 VanDerWaalsContact CE1-CD1 3.4Å; Y2-L6 HydrophobicContact CE1-CG 4.07Å; Y2-L6 PolarHBondContact O-N 2.99Å; N3-L6 PolarHBondContact O-N 3.34Å; L6-G9 PolarHBondContact O-N 3.36Å; L6-A10 VanDerWaalsContact O-CB 3.25Å; L6-A10 WeakPolarHBondContact O-CB 3.35Å; L6-A10 PolarHBondContact O-N 3.36Å; L6-L18 HydrophobicContact CD2-CB 3.97Å |
| 7 | I | 53 | Low | 49 | Very low | 80 Ų | 80 | 91.5 Ų | 91.5 | 41% | 0.41 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 178 | -67.9 | 164.1 | 0 | 0 | 0 | 110.5 | N3 E4 K11 | N3-I7 HydrophobicContact CB-CD1 4.37Å; N3-I7 WeakPolarHBondContact O-CB 3.45Å; N3-I7 WeakPolarHBondContact O-CD1 3.48Å; N3-I7 WeakPolarHBondContact O-CG1 3.46Å; N3-I7 PolarHBondContact O-N 3.44Å; E4-I7 PolarHBondContact O-N 3.24Å; I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 WeakPolarHBondContact O-CB 3.4Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 2.87Å |
| 8 | L | 50.1 | Low | 49 | Very low | 91 Ų | 91 | 89.9 Ų | 89.9 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.3 | -94.7 | 135.8 | 0 | 0 | 0 | 111.5 | E4 K11 L12 | E4-L8 VanDerWaalsContact O-CB 3.23Å; E4-L8 WeakPolarHBondContact O-CB 3.31Å; E4-L8 WeakPolarHBondContact O-CD1 2.94Å; E4-L8 PolarHBondContact O-N 2.82Å; L8-K11 PolarHBondContact O-N 3.35Å; L8-L12 HydrophobicContact CB-CD1 4.46Å; L8-L12 HydrophobicContact CD2-CD1 4.14Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.08Å; L8-L12 WeakPolarHBondContact O-CD1 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.34Å |
| 9 | G | 50.2 | Low | 49.3 | Very low | 14 Ų | 14 | 92.4 Ų | 92.4 | 14% | 0.144 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | I5 L6 K11 L12 H13 | I5-G9 WeakPolarHBondContact O-CA 3.36Å; I5-G9 PolarHBondContact O-N 2.98Å; L6-G9 PolarHBondContact O-N 3.36Å; G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 2.99Å; G9-L12 PolarHBondContact O-N 2.86Å; G9-H13 PolarHBondContact O-N 3.25Å |
| 10 | A | 53.1 | Low | 49.5 | Very low | 48 Ų | 48 | 92.6 Ų | 92.6 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -31.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L6 | L6-A10 VanDerWaalsContact O-CB 3.25Å; L6-A10 WeakPolarHBondContact O-CB 3.35Å; L6-A10 PolarHBondContact O-N 3.36Å |
| 11 | K | 49.5 | Very low | 49.5 | Very low | 164 Ų | 164 | 92.3 Ų | 92.3 | 71% | 0.713 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -72.8 | -39.5 | 173.3 | -81.7 | 179.5 | 176.7 | 179 | 0 | 113 | I7 L8 G9 | I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 WeakPolarHBondContact O-CB 3.4Å; I7-K11 WeakPolarHBondContact O-CG 3.47Å; I7-K11 PolarHBondContact O-N 2.87Å; L8-K11 PolarHBondContact O-N 3.35Å; G9-K11 VanDerWaalsContact C-N 3.33Å; G9-K11 PolarHBondContact O-N 2.99Å |
| 12 | L | 47.8 | Very low | 49.7 | Very low | 119 Ų | 119 | 87.4 Ų | 87.4 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80.3 | -38.1 | -176.2 | -76.8 | 159.5 | 0 | 0 | 0 | 112.5 | L8 G9 | L8-L12 HydrophobicContact CB-CD1 4.46Å; L8-L12 HydrophobicContact CD2-CD1 4.14Å; L8-L12 VanDerWaalsContact O-CB 3.31Å; L8-L12 WeakPolarHBondContact O-CB 3.08Å; L8-L12 WeakPolarHBondContact O-CD1 3.23Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.34Å; G9-L12 PolarHBondContact O-N 2.86Å |
| 13 | H | 46.8 | Very low | 50 | Low | 115 Ų | 115 | 88 Ų | 88 | 53% | 0.532 | 46% | 0.46 | S | S | . | . | trans | -136.7 | 87.3 | 177.7 | -68.4 | -67.5 | 0 | 0 | 0 | 111.4 | G9 T15 L16 | G9-H13 PolarHBondContact O-N 3.25Å; H13-T15 PolarHBondContact O-N 3.44Å; H13-T15 VanDerWaalsContact O-N 3.11Å; H13-L16 HydrophobicContact CB-CB 3.93Å; H13-L16 PolarHBondContact O-N 2.9Å; H13-L16 VanDerWaalsContact O-N 3.12Å | ||
| 14 | P | 53.2 | Low | 50 | Low | 63 Ų | 63 | 95.1 Ų | 95.1 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23 | -179 | -22.2 | 32 | 0 | 0 | 0 | 114.3 | R372 | P14-R372 PolarHBondContact O-NH2 3.15Š|
| 15 | T | 43 | Very low | 50 | Low | 116 Ų | 116 | 98.2 Ų | 98.2 | 71% | 0.712 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -19.9 | -179.2 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | H13 | H13-T15 PolarHBondContact O-N 3.44Å; H13-T15 VanDerWaalsContact O-N 3.11Å |
| 16 | L | 46.4 | Very low | 50.1 | Low | 90 Ų | 90 | 96.7 Ų | 96.7 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | trans | -94.4 | 103.6 | -179.4 | -114.8 | 99.6 | 0 | 0 | 0 | 110.2 | H13 L18 L21 | H13-L16 HydrophobicContact CB-CB 3.93Å; H13-L16 PolarHBondContact O-N 2.9Å; H13-L16 VanDerWaalsContact O-N 3.12Å; L16-L18 PolarHBondContact O-N 3.4Å; L16-L21 HydrophobicContact CD2-CD1 3.56Å; L16-L21 HydrophobicContact CG-CD1 4.31Å | ||
| 17 | K | 55.5 | Low | 50.2 | Low | 97 Ų | 97 | 96.8 Ų | 96.8 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | trans | -78.5 | 90.3 | 175.6 | -64.4 | 175.9 | -177.8 | 177.4 | 0 | 109.8 | E19 E20 L21 | K17-E19 PolarHBondContact O-N 3.14Å; K17-E19 VanDerWaalsContact O-N 3.09Å; K17-E20 HydrophobicContact CB-CB 4.09Å; K17-E20 HydrophobicContact CB-CG 4.26Å; K17-E20 HydrophobicContact CD-CG 4.4Å; K17-E20 WeakPolarHBondContact CD-OE2 3.22Å; K17-E20 IonicContact NZ-OE2 3.74Å; K17-E20 PolarHBondContact O-N 3.04Å; K17-L21 PolarHBondContact O-N 2.86Å; K17-L21 VanDerWaalsContact O-N 3.13Å | ||
| 18 | L | 48.8 | Very low | 50.8 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -33.5 | 178.1 | -84.1 | 114.2 | 0 | 0 | 0 | 112.6 | L6 L16 E20 L21 P29 | L6-L18 HydrophobicContact CD2-CB 3.97Å; L16-L18 PolarHBondContact O-N 3.4Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.14Å; L18-L21 HydrophobicContact CG-CD1 4.32Å; L18-L21 PolarHBondContact O-N 3.2Å; L18-P29 WeakPolarHBondContact O-CG 3.32Å |
| 19 | E | 53.9 | Low | 51.2 | Low | 137 Ų | 137 | 92.5 Ų | 92.5 | 64% | 0.64 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.4 | 177.4 | -60 | -179.6 | -176.8 | 0 | 0 | 114.5 | K17 P29 | K17-E19 PolarHBondContact O-N 3.14Å; K17-E19 VanDerWaalsContact O-N 3.09Å; E19-P29 WeakPolarHBondContact O-CD 3.35Å |
| 20 | E | 53.4 | Low | 51.6 | Low | 97 Ų | 97 | 93.7 Ų | 93.7 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -10.1 | -179.3 | -63.9 | -172.8 | 155.4 | 0 | 0 | 112.1 | K17 L18 T22 R354 | K17-E20 HydrophobicContact CB-CB 4.09Å; K17-E20 HydrophobicContact CB-CG 4.26Å; K17-E20 HydrophobicContact CD-CG 4.4Å; K17-E20 WeakPolarHBondContact CD-OE2 3.22Å; K17-E20 IonicContact NZ-OE2 3.74Å; K17-E20 PolarHBondContact O-N 3.04Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.14Å; E20-T22 PolarHBondContact O-N 3.21Å; E20-R354 IonicContact OE1-NH2 2.92Å; E20-R354 PolarHBondContact OE1-NH2 2.64Å |
| 21 | L | 49.1 | Very low | 51.8 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | trans | -68.9 | 102.5 | 176.9 | -82.7 | 163.2 | 0 | 0 | 0 | 110.8 | L16 K17 L18 | L16-L21 HydrophobicContact CD2-CD1 3.56Å; L16-L21 HydrophobicContact CG-CD1 4.31Å; K17-L21 PolarHBondContact O-N 2.86Å; K17-L21 VanDerWaalsContact O-N 3.13Å; L18-L21 HydrophobicContact CG-CD1 4.32Å; L18-L21 PolarHBondContact O-N 3.2Å | ||
| 22 | T | 48.6 | Very low | 52.3 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | trans | -78.1 | 132.9 | 171.3 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | E20 L27 T28 | E20-T22 PolarHBondContact O-N 3.21Å; T22-L27 WeakPolarHBondContact CA-O 3.27Å; T22-T28 HydrophobicContact CG2-CG2 4.32Å | ||
| 23 | N | 48.9 | Very low | 52.8 | Low | 85 Ų | 85 | 82.1 Ų | 82.1 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | trans | -62.6 | 169.1 | 166.9 | -169.3 | -4.4 | 0 | 0 | 0 | 110.1 | K25 G26 L27 L32 | N23-K25 PolarHBondContact O-N 3.33Å; N23-G26 PolarHBondContact O-N 2.85Å; N23-L27 PolarHBondContact N-O 2.86Å; N23-L32 HydrophobicContact CB-CD1 3.95Å | ||
| 24 | K | 46.2 | Very low | 53.2 | Low | 215 Ų | 215 | 77.5 Ų | 77.5 | 94% | 0.935 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -11.9 | 175.4 | -64.2 | -172.5 | 178.5 | -176.7 | 0 | 115.1 | ||
| 25 | K | 46.5 | Very low | 53.1 | Low | 178 Ų | 178 | 76.6 Ų | 76.6 | 77% | 0.774 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.4 | 173.4 | -62.9 | -173.5 | 177.3 | -176.3 | 0 | 114.6 | N23 L27 | N23-K25 PolarHBondContact O-N 3.33Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 HydrophobicContact CB-CD1 4.17Å; K25-L27 HydrophobicContact CB-CG 4.34Å; K25-L27 PolarHBondContact O-N 3.44Å |
| 26 | G | 55.2 | Low | 53.6 | Low | 53 Ų | 53 | 74 Ų | 74 | 55% | 0.546 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 73.9 | 13.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N23 | N23-G26 PolarHBondContact O-N 2.85Š|
| 27 | L | 55.5 | Low | 53.6 | Low | 38 Ų | 38 | 72.1 Ų | 72.1 | 20% | 0.199 | 40% | 0.399 | C | S | . | . | trans | -93 | 124.7 | -176.2 | -65.3 | 167.5 | 0 | 0 | 0 | 110.8 | T22 N23 K25 A31 | T22-L27 WeakPolarHBondContact CA-O 3.27Å; N23-L27 PolarHBondContact N-O 2.86Å; K25-L27 VanDerWaalsContact C-N 3.3Å; K25-L27 HydrophobicContact CB-CD1 4.17Å; K25-L27 HydrophobicContact CB-CG 4.34Å; K25-L27 PolarHBondContact O-N 3.44Å; L27-A31 HydrophobicContact CB-CB 4.24Å; L27-A31 HydrophobicContact CD2-CB 3.85Å | ||
| 28 | T | 64.6 | Low | 53.3 | Low | 52 Ų | 52 | 77.3 Ų | 77.3 | 32% | 0.319 | 42% | 0.422 | S | S | . | . | trans | -66.9 | 161 | 169.3 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | T22 L30 A31 L32 | T22-T28 HydrophobicContact CG2-CG2 4.32Å; T28-L30 PolarHBondContact O-N 2.92Å; T28-A31 CarbonylContact O-C 3.59Å; T28-A31 WeakPolarHBondContact O-CA 3.38Å; T28-A31 WeakPolarHBondContact O-CB 3.46Å; T28-A31 PolarHBondContact O-N 2.78Å; T28-A31 WeakPolarHBondContact OG1-CB 3.5Å; T28-A31 PolarHBondContact OG1-N 3.4Å; T28-L32 WeakPolarHBondContact O-CB 3.4Å; T28-L32 PolarHBondContact O-N 3.01Å | ||
| 29 | P | 58.5 | Low | 53.4 | Low | 29 Ų | 29 | 79.9 Ų | 79.9 | 19% | 0.188 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56.7 | -33.2 | 177.6 | -22.8 | 31.1 | 0 | 0 | 0 | 113.5 | Y2 L18 E19 L32 A33 | Y2-P29 WeakPolarHBondContact OH-CB 3.46Å; L18-P29 WeakPolarHBondContact O-CG 3.32Å; E19-P29 WeakPolarHBondContact O-CD 3.35Å; P29-L32 PolarHBondContact O-N 3.47Å; P29-A33 VanDerWaalsContact O-CB 3.27Å; P29-A33 WeakPolarHBondContact O-CB 2.91Å; P29-A33 PolarHBondContact O-N 3.11Å |
| 30 | L | 59.6 | Low | 53.3 | Low | 40 Ų | 40 | 76.7 Ų | 76.7 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 172.7 | 179.9 | 59.9 | 0 | 0 | 0 | 111.7 | T28 L32 A33 A34 L46 L51 L339 | T28-L30 PolarHBondContact O-N 2.92Å; L30-L32 PolarHBondContact O-N 3.12Å; L30-A33 PolarHBondContact O-N 3.37Å; L30-A34 WeakPolarHBondContact O-CB 2.95Å; L30-A34 PolarHBondContact O-N 3.24Å; L30-L46 HydrophobicContact CD1-CD2 4.19Å; L30-L51 HydrophobicContact CD1-CD1 3.49Å; L30-L51 VanDerWaalsContact CD1-CD1 3.49Å; L30-L51 HydrophobicContact CD1-CD2 3.66Å; L30-L51 HydrophobicContact CD1-CG 4.02Å; L30-L51 HydrophobicContact CD2-CD1 4.33Å; L30-L51 HydrophobicContact CG-CD1 4.46Å; L30-L339 HydrophobicContact CG-CD1 4.2Å |
| 31 | A | 56.6 | Low | 53.6 | Low | 6 Ų | 6 | 77.3 Ų | 77.3 | 5% | 0.05 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.6 | -31.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L27 T28 S35 L339 | L27-A31 HydrophobicContact CB-CB 4.24Å; L27-A31 HydrophobicContact CD2-CB 3.85Å; T28-A31 CarbonylContact O-C 3.59Å; T28-A31 WeakPolarHBondContact O-CA 3.38Å; T28-A31 WeakPolarHBondContact O-CB 3.46Å; T28-A31 PolarHBondContact O-N 2.78Å; T28-A31 WeakPolarHBondContact OG1-CB 3.5Å; T28-A31 PolarHBondContact OG1-N 3.4Å; A31-S35 WeakPolarHBondContact O-CB 3.37Å; A31-S35 PolarHBondContact O-N 3.34Å; A31-S35 PolarHBondContact O-OG 2.69Å; A31-L339 HydrophobicContact CB-CD1 4.47Å; A31-L339 HydrophobicContact CB-CD2 4.09Å |
| 32 | L | 59.8 | Low | 54.3 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 29% | 0.293 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.3 | -38.2 | 178.6 | -156.4 | 142.6 | 0 | 0 | 0 | 111.7 | N23 T28 P29 L30 A34 S35 S36 | N23-L32 HydrophobicContact CB-CD1 3.95Å; T28-L32 WeakPolarHBondContact O-CB 3.4Å; T28-L32 PolarHBondContact O-N 3.01Å; P29-L32 PolarHBondContact O-N 3.47Å; L30-L32 PolarHBondContact O-N 3.12Å; L32-A34 VanDerWaalsContact C-N 3.33Å; L32-S35 PolarHBondContact O-N 2.96Å; L32-S36 WeakPolarHBondContact O-CB 3.38Å; L32-S36 PolarHBondContact O-N 3.32Å; L32-S36 PolarHBondContact O-OG 3.13Å |
| 33 | A | 58.1 | Low | 54.7 | Low | 25 Ų | 25 | 73 Ų | 73 | 21% | 0.207 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P29 L30 M45 | P29-A33 VanDerWaalsContact O-CB 3.27Å; P29-A33 WeakPolarHBondContact O-CB 2.91Å; P29-A33 PolarHBondContact O-N 3.11Å; L30-A33 PolarHBondContact O-N 3.37Å; A33-M45 HydrophobicContact CB-CE 3.55Å |
| 34 | A | 55.7 | Low | 55.2 | Low | 19 Ų | 19 | 73.2 Ų | 73.2 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -76.2 | -29.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L30 L32 L339 | L30-A34 WeakPolarHBondContact O-CB 2.95Å; L30-A34 PolarHBondContact O-N 3.24Å; L32-A34 VanDerWaalsContact C-N 3.33Å; A34-L339 HydrophobicContact CB-CD1 3.97Å |
| 35 | S | 50.7 | Low | 56 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -102.5 | -25.6 | -173.3 | 63.8 | 0 | 0 | 0 | 0 | 115.8 | A31 L32 G37 | A31-S35 WeakPolarHBondContact O-CB 3.37Å; A31-S35 PolarHBondContact O-N 3.34Å; A31-S35 PolarHBondContact O-OG 2.69Å; L32-S35 PolarHBondContact O-N 2.96Å; S35-G37 PolarHBondContact O-N 2.7Å |
| 36 | S | 53.5 | Low | 56.7 | Low | 61 Ų | 61 | 57.8 Ų | 57.8 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | trans | -81.9 | 82.8 | 176.4 | -71 | 0 | 0 | 0 | 0 | 110.6 | L32 K38 | L32-S36 WeakPolarHBondContact O-CB 3.38Å; L32-S36 PolarHBondContact O-N 3.32Å; L32-S36 PolarHBondContact O-OG 3.13Å; S36-K38 PolarHBondContact O-N 3.48Å | ||
| 37 | G | 46.5 | Very low | 57.1 | Low | 50 Ų | 50 | 57.2 Ų | 57.2 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 31.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | S35 | S35-G37 PolarHBondContact O-N 2.7Š|
| 38 | K | 50.3 | Low | 57.7 | Low | 207 Ų | 207 | 57 Ų | 57 | 90% | 0.9 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -6.4 | -178.6 | -84.7 | -172.8 | 176.9 | -176.7 | 0 | 115.7 | S36 | S36-K38 PolarHBondContact O-N 3.48Š|
| 39 | I | 51.2 | Low | 57.8 | Low | 116 Ų | 116 | 58.5 Ų | 58.5 | 60% | 0.595 | 34% | 0.339 | S | S | * | . | trans | -108.7 | 115 | -174.4 | -57.5 | 162.6 | 0 | 0 | 0 | 109.1 | N41 R42 | I39-N41 PolarHBondContact O-N 3.22Å; I39-N41 VanDerWaalsContact O-N 3.1Å; I39-R42 PolarHBondContact O-N 3.38Å; I39-R42 VanDerWaalsContact O-N 3.16Å | ||
| 40 | G | 51.7 | Low | 58.3 | Low | 71 Ų | 71 | 59.4 Ų | 59.4 | 73% | 0.732 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R42 | G40-R42 PolarHBondContact O-N 3.24Š|
| 41 | N | 59.9 | Low | 58.7 | Low | 110 Ų | 110 | 59.2 Ų | 59.2 | 59% | 0.588 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 24.1 | -177.9 | -62.7 | 5 | 0 | 0 | 0 | 113.8 | I39 H43 D44 M45 | I39-N41 PolarHBondContact O-N 3.22Å; I39-N41 VanDerWaalsContact O-N 3.1Å; N41-H43 PolarHBondContact O-N 3.4Å; N41-D44 PolarHBondContact O-N 2.93Å; N41-D44 VanDerWaalsContact O-N 3.14Å; N41-M45 PolarHBondContact O-N 3.34Å |
| 42 | R | 61.9 | Low | 59.6 | Low | 51 Ų | 51 | 59.9 Ų | 59.9 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55 | -33.1 | 178 | 62.7 | -176.5 | -178.6 | 178 | 1.1 | 113.9 | I39 G40 L46 D142 L332 | I39-R42 PolarHBondContact O-N 3.38Å; I39-R42 VanDerWaalsContact O-N 3.16Å; G40-R42 PolarHBondContact O-N 3.24Å; R42-L46 WeakPolarHBondContact O-CG 3.21Å; R42-L46 PolarHBondContact O-N 2.98Å; R42-D142 IonicContact CZ-OD1 3.35Å; R42-D142 IonicContact CZ-OD2 3.86Å; R42-D142 VanDerWaalsContact NH1-CG 3.26Å; R42-D142 IonicContact NH1-OD1 2.99Å; R42-D142 PolarHBondContact NH1-OD1 3.14Å; R42-D142 IonicContact NH1-OD2 2.81Å; R42-D142 PolarHBondContact NH1-OD2 3.46Å; R42-D142 IonicContact NH2-OD1 2.79Å; R42-D142 PolarHBondContact NH2-OD1 3.47Å; R42-D142 IonicContact NH2-OD2 3.98Å; R42-L332 HydrophobicContact CG-CD2 4.07Å |
| 43 | H | 57.7 | Low | 60.4 | Low | 27 Ų | 27 | 62.8 Ų | 62.8 | 13% | 0.125 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | -179.3 | -63.1 | -77.2 | 0 | 0 | 0 | 110.7 | N41 M45 L46 L47 N328 L332 | N41-H43 PolarHBondContact O-N 3.4Å; H43-M45 PolarHBondContact O-N 2.71Å; H43-L46 PolarHBondContact O-N 3.42Å; H43-L47 WeakPolarHBondContact O-CG 3.35Å; H43-L47 PolarHBondContact O-N 2.92Å; H43-L47 VanDerWaalsContact O-N 3.16Å; H43-N328 HydrophobicContact CB-CB 3.99Å; H43-N328 PolarHBondContact ND1-O 3.43Å; H43-N328 VanDerWaalsContact ND1-O 3.1Å; H43-L332 WeakPolarHBondContact CE1-CD2 3.32Å; H43-L332 WeakPolarHBondContact ND1-CB 3.4Å |
| 44 | D | 60.3 | Low | 61.3 | Low | 89 Ų | 89 | 63.3 Ų | 63.3 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.1 | -32.6 | -178.1 | -57.5 | -26.3 | 0 | 0 | 0 | 112.6 | N41 L46 L47 | N41-D44 PolarHBondContact O-N 2.93Å; N41-D44 VanDerWaalsContact O-N 3.14Å; D44-L46 VanDerWaalsContact C-N 3.33Å; D44-L46 PolarHBondContact O-N 3.47Å; D44-L47 PolarHBondContact O-N 3.47Å |
| 45 | M | 62 | Low | 62.3 | Low | 58 Ų | 58 | 63 Ų | 63 | 29% | 0.286 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.8 | -28.4 | 176.4 | -170.9 | 173.7 | 143.7 | 0 | 0 | 112.9 | Y2 A33 N41 H43 V48 | Y2-M45 HydrophobicContact CD1-CE 3.88Å; Y2-M45 HydrophobicContact CD2-CE 3.35Å; Y2-M45 HydrophobicContact CD2-SD 4.08Å; Y2-M45 HydrophobicContact CE1-CE 3.89Å; Y2-M45 HydrophobicContact CE2-CE 3.39Å; Y2-M45 HydrophobicContact CG-CE 3.6Å; Y2-M45 HydrophobicContact CG-CG 4.28Å; Y2-M45 HydrophobicContact CG-SD 4.14Å; A33-M45 HydrophobicContact CB-CE 3.55Å; N41-M45 PolarHBondContact O-N 3.34Å; H43-M45 PolarHBondContact O-N 2.71Å; M45-V48 VanDerWaalsContact O-CG2 3.24Å; M45-V48 WeakPolarHBondContact O-CG2 3.39Å |
| 46 | L | 61.7 | Low | 63.7 | Low | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -86.8 | -14.2 | 175.7 | -65.5 | 173.4 | 0 | 0 | 0 | 113.3 | L30 R42 H43 D44 L51 L332 | L30-L46 HydrophobicContact CD1-CD2 4.19Å; R42-L46 WeakPolarHBondContact O-CG 3.21Å; R42-L46 PolarHBondContact O-N 2.98Å; H43-L46 PolarHBondContact O-N 3.42Å; D44-L46 VanDerWaalsContact C-N 3.33Å; D44-L46 PolarHBondContact O-N 3.47Å; L46-L51 HydrophobicContact CB-CD2 4.2Å; L46-L51 HydrophobicContact CD2-CD2 3.3Å; L46-L51 HydrophobicContact CG-CD2 4.31Å; L46-L332 HydrophobicContact CD1-CB 4.37Å; L46-L332 HydrophobicContact CD1-CD1 3.12Å; L46-L332 HydrophobicContact CD1-CG 4.31Å |
| 47 | L | 62.6 | Low | 64.9 | Low | 41 Ų | 41 | 63.2 Ų | 63.2 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | trans | -78.9 | -6.8 | 174 | -73.3 | 168.1 | 0 | 0 | 0 | 113.4 | H43 D44 E49 N328 K331 | H43-L47 WeakPolarHBondContact O-CG 3.35Å; H43-L47 PolarHBondContact O-N 2.92Å; H43-L47 VanDerWaalsContact O-N 3.16Å; D44-L47 PolarHBondContact O-N 3.47Å; L47-E49 PolarHBondContact O-N 3.32Å; L47-E49 VanDerWaalsContact O-N 3.17Å; L47-N328 HydrophobicContact CD1-CB 3.95Å; L47-N328 WeakPolarHBondContact CD1-ND2 3.34Å; L47-N328 VanDerWaalsContact CD1-OD1 3.3Å; L47-N328 WeakPolarHBondContact CD1-OD1 3.43Å; L47-K331 HydrophobicContact CD2-CD 3.39Å | ||
| 48 | V | 68.3 | Low | 66.5 | Low | 32 Ų | 32 | 62.2 Ų | 62.2 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -53.5 | 123.7 | 174.5 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | N3 M45 P50 L51 N52 | N3-V48 VanDerWaalsContact ND2-CG1 3.31Å; N3-V48 WeakPolarHBondContact ND2-CG1 3.49Å; N3-V48 WeakPolarHBondContact OD1-CG1 3.41Å; M45-V48 VanDerWaalsContact O-CG2 3.24Å; M45-V48 WeakPolarHBondContact O-CG2 3.39Å; V48-P50 HydrophobicContact CG1-CG 3.81Å; V48-L51 WeakPolarHBondContact O-CB 3.45Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-N52 PolarHBondContact O-N 2.95Å |
| 49 | E | 66.7 | Low | 68.1 | Low | 84 Ų | 84 | 53.1 Ų | 53.1 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -44.1 | -52.6 | -168.8 | -160.5 | 83.2 | -150 | 0 | 0 | 114 | L47 L51 N52 R53 V377 E379 | L47-E49 PolarHBondContact O-N 3.32Å; L47-E49 VanDerWaalsContact O-N 3.17Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 3.42Å; E49-N52 PolarHBondContact O-N 2.89Å; E49-R53 WeakPolarHBondContact O-CB 3.34Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.48Å; E49-R53 PolarHBondContact O-N 3.39Å; E49-R53 IonicContact OE1-NE 3.84Å; E49-V377 HydrophobicContact CG-CG1 4.45Å; E49-E379 HydrophobicContact CG-CG 4.04Å |
| 50 | P | 68.9 | Low | 69.6 | Low | 48 Ų | 48 | 51.6 Ų | 51.6 | 31% | 0.312 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 178.7 | 19.4 | -34.4 | 0 | 0 | 0 | 113.7 | V48 L54 V377 | V48-P50 HydrophobicContact CG1-CG 3.81Å; P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.25Å; P50-L54 PolarHBondContact O-N 2.84Å; P50-V377 HydrophobicContact CB-CG2 3.98Å |
| 51 | L | 69.4 | Low | 70.9 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.6 | -41.9 | -178.7 | -161.7 | 82.5 | 0 | 0 | 0 | 111.7 | L30 L46 V48 E49 R53 L54 L55 | L30-L51 HydrophobicContact CD1-CD1 3.49Å; L30-L51 VanDerWaalsContact CD1-CD1 3.49Å; L30-L51 HydrophobicContact CD1-CD2 3.66Å; L30-L51 HydrophobicContact CD1-CG 4.02Å; L30-L51 HydrophobicContact CD2-CD1 4.33Å; L30-L51 HydrophobicContact CG-CD1 4.46Å; L46-L51 HydrophobicContact CB-CD2 4.2Å; L46-L51 HydrophobicContact CD2-CD2 3.3Å; L46-L51 HydrophobicContact CG-CD2 4.31Å; V48-L51 WeakPolarHBondContact O-CB 3.45Å; V48-L51 PolarHBondContact O-N 3.28Å; E49-L51 VanDerWaalsContact C-N 3.31Å; E49-L51 PolarHBondContact O-N 3.42Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 3.46Å; L51-L54 PolarHBondContact O-N 3.37Å; L51-L55 HydrophobicContact CD2-CD1 4.37Å; L51-L55 HydrophobicContact CG-CD1 4.29Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 3.17Å |
| 52 | N | 74.9 | Confident | 71.8 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.6 | -177.3 | 43 | 0 | 0 | 0 | 110.8 | V48 E49 Q56 K331 | V48-N52 PolarHBondContact O-N 2.95Å; E49-N52 PolarHBondContact O-N 2.89Å; N52-Q56 WeakPolarHBondContact O-CB 3.48Å; N52-Q56 PolarHBondContact O-N 2.85Å; N52-K331 PolarHBondContact ND2-NZ 3.5Å |
| 53 | R | 76.3 | Confident | 72.7 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 44% | 0.438 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 175.5 | -69.3 | -71.6 | -173.9 | 161.7 | 4.8 | 112.5 | E49 L51 Q56 D57 F375 V377 | E49-R53 WeakPolarHBondContact O-CB 3.34Å; E49-R53 VanDerWaalsContact O-CG 3.3Å; E49-R53 WeakPolarHBondContact O-CG 3.48Å; E49-R53 PolarHBondContact O-N 3.39Å; E49-R53 IonicContact OE1-NE 3.84Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 3.46Å; R53-Q56 PolarHBondContact O-N 3.37Å; R53-D57 PolarHBondContact O-N 3.46Å; R53-F375 HydrophobicContact CB-CE1 3.99Å; R53-V377 HydrophobicContact CG-CG1 4.22Å |
| 54 | L | 77.3 | Confident | 74 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 175.3 | -178.9 | 71 | 0 | 0 | 0 | 112 | P50 L51 Q56 D57 K58 F375 | P50-L54 VanDerWaalsContact O-CB 3.3Å; P50-L54 WeakPolarHBondContact O-CB 3.25Å; P50-L54 PolarHBondContact O-N 2.84Å; L51-L54 PolarHBondContact O-N 3.37Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.06Å; L54-D57 PolarHBondContact O-N 3.39Å; L54-K58 WeakPolarHBondContact O-CG 3.38Å; L54-K58 PolarHBondContact O-N 2.99Å; L54-F375 HydrophobicContact CB-CD1 4.33Å; L54-F375 HydrophobicContact CB-CE1 4.17Å; L54-F375 HydrophobicContact CB-CZ 4.41Å; L54-F375 HydrophobicContact CD1-CB 4.46Å; L54-F375 HydrophobicContact CD1-CD1 4.28Å; L54-F375 HydrophobicContact CD1-CD2 3.63Å; L54-F375 HydrophobicContact CD1-CE1 4.48Å; L54-F375 HydrophobicContact CD1-CE2 3.86Å; L54-F375 HydrophobicContact CD1-CG 3.87Å; L54-F375 HydrophobicContact CD1-CZ 4.29Å |
| 55 | L | 76.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 177.5 | -72.9 | 168.8 | 0 | 0 | 0 | 111.8 | L51 W59 A335 I338 | L51-L55 HydrophobicContact CD2-CD1 4.37Å; L51-L55 HydrophobicContact CG-CD1 4.29Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.32Å; L51-L55 WeakPolarHBondContact O-CG 3.5Å; L51-L55 PolarHBondContact O-N 3.17Å; L55-W59 WeakPolarHBondContact O-CB 3.49Å; L55-W59 PolarHBondContact O-N 3.09Å; L55-A335 HydrophobicContact CD1-CB 3.64Å; L55-A335 HydrophobicContact CD2-CB 4.3Å; L55-I338 HydrophobicContact CB-CD1 4.16Å; L55-I338 HydrophobicContact CD2-CD1 4.04Å; L55-I338 HydrophobicContact CD2-CG2 4.2Å; L55-I338 WeakPolarHBondContact O-CD1 3.21Å |
| 56 | Q | 79.8 | Confident | 76.2 | Confident | 70 Ų | 70 | 55.1 Ų | 55.1 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70 | -44.2 | 175.8 | -170.8 | 164.9 | -9.8 | 0 | 0 | 112.3 | N52 R53 L54 K58 W59 D60 | N52-Q56 WeakPolarHBondContact O-CB 3.48Å; N52-Q56 PolarHBondContact O-N 2.85Å; R53-Q56 PolarHBondContact O-N 3.37Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.06Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.46Å; Q56-W59 WeakPolarHBondContact O-CB 3.37Å; Q56-W59 PolarHBondContact O-N 2.97Å; Q56-W59 VanDerWaalsContact O-N 3.14Å; Q56-D60 PolarHBondContact O-N 3.27Å |
| 57 | D | 79.1 | Confident | 77.4 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -45.4 | 173.9 | 173.1 | 68.8 | 0 | 0 | 0 | 111.5 | R53 L54 W59 D60 R61 S355 F375 | R53-D57 PolarHBondContact O-N 3.46Å; L54-D57 PolarHBondContact O-N 3.39Å; D57-W59 VanDerWaalsContact C-N 3.3Å; D57-W59 PolarHBondContact O-N 3.21Å; D57-D60 PolarHBondContact O-N 3.01Å; D57-R61 WeakPolarHBondContact O-CB 3Å; D57-R61 PolarHBondContact O-N 3.02Å; D57-R61 IonicContact OD1-CZ 2.69Å; D57-R61 IonicContact OD1-NE 3.47Å; D57-R61 IonicContact OD1-NH2 3.84Å; D57-R61 PolarHBondContact OD1-NH2 3.45Å; D57-R61 IonicContact OD2-CZ 3.66Å; D57-R61 IonicContact OD2-NE 3.62Å; D57-R61 IonicContact OD2-NH2 2.92Å; D57-R61 PolarHBondContact OD2-NH2 3.09Å; D57-S355 PolarHBondContact OD2-OG 3.14Å; D57-F375 HydrophobicContact CB-CE2 3.96Å; D57-F375 HydrophobicContact CB-CZ 3.9Å |
| 58 | K | 81.4 | Confident | 78.5 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 13% | 0.13 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 175 | -74.6 | 176.2 | 161 | -151.9 | 0 | 112.3 | L54 Q56 F62 V63 I338 E342 | L54-K58 WeakPolarHBondContact O-CG 3.38Å; L54-K58 PolarHBondContact O-N 2.99Å; Q56-K58 VanDerWaalsContact C-N 3.35Å; Q56-K58 PolarHBondContact O-N 3.46Å; K58-F62 PolarHBondContact O-N 3.13Å; K58-V63 PolarHBondContact O-N 3.04Å; K58-I338 HydrophobicContact CB-CG2 4.39Å; K58-I338 HydrophobicContact CD-CG2 4.48Å; K58-E342 VanDerWaalsContact CD-OE1 3.22Å; K58-E342 WeakPolarHBondContact CD-OE1 3.14Å; K58-E342 VanDerWaalsContact CE-OE1 3.22Å; K58-E342 WeakPolarHBondContact CE-OE1 3.46Å; K58-E342 VanDerWaalsContact NZ-CD 3.29Å; K58-E342 IonicContact NZ-OE1 3.55Å; K58-E342 PolarHBondContact NZ-OE1 2.95Å; K58-E342 IonicContact NZ-OE2 3.87Å; K58-E342 PolarHBondContact NZ-OE2 3.14Å |
| 59 | W | 83.2 | Confident | 79.5 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -61.5 | -54.5 | 178.1 | -178.5 | -95.3 | 0 | 0 | 0 | 111.7 | L55 Q56 D57 R61 V63 K64 F67 G191 R334 I338 | L55-W59 WeakPolarHBondContact O-CB 3.49Å; L55-W59 PolarHBondContact O-N 3.09Å; Q56-W59 WeakPolarHBondContact O-CB 3.37Å; Q56-W59 PolarHBondContact O-N 2.97Å; Q56-W59 VanDerWaalsContact O-N 3.14Å; D57-W59 VanDerWaalsContact C-N 3.3Å; D57-W59 PolarHBondContact O-N 3.21Å; W59-R61 PolarHBondContact O-N 2.96Å; W59-V63 HydrophobicContact CD2-CB 4.47Å; W59-V63 HydrophobicContact CE3-CB 3.85Å; W59-V63 HydrophobicContact CE3-CG1 3.55Å; W59-V63 HydrophobicContact CH2-CG1 4.5Å; W59-V63 HydrophobicContact CZ3-CB 4.31Å; W59-V63 HydrophobicContact CZ3-CG1 3.53Å; W59-V63 PolarHBondContact O-N 3.04Å; W59-K64 WeakPolarHBondContact O-CB 3.34Å; W59-K64 PolarHBondContact O-N 3.4Å; W59-F67 HydrophobicContact CH2-CB 4.38Å; W59-F67 HydrophobicContact CH2-CD1 4.36Å; W59-F67 HydrophobicContact CH2-CD2 4.31Å; W59-F67 HydrophobicContact CH2-CG 4.09Å; W59-G191 WeakPolarHBondContact CZ2-O 3.42Å; W59-R334 HydrophobicContact CD2-CG 4.3Å; W59-R334 HydrophobicContact CE3-CG 3.89Å; W59-R334 HydrophobicContact CZ3-CG 4.07Å; W59-I338 HydrophobicContact CB-CD1 4.25Å; W59-I338 HydrophobicContact CE3-CD1 4.11Å; W59-I338 HydrophobicContact CE3-CG1 3.77Å; W59-I338 HydrophobicContact CZ3-CG1 4.41Å |
| 60 | D | 82.4 | Confident | 80.5 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -70.1 | -33.9 | -173.5 | -70.6 | -34.5 | 0 | 0 | 0 | 112.6 | Q56 D57 | Q56-D60 PolarHBondContact O-N 3.27Å; D57-D60 PolarHBondContact O-N 3.01Å |
| 61 | R | 79.6 | Confident | 81.5 | Confident | 147 Ų | 147 | 61 Ų | 61 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | I | π-helix | trans | -70.2 | -42.8 | -178.7 | -167.9 | 175.2 | -62.2 | -157 | 1.7 | 112.8 | D57 W59 | D57-R61 WeakPolarHBondContact O-CB 3Å; D57-R61 PolarHBondContact O-N 3.02Å; D57-R61 IonicContact OD1-CZ 2.69Å; D57-R61 IonicContact OD1-NE 3.47Å; D57-R61 IonicContact OD1-NH2 3.84Å; D57-R61 PolarHBondContact OD1-NH2 3.45Å; D57-R61 IonicContact OD2-CZ 3.66Å; D57-R61 IonicContact OD2-NE 3.62Å; D57-R61 IonicContact OD2-NH2 2.92Å; D57-R61 PolarHBondContact OD2-NH2 3.09Å; W59-R61 PolarHBondContact O-N 2.96Å |
| 62 | F | 77.3 | Confident | 82.6 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -145.7 | -43.5 | -167.2 | 123.3 | -80.1 | 0 | 0 | 0 | 115.3 | K58 K64 R65 I66 E342 F345 F353 | K58-F62 PolarHBondContact O-N 3.13Å; F62-K64 PolarHBondContact O-N 2.75Å; F62-R65 PolarHBondContact O-N 3.02Å; F62-R65 VanDerWaalsContact O-N 3.12Å; F62-I66 HydrophobicContact CD2-CD1 3.25Å; F62-I66 HydrophobicContact CD2-CG1 4.25Å; F62-I66 HydrophobicContact CE2-CD1 3.22Å; F62-I66 HydrophobicContact CE2-CG1 4.5Å; F62-I66 HydrophobicContact CG-CD1 4.37Å; F62-I66 HydrophobicContact CZ-CD1 4.28Å; F62-I66 PolarHBondContact O-N 2.78Å; F62-E342 HydrophobicContact CE1-CG 4.38Å; F62-F345 HydrophobicContact CD2-CZ 4.33Å; F62-F345 HydrophobicContact CE1-CE2 4.26Å; F62-F345 HydrophobicContact CE2-CD1 4.4Å; F62-F345 HydrophobicContact CE2-CD2 4.12Å; F62-F345 AromaticContact CE2-CE1 3.69Å; F62-F345 HydrophobicContact CE2-CE1 3.69Å; F62-F345 AromaticContact CE2-CE2 3.38Å; F62-F345 HydrophobicContact CE2-CE2 3.38Å; F62-F345 AromaticContact CE2-CZ 3.14Å; F62-F345 HydrophobicContact CE2-CZ 3.14Å; F62-F345 AromaticContact CZ-CD2 3.78Å; F62-F345 HydrophobicContact CZ-CD2 3.78Å; F62-F345 HydrophobicContact CZ-CE1 4.26Å; F62-F345 AromaticContact CZ-CE2 3.05Å; F62-F345 HydrophobicContact CZ-CE2 3.05Å; F62-F345 AromaticContact CZ-CZ 3.37Å; F62-F345 HydrophobicContact CZ-CZ 3.37Å; F62-F353 HydrophobicContact CB-CD1 4.48Å; F62-F353 HydrophobicContact CB-CE1 4.46Å; F62-F353 HydrophobicContact CD2-CD1 4.17Å; F62-F353 HydrophobicContact CD2-CD2 4.21Å; F62-F353 AromaticContact CD2-CE1 4Å; F62-F353 HydrophobicContact CD2-CE1 4Å; F62-F353 AromaticContact CD2-CE2 4Å; F62-F353 HydrophobicContact CD2-CE2 4Å; F62-F353 HydrophobicContact CD2-CG 4.3Å; F62-F353 AromaticContact CD2-CZ 3.91Å; F62-F353 HydrophobicContact CD2-CZ 3.91Å; F62-F353 AromaticContact CE2-CD2 3.87Å; F62-F353 HydrophobicContact CE2-CD2 3.87Å; F62-F353 AromaticContact CE2-CE2 3.81Å; F62-F353 HydrophobicContact CE2-CE2 3.81Å; F62-F353 HydrophobicContact CE2-CG 4.28Å; F62-F353 HydrophobicContact CE2-CZ 4.2Å; F62-F353 HydrophobicContact CG-CD1 4.37Å; F62-F353 HydrophobicContact CG-CE1 4.48Å; F62-F353 HydrophobicContact CZ-CD2 4.39Å |
| 63 | V | 81.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -63.2 | -39.2 | -173.2 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | K58 W59 R65 I66 F67 I338 | K58-V63 PolarHBondContact O-N 3.04Å; W59-V63 HydrophobicContact CD2-CB 4.47Å; W59-V63 HydrophobicContact CE3-CB 3.85Å; W59-V63 HydrophobicContact CE3-CG1 3.55Å; W59-V63 HydrophobicContact CH2-CG1 4.5Å; W59-V63 HydrophobicContact CZ3-CB 4.31Å; W59-V63 HydrophobicContact CZ3-CG1 3.53Å; W59-V63 PolarHBondContact O-N 3.04Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.91Å; V63-I66 PolarHBondContact O-N 3.36Å; V63-F67 WeakPolarHBondContact O-CB 3.2Å; V63-F67 PolarHBondContact O-N 3.42Å; V63-I338 HydrophobicContact CB-CG1 4.46Å; V63-I338 HydrophobicContact CG1-CG1 4.2Å; V63-I338 HydrophobicContact CG2-CB 4.42Å; V63-I338 HydrophobicContact CG2-CG1 4.11Å; V63-I338 HydrophobicContact CG2-CG2 4.1Å |
| 64 | K | 84 | Confident | 84.2 | Confident | 87 Ų | 87 | 62 Ų | 62 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.9 | -47.3 | 176.6 | -175.3 | 176.9 | -179.3 | -179.6 | 0 | 112.1 | W59 F62 Y68 | W59-K64 WeakPolarHBondContact O-CB 3.34Å; W59-K64 PolarHBondContact O-N 3.4Å; F62-K64 PolarHBondContact O-N 2.75Å; K64-Y68 HydrophobicContact CD-CE2 4.11Å; K64-Y68 HydrophobicContact CG-CD2 3.78Å; K64-Y68 HydrophobicContact CG-CE2 3.36Å; K64-Y68 WeakPolarHBondContact O-CD2 3.43Å; K64-Y68 PolarHBondContact O-N 3.02Å |
| 65 | R | 84.8 | Confident | 85 | Confident | 188 Ų | 188 | 61.1 Ų | 61.1 | 71% | 0.709 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.4 | -44.8 | -178.9 | -65 | -177 | -169.2 | 172.3 | 3.2 | 111.8 | F62 V63 Y68 F69 | F62-R65 PolarHBondContact O-N 3.02Å; F62-R65 VanDerWaalsContact O-N 3.12Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.91Å; R65-Y68 PolarHBondContact O-N 2.91Å; R65-F69 WeakPolarHBondContact O-CB 3.11Å; R65-F69 PolarHBondContact O-N 2.99Å |
| 66 | I | 84.4 | Confident | 85.9 | Confident | 42 Ų | 42 | 64 Ų | 64 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | -178.3 | -66 | 178.3 | 0 | 0 | 0 | 111.2 | F62 V63 F69 N70 T341 F345 | F62-I66 HydrophobicContact CD2-CD1 3.25Å; F62-I66 HydrophobicContact CD2-CG1 4.25Å; F62-I66 HydrophobicContact CE2-CD1 3.22Å; F62-I66 HydrophobicContact CE2-CG1 4.5Å; F62-I66 HydrophobicContact CG-CD1 4.37Å; F62-I66 HydrophobicContact CZ-CD1 4.28Å; F62-I66 PolarHBondContact O-N 2.78Å; V63-I66 PolarHBondContact O-N 3.36Å; I66-F69 PolarHBondContact O-N 3.47Å; I66-N70 WeakPolarHBondContact O-CB 3.42Å; I66-N70 VanDerWaalsContact O-CG 3.26Å; I66-N70 PolarHBondContact O-N 3.28Å; I66-N70 PolarHBondContact O-ND2 2.92Å; I66-T341 HydrophobicContact CG2-CG2 4.21Å; I66-F345 HydrophobicContact CD1-CE1 3.49Å; I66-F345 VanDerWaalsContact CD1-CE1 3.49Å; I66-F345 HydrophobicContact CD1-CZ 3.34Å; I66-F345 HydrophobicContact CG2-CZ 4.25Å |
| 67 | F | 85.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 175.2 | -173 | -89.3 | 0 | 0 | 0 | 111.1 | W59 V63 N70 F71 Y188 T337 | W59-F67 HydrophobicContact CH2-CB 4.38Å; W59-F67 HydrophobicContact CH2-CD1 4.36Å; W59-F67 HydrophobicContact CH2-CD2 4.31Å; W59-F67 HydrophobicContact CH2-CG 4.09Å; V63-F67 WeakPolarHBondContact O-CB 3.2Å; V63-F67 PolarHBondContact O-N 3.42Å; F67-N70 PolarHBondContact O-N 2.92Å; F67-F71 WeakPolarHBondContact O-CB 3.38Å; F67-F71 PolarHBondContact O-N 3.3Å; F67-Y188 HydrophobicContact CE1-CD1 4.14Å; F67-Y188 WeakPolarHBondContact CE1-O 3.36Å; F67-Y188 HydrophobicContact CE2-CD1 4.25Å; F67-Y188 AromaticContact CZ-CD1 3.88Å; F67-Y188 HydrophobicContact CZ-CD1 3.88Å; F67-T337 HydrophobicContact CD2-CG2 4.11Å; F67-T337 HydrophobicContact CE2-CG2 4.03Å |
| 68 | Y | 87.2 | Confident | 87.3 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 28% | 0.275 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.7 | -72.7 | -52.8 | 0 | 0 | 0 | 113.3 | K64 R65 F71 F72 F192 | K64-Y68 HydrophobicContact CD-CE2 4.11Å; K64-Y68 HydrophobicContact CG-CD2 3.78Å; K64-Y68 HydrophobicContact CG-CE2 3.36Å; K64-Y68 WeakPolarHBondContact O-CD2 3.43Å; K64-Y68 PolarHBondContact O-N 3.02Å; R65-Y68 PolarHBondContact O-N 2.91Å; Y68-F71 WeakPolarHBondContact O-CB 3.31Å; Y68-F71 PolarHBondContact O-N 2.77Å; Y68-F72 WeakPolarHBondContact O-CB 3.1Å; Y68-F72 PolarHBondContact O-N 3.06Å; Y68-F192 HydrophobicContact CD1-CZ 4.44Å; Y68-F192 AromaticContact CE1-CE1 3.7Å; Y68-F192 HydrophobicContact CE1-CE1 3.7Å; Y68-F192 AromaticContact CE1-CE2 3.98Å; Y68-F192 HydrophobicContact CE1-CE2 3.98Å; Y68-F192 AromaticContact CE1-CZ 3.39Å; Y68-F192 HydrophobicContact CE1-CZ 3.39Å; Y68-F192 AromaticContact CZ-CE1 3.76Å; Y68-F192 AromaticContact CZ-CZ 3.97Å; Y68-F192 WeakPolarHBondContact OH-CD1 3.42Å; Y68-F192 WeakPolarHBondContact OH-CE1 3.4Å |
| 69 | F | 89.1 | Confident | 88 | Confident | 132 Ų | 132 | 62.4 Ų | 62.4 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 173.4 | -179.5 | -99.1 | 0 | 0 | 0 | 111.4 | R65 I66 F71 F72 V73 | R65-F69 WeakPolarHBondContact O-CB 3.11Å; R65-F69 PolarHBondContact O-N 2.99Å; I66-F69 PolarHBondContact O-N 3.47Å; F69-F71 VanDerWaalsContact C-N 3.32Å; F69-F71 PolarHBondContact O-N 2.9Å; F69-F72 PolarHBondContact O-N 3.49Å; F69-V73 HydrophobicContact CD1-CG2 4.26Å; F69-V73 HydrophobicContact CE1-CG2 3.84Å; F69-V73 HydrophobicContact CE2-CG2 4.29Å; F69-V73 HydrophobicContact CZ-CG2 3.86Å; F69-V73 WeakPolarHBondContact O-CG2 3.22Å; F69-V73 PolarHBondContact O-N 3.23Å |
| 70 | N | 88 | Confident | 88.5 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.8 | -72.6 | -18.4 | 0 | 0 | 0 | 111.9 | I66 F67 V73 Y74 Y188 | I66-N70 WeakPolarHBondContact O-CB 3.42Å; I66-N70 VanDerWaalsContact O-CG 3.26Å; I66-N70 PolarHBondContact O-N 3.28Å; I66-N70 PolarHBondContact O-ND2 2.92Å; F67-N70 PolarHBondContact O-N 2.92Å; N70-V73 PolarHBondContact O-N 2.94Å; N70-Y74 WeakPolarHBondContact O-CB 3.41Å; N70-Y74 PolarHBondContact O-N 2.95Å; N70-Y188 HydrophobicContact CB-CE1 4.32Å |
| 71 | F | 90 | Very high | 89.1 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 173.4 | 171.6 | -116.2 | 0 | 0 | 0 | 111.5 | F67 Y68 F69 Y74 C75 M185 Y188 | F67-F71 WeakPolarHBondContact O-CB 3.38Å; F67-F71 PolarHBondContact O-N 3.3Å; Y68-F71 WeakPolarHBondContact O-CB 3.31Å; Y68-F71 PolarHBondContact O-N 2.77Å; F69-F71 VanDerWaalsContact C-N 3.32Å; F69-F71 PolarHBondContact O-N 2.9Å; F71-Y74 PolarHBondContact O-N 3.22Å; F71-C75 WeakPolarHBondContact CE2-SG 3.13Å; F71-C75 VanDerWaalsContact CZ-SG 3.51Å; F71-C75 PolarHBondContact O-N 3.48Å; F71-C75 PolarHBondContact O-SG 3.39Å; F71-M185 HydrophobicContact CE2-CE 3.86Å; F71-M185 HydrophobicContact CE2-CG 4.17Å; F71-M185 HydrophobicContact CZ-CE 3.89Å; F71-Y188 HydrophobicContact CB-CD1 3.71Å; F71-Y188 HydrophobicContact CB-CE1 4.21Å; F71-Y188 HydrophobicContact CB-CG 4.05Å; F71-Y188 HydrophobicContact CD2-CD1 4.06Å; F71-Y188 AromaticContact CD2-CD2 3.88Å; F71-Y188 HydrophobicContact CD2-CD2 3.88Å; F71-Y188 AromaticContact CD2-CG 3.47Å; F71-Y188 HydrophobicContact CD2-CG 3.47Å; F71-Y188 VanDerWaalsContact CD2-CG 3.47Å; F71-Y188 HydrophobicContact CE2-CG 4.36Å; F71-Y188 HydrophobicContact CG-CD1 4.36Å; F71-Y188 HydrophobicContact CG-CG 4.2Å |
| 72 | F | 91.9 | Very high | 89.8 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 52% | 0.518 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 179.1 | 179.8 | -104.5 | 0 | 0 | 0 | 112 | Y68 F69 Y74 C75 L76 | Y68-F72 WeakPolarHBondContact O-CB 3.1Å; Y68-F72 PolarHBondContact O-N 3.06Å; F69-F72 PolarHBondContact O-N 3.49Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 2.92Å; F72-C75 WeakPolarHBondContact O-CB 3.32Å; F72-C75 PolarHBondContact O-N 3.41Å; F72-L76 HydrophobicContact CD1-CD1 3.92Å; F72-L76 HydrophobicContact CD1-CG 4.46Å; F72-L76 HydrophobicContact CE1-CD1 3.38Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CE2-CG 4.46Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 HydrophobicContact CZ-CD2 4.27Å; F72-L76 HydrophobicContact CZ-CG 4.1Å; F72-L76 WeakPolarHBondContact O-CG 3.39Å; F72-L76 PolarHBondContact O-N 3.39Å |
| 73 | V | 92.4 | Very high | 90.4 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 42% | 0.418 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | F69 N70 L76 Y77 | F69-V73 HydrophobicContact CD1-CG2 4.26Å; F69-V73 HydrophobicContact CE1-CG2 3.84Å; F69-V73 HydrophobicContact CE2-CG2 4.29Å; F69-V73 HydrophobicContact CZ-CG2 3.86Å; F69-V73 WeakPolarHBondContact O-CG2 3.22Å; F69-V73 PolarHBondContact O-N 3.23Å; N70-V73 PolarHBondContact O-N 2.94Å; V73-L76 PolarHBondContact O-N 3.4Å; V73-Y77 WeakPolarHBondContact O-CB 3.22Å; V73-Y77 PolarHBondContact O-N 2.87Å |
| 74 | Y | 93 | Very high | 90.8 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 176.4 | -172.2 | -107.6 | 0 | 0 | 0 | 112.9 | N70 F71 F72 L76 Y77 M78 F121 F149 G181 N184 M185 Y188 | N70-Y74 WeakPolarHBondContact O-CB 3.41Å; N70-Y74 PolarHBondContact O-N 2.95Å; F71-Y74 PolarHBondContact O-N 3.22Å; F72-Y74 VanDerWaalsContact C-N 3.3Å; F72-Y74 PolarHBondContact O-N 2.92Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; Y74-Y77 HydrophobicContact CD2-CD1 4.04Å; Y74-Y77 AromaticContact CE2-CD1 3.85Å; Y74-Y77 HydrophobicContact CE2-CD1 3.85Å; Y74-Y77 HydrophobicContact CE2-CE1 4.18Å; Y74-Y77 WeakPolarHBondContact O-CB 3.3Å; Y74-Y77 PolarHBondContact O-N 3.39Å; Y74-M78 HydrophobicContact CD1-CG 4.18Å; Y74-M78 HydrophobicContact CE1-CG 3.72Å; Y74-M78 HydrophobicContact CE1-SD 4.39Å; Y74-M78 HydrophobicContact CE2-CG 4.35Å; Y74-M78 HydrophobicContact CE2-SD 4.45Å; Y74-M78 WeakPolarHBondContact O-CG 3.13Å; Y74-M78 PolarHBondContact O-N 3.3Å; Y74-F121 HydrophobicContact CD2-CE2 4.14Å; Y74-F121 AromaticContact CD2-CZ 3.7Å; Y74-F121 HydrophobicContact CD2-CZ 3.7Å; Y74-F121 HydrophobicContact CE2-CE2 4.01Å; Y74-F121 AromaticContact CE2-CZ 3.88Å; Y74-F121 HydrophobicContact CE2-CZ 3.88Å; Y74-F149 HydrophobicContact CD2-CE1 4.41Å; Y74-F149 HydrophobicContact CE1-CE1 4.26Å; Y74-F149 HydrophobicContact CE2-CD1 4.37Å; Y74-F149 AromaticContact CE2-CE1 3.73Å; Y74-F149 HydrophobicContact CE2-CE1 3.73Å; Y74-F149 AromaticContact CZ-CE1 3.63Å; Y74-G181 WeakPolarHBondContact OH-CA 3.49Å; Y74-G181 PolarHBondContact OH-O 3.38Å; Y74-N184 WeakPolarHBondContact OH-CB 3.23Å; Y74-M185 HydrophobicContact CE1-CB 4.41Å; Y74-Y188 HydrophobicContact CD1-CD2 4Å; Y74-Y188 AromaticContact CD1-CE2 3.47Å; Y74-Y188 HydrophobicContact CD1-CE2 3.47Å; Y74-Y188 VanDerWaalsContact CD1-CE2 3.47Å; Y74-Y188 HydrophobicContact CD2-CE2 4.45Å; Y74-Y188 HydrophobicContact CE1-CE2 4.19Å; Y74-Y188 AromaticContact CG-CE2 3.61Å; Y74-Y188 HydrophobicContact CG-CE2 3.61Å |
| 75 | C | 93.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.2 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | F71 F72 Y77 M78 I79 M185 | F71-C75 WeakPolarHBondContact CE2-SG 3.13Å; F71-C75 VanDerWaalsContact CZ-SG 3.51Å; F71-C75 PolarHBondContact O-N 3.48Å; F71-C75 PolarHBondContact O-SG 3.39Å; F72-C75 WeakPolarHBondContact O-CB 3.32Å; F72-C75 PolarHBondContact O-N 3.41Å; C75-Y77 PolarHBondContact O-N 2.95Å; C75-M78 PolarHBondContact O-N 3.47Å; C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.49Å; C75-I79 PolarHBondContact O-N 3.22Å; C75-M185 WeakPolarHBondContact SG-CE 3.4Å |
| 76 | L | 94.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.1 | -71.2 | 178.9 | 0 | 0 | 0 | 111.7 | F72 V73 Y74 M78 I79 I80 | F72-L76 HydrophobicContact CD1-CD1 3.92Å; F72-L76 HydrophobicContact CD1-CG 4.46Å; F72-L76 HydrophobicContact CE1-CD1 3.38Å; F72-L76 HydrophobicContact CE1-CG 4.1Å; F72-L76 HydrophobicContact CE2-CG 4.46Å; F72-L76 HydrophobicContact CZ-CD1 3.74Å; F72-L76 HydrophobicContact CZ-CD2 4.27Å; F72-L76 HydrophobicContact CZ-CG 4.1Å; F72-L76 WeakPolarHBondContact O-CG 3.39Å; F72-L76 PolarHBondContact O-N 3.39Å; V73-L76 PolarHBondContact O-N 3.4Å; Y74-L76 VanDerWaalsContact C-N 3.35Å; L76-M78 VanDerWaalsContact C-N 3.33Å; L76-M78 PolarHBondContact O-N 2.84Å; L76-I79 PolarHBondContact O-N 3.2Å; L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.43Å |
| 77 | Y | 94.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.7 | -46.7 | 174.1 | 166.4 | -100.5 | 0 | 0 | 0 | 111.8 | V73 Y74 C75 I80 F81 F121 Q152 | V73-Y77 WeakPolarHBondContact O-CB 3.22Å; V73-Y77 PolarHBondContact O-N 2.87Å; Y74-Y77 HydrophobicContact CD2-CD1 4.04Å; Y74-Y77 AromaticContact CE2-CD1 3.85Å; Y74-Y77 HydrophobicContact CE2-CD1 3.85Å; Y74-Y77 HydrophobicContact CE2-CE1 4.18Å; Y74-Y77 WeakPolarHBondContact O-CB 3.3Å; Y74-Y77 PolarHBondContact O-N 3.39Å; C75-Y77 PolarHBondContact O-N 2.95Å; Y77-I80 PolarHBondContact O-N 3.28Å; Y77-F81 VanDerWaalsContact O-CB 3.31Å; Y77-F81 WeakPolarHBondContact O-CB 3.34Å; Y77-F81 PolarHBondContact O-N 3.12Å; Y77-F121 HydrophobicContact CD1-CE2 4.2Å; Y77-F121 HydrophobicContact CE1-CE2 4.06Å; Y77-Q152 PolarHBondContact OH-NE2 3.2Å |
| 78 | M | 95 | Very high | 91.2 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 179.4 | -73 | -55.5 | -54 | 0 | 0 | 113.1 | Y74 C75 L76 F81 T82 L178 W182 | Y74-M78 HydrophobicContact CD1-CG 4.18Å; Y74-M78 HydrophobicContact CE1-CG 3.72Å; Y74-M78 HydrophobicContact CE1-SD 4.39Å; Y74-M78 HydrophobicContact CE2-CG 4.35Å; Y74-M78 HydrophobicContact CE2-SD 4.45Å; Y74-M78 WeakPolarHBondContact O-CG 3.13Å; Y74-M78 PolarHBondContact O-N 3.3Å; C75-M78 PolarHBondContact O-N 3.47Å; L76-M78 VanDerWaalsContact C-N 3.33Å; L76-M78 PolarHBondContact O-N 2.84Å; M78-F81 HydrophobicContact CE-CD1 4.43Å; M78-F81 PolarHBondContact O-N 3.34Å; M78-T82 WeakPolarHBondContact O-CB 3.41Å; M78-T82 PolarHBondContact O-N 2.88Å; M78-T82 PolarHBondContact O-OG1 3.05Å; M78-L178 HydrophobicContact CE-CD1 3.99Å; M78-W182 HydrophobicContact CB-CH2 4.49Å; M78-W182 HydrophobicContact CB-CZ2 4.28Å; M78-W182 HydrophobicContact CE-CB 4.42Å; M78-W182 VanDerWaalsContact CE-CD1 3.48Å; M78-W182 HydrophobicContact CE-CD2 4.07Å; M78-W182 HydrophobicContact CE-CG 3.76Å; M78-W182 VanDerWaalsContact CE-N 3.34Å |
| 79 | I | 94.8 | Very high | 90.8 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 44% | 0.441 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 175 | -69.1 | 164.8 | 0 | 0 | 0 | 110.1 | C75 L76 F81 T82 T83 | C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.49Å; C75-I79 PolarHBondContact O-N 3.22Å; L76-I79 PolarHBondContact O-N 3.2Å; I79-F81 VanDerWaalsContact C-N 3.34Å; I79-F81 PolarHBondContact O-N 3.27Å; I79-T82 PolarHBondContact O-N 3.36Å; I79-T83 WeakPolarHBondContact O-CB 3.31Å; I79-T83 PolarHBondContact O-N 2.96Å; I79-T83 PolarHBondContact O-OG1 3.39Å |
| 80 | I | 93.9 | Very high | 89.9 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.6 | -65.8 | 167.1 | 0 | 0 | 0 | 110.4 | L76 Y77 T82 T83 A84 L113 | L76-I80 WeakPolarHBondContact O-CB 3.4Å; L76-I80 VanDerWaalsContact O-CG1 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.33Å; L76-I80 PolarHBondContact O-N 3.43Å; Y77-I80 PolarHBondContact O-N 3.28Å; I80-T82 PolarHBondContact O-N 3.47Å; I80-T83 PolarHBondContact O-N 3.42Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.15Å; I80-L113 HydrophobicContact CB-CD2 4.47Å; I80-L113 HydrophobicContact CD1-CD2 3.32Å; I80-L113 HydrophobicContact CG1-CD2 4.41Å; I80-L113 HydrophobicContact CG2-CB 4.47Å; I80-L113 HydrophobicContact CG2-CD2 4Å |
| 81 | F | 94.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -40 | 177.3 | -176.4 | -143.1 | 0 | 0 | 0 | 112.5 | Y77 M78 I79 A84 A85 S114 M156 M174 S177 L178 | Y77-F81 VanDerWaalsContact O-CB 3.31Å; Y77-F81 WeakPolarHBondContact O-CB 3.34Å; Y77-F81 PolarHBondContact O-N 3.12Å; M78-F81 HydrophobicContact CE-CD1 4.43Å; M78-F81 PolarHBondContact O-N 3.34Å; I79-F81 VanDerWaalsContact C-N 3.34Å; I79-F81 PolarHBondContact O-N 3.27Å; F81-A84 PolarHBondContact O-N 2.87Å; F81-A85 WeakPolarHBondContact O-CB 3.42Å; F81-A85 PolarHBondContact O-N 2.89Å; F81-S114 WeakPolarHBondContact CA-OG 3.28Å; F81-M156 HydrophobicContact CD2-CE 3.97Å; F81-M156 HydrophobicContact CD2-SD 4.49Å; F81-M156 HydrophobicContact CE1-SD 4.43Å; F81-M156 HydrophobicContact CE2-CE 3.55Å; F81-M156 HydrophobicContact CE2-SD 3.6Å; F81-M156 HydrophobicContact CZ-CE 4.13Å; F81-M156 HydrophobicContact CZ-SD 3.58Å; F81-M156 VanDerWaalsContact CZ-SD 3.58Å; F81-M174 HydrophobicContact CE2-CG 3.97Å; F81-M174 HydrophobicContact CZ-CG 3.95Å; F81-S177 WeakPolarHBondContact CZ-OG 3.42Å; F81-L178 HydrophobicContact CD1-CB 4.43Å; F81-L178 HydrophobicContact CD1-CD1 3.54Å; F81-L178 HydrophobicContact CE1-CB 3.79Å; F81-L178 HydrophobicContact CE1-CD1 3.79Å; F81-L178 HydrophobicContact CE1-CG 4.42Å; F81-L178 HydrophobicContact CG-CD1 4.15Å; F81-L178 HydrophobicContact CZ-CB 4.22Å |
| 82 | T | 94.5 | Very high | 87.5 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 27% | 0.27 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | M78 I79 I80 A85 Y86 W182 | M78-T82 WeakPolarHBondContact O-CB 3.41Å; M78-T82 PolarHBondContact O-N 2.88Å; M78-T82 PolarHBondContact O-OG1 3.05Å; I79-T82 PolarHBondContact O-N 3.36Å; I80-T82 PolarHBondContact O-N 3.47Å; T82-A85 PolarHBondContact O-N 3.17Å; T82-Y86 WeakPolarHBondContact O-CB 3.38Å; T82-Y86 PolarHBondContact O-N 2.69Å; T82-W182 WeakPolarHBondContact OG1-CZ2 3.4Å; T82-W182 PolarHBondContact OG1-NE1 2.99Å |
| 83 | T | 91.5 | Very high | 86.5 | Confident | 62 Ų | 62 | 65 Ų | 65 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111 | I79 I80 Y86 Y87 | I79-T83 WeakPolarHBondContact O-CB 3.31Å; I79-T83 PolarHBondContact O-N 2.96Å; I79-T83 PolarHBondContact O-OG1 3.39Å; I80-T83 PolarHBondContact O-N 3.42Å; T83-Y86 PolarHBondContact O-N 3.32Å; T83-Y87 HydrophobicContact CG2-CD2 3.53Å; T83-Y87 HydrophobicContact CG2-CE2 3.59Å; T83-Y87 WeakPolarHBondContact O-CD2 3.48Å; T83-Y87 PolarHBondContact O-N 2.92Å |
| 84 | A | 89.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I80 F81 E111 | I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.15Å; F81-A84 PolarHBondContact O-N 2.87Å; A84-E111 HydrophobicContact CB-CG 4.3Å |
| 85 | A | 90 | Very high | 84.8 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F81 T82 R88 M174 L178 | F81-A85 WeakPolarHBondContact O-CB 3.42Å; F81-A85 PolarHBondContact O-N 2.89Å; T82-A85 PolarHBondContact O-N 3.17Å; A85-R88 WeakPolarHBondContact O-CB 3.45Å; A85-M174 HydrophobicContact CB-CE 3.95Å; A85-M174 HydrophobicContact CB-SD 4.48Å; A85-L178 HydrophobicContact CB-CD2 4.06Å |
| 86 | Y | 89.9 | Confident | 83.8 | Confident | 180 Ų | 180 | 65.6 Ų | 65.6 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.5 | -46.7 | -178.4 | -178.9 | -100.6 | 0 | 0 | 0 | 112.9 | T82 T83 R88 | T82-Y86 WeakPolarHBondContact O-CB 3.38Å; T82-Y86 PolarHBondContact O-N 2.69Å; T83-Y86 PolarHBondContact O-N 3.32Å; Y86-R88 PolarHBondContact O-N 3.46Å; Y86-R88 VanDerWaalsContact O-N 3.11Å |
| 87 | Y | 85.8 | Confident | 82.7 | Confident | 157 Ų | 157 | 71.2 Ų | 71.2 | 62% | 0.616 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 15.4 | 179.3 | -70.1 | -63.2 | 0 | 0 | 0 | 114 | T83 R107 | T83-Y87 HydrophobicContact CG2-CD2 3.53Å; T83-Y87 HydrophobicContact CG2-CE2 3.59Å; T83-Y87 WeakPolarHBondContact O-CD2 3.48Å; T83-Y87 PolarHBondContact O-N 2.92Å; Y87-R107 WeakPolarHBondContact O-CD 3.4Å |
| 88 | R | 81.1 | Confident | 81.6 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | trans | -68.3 | 130 | 177.2 | 178.7 | 176.6 | 170 | -103.9 | -11.7 | 110.3 | A85 Y86 V90 Y96 Y170 | A85-R88 WeakPolarHBondContact O-CB 3.45Å; Y86-R88 PolarHBondContact O-N 3.46Å; Y86-R88 VanDerWaalsContact O-N 3.11Å; R88-V90 PolarHBondContact O-N 3.48Å; R88-Y96 PolarHBondContact NH2-OH 2.72Å; R88-Y170 VanDerWaalsContact CZ-OH 3.29Å; R88-Y170 VanDerWaalsContact NE-CZ 3.32Å; R88-Y170 PolarHBondContact NE-OH 3.3Å; R88-Y170 VanDerWaalsContact NH2-CE1 3.27Å; R88-Y170 PolarHBondContact NH2-OH 2.74Å | ||
| 89 | P | 79.1 | Confident | 80.4 | Confident | 37 Ų | 37 | 79 Ų | 79 | 24% | 0.24 | 41% | 0.406 | C | S | . | . | trans | -66.1 | 129.1 | 173.3 | 26.7 | -32.6 | 0 | 0 | 0 | 110.5 | Y96 | P89-Y96 HydrophobicContact CB-CD1 4.38Å; P89-Y96 HydrophobicContact CB-CE1 4.36Å; P89-Y96 HydrophobicContact CG-CD1 3.74Å; P89-Y96 HydrophobicContact CG-CD2 3.72Å; P89-Y96 HydrophobicContact CG-CE1 3.88Å; P89-Y96 HydrophobicContact CG-CE2 3.86Å; P89-Y96 HydrophobicContact CG-CG 3.66Å; P89-Y96 PolarHBondContact O-OH 3.46Å; P89-Y96 VanDerWaalsContact O-OH 3.13Å | ||
| 90 | V | 70.7 | Confident | 79.6 | Confident | 132 Ų | 132 | 81 Ų | 81 | 80% | 0.8 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -79.4 | -26.6 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | R88 | R88-V90 PolarHBondContact O-N 3.48Š|
| 91 | E | 63.9 | Low | 79.2 | Confident | 177 Ų | 177 | 82.3 Ų | 82.3 | 83% | 0.827 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -98.7 | 127.3 | -175.4 | -61 | -171.7 | 176.3 | 0 | 0 | 112.1 | Y96 | E91-Y96 WeakPolarHBondContact O-CE1 3.49Š|
| 92 | G | 64.1 | Low | 78.7 | Confident | 48 Ų | 48 | 87 Ų | 87 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 120.5 | 166.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 93 | L | 69.6 | Low | 78.1 | Confident | 114 Ų | 114 | 87.1 Ų | 87.1 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 135.8 | 168 | -83 | 140.2 | 0 | 0 | 0 | 109 | ||
| 94 | P | 75.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 85.3 Ų | 85.3 | 1% | 0.006 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -65.1 | 149.5 | 170.3 | 28.7 | -33.1 | 0 | 0 | 0 | 109.7 | Y163 H166 Y170 | P94-Y163 HydrophobicContact CB-CD2 3.46Å; P94-Y163 VanDerWaalsContact CB-CD2 3.46Å; P94-Y163 HydrophobicContact CB-CE2 3.39Å; P94-Y163 HydrophobicContact CB-CG 4.29Å; P94-Y163 HydrophobicContact CG-CD2 4.43Å; P94-H166 PolarHBondContact O-ND1 2.65Å; P94-Y170 HydrophobicContact CB-CE1 4.16Å; P94-Y170 HydrophobicContact CG-CD1 4.31Å; P94-Y170 HydrophobicContact CG-CE1 3.83Å |
| 95 | P | 74.3 | Confident | 77.5 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | S | Bend | cis | -77.5 | 141.8 | -6.8 | 31.9 | -32.3 | 0 | 0 | 0 | 112 | Y163 H166 | P95-Y163 WeakPolarHBondContact CA-OH 3.47Å; P95-Y163 HydrophobicContact CB-CE1 3.92Å; P95-H166 WeakPolarHBondContact CD-CE1 3.41Å; P95-H166 WeakPolarHBondContact CD-ND1 3.14Å |
| 96 | Y | 74.6 | Confident | 77.4 | Confident | 36 Ų | 36 | 96.6 Ų | 96.6 | 14% | 0.141 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -74 | 137.4 | -179.5 | -56.7 | -78.7 | 0 | 0 | 0 | 110.9 | R88 P89 E91 L98 Y163 Y170 | R88-Y96 PolarHBondContact NH2-OH 2.72Å; P89-Y96 HydrophobicContact CB-CD1 4.38Å; P89-Y96 HydrophobicContact CB-CE1 4.36Å; P89-Y96 HydrophobicContact CG-CD1 3.74Å; P89-Y96 HydrophobicContact CG-CD2 3.72Å; P89-Y96 HydrophobicContact CG-CE1 3.88Å; P89-Y96 HydrophobicContact CG-CE2 3.86Å; P89-Y96 HydrophobicContact CG-CG 3.66Å; P89-Y96 PolarHBondContact O-OH 3.46Å; P89-Y96 VanDerWaalsContact O-OH 3.13Å; E91-Y96 WeakPolarHBondContact O-CE1 3.49Å; Y96-L98 PolarHBondContact O-N 3.3Å; Y96-Y163 HydrophobicContact CD2-CE2 4.27Å; Y96-Y163 HydrophobicContact CE2-CE2 4.23Å; Y96-Y163 PolarHBondContact N-OH 2.95Å; Y96-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y96-Y170 WeakPolarHBondContact CE2-OH 3.36Å; Y96-Y170 PolarHBondContact OH-OH 2.78Å |
| 97 | K | 70.8 | Confident | 77.2 | Confident | 190 Ų | 190 | 89.7 Ų | 89.7 | 83% | 0.826 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 131.1 | 174 | -68.6 | -177 | 178.8 | 179.7 | 0 | 109.2 | N99 | K97-N99 PolarHBondContact O-N 3Š|
| 98 | L | 71.5 | Confident | 77.3 | Confident | 76 Ų | 76 | 84.3 Ų | 84.3 | 40% | 0.398 | 45% | 0.452 | S | S | . | . | trans | -76 | 107.2 | 176.1 | -161.8 | 77 | 0 | 0 | 0 | 108.6 | Y96 D104 Y105 V108 | Y96-L98 PolarHBondContact O-N 3.3Å; L98-D104 HydrophobicContact CD1-CB 3.95Å; L98-Y105 HydrophobicContact CD2-CE1 4.14Å; L98-V108 HydrophobicContact CD1-CG2 3.62Å | ||
| 99 | N | 69.6 | Low | 77.7 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | trans | -78.1 | 133.3 | 162.1 | -64.9 | -19.7 | 0 | 0 | 0 | 105.6 | K97 T101 D104 | K97-N99 PolarHBondContact O-N 3Å; N99-T101 PolarHBondContact O-N 3.06Å; N99-D104 WeakPolarHBondContact O-CB 2.94Å | ||
| 100 | N | 76.5 | Confident | 78.3 | Confident | 129 Ų | 129 | 85 Ų | 85 | 69% | 0.69 | 46% | 0.463 | S | S | * | . | trans | -72 | 45.3 | -173.2 | -66.2 | -36.4 | 0 | 0 | 0 | 113 | Y105 | N100-Y105 PolarHBondContact OD1-OH 3.48Š| ||
| 101 | T | 85.6 | Confident | 79.2 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | trans | -89.9 | 142.3 | 178.4 | -39.6 | 0 | 0 | 0 | 0 | 109.3 | N99 G103 D104 Y105 | N99-T101 PolarHBondContact O-N 3.06Å; T101-G103 PolarHBondContact O-N 3.39Å; T101-G103 VanDerWaalsContact O-N 3.13Å; T101-D104 PolarHBondContact O-N 2.95Å; T101-D104 PolarHBondContact OG1-OD2 3.06Å; T101-Y105 VanDerWaalsContact O-CD2 3.31Å; T101-Y105 WeakPolarHBondContact O-CD2 3.2Å; T101-Y105 PolarHBondContact O-N 3.41Å | ||
| 102 | V | 84.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 78 Ų | 78 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -52.6 | -38.1 | 177.6 | 179.8 | 0 | 0 | 0 | 0 | 112 | D104 Y105 F106 | V102-D104 PolarHBondContact O-N 2.97Å; V102-Y105 PolarHBondContact O-N 3.45Å; V102-F106 HydrophobicContact CG1-CD2 3.87Å; V102-F106 HydrophobicContact CG1-CE2 3.59Å; V102-F106 VanDerWaalsContact O-CD2 3.23Å; V102-F106 WeakPolarHBondContact O-CD2 3.25Å; V102-F106 PolarHBondContact O-N 2.9Å |
| 103 | G | 82 | Confident | 82 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65 | -34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T101 F106 R107 | T101-G103 PolarHBondContact O-N 3.39Å; T101-G103 VanDerWaalsContact O-N 3.13Å; G103-F106 PolarHBondContact O-N 3.1Å; G103-R107 PolarHBondContact O-N 3.36Å |
| 104 | D | 82.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70 | -36.3 | 178 | -73.7 | -50.8 | 0 | 0 | 0 | 111.2 | L98 N99 T101 V102 R107 V108 | L98-D104 HydrophobicContact CD1-CB 3.95Å; N99-D104 WeakPolarHBondContact O-CB 2.94Å; T101-D104 PolarHBondContact O-N 2.95Å; T101-D104 PolarHBondContact OG1-OD2 3.06Å; V102-D104 PolarHBondContact O-N 2.97Å; D104-R107 PolarHBondContact O-N 3.01Å; D104-R107 IonicContact OD1-CZ 3.91Å; D104-R107 IonicContact OD1-NH1 2.91Å; D104-R107 PolarHBondContact OD1-NH1 2.83Å; D104-R107 IonicContact OD1-NH2 3.93Å; D104-R107 PolarHBondContact OD1-NH2 3.41Å; D104-V108 WeakPolarHBondContact O-CG2 3.36Å; D104-V108 PolarHBondContact O-N 3.5Å |
| 105 | Y | 87.3 | Confident | 84 | Confident | 119 Ų | 119 | 76.6 Ų | 76.6 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 172.9 | -72.1 | -72.3 | 0 | 0 | 0 | 112.4 | L98 N100 T101 V102 V108 T109 | L98-Y105 HydrophobicContact CD2-CE1 4.14Å; N100-Y105 PolarHBondContact OD1-OH 3.48Å; T101-Y105 VanDerWaalsContact O-CD2 3.31Å; T101-Y105 WeakPolarHBondContact O-CD2 3.2Å; T101-Y105 PolarHBondContact O-N 3.41Å; V102-Y105 PolarHBondContact O-N 3.45Å; Y105-V108 PolarHBondContact O-N 3.28Å; Y105-T109 WeakPolarHBondContact O-CB 3.32Å; Y105-T109 PolarHBondContact O-N 2.88Å; Y105-T109 PolarHBondContact O-OG1 3.46Å |
| 106 | F | 86.8 | Confident | 85 | Confident | 152 Ų | 152 | 76.2 Ų | 76.2 | 67% | 0.667 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 175.8 | -81.7 | -68.1 | 0 | 0 | 0 | 112 | V102 G103 T109 G110 | V102-F106 HydrophobicContact CG1-CD2 3.87Å; V102-F106 HydrophobicContact CG1-CE2 3.59Å; V102-F106 VanDerWaalsContact O-CD2 3.23Å; V102-F106 WeakPolarHBondContact O-CD2 3.25Å; V102-F106 PolarHBondContact O-N 2.9Å; G103-F106 PolarHBondContact O-N 3.1Å; F106-T109 PolarHBondContact O-N 3.05Å; F106-G110 PolarHBondContact O-N 3.15Å |
| 107 | R | 86.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 75 Ų | 75 | 13% | 0.132 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.2 | -53.2 | 175.6 | -175.4 | -176.4 | 70.7 | -130.2 | -10.6 | 111.5 | Y87 G103 D104 T109 G110 E111 | Y87-R107 WeakPolarHBondContact O-CD 3.4Å; G103-R107 PolarHBondContact O-N 3.36Å; D104-R107 PolarHBondContact O-N 3.01Å; D104-R107 IonicContact OD1-CZ 3.91Å; D104-R107 IonicContact OD1-NH1 2.91Å; D104-R107 PolarHBondContact OD1-NH1 2.83Å; D104-R107 IonicContact OD1-NH2 3.93Å; D104-R107 PolarHBondContact OD1-NH2 3.41Å; R107-T109 VanDerWaalsContact C-N 3.26Å; R107-T109 PolarHBondContact O-N 2.72Å; R107-G110 WeakPolarHBondContact O-CA 3.43Å; R107-G110 PolarHBondContact O-N 2.72Å; R107-E111 IonicContact NE-OE1 2.77Å; R107-E111 PolarHBondContact O-N 2.96Å |
| 108 | V | 87.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | -179.5 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L98 D104 Y105 G110 E111 I112 | L98-V108 HydrophobicContact CD1-CG2 3.62Å; D104-V108 WeakPolarHBondContact O-CG2 3.36Å; D104-V108 PolarHBondContact O-N 3.5Å; Y105-V108 PolarHBondContact O-N 3.28Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 3.37Å; V108-E111 PolarHBondContact O-N 2.63Å; V108-I112 HydrophobicContact CG1-CD1 3.75Å; V108-I112 HydrophobicContact CG1-CG1 4.3Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.43Å; V108-I112 PolarHBondContact O-N 3.38Å |
| 109 | T | 90.4 | Very high | 88 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 55% | 0.546 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | Y105 F106 R107 I112 L113 | Y105-T109 WeakPolarHBondContact O-CB 3.32Å; Y105-T109 PolarHBondContact O-N 2.88Å; Y105-T109 PolarHBondContact O-OG1 3.46Å; F106-T109 PolarHBondContact O-N 3.05Å; R107-T109 VanDerWaalsContact C-N 3.26Å; R107-T109 PolarHBondContact O-N 2.72Å; T109-I112 PolarHBondContact O-N 2.98Å; T109-L113 WeakPolarHBondContact O-CB 3.31Å; T109-L113 PolarHBondContact O-N 2.96Å |
| 110 | G | 90.5 | Very high | 89.1 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F106 R107 V108 L113 S114 | F106-G110 PolarHBondContact O-N 3.15Å; R107-G110 WeakPolarHBondContact O-CA 3.43Å; R107-G110 PolarHBondContact O-N 2.72Å; V108-G110 VanDerWaalsContact C-N 3.34Å; V108-G110 PolarHBondContact O-N 3.37Å; G110-L113 PolarHBondContact O-N 3.42Å; G110-S114 VanDerWaalsContact O-CB 3.31Å; G110-S114 WeakPolarHBondContact O-CB 3.33Å; G110-S114 PolarHBondContact O-N 3.41Å; G110-S114 PolarHBondContact O-OG 3.43Å |
| 111 | E | 90.1 | Very high | 89.9 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.248 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.4 | -48.8 | 174.5 | -71.9 | 175.1 | -176.3 | 0 | 0 | 111.3 | A84 R107 V108 L113 S114 V115 | A84-E111 HydrophobicContact CB-CG 4.3Å; R107-E111 IonicContact NE-OE1 2.77Å; R107-E111 PolarHBondContact O-N 2.96Å; V108-E111 PolarHBondContact O-N 2.63Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.99Å; E111-S114 PolarHBondContact O-N 3.1Å; E111-S114 VanDerWaalsContact O-N 3.17Å; E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 3.4Å |
| 112 | I | 92.1 | Very high | 90.2 | Very high | 111 Ų | 111 | 59.7 Ų | 59.7 | 57% | 0.569 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.1 | -44.8 | 177.1 | -68 | 167 | 0 | 0 | 0 | 110.3 | V108 T109 S114 V115 S116 | V108-I112 HydrophobicContact CG1-CD1 3.75Å; V108-I112 HydrophobicContact CG1-CG1 4.3Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.43Å; V108-I112 PolarHBondContact O-N 3.38Å; T109-I112 PolarHBondContact O-N 2.98Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 2.83Å; I112-V115 PolarHBondContact O-N 3.23Å; I112-S116 WeakPolarHBondContact O-CB 3.05Å; I112-S116 PolarHBondContact O-N 3.44Å; I112-S116 PolarHBondContact O-OG 3.27Å |
| 113 | L | 93.9 | Very high | 90.5 | Very high | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 178.5 | -166.1 | 73.3 | 0 | 0 | 0 | 111.2 | I80 T109 G110 E111 V115 S116 G117 | I80-L113 HydrophobicContact CB-CD2 4.47Å; I80-L113 HydrophobicContact CD1-CD2 3.32Å; I80-L113 HydrophobicContact CG1-CD2 4.41Å; I80-L113 HydrophobicContact CG2-CB 4.47Å; I80-L113 HydrophobicContact CG2-CD2 4Å; T109-L113 WeakPolarHBondContact O-CB 3.31Å; T109-L113 PolarHBondContact O-N 2.96Å; G110-L113 PolarHBondContact O-N 3.42Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.99Å; L113-V115 PolarHBondContact O-N 3.39Å; L113-S116 WeakPolarHBondContact CA-OG 3.33Å; L113-S116 PolarHBondContact O-N 2.93Å; L113-S116 PolarHBondContact O-OG 3.5Å; L113-G117 PolarHBondContact O-N 2.84Å |
| 114 | S | 93.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | F81 G110 E111 I112 G117 G118 | F81-S114 WeakPolarHBondContact CA-OG 3.28Å; G110-S114 VanDerWaalsContact O-CB 3.31Å; G110-S114 WeakPolarHBondContact O-CB 3.33Å; G110-S114 PolarHBondContact O-N 3.41Å; G110-S114 PolarHBondContact O-OG 3.43Å; E111-S114 PolarHBondContact O-N 3.1Å; E111-S114 VanDerWaalsContact O-N 3.17Å; I112-S114 VanDerWaalsContact C-N 3.33Å; I112-S114 PolarHBondContact O-N 2.83Å; S114-G117 PolarHBondContact O-N 3.31Å; S114-G118 PolarHBondContact O-N 2.89Å |
| 115 | V | 94.4 | Very high | 90.8 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 174.8 | 174 | 0 | 0 | 0 | 0 | 110.8 | E111 I112 L113 G117 G118 V119 M156 V160 | E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 3.4Å; I112-V115 PolarHBondContact O-N 3.23Å; L113-V115 PolarHBondContact O-N 3.39Å; V115-G117 VanDerWaalsContact C-N 3.29Å; V115-G117 PolarHBondContact O-N 3.21Å; V115-G118 PolarHBondContact O-N 2.9Å; V115-G118 VanDerWaalsContact O-N 3.1Å; V115-V119 HydrophobicContact CG1-CG2 4.35Å; V115-V119 WeakPolarHBondContact O-CG2 3.38Å; V115-V119 PolarHBondContact O-N 2.95Å; V115-M156 HydrophobicContact CG2-CE 4.22Å; V115-V160 HydrophobicContact CB-CG2 4.48Å; V115-V160 HydrophobicContact CG1-CG2 4.13Å; V115-V160 HydrophobicContact CG2-CG2 3.55Å |
| 116 | S | 94.4 | Very high | 90.8 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.8 | 75.5 | 0 | 0 | 0 | 0 | 112.1 | I112 L113 V119 Y120 | I112-S116 WeakPolarHBondContact O-CB 3.05Å; I112-S116 PolarHBondContact O-N 3.44Å; I112-S116 PolarHBondContact O-OG 3.27Å; L113-S116 WeakPolarHBondContact CA-OG 3.33Å; L113-S116 PolarHBondContact O-N 2.93Å; L113-S116 PolarHBondContact O-OG 3.5Å; S116-V119 PolarHBondContact O-N 3.21Å; S116-Y120 WeakPolarHBondContact O-CB 3.33Å; S116-Y120 PolarHBondContact O-N 3.35Å |
| 117 | G | 92.7 | Very high | 90.6 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L113 S114 V115 V119 Y120 F121 | L113-G117 PolarHBondContact O-N 2.84Å; S114-G117 PolarHBondContact O-N 3.31Å; V115-G117 VanDerWaalsContact C-N 3.29Å; V115-G117 PolarHBondContact O-N 3.21Å; G117-V119 PolarHBondContact O-N 3.49Å; G117-Y120 WeakPolarHBondContact O-CB 3.34Å; G117-Y120 PolarHBondContact O-N 3.04Å; G117-F121 WeakPolarHBondContact O-CD2 3.4Å; G117-F121 PolarHBondContact O-N 3.45Å |
| 118 | G | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S114 V115 F121 F122 | S114-G118 PolarHBondContact O-N 2.89Å; V115-G118 PolarHBondContact O-N 2.9Å; V115-G118 VanDerWaalsContact O-N 3.1Å; G118-F121 PolarHBondContact O-N 3.48Å; G118-F122 WeakPolarHBondContact O-CB 3.42Å; G118-F122 PolarHBondContact O-N 2.77Å |
| 119 | V | 95.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V115 S116 G117 F122 F123 L157 | V115-V119 HydrophobicContact CG1-CG2 4.35Å; V115-V119 WeakPolarHBondContact O-CG2 3.38Å; V115-V119 PolarHBondContact O-N 2.95Å; S116-V119 PolarHBondContact O-N 3.21Å; G117-V119 PolarHBondContact O-N 3.49Å; V119-F122 WeakPolarHBondContact O-CB 3.46Å; V119-F122 PolarHBondContact O-N 3.4Å; V119-F123 HydrophobicContact CG1-CD2 3.57Å; V119-F123 HydrophobicContact CG1-CE2 3.34Å; V119-F123 WeakPolarHBondContact O-CD2 3.39Å; V119-F123 PolarHBondContact O-N 3.29Å; V119-L157 HydrophobicContact CG2-CD2 3.9Å |
| 120 | Y | 92.6 | Very high | 89 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 55% | 0.549 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | 175.5 | 170.2 | -101 | 0 | 0 | 0 | 112.2 | S116 G117 F122 F123 R124 | S116-Y120 WeakPolarHBondContact O-CB 3.33Å; S116-Y120 PolarHBondContact O-N 3.35Å; G117-Y120 WeakPolarHBondContact O-CB 3.34Å; G117-Y120 PolarHBondContact O-N 3.04Å; Y120-F122 VanDerWaalsContact C-N 3.29Å; Y120-F122 PolarHBondContact O-N 2.86Å; Y120-F123 PolarHBondContact O-N 2.99Å; Y120-R124 WeakPolarHBondContact O-CB 3.41Å; Y120-R124 PolarHBondContact O-N 3.47Å |
| 121 | F | 92.1 | Very high | 88 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 177.5 | -74.5 | -59.1 | 0 | 0 | 0 | 112.5 | Y74 Y77 G117 G118 G125 | Y74-F121 HydrophobicContact CD2-CE2 4.14Å; Y74-F121 AromaticContact CD2-CZ 3.7Å; Y74-F121 HydrophobicContact CD2-CZ 3.7Å; Y74-F121 HydrophobicContact CE2-CE2 4.01Å; Y74-F121 AromaticContact CE2-CZ 3.88Å; Y74-F121 HydrophobicContact CE2-CZ 3.88Å; Y77-F121 HydrophobicContact CD1-CE2 4.2Å; Y77-F121 HydrophobicContact CE1-CE2 4.06Å; G117-F121 WeakPolarHBondContact O-CD2 3.4Å; G117-F121 PolarHBondContact O-N 3.45Å; G118-F121 PolarHBondContact O-N 3.48Å; F121-G125 PolarHBondContact O-N 3.18Å |
| 122 | F | 93.3 | Very high | 86.8 | Confident | 50 Ų | 50 | 67 Ų | 67 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -49.6 | 175.9 | -175.7 | -108.3 | 0 | 0 | 0 | 112 | G118 V119 Y120 R124 G125 I126 F150 S153 L154 L157 | G118-F122 WeakPolarHBondContact O-CB 3.42Å; G118-F122 PolarHBondContact O-N 2.77Å; V119-F122 WeakPolarHBondContact O-CB 3.46Å; V119-F122 PolarHBondContact O-N 3.4Å; Y120-F122 VanDerWaalsContact C-N 3.29Å; Y120-F122 PolarHBondContact O-N 2.86Å; F122-R124 PolarHBondContact O-N 3.49Å; F122-G125 PolarHBondContact O-N 3.47Å; F122-I126 HydrophobicContact CD1-CD1 3.65Å; F122-I126 HydrophobicContact CE1-CD1 3.24Å; F122-I126 HydrophobicContact CE1-CG1 4.36Å; F122-I126 HydrophobicContact CE2-CD1 4.28Å; F122-I126 HydrophobicContact CG-CD1 4.34Å; F122-I126 HydrophobicContact CZ-CD1 3.6Å; F122-I126 HydrophobicContact CZ-CG1 4.41Å; F122-I126 WeakPolarHBondContact O-CG1 3.06Å; F122-I126 PolarHBondContact O-N 3.41Å; F122-F150 HydrophobicContact CD2-CD2 4.26Å; F122-F150 AromaticContact CD2-CE2 3.65Å; F122-F150 HydrophobicContact CD2-CE2 3.65Å; F122-F150 HydrophobicContact CD2-CZ 4.37Å; F122-F150 AromaticContact CE2-CE2 3.66Å; F122-F150 HydrophobicContact CE2-CE2 3.66Å; F122-F150 AromaticContact CE2-CZ 3.97Å; F122-F150 HydrophobicContact CE2-CZ 3.97Å; F122-S153 WeakPolarHBondContact CA-OG 3.46Å; F122-L154 HydrophobicContact CE2-CD1 4.48Å; F122-L157 HydrophobicContact CB-CD1 3.83Å; F122-L157 HydrophobicContact CD1-CD1 3.69Å; F122-L157 HydrophobicContact CD2-CD1 3.52Å; F122-L157 HydrophobicContact CE1-CD1 4.03Å; F122-L157 HydrophobicContact CE2-CD1 3.9Å; F122-L157 HydrophobicContact CG-CD1 3.4Å; F122-L157 VanDerWaalsContact CG-CD1 3.4Å; F122-L157 HydrophobicContact CZ-CD1 4.13Å |
| 123 | F | 90 | Very high | 85.3 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 176.4 | -76.9 | -62.5 | 0 | 0 | 0 | 112.3 | V119 Y120 G125 I126 Q127 | V119-F123 HydrophobicContact CG1-CD2 3.57Å; V119-F123 HydrophobicContact CG1-CE2 3.34Å; V119-F123 WeakPolarHBondContact O-CD2 3.39Å; V119-F123 PolarHBondContact O-N 3.29Å; Y120-F123 PolarHBondContact O-N 2.99Å; F123-G125 VanDerWaalsContact C-N 3.3Å; F123-G125 PolarHBondContact O-N 3.45Å; F123-I126 PolarHBondContact O-N 2.82Å; F123-Q127 WeakPolarHBondContact O-CB 3.44Å; F123-Q127 PolarHBondContact O-N 2.97Å |
| 124 | R | 85 | Confident | 83.4 | Confident | 78 Ų | 78 | 71 Ų | 71 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.4 | -179.9 | -178.5 | 157.9 | -172.7 | -7.9 | 111 | Y120 F122 Q127 Y128 E146 | Y120-R124 WeakPolarHBondContact O-CB 3.41Å; Y120-R124 PolarHBondContact O-N 3.47Å; F122-R124 PolarHBondContact O-N 3.49Å; R124-Q127 PolarHBondContact O-N 2.82Å; R124-Y128 WeakPolarHBondContact O-CB 3.42Å; R124-Y128 PolarHBondContact O-N 3.28Å; R124-E146 IonicContact NE-OE2 3.16Å; R124-E146 IonicContact NH2-OE1 3.15Å; R124-E146 PolarHBondContact NH2-OE1 3.22Å; R124-E146 IonicContact NH2-OE2 3.47Å; R124-E146 PolarHBondContact NH2-OE2 2.89Å |
| 125 | G | 85.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 74.6 Ų | 74.6 | 5% | 0.052 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F121 F122 F123 Q127 Y128 F129 | F121-G125 PolarHBondContact O-N 3.18Å; F122-G125 PolarHBondContact O-N 3.47Å; F123-G125 VanDerWaalsContact C-N 3.3Å; F123-G125 PolarHBondContact O-N 3.45Å; G125-Q127 PolarHBondContact O-N 2.71Å; G125-Y128 WeakPolarHBondContact O-CB 3.41Å; G125-Y128 PolarHBondContact O-N 2.95Å; G125-F129 WeakPolarHBondContact O-CD2 3.45Å; G125-F129 PolarHBondContact O-N 2.87Å |
| 126 | I | 85.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 29% | 0.292 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.5 | -70.1 | 169.6 | 0 | 0 | 0 | 111 | F122 F123 Y128 F129 L130 F150 | F122-I126 HydrophobicContact CD1-CD1 3.65Å; F122-I126 HydrophobicContact CE1-CD1 3.24Å; F122-I126 HydrophobicContact CE1-CG1 4.36Å; F122-I126 HydrophobicContact CE2-CD1 4.28Å; F122-I126 HydrophobicContact CG-CD1 4.34Å; F122-I126 HydrophobicContact CZ-CD1 3.6Å; F122-I126 HydrophobicContact CZ-CG1 4.41Å; F122-I126 WeakPolarHBondContact O-CG1 3.06Å; F122-I126 PolarHBondContact O-N 3.41Å; F123-I126 PolarHBondContact O-N 2.82Å; I126-Y128 VanDerWaalsContact C-N 3.25Å; I126-Y128 PolarHBondContact O-N 3.43Å; I126-F129 PolarHBondContact O-N 3.5Å; I126-L130 HydrophobicContact CG2-CD1 3.66Å; I126-L130 HydrophobicContact CG2-CG 4.14Å; I126-L130 WeakPolarHBondContact O-CB 3.37Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.35Å; I126-L130 PolarHBondContact O-N 2.87Å; I126-F150 HydrophobicContact CG1-CE2 4.17Å |
| 127 | Q | 83.3 | Confident | 77.8 | Confident | 114 Ų | 114 | 84.6 Ų | 84.6 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 177.4 | -177.6 | 179.5 | -21.4 | 0 | 0 | 111.2 | F123 R124 G125 L130 Q131 | F123-Q127 WeakPolarHBondContact O-CB 3.44Å; F123-Q127 PolarHBondContact O-N 2.97Å; R124-Q127 PolarHBondContact O-N 2.82Å; G125-Q127 PolarHBondContact O-N 2.71Å; Q127-L130 PolarHBondContact O-N 3.11Å; Q127-Q131 WeakPolarHBondContact O-CB 3.45Å; Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.29Å; Q127-Q131 PolarHBondContact O-N 3.01Å |
| 128 | Y | 77.4 | Confident | 76.2 | Confident | 32 Ų | 32 | 86.4 Ų | 86.4 | 13% | 0.125 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 175.6 | -178.7 | -97.4 | 0 | 0 | 0 | 112.3 | R124 G125 I126 R132 S143 E146 | R124-Y128 WeakPolarHBondContact O-CB 3.42Å; R124-Y128 PolarHBondContact O-N 3.28Å; G125-Y128 WeakPolarHBondContact O-CB 3.41Å; G125-Y128 PolarHBondContact O-N 2.95Å; I126-Y128 VanDerWaalsContact C-N 3.25Å; I126-Y128 PolarHBondContact O-N 3.43Å; Y128-R132 WeakPolarHBondContact O-CB 3.31Å; Y128-R132 PolarHBondContact O-N 2.86Å; Y128-R132 PolarHBondContact OH-NH1 3.33Å; Y128-S143 VanDerWaalsContact OH-CB 3.26Å; Y128-S143 WeakPolarHBondContact OH-CB 3.43Å; Y128-S143 PolarHBondContact OH-OG 3.28Å; Y128-E146 HydrophobicContact CD1-CB 4.13Å; Y128-E146 HydrophobicContact CD2-CG 4.49Å; Y128-E146 HydrophobicContact CE1-CB 3.88Å; Y128-E146 HydrophobicContact CE1-CG 4.24Å; Y128-E146 HydrophobicContact CE2-CG 4.12Å |
| 129 | F | 77.6 | Confident | 74.5 | Confident | 55 Ų | 55 | 87.2 Ų | 87.2 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 177.9 | -80 | -68.3 | 0 | 0 | 0 | 112.8 | G125 I126 R132 R133 P134 L139 I147 F150 | G125-F129 WeakPolarHBondContact O-CD2 3.45Å; G125-F129 PolarHBondContact O-N 2.87Å; I126-F129 PolarHBondContact O-N 3.5Å; F129-R132 PolarHBondContact O-N 3.49Å; F129-R133 PolarHBondContact O-N 3.33Å; F129-R133 VanDerWaalsContact O-N 3.14Å; F129-P134 HydrophobicContact CD1-CG 4.34Å; F129-L139 HydrophobicContact CE1-CD1 3.97Å; F129-L139 HydrophobicContact CE1-CD2 4.09Å; F129-I147 HydrophobicContact CZ-CG1 4.19Å; F129-F150 HydrophobicContact CD2-CG 4.49Å; F129-F150 HydrophobicContact CE2-CB 4.11Å; F129-F150 AromaticContact CE2-CD1 3.71Å; F129-F150 HydrophobicContact CE2-CD1 3.71Å; F129-F150 HydrophobicContact CE2-CD2 4.26Å; F129-F150 HydrophobicContact CE2-CE1 4.16Å; F129-F150 AromaticContact CE2-CG 3.75Å; F129-F150 HydrophobicContact CE2-CG 3.75Å; F129-F150 HydrophobicContact CZ-CD1 4.41Å |
| 130 | L | 75.2 | Confident | 72.8 | Confident | 130 Ų | 130 | 90.1 Ų | 90.1 | 68% | 0.681 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 179.2 | -73.9 | 173.4 | 0 | 0 | 0 | 112.2 | I126 Q127 R132 | I126-L130 HydrophobicContact CG2-CD1 3.66Å; I126-L130 HydrophobicContact CG2-CG 4.14Å; I126-L130 WeakPolarHBondContact O-CB 3.37Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.35Å; I126-L130 PolarHBondContact O-N 2.87Å; Q127-L130 PolarHBondContact O-N 3.11Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.87Å |
| 131 | Q | 69.2 | Low | 71.3 | Confident | 143 Ų | 143 | 88.4 Ų | 88.4 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69 | -31.1 | -179.8 | -74.3 | -177.1 | 5.4 | 0 | 0 | 113 | Q127 | Q127-Q131 WeakPolarHBondContact O-CB 3.45Å; Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.29Å; Q127-Q131 PolarHBondContact O-N 3.01Å |
| 132 | R | 65.8 | Low | 69.8 | Low | 86 Ų | 86 | 90 Ų | 90 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -105.8 | -7.2 | -167.8 | -147.6 | 167.8 | 179.5 | 160.7 | 2.2 | 114.8 | Y128 F129 L130 P134 D340 | Y128-R132 WeakPolarHBondContact O-CB 3.31Å; Y128-R132 PolarHBondContact O-N 2.86Å; Y128-R132 PolarHBondContact OH-NH1 3.33Å; F129-R132 PolarHBondContact O-N 3.49Å; L130-R132 VanDerWaalsContact C-N 3.33Å; L130-R132 PolarHBondContact O-N 2.87Å; R132-P134 HydrophobicContact CB-CG 4.36Å; R132-P134 VanDerWaalsContact O-N 3.16Å; R132-D340 IonicContact NH1-OD2 3.57Å |
| 133 | R | 59.7 | Low | 68.7 | Low | 233 Ų | 233 | 87.9 Ų | 87.9 | 88% | 0.879 | 42% | 0.422 | S | S | * | . | trans | 25.8 | 70.6 | 177.6 | -91.1 | -86.3 | -154.8 | 171 | 5.1 | 112 | F129 | F129-R133 PolarHBondContact O-N 3.33Å; F129-R133 VanDerWaalsContact O-N 3.14Å | ||
| 134 | P | 55.4 | Low | 68.1 | Low | 45 Ų | 45 | 85 Ų | 85 | 29% | 0.292 | 41% | 0.409 | S | S | . | . | trans | -88.8 | 155.5 | -159.1 | -10.6 | 29.2 | 0 | 0 | 0 | 113.4 | F129 R132 L139 | F129-P134 HydrophobicContact CD1-CG 4.34Å; R132-P134 HydrophobicContact CB-CG 4.36Å; R132-P134 VanDerWaalsContact O-N 3.16Å; P134-L139 HydrophobicContact CB-CD1 3.47Å; P134-L139 VanDerWaalsContact CB-CD1 3.47Å; P134-L139 HydrophobicContact CB-CD2 3.66Å; P134-L139 HydrophobicContact CB-CG 3.26Å; P134-L139 HydrophobicContact CG-CD1 3.73Å; P134-L139 HydrophobicContact CG-CD2 3.64Å; P134-L139 HydrophobicContact CG-CG 3.75Å | ||
| 135 | S | 55.1 | Low | 67.8 | Low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 40% | 0.399 | S | S | . | . | trans | -84.6 | 140.2 | 159.6 | 66.5 | 0 | 0 | 0 | 0 | 109.7 | K137 S138 L139 | S135-K137 PolarHBondContact O-N 3.46Å; S135-K137 VanDerWaalsContact O-N 3.12Å; S135-S138 PolarHBondContact O-N 3.4Å; S135-S138 PolarHBondContact O-OG 3.23Å; S135-S138 PolarHBondContact OG-OG 2.92Å; S135-S138 VanDerWaalsContact OG-OG 3.14Å; S135-L139 PolarHBondContact O-N 2.9Å | ||
| 136 | L | 53.6 | Low | 67.6 | Low | 132 Ų | 132 | 82.8 Ų | 82.8 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -51.6 | -39 | -175.1 | -74.8 | 172 | 0 | 0 | 0 | 113.4 | S138 L139 F140 | L136-S138 PolarHBondContact O-N 2.69Å; L136-L139 PolarHBondContact O-N 3.12Å; L136-F140 WeakPolarHBondContact O-CD2 3.3Å; L136-F140 PolarHBondContact O-N 2.87Å |
| 137 | K | 56.2 | Low | 67.6 | Low | 186 Ų | 186 | 81.3 Ų | 81.3 | 81% | 0.809 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.7 | -36.5 | 179.4 | -67.6 | -172.8 | 177.3 | -176.7 | 0 | 113.3 | S135 | S135-K137 PolarHBondContact O-N 3.46Å; S135-K137 VanDerWaalsContact O-N 3.12Å |
| 138 | S | 58.7 | Low | 67.8 | Low | 50 Ų | 50 | 77.4 Ų | 77.4 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.2 | -29.5 | 178.6 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | S135 L136 D142 | S135-S138 PolarHBondContact O-N 3.4Å; S135-S138 PolarHBondContact O-OG 3.23Å; S135-S138 PolarHBondContact OG-OG 2.92Å; S135-S138 VanDerWaalsContact OG-OG 3.14Å; L136-S138 PolarHBondContact O-N 2.69Å; S138-D142 PolarHBondContact O-N 3.44Å; S138-D142 VanDerWaalsContact O-N 3.14Å |
| 139 | L | 58.1 | Low | 68.4 | Low | 16 Ų | 16 | 76.2 Ų | 76.2 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -47.3 | 178.1 | -87.8 | 174.5 | 0 | 0 | 0 | 113.1 | F129 P134 S135 L136 V141 S143 Y144 I147 | F129-L139 HydrophobicContact CE1-CD1 3.97Å; F129-L139 HydrophobicContact CE1-CD2 4.09Å; P134-L139 HydrophobicContact CB-CD1 3.47Å; P134-L139 VanDerWaalsContact CB-CD1 3.47Å; P134-L139 HydrophobicContact CB-CD2 3.66Å; P134-L139 HydrophobicContact CB-CG 3.26Å; P134-L139 HydrophobicContact CG-CD1 3.73Å; P134-L139 HydrophobicContact CG-CD2 3.64Å; P134-L139 HydrophobicContact CG-CG 3.75Å; S135-L139 PolarHBondContact O-N 2.9Å; L136-L139 PolarHBondContact O-N 3.12Å; L139-V141 VanDerWaalsContact C-N 3.33Å; L139-V141 PolarHBondContact O-N 2.88Å; L139-S143 CarbonylContact O-C 3.57Å; L139-S143 VanDerWaalsContact O-C 3.29Å; L139-S143 WeakPolarHBondContact O-CA 3.47Å; L139-S143 PolarHBondContact O-N 3.13Å; L139-Y144 PolarHBondContact O-N 3Å; L139-I147 HydrophobicContact CB-CD1 3.92Å; L139-I147 HydrophobicContact CD2-CD1 4.32Å |
| 140 | F | 59.3 | Low | 69.1 | Low | 113 Ų | 113 | 75.7 Ų | 75.7 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.8 | -30.9 | -177.2 | -88.5 | -79.7 | 0 | 0 | 0 | 113.1 | L136 | L136-F140 WeakPolarHBondContact O-CD2 3.3Å; L136-F140 PolarHBondContact O-N 2.87Å |
| 141 | V | 60.3 | Low | 69.9 | Low | 103 Ų | 103 | 71.6 Ų | 71.6 | 62% | 0.624 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -90.9 | -38.8 | -175.4 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | L139 | L139-V141 VanDerWaalsContact C-N 3.33Å; L139-V141 PolarHBondContact O-N 2.88Å |
| 142 | D | 61.7 | Low | 71.1 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.283 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -108.2 | -10.1 | -172.7 | -70.1 | -24.9 | 0 | 0 | 0 | 113.7 | R42 S138 | R42-D142 IonicContact CZ-OD1 3.35Å; R42-D142 IonicContact CZ-OD2 3.86Å; R42-D142 VanDerWaalsContact NH1-CG 3.26Å; R42-D142 IonicContact NH1-OD1 2.99Å; R42-D142 PolarHBondContact NH1-OD1 3.14Å; R42-D142 IonicContact NH1-OD2 2.81Å; R42-D142 PolarHBondContact NH1-OD2 3.46Å; R42-D142 IonicContact NH2-OD1 2.79Å; R42-D142 PolarHBondContact NH2-OD1 3.47Å; R42-D142 IonicContact NH2-OD2 3.98Å; S138-D142 PolarHBondContact O-N 3.44Å; S138-D142 VanDerWaalsContact O-N 3.14Å |
| 143 | S | 69.3 | Low | 72.5 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -141.6 | 19.6 | -170.9 | -58.6 | 0 | 0 | 0 | 0 | 115.2 | Y128 L139 S145 E146 I147 | Y128-S143 VanDerWaalsContact OH-CB 3.26Å; Y128-S143 WeakPolarHBondContact OH-CB 3.43Å; Y128-S143 PolarHBondContact OH-OG 3.28Å; L139-S143 CarbonylContact O-C 3.57Å; L139-S143 VanDerWaalsContact O-C 3.29Å; L139-S143 WeakPolarHBondContact O-CA 3.47Å; L139-S143 PolarHBondContact O-N 3.13Å; S143-S145 VanDerWaalsContact C-N 3.28Å; S143-S145 PolarHBondContact O-N 3.34Å; S143-E146 PolarHBondContact O-N 3.02Å; S143-E146 VanDerWaalsContact O-N 3.14Å; S143-I147 PolarHBondContact O-N 2.93Å | ||
| 144 | Y | 77.8 | Confident | 74.2 | Confident | 73 Ų | 73 | 53.3 Ų | 53.3 | 29% | 0.286 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.8 | -39.5 | -177.7 | 173.6 | -108.9 | 0 | 0 | 0 | 113.7 | L139 E146 I147 L148 | L139-Y144 PolarHBondContact O-N 3Å; Y144-E146 VanDerWaalsContact C-N 3.34Å; Y144-E146 PolarHBondContact O-N 3.24Å; Y144-I147 WeakPolarHBondContact O-CB 3.34Å; Y144-I147 PolarHBondContact O-N 3.35Å; Y144-I147 VanDerWaalsContact O-N 3.11Å; Y144-L148 HydrophobicContact CD1-CD1 3.89Å; Y144-L148 HydrophobicContact CD1-CG 4.2Å; Y144-L148 HydrophobicContact CD2-CG 4.4Å; Y144-L148 HydrophobicContact CE1-CD1 3.21Å; Y144-L148 HydrophobicContact CE1-CD2 4.29Å; Y144-L148 HydrophobicContact CE1-CG 3.7Å; Y144-L148 HydrophobicContact CE2-CD1 4.33Å; Y144-L148 HydrophobicContact CE2-CD2 3.96Å; Y144-L148 HydrophobicContact CE2-CG 3.91Å; Y144-L148 VanDerWaalsContact CZ-CD1 3.48Å; Y144-L148 PolarHBondContact O-N 2.97Å; Y144-L148 WeakPolarHBondContact OH-CD2 3.38Å |
| 145 | S | 78.3 | Confident | 76 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | S143 I147 L148 F149 Y187 R190 | S143-S145 VanDerWaalsContact C-N 3.28Å; S143-S145 PolarHBondContact O-N 3.34Å; S145-I147 VanDerWaalsContact C-N 3.33Å; S145-L148 PolarHBondContact O-N 3Å; S145-F149 WeakPolarHBondContact O-CD2 3.36Å; S145-F149 PolarHBondContact O-N 3.46Å; S145-F149 VanDerWaalsContact O-N 3.11Å; S145-Y187 VanDerWaalsContact CB-CD2 3.43Å; S145-Y187 WeakPolarHBondContact OG-CD2 3.3Å; S145-Y187 WeakPolarHBondContact OG-CE2 3.32Å; S145-R190 PolarHBondContact OG-NH1 3.05Å; S145-R190 VanDerWaalsContact OG-NH1 3.15Å |
| 146 | E | 81.6 | Confident | 77.9 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70 | -33.3 | 176.8 | -64.5 | -67.8 | 154.5 | 0 | 0 | 111.2 | R124 Y128 S143 Y144 F149 F150 | R124-E146 IonicContact NE-OE2 3.16Å; R124-E146 IonicContact NH2-OE1 3.15Å; R124-E146 PolarHBondContact NH2-OE1 3.22Å; R124-E146 IonicContact NH2-OE2 3.47Å; R124-E146 PolarHBondContact NH2-OE2 2.89Å; Y128-E146 HydrophobicContact CD1-CB 4.13Å; Y128-E146 HydrophobicContact CD2-CG 4.49Å; Y128-E146 HydrophobicContact CE1-CB 3.88Å; Y128-E146 HydrophobicContact CE1-CG 4.24Å; Y128-E146 HydrophobicContact CE2-CG 4.12Å; S143-E146 PolarHBondContact O-N 3.02Å; S143-E146 VanDerWaalsContact O-N 3.14Å; Y144-E146 VanDerWaalsContact C-N 3.34Å; Y144-E146 PolarHBondContact O-N 3.24Å; E146-F149 PolarHBondContact O-N 3.33Å; E146-F150 PolarHBondContact O-N 3.07Å |
| 147 | I | 85.3 | Confident | 79.8 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.138 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 172.9 | -57.5 | 170.4 | 0 | 0 | 0 | 110 | F129 L139 S143 Y144 S145 F149 F150 V151 | F129-I147 HydrophobicContact CZ-CG1 4.19Å; L139-I147 HydrophobicContact CB-CD1 3.92Å; L139-I147 HydrophobicContact CD2-CD1 4.32Å; S143-I147 PolarHBondContact O-N 2.93Å; Y144-I147 WeakPolarHBondContact O-CB 3.34Å; Y144-I147 PolarHBondContact O-N 3.35Å; Y144-I147 VanDerWaalsContact O-N 3.11Å; S145-I147 VanDerWaalsContact C-N 3.33Å; I147-F149 PolarHBondContact O-N 3.29Å; I147-F150 WeakPolarHBondContact O-CB 3.43Å; I147-F150 PolarHBondContact O-N 3.16Å; I147-V151 HydrophobicContact CG2-CG2 4.07Å; I147-V151 WeakPolarHBondContact O-CB 3.44Å; I147-V151 VanDerWaalsContact O-CG2 3.28Å; I147-V151 WeakPolarHBondContact O-CG2 3.2Å; I147-V151 PolarHBondContact O-N 2.96Å |
| 148 | L | 87.9 | Confident | 81.7 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 177.7 | -75.9 | -176.8 | 0 | 0 | 0 | 113.2 | Y144 S145 F150 V151 Q152 N184 | Y144-L148 HydrophobicContact CD1-CD1 3.89Å; Y144-L148 HydrophobicContact CD1-CG 4.2Å; Y144-L148 HydrophobicContact CD2-CG 4.4Å; Y144-L148 HydrophobicContact CE1-CD1 3.21Å; Y144-L148 HydrophobicContact CE1-CD2 4.29Å; Y144-L148 HydrophobicContact CE1-CG 3.7Å; Y144-L148 HydrophobicContact CE2-CD1 4.33Å; Y144-L148 HydrophobicContact CE2-CD2 3.96Å; Y144-L148 HydrophobicContact CE2-CG 3.91Å; Y144-L148 VanDerWaalsContact CZ-CD1 3.48Å; Y144-L148 PolarHBondContact O-N 2.97Å; Y144-L148 WeakPolarHBondContact OH-CD2 3.38Å; S145-L148 PolarHBondContact O-N 3Å; L148-F150 VanDerWaalsContact C-N 3.33Å; L148-V151 PolarHBondContact O-N 3.33Å; L148-Q152 VanDerWaalsContact O-CB 3.31Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 PolarHBondContact O-N 3.37Å; L148-N184 VanDerWaalsContact CB-OD1 3.23Å; L148-N184 WeakPolarHBondContact CB-OD1 3.46Å; L148-N184 PolarHBondContact O-ND2 3.18Å |
| 149 | F | 90.7 | Very high | 83.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 172 | -77.4 | -68.4 | 0 | 0 | 0 | 111.6 | Y74 S145 E146 I147 S153 N184 Y187 Y188 | Y74-F149 HydrophobicContact CD2-CE1 4.41Å; Y74-F149 HydrophobicContact CE1-CE1 4.26Å; Y74-F149 HydrophobicContact CE2-CD1 4.37Å; Y74-F149 AromaticContact CE2-CE1 3.73Å; Y74-F149 HydrophobicContact CE2-CE1 3.73Å; Y74-F149 AromaticContact CZ-CE1 3.63Å; S145-F149 WeakPolarHBondContact O-CD2 3.36Å; S145-F149 PolarHBondContact O-N 3.46Å; S145-F149 VanDerWaalsContact O-N 3.11Å; E146-F149 PolarHBondContact O-N 3.33Å; I147-F149 PolarHBondContact O-N 3.29Å; F149-S153 PolarHBondContact O-N 3.42Å; F149-N184 HydrophobicContact CD1-CB 4.11Å; F149-N184 HydrophobicContact CE1-CB 3.65Å; F149-N184 HydrophobicContact CZ-CB 3.93Å; F149-Y187 AromaticContact CE2-CD1 3.93Å; F149-Y187 HydrophobicContact CE2-CD1 3.93Å; F149-Y187 HydrophobicContact CE2-CD2 4.44Å; F149-Y187 AromaticContact CE2-CG 3.86Å; F149-Y187 HydrophobicContact CE2-CG 3.86Å; F149-Y187 HydrophobicContact CZ-CD1 4.16Å; F149-Y187 HydrophobicContact CZ-CG 4.3Å; F149-Y188 HydrophobicContact CZ-CE2 4.15Å |
| 150 | F | 91.7 | Very high | 84.9 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 19% | 0.193 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 176.4 | 179.9 | -107.2 | 0 | 0 | 0 | 112.3 | F122 I126 F129 E146 I147 L148 Q152 S153 L154 | F122-F150 HydrophobicContact CD2-CD2 4.26Å; F122-F150 AromaticContact CD2-CE2 3.65Å; F122-F150 HydrophobicContact CD2-CE2 3.65Å; F122-F150 HydrophobicContact CD2-CZ 4.37Å; F122-F150 AromaticContact CE2-CE2 3.66Å; F122-F150 HydrophobicContact CE2-CE2 3.66Å; F122-F150 AromaticContact CE2-CZ 3.97Å; F122-F150 HydrophobicContact CE2-CZ 3.97Å; I126-F150 HydrophobicContact CG1-CE2 4.17Å; F129-F150 HydrophobicContact CD2-CG 4.49Å; F129-F150 HydrophobicContact CE2-CB 4.11Å; F129-F150 AromaticContact CE2-CD1 3.71Å; F129-F150 HydrophobicContact CE2-CD1 3.71Å; F129-F150 HydrophobicContact CE2-CD2 4.26Å; F129-F150 HydrophobicContact CE2-CE1 4.16Å; F129-F150 AromaticContact CE2-CG 3.75Å; F129-F150 HydrophobicContact CE2-CG 3.75Å; F129-F150 HydrophobicContact CZ-CD1 4.41Å; E146-F150 PolarHBondContact O-N 3.07Å; I147-F150 WeakPolarHBondContact O-CB 3.43Å; I147-F150 PolarHBondContact O-N 3.16Å; L148-F150 VanDerWaalsContact C-N 3.33Å; F150-Q152 PolarHBondContact O-N 2.94Å; F150-S153 PolarHBondContact O-N 3.35Å; F150-S153 PolarHBondContact O-OG 2.76Å; F150-L154 PolarHBondContact O-N 2.91Å |
| 151 | V | 92.5 | Very high | 86.5 | Confident | 43 Ų | 43 | 38.6 Ų | 38.6 | 26% | 0.261 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110.7 | I147 L148 S153 L154 F155 M180 | I147-V151 HydrophobicContact CG2-CG2 4.07Å; I147-V151 WeakPolarHBondContact O-CB 3.44Å; I147-V151 VanDerWaalsContact O-CG2 3.28Å; I147-V151 WeakPolarHBondContact O-CG2 3.2Å; I147-V151 PolarHBondContact O-N 2.96Å; L148-V151 PolarHBondContact O-N 3.33Å; V151-S153 VanDerWaalsContact C-N 3.32Å; V151-S153 PolarHBondContact O-N 2.89Å; V151-L154 WeakPolarHBondContact O-CB 3.49Å; V151-L154 PolarHBondContact O-N 3.28Å; V151-F155 HydrophobicContact CG1-CD2 3.74Å; V151-F155 HydrophobicContact CG1-CE2 3.57Å; V151-F155 VanDerWaalsContact O-CD2 3.28Å; V151-F155 WeakPolarHBondContact O-CD2 3.46Å; V151-F155 PolarHBondContact O-N 2.91Å; V151-M180 HydrophobicContact CG1-SD 3.85Å |
| 152 | Q | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 173.7 | 178.2 | -89.8 | -27.4 | 0 | 0 | 111.8 | Y77 L148 F150 L154 F155 M156 S177 M180 | Y77-Q152 PolarHBondContact OH-NE2 3.2Å; L148-Q152 VanDerWaalsContact O-CB 3.31Å; L148-Q152 WeakPolarHBondContact O-CB 3.32Å; L148-Q152 PolarHBondContact O-N 3.37Å; F150-Q152 PolarHBondContact O-N 2.94Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.08Å; Q152-F155 PolarHBondContact O-N 3.5Å; Q152-M156 PolarHBondContact O-N 3.05Å; Q152-M156 VanDerWaalsContact O-N 3.1Å; Q152-S177 WeakPolarHBondContact CG-O 3.18Å; Q152-M180 HydrophobicContact CB-CB 4.16Å; Q152-M180 HydrophobicContact CG-CB 4.3Å |
| 153 | S | 94.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -36.2 | 176.9 | 75.1 | 0 | 0 | 0 | 0 | 112.7 | F122 F149 F150 V151 M156 L157 | F122-S153 WeakPolarHBondContact CA-OG 3.46Å; F149-S153 PolarHBondContact O-N 3.42Å; F150-S153 PolarHBondContact O-N 3.35Å; F150-S153 PolarHBondContact O-OG 2.76Å; V151-S153 VanDerWaalsContact C-N 3.32Å; V151-S153 PolarHBondContact O-N 2.89Å; S153-M156 WeakPolarHBondContact O-CB 3.34Å; S153-M156 PolarHBondContact O-N 2.93Å; S153-L157 WeakPolarHBondContact O-CG 3.41Å; S153-L157 PolarHBondContact O-N 3.14Å |
| 154 | L | 94.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 41.7 Ų | 41.7 | 41% | 0.408 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 176.6 | -178.5 | 65.7 | 0 | 0 | 0 | 111.4 | F122 F150 V151 Q152 M156 L157 V158 | F122-L154 HydrophobicContact CE2-CD1 4.48Å; F150-L154 PolarHBondContact O-N 2.91Å; V151-L154 WeakPolarHBondContact O-CB 3.49Å; V151-L154 PolarHBondContact O-N 3.28Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.08Å; L154-M156 PolarHBondContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L154-V158 WeakPolarHBondContact O-CG2 3.43Å; L154-V158 PolarHBondContact O-N 3.27Å |
| 155 | F | 95.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.32 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.4 | -32.6 | 176 | -80.6 | -72.8 | 0 | 0 | 0 | 112.7 | V151 Q152 S159 S173 M180 | V151-F155 HydrophobicContact CG1-CD2 3.74Å; V151-F155 HydrophobicContact CG1-CE2 3.57Å; V151-F155 VanDerWaalsContact O-CD2 3.28Å; V151-F155 WeakPolarHBondContact O-CD2 3.46Å; V151-F155 PolarHBondContact O-N 2.91Å; Q152-F155 PolarHBondContact O-N 3.5Å; F155-S159 PolarHBondContact O-N 3.43Å; F155-S173 PolarHBondContact O-OG 2.74Å; F155-M180 HydrophobicContact CB-CE 4.34Å; F155-M180 HydrophobicContact CD2-CE 3.18Å; F155-M180 HydrophobicContact CD2-SD 4.05Å; F155-M180 HydrophobicContact CE2-CE 3.49Å; F155-M180 VanDerWaalsContact CE2-CE 3.49Å; F155-M180 HydrophobicContact CE2-SD 4.15Å; F155-M180 HydrophobicContact CG-CE 3.84Å; F155-M180 HydrophobicContact CZ-CE 4.34Å |
| 156 | M | 94.2 | Very high | 91 | Very high | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 172.9 | -172.5 | 62.8 | 172.4 | 0 | 0 | 112.4 | F81 V115 Q152 S153 L154 S159 V160 | F81-M156 HydrophobicContact CD2-CE 3.97Å; F81-M156 HydrophobicContact CD2-SD 4.49Å; F81-M156 HydrophobicContact CE1-SD 4.43Å; F81-M156 HydrophobicContact CE2-CE 3.55Å; F81-M156 HydrophobicContact CE2-SD 3.6Å; F81-M156 HydrophobicContact CZ-CE 4.13Å; F81-M156 HydrophobicContact CZ-SD 3.58Å; F81-M156 VanDerWaalsContact CZ-SD 3.58Å; V115-M156 HydrophobicContact CG2-CE 4.22Å; Q152-M156 PolarHBondContact O-N 3.05Å; Q152-M156 VanDerWaalsContact O-N 3.1Å; S153-M156 WeakPolarHBondContact O-CB 3.34Å; S153-M156 PolarHBondContact O-N 2.93Å; L154-M156 PolarHBondContact O-N 3.12Å; M156-S159 PolarHBondContact O-N 3.47Å; M156-S159 PolarHBondContact O-OG 3.27Å; M156-V160 WeakPolarHBondContact O-CG2 3.47Å; M156-V160 PolarHBondContact O-N 3.42Å |
| 157 | L | 94.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 175 | -69.5 | 176.8 | 0 | 0 | 0 | 111.9 | V119 F122 S153 L154 S159 V160 V161 | V119-L157 HydrophobicContact CG2-CD2 3.9Å; F122-L157 HydrophobicContact CB-CD1 3.83Å; F122-L157 HydrophobicContact CD1-CD1 3.69Å; F122-L157 HydrophobicContact CD2-CD1 3.52Å; F122-L157 HydrophobicContact CE1-CD1 4.03Å; F122-L157 HydrophobicContact CE2-CD1 3.9Å; F122-L157 HydrophobicContact CG-CD1 3.4Å; F122-L157 VanDerWaalsContact CG-CD1 3.4Å; F122-L157 HydrophobicContact CZ-CD1 4.13Å; S153-L157 WeakPolarHBondContact O-CG 3.41Å; S153-L157 PolarHBondContact O-N 3.14Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 2.88Å; L157-V160 PolarHBondContact O-N 2.92Å; L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 3.2Å |
| 158 | V | 94.6 | Very high | 91.2 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L154 V160 V161 L162 | L154-V158 WeakPolarHBondContact O-CG2 3.43Å; L154-V158 PolarHBondContact O-N 3.27Å; V158-V160 VanDerWaalsContact C-N 3.33Å; V158-V160 PolarHBondContact O-N 3.32Å; V158-V161 PolarHBondContact O-N 3.22Å; V158-L162 HydrophobicContact CG1-CD1 3.79Å; V158-L162 HydrophobicContact CG1-CG 4.25Å; V158-L162 WeakPolarHBondContact O-CB 3.28Å; V158-L162 VanDerWaalsContact O-CG 3.28Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.77Å |
| 159 | S | 92.4 | Very high | 91.2 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 176.1 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | F155 M156 L157 L162 Y163 Y170 | F155-S159 PolarHBondContact O-N 3.43Å; M156-S159 PolarHBondContact O-N 3.47Å; M156-S159 PolarHBondContact O-OG 3.27Å; L157-S159 VanDerWaalsContact C-N 3.3Å; L157-S159 PolarHBondContact O-N 2.88Å; S159-L162 PolarHBondContact O-N 3.44Å; S159-Y163 WeakPolarHBondContact O-CB 3.38Å; S159-Y163 PolarHBondContact O-N 3.43Å; S159-Y170 WeakPolarHBondContact CB-O 3.14Å; S159-Y170 WeakPolarHBondContact O-CB 3.5Å |
| 160 | V | 92.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 60.7 Ų | 60.7 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | V115 M156 L157 V158 L162 Y163 F164 | V115-V160 HydrophobicContact CB-CG2 4.48Å; V115-V160 HydrophobicContact CG1-CG2 4.13Å; V115-V160 HydrophobicContact CG2-CG2 3.55Å; M156-V160 WeakPolarHBondContact O-CG2 3.47Å; M156-V160 PolarHBondContact O-N 3.42Å; L157-V160 PolarHBondContact O-N 2.92Å; V158-V160 VanDerWaalsContact C-N 3.33Å; V158-V160 PolarHBondContact O-N 3.32Å; V160-L162 VanDerWaalsContact C-N 3.33Å; V160-L162 PolarHBondContact O-N 2.98Å; V160-Y163 WeakPolarHBondContact O-CB 3.33Å; V160-Y163 PolarHBondContact O-N 3.45Å; V160-F164 HydrophobicContact CG1-CD2 3.82Å; V160-F164 HydrophobicContact CG1-CE2 3.48Å; V160-F164 VanDerWaalsContact CG1-CE2 3.48Å; V160-F164 WeakPolarHBondContact O-CD2 3.38Å; V160-F164 PolarHBondContact O-N 3.14Å; V160-F164 VanDerWaalsContact O-N 3.1Å |
| 161 | V | 93.1 | Very high | 91.1 | Very high | 90 Ų | 90 | 60.5 Ų | 60.5 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L157 V158 Y163 F164 S165 | L157-V161 WeakPolarHBondContact O-CG2 3.41Å; L157-V161 PolarHBondContact O-N 3.2Å; V158-V161 PolarHBondContact O-N 3.22Å; V161-Y163 VanDerWaalsContact C-N 3.35Å; V161-F164 PolarHBondContact O-N 2.93Å; V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.34Å; V161-S165 PolarHBondContact O-OG 3.1Å |
| 162 | L | 91.1 | Very high | 91 | Very high | 37 Ų | 37 | 61 Ų | 61 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 177.5 | -71 | 172.9 | 0 | 0 | 0 | 112.4 | V158 S159 V160 S165 H166 R167 E169 Y170 | V158-L162 HydrophobicContact CG1-CD1 3.79Å; V158-L162 HydrophobicContact CG1-CG 4.25Å; V158-L162 WeakPolarHBondContact O-CB 3.28Å; V158-L162 VanDerWaalsContact O-CG 3.28Å; V158-L162 WeakPolarHBondContact O-CG 3.42Å; V158-L162 PolarHBondContact O-N 2.77Å; S159-L162 PolarHBondContact O-N 3.44Å; V160-L162 VanDerWaalsContact C-N 3.33Å; V160-L162 PolarHBondContact O-N 2.98Å; L162-S165 PolarHBondContact O-N 3.04Å; L162-H166 PolarHBondContact O-N 3.3Å; L162-R167 HydrophobicContact CD2-CB 4.27Å; L162-R167 HydrophobicContact CD2-CG 4.41Å; L162-R167 PolarHBondContact O-N 3.18Å; L162-R167 VanDerWaalsContact O-N 3.14Å; L162-E169 HydrophobicContact CD1-CB 4.42Å; L162-Y170 VanDerWaalsContact CB-CB 3.46Å |
| 163 | Y | 88.8 | Confident | 90.9 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 174 | -177.4 | -100.8 | 0 | 0 | 0 | 111.2 | P94 P95 Y96 S159 V160 V161 S165 H166 Y170 | P94-Y163 HydrophobicContact CB-CD2 3.46Å; P94-Y163 VanDerWaalsContact CB-CD2 3.46Å; P94-Y163 HydrophobicContact CB-CE2 3.39Å; P94-Y163 HydrophobicContact CB-CG 4.29Å; P94-Y163 HydrophobicContact CG-CD2 4.43Å; P95-Y163 WeakPolarHBondContact CA-OH 3.47Å; P95-Y163 HydrophobicContact CB-CE1 3.92Å; Y96-Y163 HydrophobicContact CD2-CE2 4.27Å; Y96-Y163 HydrophobicContact CE2-CE2 4.23Å; Y96-Y163 PolarHBondContact N-OH 2.95Å; S159-Y163 WeakPolarHBondContact O-CB 3.38Å; S159-Y163 PolarHBondContact O-N 3.43Å; V160-Y163 WeakPolarHBondContact O-CB 3.33Å; V160-Y163 PolarHBondContact O-N 3.45Å; V161-Y163 VanDerWaalsContact C-N 3.35Å; Y163-S165 VanDerWaalsContact C-N 3.3Å; Y163-S165 PolarHBondContact O-N 2.9Å; Y163-H166 PolarHBondContact O-N 2.92Å; Y163-Y170 HydrophobicContact CD2-CD2 4.01Å; Y163-Y170 HydrophobicContact CD2-CE1 4.26Å; Y163-Y170 AromaticContact CD2-CE2 3.56Å; Y163-Y170 HydrophobicContact CD2-CE2 3.56Å; Y163-Y170 HydrophobicContact CD2-CG 4.5Å; Y163-Y170 AromaticContact CD2-CZ 3.64Å; Y163-Y170 HydrophobicContact CE2-CE2 4.25Å; Y163-Y170 HydrophobicContact CG-CE2 4.49Å |
| 164 | F | 88.8 | Confident | 90.8 | Very high | 146 Ų | 146 | 62.7 Ų | 62.7 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.4 | -27.2 | 174.8 | -71.2 | -64.5 | 0 | 0 | 0 | 113.3 | V160 V161 H166 | V160-F164 HydrophobicContact CG1-CD2 3.82Å; V160-F164 HydrophobicContact CG1-CE2 3.48Å; V160-F164 VanDerWaalsContact CG1-CE2 3.48Å; V160-F164 WeakPolarHBondContact O-CD2 3.38Å; V160-F164 PolarHBondContact O-N 3.14Å; V160-F164 VanDerWaalsContact O-N 3.1Å; V161-F164 PolarHBondContact O-N 2.93Å; F164-H166 PolarHBondContact O-CD2 3.17Å; F164-H166 PolarHBondContact O-N 3.46Å |
| 165 | S | 87.4 | Confident | 90.8 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 45% | 0.448 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.5 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 113.8 | V161 L162 Y163 R167 | V161-S165 WeakPolarHBondContact O-CB 3.4Å; V161-S165 PolarHBondContact O-N 3.34Å; V161-S165 PolarHBondContact O-OG 3.1Å; L162-S165 PolarHBondContact O-N 3.04Å; Y163-S165 VanDerWaalsContact C-N 3.3Å; Y163-S165 PolarHBondContact O-N 2.9Å; S165-R167 PolarHBondContact O-N 3.41Å; S165-R167 VanDerWaalsContact O-N 3.12Å |
| 166 | H | 84.9 | Confident | 90.8 | Very high | 110 Ų | 110 | 65.3 Ų | 65.3 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 23.3 | -177.1 | -58.5 | -89.6 | 0 | 0 | 0 | 114.2 | P94 P95 L162 Y163 F164 | P94-H166 PolarHBondContact O-ND1 2.65Å; P95-H166 WeakPolarHBondContact CD-CE1 3.41Å; P95-H166 WeakPolarHBondContact CD-ND1 3.14Å; L162-H166 PolarHBondContact O-N 3.3Å; Y163-H166 PolarHBondContact O-N 2.92Å; F164-H166 PolarHBondContact O-CD2 3.17Å; F164-H166 PolarHBondContact O-N 3.46Å |
| 167 | R | 86.4 | Confident | 90.8 | Very high | 131 Ų | 131 | 64.9 Ų | 64.9 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | trans | -93.7 | 132.6 | -177.9 | -62.9 | -65.3 | -70.1 | -171.2 | -3 | 110.5 | L162 S165 E169 Y170 | L162-R167 HydrophobicContact CD2-CB 4.27Å; L162-R167 HydrophobicContact CD2-CG 4.41Å; L162-R167 PolarHBondContact O-N 3.18Å; L162-R167 VanDerWaalsContact O-N 3.14Å; S165-R167 PolarHBondContact O-N 3.41Å; S165-R167 VanDerWaalsContact O-N 3.12Å; R167-E169 IonicContact CZ-OE1 2.87Å; R167-E169 IonicContact NE-OE1 3.05Å; R167-E169 IonicContact NH2-OE1 2.74Å; R167-E169 PolarHBondContact NH2-OE1 3.18Å; R167-E169 PolarHBondContact O-N 3.47Å; R167-Y170 WeakPolarHBondContact O-CD1 3.48Å | ||
| 168 | K | 85.5 | Confident | 90.8 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.2 | 174.9 | -64 | -178.1 | -179.7 | 179.5 | 0 | 113.8 | Y170 V171 | K168-Y170 PolarHBondContact O-N 3Å; K168-V171 VanDerWaalsContact O-CG2 3.31Å; K168-V171 WeakPolarHBondContact O-CG2 3.35Å |
| 169 | E | 87.1 | Confident | 90.9 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.7 | -178.4 | -68.5 | 164.1 | -147 | 0 | 0 | 113.7 | L162 R167 V171 A172 | L162-E169 HydrophobicContact CD1-CB 4.42Å; R167-E169 IonicContact CZ-OE1 2.87Å; R167-E169 IonicContact NE-OE1 3.05Å; R167-E169 IonicContact NH2-OE1 2.74Å; R167-E169 PolarHBondContact NH2-OE1 3.18Å; R167-E169 PolarHBondContact O-N 3.47Å; E169-V171 PolarHBondContact O-N 2.96Å; E169-A172 PolarHBondContact O-N 2.95Å |
| 170 | Y | 90 | Very high | 90.8 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.6 | -28.3 | 178.9 | 83.7 | -78.3 | 0 | 0 | 0 | 113.4 | R88 P94 Y96 S159 L162 Y163 R167 K168 S173 M174 | R88-Y170 VanDerWaalsContact CZ-OH 3.29Å; R88-Y170 VanDerWaalsContact NE-CZ 3.32Å; R88-Y170 PolarHBondContact NE-OH 3.3Å; R88-Y170 VanDerWaalsContact NH2-CE1 3.27Å; R88-Y170 PolarHBondContact NH2-OH 2.74Å; P94-Y170 HydrophobicContact CB-CE1 4.16Å; P94-Y170 HydrophobicContact CG-CD1 4.31Å; P94-Y170 HydrophobicContact CG-CE1 3.83Å; Y96-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y96-Y170 WeakPolarHBondContact CE2-OH 3.36Å; Y96-Y170 PolarHBondContact OH-OH 2.78Å; S159-Y170 WeakPolarHBondContact CB-O 3.14Å; S159-Y170 WeakPolarHBondContact O-CB 3.5Å; L162-Y170 VanDerWaalsContact CB-CB 3.46Å; Y163-Y170 HydrophobicContact CD2-CD2 4.01Å; Y163-Y170 HydrophobicContact CD2-CE1 4.26Å; Y163-Y170 AromaticContact CD2-CE2 3.56Å; Y163-Y170 HydrophobicContact CD2-CE2 3.56Å; Y163-Y170 HydrophobicContact CD2-CG 4.5Å; Y163-Y170 AromaticContact CD2-CZ 3.64Å; Y163-Y170 HydrophobicContact CE2-CE2 4.25Å; Y163-Y170 HydrophobicContact CG-CE2 4.49Å; R167-Y170 WeakPolarHBondContact O-CD1 3.48Å; K168-Y170 PolarHBondContact O-N 3Å; Y170-S173 PolarHBondContact O-N 3.03Å; Y170-M174 WeakPolarHBondContact O-CB 3.1Å; Y170-M174 PolarHBondContact O-N 2.82Å |
| 171 | V | 90.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 178.3 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | K168 E169 M174 V175 | K168-V171 VanDerWaalsContact O-CG2 3.31Å; K168-V171 WeakPolarHBondContact O-CG2 3.35Å; E169-V171 PolarHBondContact O-N 2.96Å; V171-M174 PolarHBondContact O-N 2.88Å; V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 VanDerWaalsContact O-CG2 3.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.33Å; V171-V175 PolarHBondContact O-N 2.96Å |
| 172 | A | 91.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 65 Ų | 65 | 45% | 0.446 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | E169 M174 V175 F176 | E169-A172 PolarHBondContact O-N 2.95Å; A172-M174 VanDerWaalsContact C-N 3.3Å; A172-M174 PolarHBondContact O-N 3.38Å; A172-V175 PolarHBondContact O-N 2.59Å; A172-F176 WeakPolarHBondContact O-CD2 3.26Å; A172-F176 PolarHBondContact O-N 3.21Å |
| 173 | S | 92.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.7 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | F155 Y170 F176 S177 | F155-S173 PolarHBondContact O-OG 2.74Å; Y170-S173 PolarHBondContact O-N 3.03Å; S173-F176 PolarHBondContact O-N 3.26Å; S173-S177 PolarHBondContact O-N 2.77Å |
| 174 | M | 92.9 | Very high | 90.9 | Very high | 25 Ų | 25 | 65.1 Ų | 65.1 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.1 | -174.2 | -176.8 | 74.4 | 0 | 0 | 112.6 | F81 A85 Y170 V171 A172 S177 L178 | F81-M174 HydrophobicContact CE2-CG 3.97Å; F81-M174 HydrophobicContact CZ-CG 3.95Å; A85-M174 HydrophobicContact CB-CE 3.95Å; A85-M174 HydrophobicContact CB-SD 4.48Å; Y170-M174 WeakPolarHBondContact O-CB 3.1Å; Y170-M174 PolarHBondContact O-N 2.82Å; V171-M174 PolarHBondContact O-N 2.88Å; A172-M174 VanDerWaalsContact C-N 3.3Å; A172-M174 PolarHBondContact O-N 3.38Å; M174-S177 PolarHBondContact O-N 3.37Å; M174-S177 PolarHBondContact O-OG 3.34Å; M174-L178 WeakPolarHBondContact O-CB 3.34Å; M174-L178 PolarHBondContact O-N 2.95Å |
| 175 | V | 94.4 | Very high | 90.9 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | V171 A172 L178 A179 | V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 VanDerWaalsContact O-CG2 3.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.33Å; V171-V175 PolarHBondContact O-N 2.96Å; A172-V175 PolarHBondContact O-N 2.59Å; V175-L178 PolarHBondContact O-N 3.18Å; V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 3.39Å |
| 176 | F | 94 | Very high | 90.7 | Very high | 126 Ų | 126 | 62.9 Ų | 62.9 | 55% | 0.553 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 173.5 | -78.9 | -61.8 | 0 | 0 | 0 | 111.9 | A172 S173 L178 A179 M180 | A172-F176 WeakPolarHBondContact O-CD2 3.26Å; A172-F176 PolarHBondContact O-N 3.21Å; S173-F176 PolarHBondContact O-N 3.26Å; F176-L178 VanDerWaalsContact C-N 3.29Å; F176-L178 PolarHBondContact O-N 3.49Å; F176-A179 PolarHBondContact O-N 2.81Å; F176-M180 VanDerWaalsContact C-CE 3.48Å; F176-M180 HydrophobicContact CB-CE 3.86Å; F176-M180 WeakPolarHBondContact O-CB 3.23Å; F176-M180 WeakPolarHBondContact O-CE 3.43Å; F176-M180 PolarHBondContact O-N 3.4Å |
| 177 | S | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 177.3 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | F81 Q152 S173 M174 G181 | F81-S177 WeakPolarHBondContact CZ-OG 3.42Å; Q152-S177 WeakPolarHBondContact CG-O 3.18Å; S173-S177 PolarHBondContact O-N 2.77Å; M174-S177 PolarHBondContact O-N 3.37Å; M174-S177 PolarHBondContact O-OG 3.34Å; S177-G181 PolarHBondContact O-N 3.14Å |
| 178 | L | 94.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.8 | -48.8 | 175.1 | -176.6 | 65.6 | 0 | 0 | 0 | 112 | M78 F81 A85 M174 V175 F176 M180 G181 W182 | M78-L178 HydrophobicContact CE-CD1 3.99Å; F81-L178 HydrophobicContact CD1-CB 4.43Å; F81-L178 HydrophobicContact CD1-CD1 3.54Å; F81-L178 HydrophobicContact CE1-CB 3.79Å; F81-L178 HydrophobicContact CE1-CD1 3.79Å; F81-L178 HydrophobicContact CE1-CG 4.42Å; F81-L178 HydrophobicContact CG-CD1 4.15Å; F81-L178 HydrophobicContact CZ-CB 4.22Å; A85-L178 HydrophobicContact CB-CD2 4.06Å; M174-L178 WeakPolarHBondContact O-CB 3.34Å; M174-L178 PolarHBondContact O-N 2.95Å; V175-L178 PolarHBondContact O-N 3.18Å; F176-L178 VanDerWaalsContact C-N 3.29Å; F176-L178 PolarHBondContact O-N 3.49Å; L178-M180 VanDerWaalsContact C-N 3.35Å; L178-M180 PolarHBondContact O-N 3.22Å; L178-G181 PolarHBondContact O-N 2.78Å; L178-G181 VanDerWaalsContact O-N 3.16Å; L178-W182 PolarHBondContact O-N 2.88Å |
| 179 | A | 95 | Very high | 90.5 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 45% | 0.446 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V175 F176 W182 T183 | V175-A179 WeakPolarHBondContact O-CB 3.27Å; V175-A179 PolarHBondContact O-N 3.39Å; F176-A179 PolarHBondContact O-N 2.81Å; A179-W182 PolarHBondContact O-N 3.05Å; A179-T183 PolarHBondContact O-N 3.36Å; A179-T183 VanDerWaalsContact O-N 3.08Å; A179-T183 PolarHBondContact O-OG1 3.05Å |
| 180 | M | 91.9 | Very high | 90 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.2 | -82.7 | 178.9 | -81.6 | 0 | 0 | 112.2 | V151 Q152 F155 F176 L178 W182 T183 N184 | V151-M180 HydrophobicContact CG1-SD 3.85Å; Q152-M180 HydrophobicContact CB-CB 4.16Å; Q152-M180 HydrophobicContact CG-CB 4.3Å; F155-M180 HydrophobicContact CB-CE 4.34Å; F155-M180 HydrophobicContact CD2-CE 3.18Å; F155-M180 HydrophobicContact CD2-SD 4.05Å; F155-M180 HydrophobicContact CE2-CE 3.49Å; F155-M180 VanDerWaalsContact CE2-CE 3.49Å; F155-M180 HydrophobicContact CE2-SD 4.15Å; F155-M180 HydrophobicContact CG-CE 3.84Å; F155-M180 HydrophobicContact CZ-CE 4.34Å; F176-M180 VanDerWaalsContact C-CE 3.48Å; F176-M180 HydrophobicContact CB-CE 3.86Å; F176-M180 WeakPolarHBondContact O-CB 3.23Å; F176-M180 WeakPolarHBondContact O-CE 3.43Å; F176-M180 PolarHBondContact O-N 3.4Å; L178-M180 VanDerWaalsContact C-N 3.35Å; L178-M180 PolarHBondContact O-N 3.22Å; M180-W182 PolarHBondContact O-N 3.32Å; M180-T183 WeakPolarHBondContact O-CB 3.35Å; M180-T183 PolarHBondContact O-N 3.19Å; M180-N184 WeakPolarHBondContact O-CB 3.08Å; M180-N184 PolarHBondContact O-N 3.17Å; M180-N184 PolarHBondContact O-ND2 3.35Å; M180-N184 PolarHBondContact O-OD1 3.15Å |
| 181 | G | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y74 S177 L178 T183 N184 M185 | Y74-G181 WeakPolarHBondContact OH-CA 3.49Å; Y74-G181 PolarHBondContact OH-O 3.38Å; S177-G181 PolarHBondContact O-N 3.14Å; L178-G181 PolarHBondContact O-N 2.78Å; L178-G181 VanDerWaalsContact O-N 3.16Å; G181-T183 VanDerWaalsContact C-N 3.35Å; G181-T183 PolarHBondContact O-N 2.81Å; G181-N184 WeakPolarHBondContact O-CB 3.32Å; G181-N184 PolarHBondContact O-N 3.37Å; G181-M185 PolarHBondContact O-N 3.25Å |
| 182 | W | 94 | Very high | 88.7 | Confident | 106 Ų | 106 | 46.9 Ų | 46.9 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 174.8 | -79.1 | 106.9 | 0 | 0 | 0 | 112.1 | M78 T82 L178 A179 M180 N184 M185 | M78-W182 HydrophobicContact CB-CH2 4.49Å; M78-W182 HydrophobicContact CB-CZ2 4.28Å; M78-W182 HydrophobicContact CE-CB 4.42Å; M78-W182 VanDerWaalsContact CE-CD1 3.48Å; M78-W182 HydrophobicContact CE-CD2 4.07Å; M78-W182 HydrophobicContact CE-CG 3.76Å; M78-W182 VanDerWaalsContact CE-N 3.34Å; T82-W182 WeakPolarHBondContact OG1-CZ2 3.4Å; T82-W182 PolarHBondContact OG1-NE1 2.99Å; L178-W182 PolarHBondContact O-N 2.88Å; A179-W182 PolarHBondContact O-N 3.05Å; M180-W182 PolarHBondContact O-N 3.32Å; W182-N184 VanDerWaalsContact C-N 3.29Å; W182-N184 PolarHBondContact O-N 3.21Å; W182-M185 HydrophobicContact CE3-SD 4Å; W182-M185 HydrophobicContact CZ3-CE 4.45Å; W182-M185 HydrophobicContact CZ3-SD 3.9Å; W182-M185 WeakPolarHBondContact O-CB 3.2Å; W182-M185 PolarHBondContact O-N 3.44Å; W182-M185 VanDerWaalsContact O-N 3.14Å |
| 183 | T | 89.8 | Confident | 87.9 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 173.3 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | A179 M180 G181 M185 L186 | A179-T183 PolarHBondContact O-N 3.36Å; A179-T183 VanDerWaalsContact O-N 3.08Å; A179-T183 PolarHBondContact O-OG1 3.05Å; M180-T183 WeakPolarHBondContact O-CB 3.35Å; M180-T183 PolarHBondContact O-N 3.19Å; G181-T183 VanDerWaalsContact C-N 3.35Å; G181-T183 PolarHBondContact O-N 2.81Å; T183-M185 PolarHBondContact O-N 2.8Å; T183-L186 HydrophobicContact CG2-CD1 4.44Å; T183-L186 VanDerWaalsContact O-CB 3.24Å; T183-L186 WeakPolarHBondContact O-CB 3.38Å; T183-L186 WeakPolarHBondContact O-CG 3.47Å; T183-L186 PolarHBondContact O-N 3.17Å |
| 184 | N | 89.6 | Confident | 87 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -19.4 | 177.6 | -70.5 | -12.5 | 0 | 0 | 0 | 113 | Y74 L148 F149 M180 G181 W182 L186 Y187 | Y74-N184 WeakPolarHBondContact OH-CB 3.23Å; L148-N184 VanDerWaalsContact CB-OD1 3.23Å; L148-N184 WeakPolarHBondContact CB-OD1 3.46Å; L148-N184 PolarHBondContact O-ND2 3.18Å; F149-N184 HydrophobicContact CD1-CB 4.11Å; F149-N184 HydrophobicContact CE1-CB 3.65Å; F149-N184 HydrophobicContact CZ-CB 3.93Å; M180-N184 WeakPolarHBondContact O-CB 3.08Å; M180-N184 PolarHBondContact O-N 3.17Å; M180-N184 PolarHBondContact O-ND2 3.35Å; M180-N184 PolarHBondContact O-OD1 3.15Å; G181-N184 WeakPolarHBondContact O-CB 3.32Å; G181-N184 PolarHBondContact O-N 3.37Å; W182-N184 VanDerWaalsContact C-N 3.29Å; W182-N184 PolarHBondContact O-N 3.21Å; N184-L186 PolarHBondContact O-N 3.43Å; N184-Y187 WeakPolarHBondContact O-CB 3.43Å; N184-Y187 PolarHBondContact O-N 3.48Å |
| 185 | M | 87.7 | Confident | 86.4 | Confident | 55 Ų | 55 | 60.6 Ų | 60.6 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.9 | -30.4 | 171 | -162.9 | -165.6 | -167.2 | 0 | 0 | 111.9 | F71 Y74 C75 G181 W182 T183 Y187 Y188 | F71-M185 HydrophobicContact CE2-CE 3.86Å; F71-M185 HydrophobicContact CE2-CG 4.17Å; F71-M185 HydrophobicContact CZ-CE 3.89Å; Y74-M185 HydrophobicContact CE1-CB 4.41Å; C75-M185 WeakPolarHBondContact SG-CE 3.4Å; G181-M185 PolarHBondContact O-N 3.25Å; W182-M185 HydrophobicContact CE3-SD 4Å; W182-M185 HydrophobicContact CZ3-CE 4.45Å; W182-M185 HydrophobicContact CZ3-SD 3.9Å; W182-M185 WeakPolarHBondContact O-CB 3.2Å; W182-M185 PolarHBondContact O-N 3.44Å; W182-M185 VanDerWaalsContact O-N 3.14Å; T183-M185 PolarHBondContact O-N 2.8Å; M185-Y187 PolarHBondContact O-N 3.49Å; M185-Y187 VanDerWaalsContact O-N 3.12Å; M185-Y188 PolarHBondContact O-N 3.47Å |
| 186 | L | 84.3 | Confident | 85.6 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.1 | -24.8 | 176.6 | -64.1 | 175.7 | 0 | 0 | 0 | 112.6 | T183 N184 Y188 T189 | T183-L186 HydrophobicContact CG2-CD1 4.44Å; T183-L186 VanDerWaalsContact O-CB 3.24Å; T183-L186 WeakPolarHBondContact O-CB 3.38Å; T183-L186 WeakPolarHBondContact O-CG 3.47Å; T183-L186 PolarHBondContact O-N 3.17Å; N184-L186 PolarHBondContact O-N 3.43Å; L186-Y188 PolarHBondContact O-N 3.16Å; L186-T189 HydrophobicContact CD2-CG2 4.4Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 3.14Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-T189 PolarHBondContact O-OG1 3.06Å |
| 187 | Y | 83.8 | Confident | 84.9 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -55.2 | -40.9 | 173.4 | 170.8 | -100.8 | 0 | 0 | 0 | 112.2 | S145 F149 N184 M185 T189 R190 | S145-Y187 VanDerWaalsContact CB-CD2 3.43Å; S145-Y187 WeakPolarHBondContact OG-CD2 3.3Å; S145-Y187 WeakPolarHBondContact OG-CE2 3.32Å; F149-Y187 AromaticContact CE2-CD1 3.93Å; F149-Y187 HydrophobicContact CE2-CD1 3.93Å; F149-Y187 HydrophobicContact CE2-CD2 4.44Å; F149-Y187 AromaticContact CE2-CG 3.86Å; F149-Y187 HydrophobicContact CE2-CG 3.86Å; F149-Y187 HydrophobicContact CZ-CD1 4.16Å; F149-Y187 HydrophobicContact CZ-CG 4.3Å; N184-Y187 WeakPolarHBondContact O-CB 3.43Å; N184-Y187 PolarHBondContact O-N 3.48Å; M185-Y187 PolarHBondContact O-N 3.49Å; M185-Y187 VanDerWaalsContact O-N 3.12Å; Y187-T189 PolarHBondContact O-N 2.93Å; Y187-R190 VanDerWaalsContact O-CB 3.32Å; Y187-R190 WeakPolarHBondContact O-CB 3.47Å; Y187-R190 VanDerWaalsContact O-CG 3.3Å; Y187-R190 WeakPolarHBondContact O-CG 3.31Å; Y187-R190 PolarHBondContact O-N 3.28Å |
| 188 | Y | 84.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -74.1 | -15.2 | -176.3 | -68.1 | -80.7 | 0 | 0 | 0 | 113.3 | F67 N70 F71 Y74 F149 M185 L186 R190 G191 | F67-Y188 HydrophobicContact CE1-CD1 4.14Å; F67-Y188 WeakPolarHBondContact CE1-O 3.36Å; F67-Y188 HydrophobicContact CE2-CD1 4.25Å; F67-Y188 AromaticContact CZ-CD1 3.88Å; F67-Y188 HydrophobicContact CZ-CD1 3.88Å; N70-Y188 HydrophobicContact CB-CE1 4.32Å; F71-Y188 HydrophobicContact CB-CD1 3.71Å; F71-Y188 HydrophobicContact CB-CE1 4.21Å; F71-Y188 HydrophobicContact CB-CG 4.05Å; F71-Y188 HydrophobicContact CD2-CD1 4.06Å; F71-Y188 AromaticContact CD2-CD2 3.88Å; F71-Y188 HydrophobicContact CD2-CD2 3.88Å; F71-Y188 AromaticContact CD2-CG 3.47Å; F71-Y188 HydrophobicContact CD2-CG 3.47Å; F71-Y188 VanDerWaalsContact CD2-CG 3.47Å; F71-Y188 HydrophobicContact CE2-CG 4.36Å; F71-Y188 HydrophobicContact CG-CD1 4.36Å; F71-Y188 HydrophobicContact CG-CG 4.2Å; Y74-Y188 HydrophobicContact CD1-CD2 4Å; Y74-Y188 AromaticContact CD1-CE2 3.47Å; Y74-Y188 HydrophobicContact CD1-CE2 3.47Å; Y74-Y188 VanDerWaalsContact CD1-CE2 3.47Å; Y74-Y188 HydrophobicContact CD2-CE2 4.45Å; Y74-Y188 HydrophobicContact CE1-CE2 4.19Å; Y74-Y188 AromaticContact CG-CE2 3.61Å; Y74-Y188 HydrophobicContact CG-CE2 3.61Å; F149-Y188 HydrophobicContact CZ-CE2 4.15Å; M185-Y188 PolarHBondContact O-N 3.47Å; L186-Y188 PolarHBondContact O-N 3.16Å; Y188-R190 PolarHBondContact O-N 3.24Å; Y188-R190 VanDerWaalsContact O-N 3.17Å; Y188-G191 PolarHBondContact O-N 3.21Å |
| 189 | T | 83.3 | Confident | 83.4 | Confident | 31 Ų | 31 | 59 Ų | 59 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -62.8 | -21.8 | 173.5 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | L186 Y187 G191 F192 G196 A199 | L186-T189 HydrophobicContact CD2-CG2 4.4Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 3.14Å; L186-T189 VanDerWaalsContact O-N 3.14Å; L186-T189 PolarHBondContact O-OG1 3.06Å; Y187-T189 PolarHBondContact O-N 2.93Å; T189-G191 PolarHBondContact O-N 3.22Å; T189-F192 PolarHBondContact O-N 3.5Å; T189-G196 PolarHBondContact O-N 3.02Å; T189-A199 WeakPolarHBondContact OG1-CB 3.09Å |
| 190 | R | 76.3 | Confident | 82.4 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.9 | 176.1 | -66.1 | 177.3 | 175.6 | 171.3 | -1.1 | 114 | S145 Y187 Y188 F192 E203 W330 | S145-R190 PolarHBondContact OG-NH1 3.05Å; S145-R190 VanDerWaalsContact OG-NH1 3.15Å; Y187-R190 VanDerWaalsContact O-CB 3.32Å; Y187-R190 WeakPolarHBondContact O-CB 3.47Å; Y187-R190 VanDerWaalsContact O-CG 3.3Å; Y187-R190 WeakPolarHBondContact O-CG 3.31Å; Y187-R190 PolarHBondContact O-N 3.28Å; Y188-R190 PolarHBondContact O-N 3.24Å; Y188-R190 VanDerWaalsContact O-N 3.17Å; R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.28Å; R190-E203 IonicContact CZ-OE2 2.67Å; R190-E203 VanDerWaalsContact NH2-CD 3.26Å; R190-E203 IonicContact NH2-OE1 2.72Å; R190-E203 PolarHBondContact NH2-OE1 3.22Å; R190-E203 VanDerWaalsContact NH2-OE1 3.1Å; R190-E203 IonicContact NH2-OE2 3.1Å; R190-E203 PolarHBondContact NH2-OE2 3.41Å; R190-W330 PolarHBondContact O-NE1 3.12Å |
| 191 | G | 76 | Confident | 81.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -70.1 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | W59 Y188 T189 | W59-G191 WeakPolarHBondContact CZ2-O 3.42Å; Y188-G191 PolarHBondContact O-N 3.21Å; T189-G191 PolarHBondContact O-N 3.22Å |
| 192 | F | 78.5 | Confident | 80.9 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -93.1 | 134.7 | 174.3 | -60.1 | -82.1 | 0 | 0 | 0 | 109.9 | Y68 T189 R190 Q194 M195 G196 | Y68-F192 HydrophobicContact CD1-CZ 4.44Å; Y68-F192 AromaticContact CE1-CE1 3.7Å; Y68-F192 HydrophobicContact CE1-CE1 3.7Å; Y68-F192 AromaticContact CE1-CE2 3.98Å; Y68-F192 HydrophobicContact CE1-CE2 3.98Å; Y68-F192 AromaticContact CE1-CZ 3.39Å; Y68-F192 HydrophobicContact CE1-CZ 3.39Å; Y68-F192 AromaticContact CZ-CE1 3.76Å; Y68-F192 AromaticContact CZ-CZ 3.97Å; Y68-F192 WeakPolarHBondContact OH-CD1 3.42Å; Y68-F192 WeakPolarHBondContact OH-CE1 3.4Å; T189-F192 PolarHBondContact O-N 3.5Å; R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.28Å; F192-Q194 PolarHBondContact O-N 3.31Å; F192-M195 HydrophobicContact CB-CB 4.13Å; F192-M195 HydrophobicContact CB-CG 4.28Å; F192-G196 WeakPolarHBondContact O-CA 3.19Å; F192-G196 PolarHBondContact O-N 2.96Å |
| 193 | Q | 74.4 | Confident | 80 | Confident | 110 Ų | 110 | 56.9 Ų | 56.9 | 51% | 0.514 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | -174.8 | 179.2 | 172.7 | -19.6 | 0 | 0 | 113.2 | I197 W330 | Q193-I197 WeakPolarHBondContact O-CD1 3.46Å; Q193-I197 VanDerWaalsContact O-CG1 3.29Å; Q193-I197 WeakPolarHBondContact O-CG1 3.36Å; Q193-W330 VanDerWaalsContact CA-CZ2 3.48Å; Q193-W330 HydrophobicContact CB-CH2 3.75Å; Q193-W330 HydrophobicContact CB-CZ2 3.69Å; Q193-W330 HydrophobicContact CG-CH2 3.52Å; Q193-W330 HydrophobicContact CG-CZ2 3.86Å; Q193-W330 HydrophobicContact CG-CZ3 3.9Å |
| 194 | Q | 73.8 | Confident | 79.2 | Confident | 156 Ų | 156 | 56 Ų | 56 | 73% | 0.729 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -72 | -53.8 | -179.9 | -68.9 | 173.5 | -13.5 | 0 | 0 | 111 | F192 G196 I197 Y198 | F192-Q194 PolarHBondContact O-N 3.31Å; Q194-G196 VanDerWaalsContact C-N 3.32Å; Q194-G196 PolarHBondContact O-N 3.17Å; Q194-I197 PolarHBondContact O-N 3.14Å; Q194-Y198 WeakPolarHBondContact O-CD2 3.48Å; Q194-Y198 PolarHBondContact O-N 3.17Å |
| 195 | M | 79 | Confident | 78.6 | Confident | 113 Ų | 113 | 57.2 Ų | 57.2 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.4 | -35.1 | -178.6 | -57 | -62 | -90.7 | 0 | 0 | 112.8 | F192 I197 Y198 A199 | F192-M195 HydrophobicContact CB-CB 4.13Å; F192-M195 HydrophobicContact CB-CG 4.28Å; M195-I197 PolarHBondContact O-N 3.22Å; M195-Y198 PolarHBondContact O-N 3.05Å; M195-A199 WeakPolarHBondContact O-CB 3.36Å; M195-A199 PolarHBondContact O-N 3.36Å |
| 196 | G | 77.7 | Confident | 78.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.2 | -34.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T189 F192 Q194 V200 | T189-G196 PolarHBondContact O-N 3.02Å; F192-G196 WeakPolarHBondContact O-CA 3.19Å; F192-G196 PolarHBondContact O-N 2.96Å; Q194-G196 VanDerWaalsContact C-N 3.32Å; Q194-G196 PolarHBondContact O-N 3.17Å; G196-V200 VanDerWaalsContact O-CG2 3.25Å; G196-V200 WeakPolarHBondContact O-CG2 3.31Å; G196-V200 PolarHBondContact O-N 3.35Å; G196-V200 VanDerWaalsContact O-N 3.14Å |
| 197 | I | 79.8 | Confident | 77.5 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 174.1 | -69.5 | 166.6 | 0 | 0 | 0 | 110.2 | Q193 Q194 M195 V200 M201 S326 W330 | Q193-I197 WeakPolarHBondContact O-CD1 3.46Å; Q193-I197 VanDerWaalsContact O-CG1 3.29Å; Q193-I197 WeakPolarHBondContact O-CG1 3.36Å; Q194-I197 PolarHBondContact O-N 3.14Å; M195-I197 PolarHBondContact O-N 3.22Å; I197-V200 PolarHBondContact O-N 2.88Å; I197-M201 PolarHBondContact O-N 3.05Å; I197-M201 VanDerWaalsContact O-N 3.08Å; I197-S326 WeakPolarHBondContact CG2-OG 3.13Å; I197-W330 HydrophobicContact CG1-CB 4.08Å; I197-W330 HydrophobicContact CG1-CD2 4.41Å; I197-W330 HydrophobicContact CG1-CG 4.06Å |
| 198 | Y | 79.3 | Confident | 76.9 | Confident | 141 Ų | 141 | 59.5 Ų | 59.5 | 55% | 0.553 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 177.5 | -68.7 | -67 | 0 | 0 | 0 | 112.7 | Q194 M195 V200 M201 I202 | Q194-Y198 WeakPolarHBondContact O-CD2 3.48Å; Q194-Y198 PolarHBondContact O-N 3.17Å; M195-Y198 PolarHBondContact O-N 3.05Å; Y198-V200 VanDerWaalsContact C-N 3.34Å; Y198-V200 PolarHBondContact O-N 2.91Å; Y198-M201 HydrophobicContact CD1-CE 3.96Å; Y198-M201 WeakPolarHBondContact O-CB 3.23Å; Y198-M201 PolarHBondContact O-N 3.04Å; Y198-M201 VanDerWaalsContact O-N 3.17Å; Y198-I202 WeakPolarHBondContact O-CG1 3.38Å; Y198-I202 PolarHBondContact O-N 3.29Å |
| 199 | A | 78.3 | Confident | 76.7 | Confident | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | T189 M195 M201 I202 E203 | T189-A199 WeakPolarHBondContact OG1-CB 3.09Å; M195-A199 WeakPolarHBondContact O-CB 3.36Å; M195-A199 PolarHBondContact O-N 3.36Å; A199-M201 VanDerWaalsContact C-N 3.32Å; A199-M201 PolarHBondContact O-N 3.25Å; A199-I202 PolarHBondContact O-N 3.36Å; A199-E203 VanDerWaalsContact O-CB 3.32Å; A199-E203 WeakPolarHBondContact O-CB 3.42Å; A199-E203 PolarHBondContact O-N 3.26Å |
| 200 | V | 75.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | G196 I197 Y198 K204 I329 | G196-V200 VanDerWaalsContact O-CG2 3.25Å; G196-V200 WeakPolarHBondContact O-CG2 3.31Å; G196-V200 PolarHBondContact O-N 3.35Å; G196-V200 VanDerWaalsContact O-N 3.14Å; I197-V200 PolarHBondContact O-N 2.88Å; Y198-V200 VanDerWaalsContact C-N 3.34Å; Y198-V200 PolarHBondContact O-N 2.91Å; V200-K204 HydrophobicContact CG1-CD 4.5Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 3.28Å; V200-K204 VanDerWaalsContact O-N 3.09Å; V200-I329 HydrophobicContact CG1-CB 4.27Å; V200-I329 HydrophobicContact CG1-CG2 3.59Å |
| 201 | M | 76.1 | Confident | 76.5 | Confident | 30 Ų | 30 | 62 Ų | 62 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -49.6 | 178.3 | -171.5 | 178.3 | 76.1 | 0 | 0 | 111 | I197 Y198 A199 E203 K204 M205 V319 I322 | I197-M201 PolarHBondContact O-N 3.05Å; I197-M201 VanDerWaalsContact O-N 3.08Å; Y198-M201 HydrophobicContact CD1-CE 3.96Å; Y198-M201 WeakPolarHBondContact O-CB 3.23Å; Y198-M201 PolarHBondContact O-N 3.04Å; Y198-M201 VanDerWaalsContact O-N 3.17Å; A199-M201 VanDerWaalsContact C-N 3.32Å; A199-M201 PolarHBondContact O-N 3.25Å; M201-E203 PolarHBondContact O-N 3.39Å; M201-K204 PolarHBondContact O-N 2.91Å; M201-M205 WeakPolarHBondContact O-CB 3.36Å; M201-M205 PolarHBondContact O-N 2.98Å; M201-V319 HydrophobicContact CE-CG1 4.49Å; M201-V319 HydrophobicContact CE-CG2 4.37Å; M201-V319 HydrophobicContact CG-CG2 4.46Å; M201-V319 HydrophobicContact SD-CB 4.37Å; M201-V319 HydrophobicContact SD-CG1 3.89Å; M201-V319 HydrophobicContact SD-CG2 4.07Å; M201-I322 HydrophobicContact CB-CG2 4.18Å; M201-I322 HydrophobicContact CG-CG2 3.98Å |
| 202 | I | 77.9 | Confident | 76.7 | Confident | 88 Ų | 88 | 69.2 Ų | 69.2 | 45% | 0.451 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 177.2 | -68.5 | 170.1 | 0 | 0 | 0 | 110.7 | Y198 A199 K204 M205 I206 | Y198-I202 WeakPolarHBondContact O-CG1 3.38Å; Y198-I202 PolarHBondContact O-N 3.29Å; A199-I202 PolarHBondContact O-N 3.36Å; I202-K204 PolarHBondContact O-N 3.35Å; I202-M205 PolarHBondContact O-N 3.5Å; I202-I206 HydrophobicContact CG2-CD1 3.54Å; I202-I206 HydrophobicContact CG2-CG1 4.29Å; I202-I206 WeakPolarHBondContact O-CB 3.47Å; I202-I206 VanDerWaalsContact O-CG1 3.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.47Å; I202-I206 PolarHBondContact O-N 3.39Å |
| 203 | E | 74.9 | Confident | 76.8 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | -180 | -179.6 | 179.6 | -175.9 | 0 | 0 | 112.2 | R190 A199 M201 L207 | R190-E203 IonicContact CZ-OE2 2.67Å; R190-E203 VanDerWaalsContact NH2-CD 3.26Å; R190-E203 IonicContact NH2-OE1 2.72Å; R190-E203 PolarHBondContact NH2-OE1 3.22Å; R190-E203 VanDerWaalsContact NH2-OE1 3.1Å; R190-E203 IonicContact NH2-OE2 3.1Å; R190-E203 PolarHBondContact NH2-OE2 3.41Å; A199-E203 VanDerWaalsContact O-CB 3.32Å; A199-E203 WeakPolarHBondContact O-CB 3.42Å; A199-E203 PolarHBondContact O-N 3.26Å; M201-E203 PolarHBondContact O-N 3.39Å; E203-L207 HydrophobicContact CG-CD1 4.28Å; E203-L207 PolarHBondContact O-N 2.92Å |
| 204 | K | 73 | Confident | 77.2 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 27% | 0.265 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71 | -36.7 | 179.5 | -74.7 | -168.2 | 173.2 | -164.9 | 0 | 112.9 | V200 M201 I202 R208 I322 I329 | V200-K204 HydrophobicContact CG1-CD 4.5Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 PolarHBondContact O-N 3.28Å; V200-K204 VanDerWaalsContact O-N 3.09Å; M201-K204 PolarHBondContact O-N 2.91Å; I202-K204 PolarHBondContact O-N 3.35Å; K204-R208 WeakPolarHBondContact O-CB 3.39Å; K204-R208 PolarHBondContact O-N 3.41Å; K204-R208 VanDerWaalsContact O-N 3.1Å; K204-I322 HydrophobicContact CB-CD1 3.65Å; K204-I322 HydrophobicContact CD-CD1 4.13Å; K204-I329 HydrophobicContact CD-CD1 4.43Å |
| 205 | M | 76.6 | Confident | 77.8 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 177.5 | -171.1 | 178 | 77.2 | 0 | 0 | 110.6 | M201 I202 D209 L210 M315 T318 V319 | M201-M205 WeakPolarHBondContact O-CB 3.36Å; M201-M205 PolarHBondContact O-N 2.98Å; I202-M205 PolarHBondContact O-N 3.5Å; M205-D209 WeakPolarHBondContact O-CA 3.28Å; M205-D209 VanDerWaalsContact O-CB 3.29Å; M205-D209 WeakPolarHBondContact O-CB 3.45Å; M205-D209 PolarHBondContact O-N 2.88Å; M205-L210 PolarHBondContact O-N 3.3Å; M205-M315 HydrophobicContact CE-CE 3.79Å; M205-M315 HydrophobicContact CE-CG 4.34Å; M205-M315 HydrophobicContact CE-SD 3.8Å; M205-M315 HydrophobicContact CG-CE 4.3Å; M205-M315 HydrophobicContact CG-CG 3.89Å; M205-M315 HydrophobicContact SD-CB 3.91Å; M205-M315 HydrophobicContact SD-CE 4.21Å; M205-M315 HydrophobicContact SD-CG 3.59Å; M205-M315 VanDerWaalsContact SD-CG 3.59Å; M205-M315 HydrophobicContact SD-SD 3.82Å; M205-T318 HydrophobicContact CB-CG2 4.47Å; M205-V319 HydrophobicContact SD-CG2 3.98Å |
| 206 | I | 77.1 | Confident | 78.1 | Confident | 78 Ų | 78 | 62 Ų | 62 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -64.4 | -54.1 | 176.8 | -68.3 | 171.4 | 0 | 0 | 0 | 110.5 | I202 R208 L210 | I202-I206 HydrophobicContact CG2-CD1 3.54Å; I202-I206 HydrophobicContact CG2-CG1 4.29Å; I202-I206 WeakPolarHBondContact O-CB 3.47Å; I202-I206 VanDerWaalsContact O-CG1 3.27Å; I202-I206 WeakPolarHBondContact O-CG1 3.47Å; I202-I206 PolarHBondContact O-N 3.39Å; I206-R208 PolarHBondContact O-N 3.23Å; I206-L210 HydrophobicContact CG2-CB 4.41Å; I206-L210 HydrophobicContact CG2-CD2 4.16Å; I206-L210 WeakPolarHBondContact O-CB 3.28Å; I206-L210 PolarHBondContact O-N 3.15Å |
| 207 | L | 71.5 | Confident | 78.5 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 36% | 0.356 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -67 | -36.9 | -172.4 | -77.6 | 170.3 | 0 | 0 | 0 | 113.8 | E203 C211 | E203-L207 HydrophobicContact CG-CD1 4.28Å; E203-L207 PolarHBondContact O-N 2.92Å; L207-C211 VanDerWaalsContact O-CB 3.3Å; L207-C211 WeakPolarHBondContact O-CB 3.31Å; L207-C211 PolarHBondContact O-SG 3.17Å |
| 208 | R | 72.2 | Confident | 78.9 | Confident | 99 Ų | 99 | 64.3 Ų | 64.3 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -89.3 | -46.4 | -176.6 | -173.5 | 179.4 | 64.8 | -153.8 | 4.2 | 112.5 | K204 I206 R212 T318 | K204-R208 WeakPolarHBondContact O-CB 3.39Å; K204-R208 PolarHBondContact O-N 3.41Å; K204-R208 VanDerWaalsContact O-N 3.1Å; I206-R208 PolarHBondContact O-N 3.23Å; R208-R212 WeakPolarHBondContact O-CG 3.39Å; R208-T318 PolarHBondContact NH2-OG1 3.36Å |
| 209 | D | 78.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -94.5 | -41.8 | -166.7 | -51.4 | -20.5 | 0 | 0 | 0 | 110.5 | M205 C211 R212 F213 L314 T318 | M205-D209 WeakPolarHBondContact O-CA 3.28Å; M205-D209 VanDerWaalsContact O-CB 3.29Å; M205-D209 WeakPolarHBondContact O-CB 3.45Å; M205-D209 PolarHBondContact O-N 2.88Å; D209-C211 VanDerWaalsContact C-N 3.34Å; D209-C211 PolarHBondContact O-N 3.41Å; D209-R212 PolarHBondContact O-N 3.44Å; D209-F213 WeakPolarHBondContact O-CB 3.36Å; D209-F213 PolarHBondContact O-N 2.82Å; D209-F213 VanDerWaalsContact O-N 3.12Å; D209-L314 HydrophobicContact CB-CB 4.27Å; D209-T318 WeakPolarHBondContact OD2-CB 3.12Å; D209-T318 WeakPolarHBondContact OD2-CG2 3.17Å; D209-T318 PolarHBondContact OD2-OG1 3.23Å |
| 210 | L | 79.4 | Confident | 79.8 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -63.8 | -38 | 174.2 | -159.1 | 92.8 | 0 | 0 | 0 | 111.6 | M205 I206 R212 F213 M214 | M205-L210 PolarHBondContact O-N 3.3Å; I206-L210 HydrophobicContact CG2-CB 4.41Å; I206-L210 HydrophobicContact CG2-CD2 4.16Å; I206-L210 WeakPolarHBondContact O-CB 3.28Å; I206-L210 PolarHBondContact O-N 3.15Å; L210-R212 PolarHBondContact O-N 2.85Å; L210-F213 HydrophobicContact CD1-CD1 4.49Å; L210-F213 WeakPolarHBondContact O-CB 3.49Å; L210-F213 PolarHBondContact O-N 2.85Å; L210-M214 HydrophobicContact CD2-CG 4.34Å; L210-M214 HydrophobicContact CG-CG 4.21Å; L210-M214 WeakPolarHBondContact O-CB 3.24Å; L210-M214 VanDerWaalsContact O-CG 3.24Å; L210-M214 WeakPolarHBondContact O-CG 3.46Å; L210-M214 PolarHBondContact O-N 3.03Å |
| 211 | C | 77.1 | Confident | 80.5 | Confident | 72 Ų | 72 | 64 Ų | 64 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 179.5 | -71.4 | 0 | 0 | 0 | 0 | 113 | L207 D209 F213 M214 F215 | L207-C211 VanDerWaalsContact O-CB 3.3Å; L207-C211 WeakPolarHBondContact O-CB 3.31Å; L207-C211 PolarHBondContact O-SG 3.17Å; D209-C211 VanDerWaalsContact C-N 3.34Å; D209-C211 PolarHBondContact O-N 3.41Å; C211-F213 VanDerWaalsContact C-N 3.32Å; C211-M214 PolarHBondContact O-N 3.17Å; C211-F215 PolarHBondContact O-N 3.35Å; C211-F215 VanDerWaalsContact O-N 3.16Å |
| 212 | R | 80.2 | Confident | 81.2 | Confident | 158 Ų | 158 | 68.5 Ų | 68.5 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 175.9 | -71.3 | 174.1 | 179.6 | -179.3 | -1.7 | 111 | R208 D209 L210 F215 V216 | R208-R212 WeakPolarHBondContact O-CG 3.39Å; D209-R212 PolarHBondContact O-N 3.44Å; L210-R212 PolarHBondContact O-N 2.85Å; R212-F215 PolarHBondContact O-N 3.16Å; R212-V216 PolarHBondContact O-N 2.75Å |
| 213 | F | 81.1 | Confident | 81.8 | Confident | 32 Ų | 32 | 66 Ų | 66 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 175.3 | 166.4 | -90.8 | 0 | 0 | 0 | 112.6 | D209 L210 C211 F215 V216 Y217 L307 L311 | D209-F213 WeakPolarHBondContact O-CB 3.36Å; D209-F213 PolarHBondContact O-N 2.82Å; D209-F213 VanDerWaalsContact O-N 3.12Å; L210-F213 HydrophobicContact CD1-CD1 4.49Å; L210-F213 WeakPolarHBondContact O-CB 3.49Å; L210-F213 PolarHBondContact O-N 2.85Å; C211-F213 VanDerWaalsContact C-N 3.32Å; F213-F215 PolarHBondContact O-N 3.19Å; F213-V216 PolarHBondContact O-N 3.42Å; F213-V216 VanDerWaalsContact O-N 3.13Å; F213-Y217 WeakPolarHBondContact O-CB 3.4Å; F213-Y217 PolarHBondContact O-N 2.92Å; F213-L307 HydrophobicContact CE1-CD2 4.02Å; F213-L307 HydrophobicContact CE2-CB 4.33Å; F213-L307 HydrophobicContact CE2-CD2 3.58Å; F213-L307 HydrophobicContact CE2-CG 4.49Å; F213-L307 HydrophobicContact CZ-CB 4.44Å; F213-L307 HydrophobicContact CZ-CD2 3.13Å; F213-L307 HydrophobicContact CZ-CG 4.32Å; F213-L311 HydrophobicContact CD2-CB 4.49Å; F213-L311 HydrophobicContact CD2-CD1 4.19Å; F213-L311 HydrophobicContact CE2-CB 4.16Å; F213-L311 HydrophobicContact CE2-CD1 4.1Å; F213-L311 HydrophobicContact CG-CD1 4.43Å; F213-L311 HydrophobicContact CZ-CD1 4.35Å |
| 214 | M | 83 | Confident | 82.4 | Confident | 68 Ų | 68 | 66 Ų | 66 | 34% | 0.335 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 179.1 | -76.3 | -56.1 | -60.9 | 0 | 0 | 111.2 | L210 C211 Y217 L218 | L210-M214 HydrophobicContact CD2-CG 4.34Å; L210-M214 HydrophobicContact CG-CG 4.21Å; L210-M214 WeakPolarHBondContact O-CB 3.24Å; L210-M214 VanDerWaalsContact O-CG 3.24Å; L210-M214 WeakPolarHBondContact O-CG 3.46Å; L210-M214 PolarHBondContact O-N 3.03Å; C211-M214 PolarHBondContact O-N 3.17Å; M214-Y217 HydrophobicContact CE-CD1 4.14Å; M214-Y217 PolarHBondContact O-N 3.49Å; M214-Y217 HydrophobicContact SD-CD1 4.46Å; M214-L218 WeakPolarHBondContact O-CB 3.33Å; M214-L218 WeakPolarHBondContact O-CG 3.31Å; M214-L218 PolarHBondContact O-N 3.32Å |
| 215 | F | 85.4 | Confident | 83.2 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.2 | -49.9 | 175.1 | -179.5 | -98.3 | 0 | 0 | 0 | 112.2 | C211 R212 F213 Y217 L218 V219 | C211-F215 PolarHBondContact O-N 3.35Å; C211-F215 VanDerWaalsContact O-N 3.16Å; R212-F215 PolarHBondContact O-N 3.16Å; F213-F215 PolarHBondContact O-N 3.19Å; F215-Y217 VanDerWaalsContact C-N 3.35Å; F215-Y217 PolarHBondContact O-N 2.79Å; F215-L218 PolarHBondContact O-N 2.92Å; F215-V219 HydrophobicContact CE1-CG2 4.47Å; F215-V219 HydrophobicContact CZ-CG2 4.5Å; F215-V219 WeakPolarHBondContact O-CG2 3.27Å; F215-V219 PolarHBondContact O-N 3.14Å |
| 216 | V | 85.1 | Confident | 83.7 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.6 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | R212 F213 L218 V219 F220 | R212-V216 PolarHBondContact O-N 2.75Å; F213-V216 PolarHBondContact O-N 3.42Å; F213-V216 VanDerWaalsContact O-N 3.13Å; V216-L218 PolarHBondContact O-N 3.11Å; V216-V219 PolarHBondContact O-N 3.22Å; V216-F220 HydrophobicContact CG1-CD2 4.16Å; V216-F220 HydrophobicContact CG1-CE2 4.06Å; V216-F220 WeakPolarHBondContact O-CD2 3.38Å; V216-F220 PolarHBondContact O-N 3.05Å |
| 217 | Y | 86.6 | Confident | 84.2 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 178.4 | 175.5 | -105.2 | 0 | 0 | 0 | 113 | F213 M214 F215 V219 F220 L221 F271 T274 L307 | F213-Y217 WeakPolarHBondContact O-CB 3.4Å; F213-Y217 PolarHBondContact O-N 2.92Å; M214-Y217 HydrophobicContact CE-CD1 4.14Å; M214-Y217 PolarHBondContact O-N 3.49Å; M214-Y217 HydrophobicContact SD-CD1 4.46Å; F215-Y217 VanDerWaalsContact C-N 3.35Å; F215-Y217 PolarHBondContact O-N 2.79Å; Y217-V219 VanDerWaalsContact C-N 3.33Å; Y217-V219 PolarHBondContact O-N 3.49Å; Y217-F220 PolarHBondContact O-N 3.47Å; Y217-L221 HydrophobicContact CE1-CB 4.37Å; Y217-L221 HydrophobicContact CE1-CD2 3.89Å; Y217-L221 WeakPolarHBondContact O-CB 3.39Å; Y217-L221 PolarHBondContact O-N 3.11Å; Y217-F271 HydrophobicContact CE1-CD2 4.06Å; Y217-F271 HydrophobicContact CE1-CE2 4.36Å; Y217-F271 VanDerWaalsContact OH-CD2 3.23Å; Y217-F271 WeakPolarHBondContact OH-CD2 3.39Å; Y217-T274 HydrophobicContact CE2-CG2 3.97Å; Y217-T274 PolarHBondContact OH-OG1 2.9Å; Y217-L307 HydrophobicContact CD2-CD2 3.8Å; Y217-L307 HydrophobicContact CE2-CD2 4.25Å |
| 218 | L | 88.3 | Confident | 84.8 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 179.2 | -75 | 171.3 | 0 | 0 | 0 | 112.2 | M214 F215 V216 F220 L221 F222 | M214-L218 WeakPolarHBondContact O-CB 3.33Å; M214-L218 WeakPolarHBondContact O-CG 3.31Å; M214-L218 PolarHBondContact O-N 3.32Å; F215-L218 PolarHBondContact O-N 2.92Å; V216-L218 PolarHBondContact O-N 3.11Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.32Å; L218-L221 HydrophobicContact CD2-CD2 4.39Å; L218-L221 PolarHBondContact O-N 3.36Å; L218-F222 HydrophobicContact CB-CD2 4.44Å; L218-F222 HydrophobicContact CD2-CE2 4.27Å; L218-F222 WeakPolarHBondContact O-CB 3.29Å; L218-F222 WeakPolarHBondContact O-CD2 3.38Å; L218-F222 PolarHBondContact O-N 3.49Å |
| 219 | V | 89.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 52% | 0.521 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | F215 V216 Y217 G223 | F215-V219 HydrophobicContact CE1-CG2 4.47Å; F215-V219 HydrophobicContact CZ-CG2 4.5Å; F215-V219 WeakPolarHBondContact O-CG2 3.27Å; F215-V219 PolarHBondContact O-N 3.14Å; V216-V219 PolarHBondContact O-N 3.22Å; Y217-V219 VanDerWaalsContact C-N 3.33Å; Y217-V219 PolarHBondContact O-N 3.49Å; V219-G223 PolarHBondContact O-N 3.05Å |
| 220 | F | 87.4 | Confident | 85.4 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 175.5 | -82.1 | -100.4 | 0 | 0 | 0 | 111.8 | V216 Y217 L218 F222 G223 F224 L306 | V216-F220 HydrophobicContact CG1-CD2 4.16Å; V216-F220 HydrophobicContact CG1-CE2 4.06Å; V216-F220 WeakPolarHBondContact O-CD2 3.38Å; V216-F220 PolarHBondContact O-N 3.05Å; Y217-F220 PolarHBondContact O-N 3.47Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-F220 PolarHBondContact O-N 3.32Å; F220-F222 PolarHBondContact O-N 3.31Å; F220-G223 PolarHBondContact O-N 3.41Å; F220-F224 HydrophobicContact CD1-CD2 4.28Å; F220-F224 AromaticContact CD1-CE2 3.79Å; F220-F224 HydrophobicContact CD1-CE2 3.79Å; F220-F224 HydrophobicContact CE1-CE2 4.37Å; F220-F224 WeakPolarHBondContact O-CB 3.33Å; F220-F224 VanDerWaalsContact O-CD2 3.32Å; F220-F224 WeakPolarHBondContact O-CD2 3.24Å; F220-F224 PolarHBondContact O-N 3.41Å; F220-L306 HydrophobicContact CD1-CD1 4.02Å; F220-L306 HydrophobicContact CD2-CD1 4.18Å; F220-L306 HydrophobicContact CE1-CD1 3.52Å; F220-L306 HydrophobicContact CE2-CD1 3.68Å; F220-L306 HydrophobicContact CG-CD1 4.34Å; F220-L306 HydrophobicContact CZ-CD1 3.33Å |
| 221 | L | 89.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 179.9 | -177.3 | 65.6 | 0 | 0 | 0 | 111.6 | Y217 L218 S225 C267 L270 Y299 | Y217-L221 HydrophobicContact CE1-CB 4.37Å; Y217-L221 HydrophobicContact CE1-CD2 3.89Å; Y217-L221 WeakPolarHBondContact O-CB 3.39Å; Y217-L221 PolarHBondContact O-N 3.11Å; L218-L221 HydrophobicContact CD2-CD2 4.39Å; L218-L221 PolarHBondContact O-N 3.36Å; L221-S225 WeakPolarHBondContact O-CB 3.43Å; L221-S225 PolarHBondContact O-N 3.23Å; L221-C267 WeakPolarHBondContact CD2-SG 3.16Å; L221-C267 VanDerWaalsContact CG-SG 3.6Å; L221-L270 HydrophobicContact CD1-CB 3.8Å; L221-Y299 VanDerWaalsContact CD1-OH 3.29Å; L221-Y299 WeakPolarHBondContact CD1-OH 3.25Å |
| 222 | F | 90.3 | Very high | 85.1 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 177 | -81.9 | -67.9 | 0 | 0 | 0 | 112.1 | L218 F220 S225 T226 | L218-F222 HydrophobicContact CB-CD2 4.44Å; L218-F222 HydrophobicContact CD2-CE2 4.27Å; L218-F222 WeakPolarHBondContact O-CB 3.29Å; L218-F222 WeakPolarHBondContact O-CD2 3.38Å; L218-F222 PolarHBondContact O-N 3.49Å; F220-F222 PolarHBondContact O-N 3.31Å; F222-S225 PolarHBondContact O-N 2.99Å; F222-T226 WeakPolarHBondContact O-CG2 3.11Å; F222-T226 PolarHBondContact O-N 2.86Å; F222-T226 PolarHBondContact O-OG1 3.3Å; F222-T226 VanDerWaalsContact O-OG1 3.14Å |
| 223 | G | 91 | Very high | 84.3 | Confident | 36 Ų | 36 | 52.9 Ų | 52.9 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V219 F220 T226 A227 | V219-G223 PolarHBondContact O-N 3.05Å; F220-G223 PolarHBondContact O-N 3.41Å; G223-T226 PolarHBondContact O-OG1 3.46Å; G223-A227 PolarHBondContact O-N 2.82Å |
| 224 | F | 88.5 | Confident | 83 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.6 | -35.4 | 176.6 | -79.7 | -94.4 | 0 | 0 | 0 | 112.2 | F220 T226 A227 V228 L270 L295 Y299 L302 | F220-F224 HydrophobicContact CD1-CD2 4.28Å; F220-F224 AromaticContact CD1-CE2 3.79Å; F220-F224 HydrophobicContact CD1-CE2 3.79Å; F220-F224 HydrophobicContact CE1-CE2 4.37Å; F220-F224 WeakPolarHBondContact O-CB 3.33Å; F220-F224 VanDerWaalsContact O-CD2 3.32Å; F220-F224 WeakPolarHBondContact O-CD2 3.24Å; F220-F224 PolarHBondContact O-N 3.41Å; F224-T226 VanDerWaalsContact C-N 3.35Å; F224-T226 PolarHBondContact O-N 2.77Å; F224-A227 PolarHBondContact O-N 3.14Å; F224-V228 WeakPolarHBondContact O-CB 3.14Å; F224-V228 VanDerWaalsContact O-CG2 3.29Å; F224-V228 WeakPolarHBondContact O-CG2 3.48Å; F224-V228 PolarHBondContact O-N 3.43Å; F224-L270 HydrophobicContact CB-CD1 4.29Å; F224-L295 HydrophobicContact CD1-CD1 3.89Å; F224-L295 HydrophobicContact CD1-CG 4.17Å; F224-L295 HydrophobicContact CE1-CD1 3.83Å; F224-L295 HydrophobicContact CE1-CG 4.46Å; F224-Y299 HydrophobicContact CB-CD2 3.67Å; F224-Y299 HydrophobicContact CB-CE2 4.16Å; F224-Y299 HydrophobicContact CB-CG 4.39Å; F224-Y299 AromaticContact CD1-CD2 4Å; F224-Y299 HydrophobicContact CD1-CD2 4Å; F224-Y299 HydrophobicContact CD1-CG 4.26Å; F224-Y299 AromaticContact CD2-CD2 3.89Å; F224-Y299 HydrophobicContact CD2-CD2 3.89Å; F224-Y299 AromaticContact CG-CD2 3.57Å; F224-Y299 HydrophobicContact CG-CD2 3.57Å; F224-Y299 HydrophobicContact CG-CE2 4.41Å; F224-Y299 HydrophobicContact CG-CG 4.27Å; F224-L302 HydrophobicContact CZ-CD1 3.86Å |
| 225 | S | 88.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.5 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | L221 F222 A227 V228 V229 L263 C267 L270 | L221-S225 WeakPolarHBondContact O-CB 3.43Å; L221-S225 PolarHBondContact O-N 3.23Å; F222-S225 PolarHBondContact O-N 2.99Å; S225-A227 PolarHBondContact O-N 3.12Å; S225-V228 PolarHBondContact O-N 2.88Å; S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.06Å; S225-L263 PolarHBondContact OG-O 3.33Å; S225-C267 PolarHBondContact OG-N 3.46Å; S225-L270 VanDerWaalsContact CA-CD1 3.47Å |
| 226 | T | 88.4 | Confident | 79.9 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.9 | 49 | 0 | 0 | 0 | 0 | 112.5 | F222 G223 F224 V228 V229 T230 L263 | F222-T226 WeakPolarHBondContact O-CG2 3.11Å; F222-T226 PolarHBondContact O-N 2.86Å; F222-T226 PolarHBondContact O-OG1 3.3Å; F222-T226 VanDerWaalsContact O-OG1 3.14Å; G223-T226 PolarHBondContact O-OG1 3.46Å; F224-T226 VanDerWaalsContact C-N 3.35Å; F224-T226 PolarHBondContact O-N 2.77Å; T226-V228 PolarHBondContact O-N 3.06Å; T226-V229 PolarHBondContact O-N 2.93Å; T226-T230 WeakPolarHBondContact O-CG2 3.44Å; T226-T230 PolarHBondContact O-N 2.91Å; T226-T230 PolarHBondContact O-OG1 3.08Å; T226-L263 HydrophobicContact CG2-CD2 3.78Å |
| 227 | A | 87.6 | Confident | 78.1 | Confident | 37 Ų | 37 | 56 Ų | 56 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -37.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G223 F224 S225 T230 L231 L295 | G223-A227 PolarHBondContact O-N 2.82Å; F224-A227 PolarHBondContact O-N 3.14Å; S225-A227 PolarHBondContact O-N 3.12Å; A227-T230 WeakPolarHBondContact CA-OG1 3.3Å; A227-T230 PolarHBondContact O-OG1 3.35Å; A227-L231 PolarHBondContact O-N 3.42Å; A227-L295 HydrophobicContact CB-CD2 3.88Å |
| 228 | V | 83.3 | Confident | 76 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.5 | -43.3 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 111 | F224 S225 T226 T230 L231 I232 T266 L270 F292 L295 | F224-V228 WeakPolarHBondContact O-CB 3.14Å; F224-V228 VanDerWaalsContact O-CG2 3.29Å; F224-V228 WeakPolarHBondContact O-CG2 3.48Å; F224-V228 PolarHBondContact O-N 3.43Å; S225-V228 PolarHBondContact O-N 2.88Å; T226-V228 PolarHBondContact O-N 3.06Å; V228-T230 VanDerWaalsContact C-N 3.35Å; V228-T230 PolarHBondContact O-N 3.41Å; V228-L231 WeakPolarHBondContact O-CB 3.43Å; V228-L231 PolarHBondContact O-N 2.82Å; V228-L231 VanDerWaalsContact O-N 3.15Å; V228-I232 HydrophobicContact CG1-CD1 3.79Å; V228-I232 WeakPolarHBondContact O-CD1 3.19Å; V228-I232 WeakPolarHBondContact O-CG1 3.4Å; V228-I232 PolarHBondContact O-N 3.24Å; V228-T266 HydrophobicContact CB-CG2 3.76Å; V228-T266 HydrophobicContact CG1-CG2 3.46Å; V228-T266 VanDerWaalsContact CG1-CG2 3.46Å; V228-L270 HydrophobicContact CG2-CD1 4.42Å; V228-F292 HydrophobicContact CG1-CD2 4.18Å; V228-F292 HydrophobicContact CG1-CE2 3.59Å; V228-L295 HydrophobicContact CG2-CD2 3.69Å; V228-L295 HydrophobicContact CG2-CG 4.46Å |
| 229 | V | 81.8 | Confident | 74 | Confident | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.1 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | S225 T226 L231 I232 E233 L263 T266 | S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.06Å; T226-V229 PolarHBondContact O-N 2.93Å; V229-L231 PolarHBondContact O-N 3.05Å; V229-I232 WeakPolarHBondContact O-CB 3.48Å; V229-I232 PolarHBondContact O-N 2.6Å; V229-E233 HydrophobicContact CG1-CG 4.33Å; V229-E233 PolarHBondContact O-N 2.64Å; V229-L263 HydrophobicContact CB-CD2 3.75Å; V229-L263 HydrophobicContact CG1-CD2 4Å; V229-L263 HydrophobicContact CG1-CG 4.35Å; V229-L263 HydrophobicContact CG2-CD2 3.68Å; V229-L263 HydrophobicContact CG2-CG 4.3Å; V229-T266 HydrophobicContact CG2-CG2 3.87Å; V229-T266 WeakPolarHBondContact CG2-OG1 3.37Å |
| 230 | T | 81.9 | Confident | 71.8 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.9 | -30.5 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | T226 A227 V228 I232 | T226-T230 WeakPolarHBondContact O-CG2 3.44Å; T226-T230 PolarHBondContact O-N 2.91Å; T226-T230 PolarHBondContact O-OG1 3.08Å; A227-T230 WeakPolarHBondContact CA-OG1 3.3Å; A227-T230 PolarHBondContact O-OG1 3.35Å; V228-T230 VanDerWaalsContact C-N 3.35Å; V228-T230 PolarHBondContact O-N 3.41Å; T230-I232 VanDerWaalsContact C-N 3.31Å |
| 231 | L | 78.1 | Confident | 69.7 | Low | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -75.5 | -22.7 | 176.1 | -159.8 | 68.7 | 0 | 0 | 0 | 112.5 | A227 V228 V229 F288 V291 F292 | A227-L231 PolarHBondContact O-N 3.42Å; V228-L231 WeakPolarHBondContact O-CB 3.43Å; V228-L231 PolarHBondContact O-N 2.82Å; V228-L231 VanDerWaalsContact O-N 3.15Å; V229-L231 PolarHBondContact O-N 3.05Å; L231-F288 HydrophobicContact CD1-CB 3.92Å; L231-F288 HydrophobicContact CD1-CD2 4.01Å; L231-F288 HydrophobicContact CD1-CG 4.34Å; L231-F288 HydrophobicContact CG-CB 4.45Å; L231-V291 HydrophobicContact CD1-CG1 4.5Å; L231-V291 HydrophobicContact CD2-CB 4.4Å; L231-V291 HydrophobicContact CD2-CG1 4.37Å; L231-F292 HydrophobicContact CD2-CB 3.63Å; L231-F292 HydrophobicContact CD2-CD2 4.21Å; L231-F292 HydrophobicContact CD2-CG 4.43Å |
| 232 | I | 71.4 | Confident | 67.3 | Low | 10 Ų | 10 | 75.8 Ų | 75.8 | 5% | 0.051 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -85.5 | -34.5 | -179.4 | -65.8 | 162.4 | 0 | 0 | 0 | 111.6 | V228 V229 T230 D234 G235 F282 Y286 | V228-I232 HydrophobicContact CG1-CD1 3.79Å; V228-I232 WeakPolarHBondContact O-CD1 3.19Å; V228-I232 WeakPolarHBondContact O-CG1 3.4Å; V228-I232 PolarHBondContact O-N 3.24Å; V229-I232 WeakPolarHBondContact O-CB 3.48Å; V229-I232 PolarHBondContact O-N 2.6Å; T230-I232 VanDerWaalsContact C-N 3.31Å; I232-D234 VanDerWaalsContact C-N 3.29Å; I232-D234 PolarHBondContact O-N 3.14Å; I232-G235 PolarHBondContact O-N 2.98Å; I232-F282 HydrophobicContact CD1-CE1 3.68Å; I232-F282 HydrophobicContact CD1-CZ 3.87Å; I232-F282 HydrophobicContact CG1-CE1 4.38Å; I232-Y286 HydrophobicContact CB-CE1 4.4Å; I232-Y286 HydrophobicContact CG1-CE1 4.05Å; I232-Y286 HydrophobicContact CG2-CE1 4.05Å |
| 233 | E | 63.2 | Low | 64.9 | Low | 101 Ų | 101 | 78.2 Ų | 78.2 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.5 | -26.4 | -176.8 | -77.6 | -176.5 | 166 | 0 | 0 | 113.9 | V229 G235 | V229-E233 HydrophobicContact CG1-CG 4.33Å; V229-E233 PolarHBondContact O-N 2.64Å; E233-G235 PolarHBondContact O-N 3.01Å |
| 234 | D | 54.4 | Low | 62.2 | Low | 102 Ų | 102 | 81.9 Ų | 81.9 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -72.6 | -25.7 | -178.3 | -113.3 | -6.5 | 0 | 0 | 0 | 113.6 | I232 K236 | I232-D234 VanDerWaalsContact C-N 3.29Å; I232-D234 PolarHBondContact O-N 3.14Å; D234-K236 VanDerWaalsContact C-N 3.29Å; D234-K236 PolarHBondContact O-N 3.03Å |
| 235 | G | 52.7 | Low | 60.1 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 45% | 0.454 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -77.5 | -4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I232 E233 D287 | I232-G235 PolarHBondContact O-N 2.98Å; E233-G235 PolarHBondContact O-N 3.01Å; G235-D287 WeakPolarHBondContact CA-OD2 3.45Å |
| 236 | K | 51.7 | Low | 58.2 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -113.2 | -12.1 | -175.2 | -156.4 | 167.8 | -178.6 | 172.6 | 0 | 114.6 | D234 N238 S259 | D234-K236 VanDerWaalsContact C-N 3.29Å; D234-K236 PolarHBondContact O-N 3.03Å; K236-N238 VanDerWaalsContact C-N 3.3Å; K236-N238 PolarHBondContact O-N 2.96Å; K236-S259 PolarHBondContact NZ-OG 2.67Å |
| 237 | N | 45.6 | Very low | 55.9 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 66% | 0.663 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -3.7 | -174.5 | -69.9 | -21.1 | 0 | 0 | 0 | 114.6 | ||
| 238 | N | 43.8 | Very low | 53.6 | Low | 151 Ų | 151 | 103.3 Ų | 103.3 | 81% | 0.807 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 22.3 | 178.7 | -73 | -15.1 | 0 | 0 | 0 | 114.8 | K236 L240 | K236-N238 VanDerWaalsContact C-N 3.3Å; K236-N238 PolarHBondContact O-N 2.96Å; N238-L240 VanDerWaalsContact C-N 3.34Å; N238-L240 PolarHBondContact O-N 3.1Å |
| 239 | S | 46.4 | Very low | 51.1 | Low | 101 Ų | 101 | 109.9 Ų | 109.9 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -89 | 78.4 | 160.7 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 240 | L | 41.8 | Very low | 48.9 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | trans | -48.7 | 136.2 | 165.2 | -79.1 | 160.5 | 0 | 0 | 0 | 109.7 | N238 V242 | N238-L240 VanDerWaalsContact C-N 3.34Å; N238-L240 PolarHBondContact O-N 3.1Å; L240-V242 PolarHBondContact O-N 3.49Å | ||
| 241 | P | 43.5 | Very low | 46.7 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | trans | -73.8 | 93.6 | 171 | 29.8 | -29.2 | 0 | 0 | 0 | 108 | E243 | P241-E243 PolarHBondContact O-N 2.73Š| ||
| 242 | V | 39.7 | Very low | 44.5 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -77.4 | 115.8 | 166.6 | 175 | 0 | 0 | 0 | 0 | 107.6 | L240 | L240-V242 PolarHBondContact O-N 3.49Š| ||
| 243 | E | 40.6 | Very low | 42.9 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -62.4 | 140.3 | 174.9 | -70.1 | -177.3 | 137.5 | 0 | 0 | 112.5 | P241 | P241-E243 PolarHBondContact O-N 2.73Š| ||
| 244 | S | 34.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 82 | 155.6 | 153.5 | 75.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 245 | P | 43.9 | Very low | 40.6 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -122.5 | -179.7 | -31.9 | 33.6 | -14.3 | 0 | 0 | 0 | 112.4 | H247 | P245-H247 PolarHBondContact O-N 3.32Š| ||
| 246 | P | 48.3 | Very low | 39.9 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -94.2 | 106.2 | -162.5 | 34.6 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 247 | H | 39.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -145.8 | 116.1 | 162.4 | -83.8 | -56.2 | 0 | 0 | 0 | 114.7 | P245 | P245-H247 PolarHBondContact O-N 3.32Š| ||
| 248 | K | 40.3 | Very low | 39.4 | Very low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | 53.3 | 94.9 | 148.9 | -70.7 | 176.5 | 176 | 171.8 | 0 | 117.8 | ||||
| 249 | C | 29.5 | Very low | 39.7 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 96% | 0.959 | 78% | 0.779 | S | S | * | * | trans | -108.1 | 107.8 | 152.2 | -73.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 250 | R | 36 | Very low | 40 | Very low | 251 Ų | 251 | 132 Ų | 132 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | trans | -103.3 | 117.2 | 167 | -172.2 | 179.7 | -170.1 | 179.8 | 2.8 | 106.8 | ||||
| 251 | G | 36.7 | Very low | 40.9 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 74.6 | 88.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 252 | S | 31.9 | Very low | 42.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -169.6 | 140.7 | 130.3 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | C254 | S252-C254 PolarHBondContact O-N 3.1Š| ||
| 253 | A | 36.1 | Very low | 44.3 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | trans | -57.2 | 103.8 | -170 | 0 | 0 | 0 | 0 | 0 | 112.6 | R255 | A253-R255 PolarHBondContact O-N 2.99Š| ||
| 254 | C | 35.6 | Very low | 46.3 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | trans | -65.7 | 89.4 | 157.7 | -61.9 | 0 | 0 | 0 | 0 | 107.5 | S252 P256 | S252-C254 PolarHBondContact O-N 3.1Å; C254-P256 WeakPolarHBondContact O-CD 3.47Å | ||
| 255 | R | 35.4 | Very low | 48.5 | Very low | 226 Ų | 226 | 118 Ų | 118 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -58.5 | 122.2 | 154.8 | -76.8 | -176.8 | 179.3 | -178.9 | 0.2 | 105.6 | A253 G257 | A253-R255 PolarHBondContact O-N 2.99Å; R255-G257 PolarHBondContact O-N 3.4Å | ||
| 256 | P | 36.9 | Very low | 50.4 | Low | 114 Ų | 114 | 112.8 Ų | 112.8 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | trans | -61.6 | 112.7 | 168.3 | 25.2 | -29.1 | 0 | 0 | 0 | 106 | C254 N258 | C254-P256 WeakPolarHBondContact O-CD 3.47Å; P256-N258 PolarHBondContact O-N 3.05Å | ||
| 257 | G | 41.6 | Very low | 52.3 | Low | 71 Ų | 71 | 108.4 Ų | 108.4 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | trans | -55.9 | 113.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | R255 S259 | R255-G257 PolarHBondContact O-N 3.4Å; G257-S259 PolarHBondContact O-N 3.26Å | ||
| 258 | N | 45.8 | Very low | 54.4 | Low | 112 Ų | 112 | 103.6 Ų | 103.6 | 60% | 0.599 | 58% | 0.584 | S | S | * | * | trans | -51.8 | 108.9 | 178.4 | -87.1 | -0.4 | 0 | 0 | 0 | 108.4 | P256 Y260 | P256-N258 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact C-N 3.28Å; N258-Y260 HydrophobicContact CB-CD2 3.66Å; N258-Y260 HydrophobicContact CB-CE2 3.24Å; N258-Y260 PolarHBondContact ND2-OH 3.19Å; N258-Y260 VanDerWaalsContact ND2-OH 3.09Å; N258-Y260 WeakPolarHBondContact O-CD2 3.08Å; N258-Y260 PolarHBondContact O-N 3.48Å | ||
| 259 | S | 49.9 | Very low | 56.4 | Low | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 55% | 0.551 | S | S | . | * | trans | -75.3 | 85.1 | 176.2 | -164.9 | 0 | 0 | 0 | 0 | 108 | K236 G257 N261 | K236-S259 PolarHBondContact NZ-OG 2.67Å; G257-S259 PolarHBondContact O-N 3.26Å; S259-N261 PolarHBondContact O-N 3.14Å | ||
| 260 | Y | 52.7 | Low | 59 | Low | 87 Ų | 87 | 89.4 Ų | 89.4 | 34% | 0.341 | 51% | 0.507 | S | S | . | . | trans | -72.6 | 34.9 | 175.9 | -71.6 | -80.2 | 0 | 0 | 0 | 113.2 | N258 S262 S265 E269 F282 | N258-Y260 VanDerWaalsContact C-N 3.28Å; N258-Y260 HydrophobicContact CB-CD2 3.66Å; N258-Y260 HydrophobicContact CB-CE2 3.24Å; N258-Y260 PolarHBondContact ND2-OH 3.19Å; N258-Y260 VanDerWaalsContact ND2-OH 3.09Å; N258-Y260 WeakPolarHBondContact O-CD2 3.08Å; N258-Y260 PolarHBondContact O-N 3.48Å; Y260-S262 PolarHBondContact O-N 3.33Å; Y260-S262 VanDerWaalsContact O-N 3.1Å; Y260-S265 PolarHBondContact O-OG 2.79Å; Y260-S265 VanDerWaalsContact O-OG 3.13Å; Y260-E269 WeakPolarHBondContact CD1-OE1 3.49Å; Y260-E269 WeakPolarHBondContact CE1-OE1 3.49Å; Y260-F282 HydrophobicContact CD2-CD2 4.2Å; Y260-F282 AromaticContact CD2-CE2 3.71Å; Y260-F282 HydrophobicContact CD2-CE2 3.71Å; Y260-F282 AromaticContact CG-CE2 3.89Å; Y260-F282 HydrophobicContact CG-CE2 3.89Å | ||
| 261 | N | 60 | Low | 61.4 | Low | 65 Ų | 65 | 81.5 Ų | 81.5 | 35% | 0.348 | 48% | 0.48 | S | S | . | . | trans | -89.9 | 36.4 | -171.4 | -66.7 | 21.3 | 0 | 0 | 0 | 112.4 | S259 | S259-N261 PolarHBondContact O-N 3.14Š| ||
| 262 | S | 72.7 | Confident | 63.8 | Low | 55 Ų | 55 | 82.6 Ų | 82.6 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -121.3 | 136.3 | 176.6 | 76.6 | 0 | 0 | 0 | 0 | 110.5 | Y260 Y264 S265 T266 | Y260-S262 PolarHBondContact O-N 3.33Å; Y260-S262 VanDerWaalsContact O-N 3.1Å; S262-Y264 PolarHBondContact O-N 2.74Å; S262-S265 PolarHBondContact N-OG 2.99Å; S262-S265 PolarHBondContact O-N 3.14Å; S262-S265 PolarHBondContact O-OG 3.16Å; S262-S265 WeakPolarHBondContact OG-CB 3.39Å; S262-S265 PolarHBondContact OG-N 3.46Å; S262-S265 VanDerWaalsContact OG-N 3.12Å; S262-S265 PolarHBondContact OG-OG 3.47Å; S262-T266 PolarHBondContact O-N 3.1Å |
| 263 | L | 82 | Confident | 66.2 | Low | 94 Ų | 94 | 79 Ų | 79 | 49% | 0.492 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -50.5 | -30.5 | 171.9 | -73.2 | 165.6 | 0 | 0 | 0 | 112.7 | S225 T226 V229 C267 | S225-L263 PolarHBondContact OG-O 3.33Å; T226-L263 HydrophobicContact CG2-CD2 3.78Å; V229-L263 HydrophobicContact CB-CD2 3.75Å; V229-L263 HydrophobicContact CG1-CD2 4Å; V229-L263 HydrophobicContact CG1-CG 4.35Å; V229-L263 HydrophobicContact CG2-CD2 3.68Å; V229-L263 HydrophobicContact CG2-CG 4.3Å; L263-C267 WeakPolarHBondContact O-CB 3.45Å; L263-C267 PolarHBondContact O-N 3.44Å |
| 264 | Y | 83.6 | Confident | 68.4 | Low | 169 Ų | 169 | 76.3 Ų | 76.3 | 66% | 0.663 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.9 | -45.5 | 176.1 | 178.8 | -106.6 | 0 | 0 | 0 | 112.9 | S262 C267 L268 | S262-Y264 PolarHBondContact O-N 2.74Å; Y264-C267 WeakPolarHBondContact O-CB 3.1Å; Y264-C267 PolarHBondContact O-N 3.46Å; Y264-L268 HydrophobicContact CD1-CD1 4.14Å; Y264-L268 HydrophobicContact CE1-CD1 3.49Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.49Å; Y264-L268 HydrophobicContact CE1-CG 4.29Å; Y264-L268 HydrophobicContact CE2-CD1 4.25Å; Y264-L268 HydrophobicContact CE2-CG 4.28Å; Y264-L268 WeakPolarHBondContact O-CG 2.9Å; Y264-L268 PolarHBondContact O-N 3.32Å |
| 265 | S | 80.7 | Confident | 70.7 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 179.1 | 46.1 | 0 | 0 | 0 | 0 | 112 | Y260 S262 C267 L268 E269 | Y260-S265 PolarHBondContact O-OG 2.79Å; Y260-S265 VanDerWaalsContact O-OG 3.13Å; S262-S265 PolarHBondContact N-OG 2.99Å; S262-S265 PolarHBondContact O-N 3.14Å; S262-S265 PolarHBondContact O-OG 3.16Å; S262-S265 WeakPolarHBondContact OG-CB 3.39Å; S262-S265 PolarHBondContact OG-N 3.46Å; S262-S265 VanDerWaalsContact OG-N 3.12Å; S262-S265 PolarHBondContact OG-OG 3.47Å; S265-C267 VanDerWaalsContact C-N 3.32Å; S265-C267 PolarHBondContact O-N 2.81Å; S265-L268 PolarHBondContact O-N 3.31Å; S265-E269 WeakPolarHBondContact O-CG 3.32Å; S265-E269 PolarHBondContact O-N 3.17Å |
| 266 | T | 83.7 | Confident | 72.7 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | V228 V229 S262 L268 E269 L270 | V228-T266 HydrophobicContact CB-CG2 3.76Å; V228-T266 HydrophobicContact CG1-CG2 3.46Å; V228-T266 VanDerWaalsContact CG1-CG2 3.46Å; V229-T266 HydrophobicContact CG2-CG2 3.87Å; V229-T266 WeakPolarHBondContact CG2-OG1 3.37Å; S262-T266 PolarHBondContact O-N 3.1Å; T266-L268 PolarHBondContact O-N 3.43Å; T266-E269 PolarHBondContact O-N 3.08Å; T266-L270 HydrophobicContact CG2-CD1 4.34Å; T266-L270 WeakPolarHBondContact O-CG 3.44Å; T266-L270 PolarHBondContact O-N 3.36Å |
| 267 | C | 87.4 | Confident | 74.7 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | L221 S225 L263 Y264 S265 F271 | L221-C267 WeakPolarHBondContact CD2-SG 3.16Å; L221-C267 VanDerWaalsContact CG-SG 3.6Å; S225-C267 PolarHBondContact OG-N 3.46Å; L263-C267 WeakPolarHBondContact O-CB 3.45Å; L263-C267 PolarHBondContact O-N 3.44Å; Y264-C267 WeakPolarHBondContact O-CB 3.1Å; Y264-C267 PolarHBondContact O-N 3.46Å; S265-C267 VanDerWaalsContact C-N 3.32Å; S265-C267 PolarHBondContact O-N 2.81Å; C267-F271 WeakPolarHBondContact O-CB 3.21Å; C267-F271 PolarHBondContact O-N 3.44Å |
| 268 | L | 84.2 | Confident | 76.2 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 176.2 | -73 | -179.7 | 0 | 0 | 0 | 112.9 | Y264 S265 T266 F271 K272 | Y264-L268 HydrophobicContact CD1-CD1 4.14Å; Y264-L268 HydrophobicContact CE1-CD1 3.49Å; Y264-L268 VanDerWaalsContact CE1-CD1 3.49Å; Y264-L268 HydrophobicContact CE1-CG 4.29Å; Y264-L268 HydrophobicContact CE2-CD1 4.25Å; Y264-L268 HydrophobicContact CE2-CG 4.28Å; Y264-L268 WeakPolarHBondContact O-CG 2.9Å; Y264-L268 PolarHBondContact O-N 3.32Å; S265-L268 PolarHBondContact O-N 3.31Å; T266-L268 PolarHBondContact O-N 3.43Å; L268-F271 PolarHBondContact O-N 3.44Å; L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 2.91Å |
| 269 | E | 81.1 | Confident | 77.4 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 176.9 | -73.6 | 173.3 | -177.8 | 0 | 0 | 111.5 | Y260 S265 T266 F271 K272 F273 | Y260-E269 WeakPolarHBondContact CD1-OE1 3.49Å; Y260-E269 WeakPolarHBondContact CE1-OE1 3.49Å; S265-E269 WeakPolarHBondContact O-CG 3.32Å; S265-E269 PolarHBondContact O-N 3.17Å; T266-E269 PolarHBondContact O-N 3.08Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 3.3Å; E269-K272 WeakPolarHBondContact O-CB 3.06Å; E269-K272 PolarHBondContact O-N 3.49Å; E269-K272 VanDerWaalsContact O-N 3.09Å; E269-F273 WeakPolarHBondContact O-CD2 3.43Å; E269-F273 PolarHBondContact O-N 3.36Å |
| 270 | L | 85.8 | Confident | 78.2 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 173.3 | -71.6 | 174.2 | 0 | 0 | 0 | 111.7 | L221 F224 S225 V228 T266 K272 F273 T274 L296 Y299 | L221-L270 HydrophobicContact CD1-CB 3.8Å; F224-L270 HydrophobicContact CB-CD1 4.29Å; S225-L270 VanDerWaalsContact CA-CD1 3.47Å; V228-L270 HydrophobicContact CG2-CD1 4.42Å; T266-L270 HydrophobicContact CG2-CD1 4.34Å; T266-L270 WeakPolarHBondContact O-CG 3.44Å; T266-L270 PolarHBondContact O-N 3.36Å; L270-K272 PolarHBondContact O-N 3.49Å; L270-F273 WeakPolarHBondContact O-CB 3.27Å; L270-F273 PolarHBondContact O-N 2.74Å; L270-T274 PolarHBondContact O-N 2.84Å; L270-L296 HydrophobicContact CD2-CD1 3.78Å; L270-Y299 HydrophobicContact CB-CE1 3.94Å; L270-Y299 HydrophobicContact CD2-CD1 3.82Å; L270-Y299 HydrophobicContact CD2-CE1 3.87Å; L270-Y299 HydrophobicContact CD2-CG 4.36Å; L270-Y299 HydrophobicContact CG-CE1 4.46Å; L270-Y299 PolarHBondContact O-OH 3.1Å |
| 271 | F | 86.5 | Confident | 78.7 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 173.2 | -179.8 | -99.3 | 0 | 0 | 0 | 112.2 | Y217 C267 L268 E269 F273 T274 I275 | Y217-F271 HydrophobicContact CE1-CD2 4.06Å; Y217-F271 HydrophobicContact CE1-CE2 4.36Å; Y217-F271 VanDerWaalsContact OH-CD2 3.23Å; Y217-F271 WeakPolarHBondContact OH-CD2 3.39Å; C267-F271 WeakPolarHBondContact O-CB 3.21Å; C267-F271 PolarHBondContact O-N 3.44Å; L268-F271 PolarHBondContact O-N 3.44Å; E269-F271 VanDerWaalsContact C-N 3.28Å; E269-F271 PolarHBondContact O-N 3.3Å; F271-F273 VanDerWaalsContact C-N 3.3Å; F271-F273 PolarHBondContact O-N 3.41Å; F271-T274 PolarHBondContact O-N 3.09Å; F271-T274 VanDerWaalsContact O-N 3.09Å; F271-T274 PolarHBondContact O-OG1 2.98Å; F271-I275 HydrophobicContact CD1-CD1 4.06Å; F271-I275 HydrophobicContact CE1-CD1 3.36Å; F271-I275 HydrophobicContact CE1-CG1 4.43Å; F271-I275 HydrophobicContact CE2-CD1 4.4Å; F271-I275 HydrophobicContact CZ-CD1 3.56Å; F271-I275 HydrophobicContact CZ-CG1 4.42Å; F271-I275 PolarHBondContact O-N 3.48Å |
| 272 | K | 85.8 | Confident | 78.6 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 44% | 0.435 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 174.2 | -71.6 | 172.1 | -176.8 | -179.4 | 0 | 111.9 | L268 E269 L270 T274 I275 G276 M277 G278 | L268-K272 WeakPolarHBondContact O-CG 3.46Å; L268-K272 PolarHBondContact O-N 2.91Å; E269-K272 WeakPolarHBondContact O-CB 3.06Å; E269-K272 PolarHBondContact O-N 3.49Å; E269-K272 VanDerWaalsContact O-N 3.09Å; L270-K272 PolarHBondContact O-N 3.49Å; K272-T274 VanDerWaalsContact C-N 3.3Å; K272-T274 PolarHBondContact O-N 2.63Å; K272-I275 PolarHBondContact O-N 3.05Å; K272-G276 PolarHBondContact O-N 3.46Å; K272-G276 VanDerWaalsContact O-N 3.14Å; K272-M277 PolarHBondContact O-N 3.2Å; K272-G278 PolarHBondContact O-N 3.22Å |
| 273 | F | 82.6 | Confident | 78.1 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 174.1 | -80.3 | -69.7 | 0 | 0 | 0 | 112.3 | E269 L270 F271 I275 G276 G278 D279 L280 L296 | E269-F273 WeakPolarHBondContact O-CD2 3.43Å; E269-F273 PolarHBondContact O-N 3.36Å; L270-F273 WeakPolarHBondContact O-CB 3.27Å; L270-F273 PolarHBondContact O-N 2.74Å; F271-F273 VanDerWaalsContact C-N 3.3Å; F271-F273 PolarHBondContact O-N 3.41Å; F273-I275 VanDerWaalsContact C-N 3.29Å; F273-I275 PolarHBondContact O-N 3.34Å; F273-G276 PolarHBondContact O-N 2.91Å; F273-G276 VanDerWaalsContact O-N 3.11Å; F273-G278 VanDerWaalsContact CE1-C 3.47Å; F273-G278 WeakPolarHBondContact CE1-O 3.2Å; F273-D279 WeakPolarHBondContact CZ-O 3.07Å; F273-L280 HydrophobicContact CE1-CD2 3.97Å; F273-L280 HydrophobicContact CE1-CG 4.21Å; F273-L280 HydrophobicContact CZ-CD2 4.1Å; F273-L280 HydrophobicContact CZ-CG 4.48Å; F273-L296 HydrophobicContact CD2-CD1 3.9Å; F273-L296 HydrophobicContact CE1-CD2 4.22Å; F273-L296 HydrophobicContact CE2-CD1 4.12Å; F273-L296 HydrophobicContact CE2-CD2 4.39Å; F273-L296 HydrophobicContact CG-CD1 4.17Å; F273-L296 HydrophobicContact CZ-CD2 4.08Å |
| 274 | T | 83.4 | Confident | 77 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.8 | -24.3 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | Y217 L270 F271 K272 Y299 T303 | Y217-T274 HydrophobicContact CE2-CG2 3.97Å; Y217-T274 PolarHBondContact OH-OG1 2.9Å; L270-T274 PolarHBondContact O-N 2.84Å; F271-T274 PolarHBondContact O-N 3.09Å; F271-T274 VanDerWaalsContact O-N 3.09Å; F271-T274 PolarHBondContact O-OG1 2.98Å; K272-T274 VanDerWaalsContact C-N 3.3Å; K272-T274 PolarHBondContact O-N 2.63Å; T274-Y299 HydrophobicContact CG2-CE1 3.49Å; T274-Y299 VanDerWaalsContact CG2-CE1 3.49Å; T274-Y299 VanDerWaalsContact CG2-CZ 3.49Å; T274-Y299 WeakPolarHBondContact CG2-OH 3.18Å; T274-T303 HydrophobicContact CG2-CG2 4.31Å |
| 275 | I | 83.5 | Confident | 75.8 | Confident | 119 Ų | 119 | 71.1 Ų | 71.1 | 61% | 0.61 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -84.5 | -20.6 | 173.6 | -64.8 | 175.1 | 0 | 0 | 0 | 111.2 | F271 K272 F273 | F271-I275 HydrophobicContact CD1-CD1 4.06Å; F271-I275 HydrophobicContact CE1-CD1 3.36Å; F271-I275 HydrophobicContact CE1-CG1 4.43Å; F271-I275 HydrophobicContact CE2-CD1 4.4Å; F271-I275 HydrophobicContact CZ-CD1 3.56Å; F271-I275 HydrophobicContact CZ-CG1 4.42Å; F271-I275 PolarHBondContact O-N 3.48Å; K272-I275 PolarHBondContact O-N 3.05Å; F273-I275 VanDerWaalsContact C-N 3.29Å; F273-I275 PolarHBondContact O-N 3.34Å |
| 276 | G | 77.7 | Confident | 75.1 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 73% | 0.732 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 14.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K272 F273 | K272-G276 PolarHBondContact O-N 3.46Å; K272-G276 VanDerWaalsContact O-N 3.14Å; F273-G276 PolarHBondContact O-N 2.91Å; F273-G276 VanDerWaalsContact O-N 3.11Å |
| 277 | M | 78.1 | Confident | 74.1 | Confident | 143 Ų | 143 | 78 Ų | 78 | 70% | 0.704 | 41% | 0.41 | S | S | * | . | trans | -105.5 | 19 | 176.2 | -161.4 | -167.3 | 169.6 | 0 | 0 | 112.1 | K272 | K272-M277 PolarHBondContact O-N 3.2Š| ||
| 278 | G | 73.3 | Confident | 73.4 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 22% | 0.216 | 43% | 0.428 | C | S | . | . | trans | -85.1 | 125.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K272 F273 | K272-G278 PolarHBondContact O-N 3.22Å; F273-G278 VanDerWaalsContact CE1-C 3.47Å; F273-G278 WeakPolarHBondContact CE1-O 3.2Å | ||
| 279 | D | 71 | Confident | 72.9 | Confident | 128 Ų | 128 | 83.6 Ų | 83.6 | 68% | 0.684 | 43% | 0.43 | S | S | * | . | trans | -90 | 130.6 | 174.8 | -66.9 | -36.5 | 0 | 0 | 0 | 110.5 | F273 E281 | F273-D279 WeakPolarHBondContact CZ-O 3.07Å; D279-E281 PolarHBondContact O-N 2.74Å | ||
| 280 | L | 66.6 | Low | 72.8 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 58% | 0.576 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -78.8 | 0.2 | 177.8 | -70.4 | 163.8 | 0 | 0 | 0 | 113.1 | F273 F282 T283 L296 | F273-L280 HydrophobicContact CE1-CD2 3.97Å; F273-L280 HydrophobicContact CE1-CG 4.21Å; F273-L280 HydrophobicContact CZ-CD2 4.1Å; F273-L280 HydrophobicContact CZ-CG 4.48Å; L280-F282 PolarHBondContact O-N 3.15Å; L280-F282 VanDerWaalsContact O-N 3.14Å; L280-T283 VanDerWaalsContact O-CB 3.25Å; L280-T283 WeakPolarHBondContact O-CB 3.42Å; L280-T283 PolarHBondContact O-N 3.21Å; L280-T283 PolarHBondContact O-OG1 3.38Å; L280-L296 HydrophobicContact CD2-CD2 3.65Å |
| 281 | E | 62.2 | Low | 72.7 | Confident | 161 Ų | 161 | 88.7 Ų | 88.7 | 75% | 0.752 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.1 | -175.4 | -158.3 | 176.2 | -178.3 | 0 | 0 | 112.9 | D279 T283 | D279-E281 PolarHBondContact O-N 2.74Å; E281-T283 PolarHBondContact O-N 3.1Å |
| 282 | F | 59.8 | Low | 72.5 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 16% | 0.162 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -66.6 | -20 | 172.8 | -171.8 | -113.1 | 0 | 0 | 0 | 113.3 | I232 Y260 L280 E284 Y286 F292 | I232-F282 HydrophobicContact CD1-CE1 3.68Å; I232-F282 HydrophobicContact CD1-CZ 3.87Å; I232-F282 HydrophobicContact CG1-CE1 4.38Å; Y260-F282 HydrophobicContact CD2-CD2 4.2Å; Y260-F282 AromaticContact CD2-CE2 3.71Å; Y260-F282 HydrophobicContact CD2-CE2 3.71Å; Y260-F282 AromaticContact CG-CE2 3.89Å; Y260-F282 HydrophobicContact CG-CE2 3.89Å; L280-F282 PolarHBondContact O-N 3.15Å; L280-F282 VanDerWaalsContact O-N 3.14Å; F282-E284 VanDerWaalsContact C-N 3.3Å; F282-E284 PolarHBondContact O-N 3.01Å; F282-Y286 AromaticContact CD1-CE2 3.77Å; F282-Y286 HydrophobicContact CD1-CE2 3.77Å; F282-Y286 AromaticContact CE1-CE2 3.74Å; F282-Y286 HydrophobicContact CE1-CE2 3.74Å; F282-Y286 AromaticContact CE1-CZ 3.7Å; F282-Y286 WeakPolarHBondContact CE1-OH 3.35Å; F282-Y286 WeakPolarHBondContact CE2-OH 3.29Å; F282-Y286 HydrophobicContact CG-CE2 4.33Å; F282-Y286 HydrophobicContact CZ-CE2 4.28Å; F282-Y286 AromaticContact CZ-CZ 3.78Å; F282-Y286 WeakPolarHBondContact CZ-OH 3.5Å; F282-Y286 WeakPolarHBondContact O-CE2 3.02Å; F282-F292 HydrophobicContact CD1-CZ 4.22Å |
| 283 | T | 60.9 | Low | 72.3 | Confident | 9 Ų | 9 | 84 Ų | 84 | 6% | 0.055 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -80.9 | 2.2 | -166.4 | -34.1 | 0 | 0 | 0 | 0 | 114.9 | L280 E281 K289 F292 I293 | L280-T283 VanDerWaalsContact O-CB 3.25Å; L280-T283 WeakPolarHBondContact O-CB 3.42Å; L280-T283 PolarHBondContact O-N 3.21Å; L280-T283 PolarHBondContact O-OG1 3.38Å; E281-T283 PolarHBondContact O-N 3.1Å; T283-K289 HydrophobicContact CG2-CG 4.35Å; T283-K289 WeakPolarHBondContact O-CE 3.3Å; T283-F292 HydrophobicContact CG2-CD1 3.42Å; T283-F292 VanDerWaalsContact CG2-CD1 3.42Å; T283-F292 HydrophobicContact CG2-CE1 3.56Å; T283-F292 HydrophobicContact CG2-CG 4.5Å; T283-I293 HydrophobicContact CG2-CD1 4.25Å; T283-I293 HydrophobicContact CG2-CG1 3.85Å |
| 284 | E | 59.3 | Low | 72.5 | Confident | 145 Ų | 145 | 87.6 Ų | 87.6 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -87.1 | -13.2 | -171.2 | -68.6 | -164.2 | 153.3 | 0 | 0 | 115.2 | F282 | F282-E284 VanDerWaalsContact C-N 3.3Å; F282-E284 PolarHBondContact O-N 3.01Å |
| 285 | N | 57.6 | Low | 72.6 | Confident | 139 Ų | 139 | 88 Ų | 88 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -116.8 | 29.6 | -168 | -65.2 | -42.1 | 0 | 0 | 0 | 115.9 | ||
| 286 | Y | 67.3 | Low | 72.6 | Confident | 44 Ų | 44 | 83 Ų | 83 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | trans | -124 | 140.1 | -173.9 | -57.3 | -58.9 | 0 | 0 | 0 | 115.4 | I232 F282 F288 K289 | I232-Y286 HydrophobicContact CB-CE1 4.4Å; I232-Y286 HydrophobicContact CG1-CE1 4.05Å; I232-Y286 HydrophobicContact CG2-CE1 4.05Å; F282-Y286 AromaticContact CD1-CE2 3.77Å; F282-Y286 HydrophobicContact CD1-CE2 3.77Å; F282-Y286 AromaticContact CE1-CE2 3.74Å; F282-Y286 HydrophobicContact CE1-CE2 3.74Å; F282-Y286 AromaticContact CE1-CZ 3.7Å; F282-Y286 WeakPolarHBondContact CE1-OH 3.35Å; F282-Y286 WeakPolarHBondContact CE2-OH 3.29Å; F282-Y286 HydrophobicContact CG-CE2 4.33Å; F282-Y286 HydrophobicContact CZ-CE2 4.28Å; F282-Y286 AromaticContact CZ-CZ 3.78Å; F282-Y286 WeakPolarHBondContact CZ-OH 3.5Å; F282-Y286 WeakPolarHBondContact O-CE2 3.02Å; Y286-F288 VanDerWaalsContact C-N 3.31Å; Y286-F288 PolarHBondContact O-N 3.3Å; Y286-K289 PolarHBondContact O-N 2.84Å | ||
| 287 | D | 62.5 | Low | 73.1 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.7 | -177.1 | -62.2 | -41.2 | 0 | 0 | 0 | 112.9 | G235 | G235-D287 WeakPolarHBondContact CA-OD2 3.45Š|
| 288 | F | 72 | Confident | 73.5 | Confident | 112 Ų | 112 | 79.3 Ų | 79.3 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 52.6 | 179.4 | -59 | -69.4 | 0 | 0 | 0 | 112.6 | L231 Y286 A290 V291 F292 | L231-F288 HydrophobicContact CD1-CB 3.92Å; L231-F288 HydrophobicContact CD1-CD2 4.01Å; L231-F288 HydrophobicContact CD1-CG 4.34Å; L231-F288 HydrophobicContact CG-CB 4.45Å; Y286-F288 VanDerWaalsContact C-N 3.31Å; Y286-F288 PolarHBondContact O-N 3.3Å; F288-A290 PolarHBondContact O-N 3.09Å; F288-A290 VanDerWaalsContact O-N 3.14Å; F288-V291 HydrophobicContact CB-CB 4.2Å; F288-V291 HydrophobicContact CB-CG2 4.25Å; F288-V291 PolarHBondContact O-N 2.79Å; F288-F292 PolarHBondContact O-N 3.48Å; F288-F292 VanDerWaalsContact O-N 3.09Å |
| 289 | K | 73.7 | Confident | 74.3 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -49.5 | -40.2 | -179.5 | -172.4 | 172.8 | -174.6 | 172.6 | 0 | 113.8 | T283 Y286 F292 I293 | T283-K289 HydrophobicContact CG2-CG 4.35Å; T283-K289 WeakPolarHBondContact O-CE 3.3Å; Y286-K289 PolarHBondContact O-N 2.84Å; K289-F292 PolarHBondContact O-N 2.96Å; K289-I293 HydrophobicContact CG-CD1 3.88Å; K289-I293 VanDerWaalsContact O-CG1 3.29Å; K289-I293 WeakPolarHBondContact O-CG1 3.19Å; K289-I293 PolarHBondContact O-N 2.76Å |
| 290 | A | 79.1 | Confident | 75 | Confident | 68 Ų | 68 | 75 Ų | 75 | 56% | 0.562 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F288 F292 I293 I294 | F288-A290 PolarHBondContact O-N 3.09Å; F288-A290 VanDerWaalsContact O-N 3.14Å; A290-F292 VanDerWaalsContact C-N 3.34Å; A290-I293 PolarHBondContact O-N 3.43Å; A290-I294 WeakPolarHBondContact O-CB 3.14Å; A290-I294 WeakPolarHBondContact O-CD1 3.19Å; A290-I294 VanDerWaalsContact O-CG1 3.23Å; A290-I294 WeakPolarHBondContact O-CG1 3.22Å; A290-I294 PolarHBondContact O-N 3.47Å |
| 291 | V | 83.4 | Confident | 76 | Confident | 80 Ų | 80 | 73.7 Ų | 73.7 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | L231 F288 I294 L295 | L231-V291 HydrophobicContact CD1-CG1 4.5Å; L231-V291 HydrophobicContact CD2-CB 4.4Å; L231-V291 HydrophobicContact CD2-CG1 4.37Å; F288-V291 HydrophobicContact CB-CB 4.2Å; F288-V291 HydrophobicContact CB-CG2 4.25Å; F288-V291 PolarHBondContact O-N 2.79Å; V291-I294 PolarHBondContact O-N 2.99Å; V291-L295 VanDerWaalsContact O-CB 3.28Å; V291-L295 WeakPolarHBondContact O-CB 3.16Å; V291-L295 PolarHBondContact O-N 3.16Å |
| 292 | F | 81.9 | Confident | 77 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 174.9 | -178.9 | -89.2 | 0 | 0 | 0 | 112.1 | V228 L231 F282 T283 F288 K289 A290 I294 L295 L296 | V228-F292 HydrophobicContact CG1-CD2 4.18Å; V228-F292 HydrophobicContact CG1-CE2 3.59Å; L231-F292 HydrophobicContact CD2-CB 3.63Å; L231-F292 HydrophobicContact CD2-CD2 4.21Å; L231-F292 HydrophobicContact CD2-CG 4.43Å; F282-F292 HydrophobicContact CD1-CZ 4.22Å; T283-F292 HydrophobicContact CG2-CD1 3.42Å; T283-F292 VanDerWaalsContact CG2-CD1 3.42Å; T283-F292 HydrophobicContact CG2-CE1 3.56Å; T283-F292 HydrophobicContact CG2-CG 4.5Å; F288-F292 PolarHBondContact O-N 3.48Å; F288-F292 VanDerWaalsContact O-N 3.09Å; K289-F292 PolarHBondContact O-N 2.96Å; A290-F292 VanDerWaalsContact C-N 3.34Å; F292-I294 VanDerWaalsContact C-N 3.34Å; F292-I294 PolarHBondContact O-N 2.99Å; F292-L295 PolarHBondContact O-N 3.48Å; F292-L296 HydrophobicContact CE1-CD2 4.21Å; F292-L296 WeakPolarHBondContact O-CB 3.35Å; F292-L296 PolarHBondContact O-N 3.46Å |
| 293 | I | 82.4 | Confident | 78.1 | Confident | 77 Ų | 77 | 68 Ų | 68 | 40% | 0.395 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | -179 | -68.7 | 168.9 | 0 | 0 | 0 | 110.8 | T283 K289 A290 L296 L297 | T283-I293 HydrophobicContact CG2-CD1 4.25Å; T283-I293 HydrophobicContact CG2-CG1 3.85Å; K289-I293 HydrophobicContact CG-CD1 3.88Å; K289-I293 VanDerWaalsContact O-CG1 3.29Å; K289-I293 WeakPolarHBondContact O-CG1 3.19Å; K289-I293 PolarHBondContact O-N 2.76Å; A290-I293 PolarHBondContact O-N 3.43Å; I293-L296 PolarHBondContact O-N 3.31Å; I293-L297 VanDerWaalsContact O-CB 3.25Å; I293-L297 WeakPolarHBondContact O-CB 3.4Å; I293-L297 PolarHBondContact O-N 3.16Å |
| 294 | I | 86.6 | Confident | 79.1 | Confident | 116 Ų | 116 | 74.7 Ų | 74.7 | 60% | 0.595 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 177.1 | -68.5 | 164.9 | 0 | 0 | 0 | 110.7 | A290 V291 F292 L297 A298 | A290-I294 WeakPolarHBondContact O-CB 3.14Å; A290-I294 WeakPolarHBondContact O-CD1 3.19Å; A290-I294 VanDerWaalsContact O-CG1 3.23Å; A290-I294 WeakPolarHBondContact O-CG1 3.22Å; A290-I294 PolarHBondContact O-N 3.47Å; V291-I294 PolarHBondContact O-N 2.99Å; F292-I294 VanDerWaalsContact C-N 3.34Å; F292-I294 PolarHBondContact O-N 2.99Å; I294-L297 PolarHBondContact O-N 2.92Å; I294-A298 VanDerWaalsContact O-CB 3.25Å; I294-A298 WeakPolarHBondContact O-CB 3.05Å; I294-A298 PolarHBondContact O-N 3.12Å |
| 295 | L | 86.4 | Confident | 80 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 178.7 | -172.7 | 69.1 | 0 | 0 | 0 | 111.7 | F224 A227 V228 V291 F292 A298 Y299 | F224-L295 HydrophobicContact CD1-CD1 3.89Å; F224-L295 HydrophobicContact CD1-CG 4.17Å; F224-L295 HydrophobicContact CE1-CD1 3.83Å; F224-L295 HydrophobicContact CE1-CG 4.46Å; A227-L295 HydrophobicContact CB-CD2 3.88Å; V228-L295 HydrophobicContact CG2-CD2 3.69Å; V228-L295 HydrophobicContact CG2-CG 4.46Å; V291-L295 VanDerWaalsContact O-CB 3.28Å; V291-L295 WeakPolarHBondContact O-CB 3.16Å; V291-L295 PolarHBondContact O-N 3.16Å; F292-L295 PolarHBondContact O-N 3.48Å; L295-A298 PolarHBondContact O-N 3.41Å; L295-Y299 WeakPolarHBondContact O-CB 3.08Å; L295-Y299 PolarHBondContact O-N 2.6Å |
| 296 | L | 83.9 | Confident | 80.8 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 176 | -175.3 | 69.8 | 0 | 0 | 0 | 111.3 | L270 F273 L280 F292 I293 Y299 V300 | L270-L296 HydrophobicContact CD2-CD1 3.78Å; F273-L296 HydrophobicContact CD2-CD1 3.9Å; F273-L296 HydrophobicContact CE1-CD2 4.22Å; F273-L296 HydrophobicContact CE2-CD1 4.12Å; F273-L296 HydrophobicContact CE2-CD2 4.39Å; F273-L296 HydrophobicContact CG-CD1 4.17Å; F273-L296 HydrophobicContact CZ-CD2 4.08Å; L280-L296 HydrophobicContact CD2-CD2 3.65Å; F292-L296 HydrophobicContact CE1-CD2 4.21Å; F292-L296 WeakPolarHBondContact O-CB 3.35Å; F292-L296 PolarHBondContact O-N 3.46Å; I293-L296 PolarHBondContact O-N 3.31Å; L296-Y299 WeakPolarHBondContact O-CB 3.46Å; L296-Y299 PolarHBondContact O-N 3.25Å; L296-V300 WeakPolarHBondContact O-CG2 3.24Å; L296-V300 PolarHBondContact O-N 3.42Å |
| 297 | L | 86.3 | Confident | 81 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.8 | -175.4 | 68.4 | 0 | 0 | 0 | 111.1 | I293 I294 Y299 V300 I301 | I293-L297 VanDerWaalsContact O-CB 3.25Å; I293-L297 WeakPolarHBondContact O-CB 3.4Å; I293-L297 PolarHBondContact O-N 3.16Å; I294-L297 PolarHBondContact O-N 2.92Å; L297-Y299 VanDerWaalsContact C-N 3.32Å; L297-Y299 PolarHBondContact O-N 3.33Å; L297-V300 PolarHBondContact O-N 3.11Å; L297-I301 HydrophobicContact CD1-CD1 4.07Å; L297-I301 HydrophobicContact CD1-CG1 4.44Å; L297-I301 HydrophobicContact CD2-CD1 4.45Å; L297-I301 HydrophobicContact CG-CD1 3.84Å; L297-I301 WeakPolarHBondContact O-CB 3.37Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 2.97Å |
| 298 | A | 88.4 | Confident | 81.3 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I294 L295 L302 | I294-A298 VanDerWaalsContact O-CB 3.25Å; I294-A298 WeakPolarHBondContact O-CB 3.05Å; I294-A298 PolarHBondContact O-N 3.12Å; L295-A298 PolarHBondContact O-N 3.41Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 WeakPolarHBondContact O-CD1 3.42Å; A298-L302 WeakPolarHBondContact O-CG 3.16Å; A298-L302 PolarHBondContact O-N 3.42Å |
| 299 | Y | 88.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 174.1 | 171.8 | -104.9 | 0 | 0 | 0 | 111.9 | L221 F224 L270 T274 L295 L296 L297 I301 L302 T303 | L221-Y299 VanDerWaalsContact CD1-OH 3.29Å; L221-Y299 WeakPolarHBondContact CD1-OH 3.25Å; F224-Y299 HydrophobicContact CB-CD2 3.67Å; F224-Y299 HydrophobicContact CB-CE2 4.16Å; F224-Y299 HydrophobicContact CB-CG 4.39Å; F224-Y299 AromaticContact CD1-CD2 4Å; F224-Y299 HydrophobicContact CD1-CD2 4Å; F224-Y299 HydrophobicContact CD1-CG 4.26Å; F224-Y299 AromaticContact CD2-CD2 3.89Å; F224-Y299 HydrophobicContact CD2-CD2 3.89Å; F224-Y299 AromaticContact CG-CD2 3.57Å; F224-Y299 HydrophobicContact CG-CD2 3.57Å; F224-Y299 HydrophobicContact CG-CE2 4.41Å; F224-Y299 HydrophobicContact CG-CG 4.27Å; L270-Y299 HydrophobicContact CB-CE1 3.94Å; L270-Y299 HydrophobicContact CD2-CD1 3.82Å; L270-Y299 HydrophobicContact CD2-CE1 3.87Å; L270-Y299 HydrophobicContact CD2-CG 4.36Å; L270-Y299 HydrophobicContact CG-CE1 4.46Å; L270-Y299 PolarHBondContact O-OH 3.1Å; T274-Y299 HydrophobicContact CG2-CE1 3.49Å; T274-Y299 VanDerWaalsContact CG2-CE1 3.49Å; T274-Y299 VanDerWaalsContact CG2-CZ 3.49Å; T274-Y299 WeakPolarHBondContact CG2-OH 3.18Å; L295-Y299 WeakPolarHBondContact O-CB 3.08Å; L295-Y299 PolarHBondContact O-N 2.6Å; L296-Y299 WeakPolarHBondContact O-CB 3.46Å; L296-Y299 PolarHBondContact O-N 3.25Å; L297-Y299 VanDerWaalsContact C-N 3.32Å; L297-Y299 PolarHBondContact O-N 3.33Å; Y299-I301 PolarHBondContact O-N 2.97Å; Y299-L302 PolarHBondContact O-N 3.25Å; Y299-T303 HydrophobicContact CD2-CG2 3.67Å; Y299-T303 HydrophobicContact CE1-CG2 4.36Å; Y299-T303 HydrophobicContact CE2-CG2 3.37Å; Y299-T303 HydrophobicContact CG-CG2 4.3Å; Y299-T303 VanDerWaalsContact O-CB 3.25Å; Y299-T303 WeakPolarHBondContact O-CB 3.48Å; Y299-T303 VanDerWaalsContact O-CG2 3.28Å; Y299-T303 WeakPolarHBondContact O-CG2 3.34Å; Y299-T303 PolarHBondContact O-N 3.14Å; Y299-T303 PolarHBondContact O-OG1 3.48Å |
| 300 | V | 86.1 | Confident | 81.2 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | -179.5 | 172 | 0 | 0 | 0 | 0 | 111 | L296 L297 T303 Y304 | L296-V300 WeakPolarHBondContact O-CG2 3.24Å; L296-V300 PolarHBondContact O-N 3.42Å; L297-V300 PolarHBondContact O-N 3.11Å; V300-T303 PolarHBondContact O-OG1 3.09Å; V300-Y304 WeakPolarHBondContact O-CB 3.42Å; V300-Y304 PolarHBondContact O-N 3.39Å |
| 301 | I | 86.8 | Confident | 80.9 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 43% | 0.431 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -49.6 | 178.6 | -67.3 | 171 | 0 | 0 | 0 | 110.9 | L297 Y299 Y304 I305 | L297-I301 HydrophobicContact CD1-CD1 4.07Å; L297-I301 HydrophobicContact CD1-CG1 4.44Å; L297-I301 HydrophobicContact CD2-CD1 4.45Å; L297-I301 HydrophobicContact CG-CD1 3.84Å; L297-I301 WeakPolarHBondContact O-CB 3.37Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 2.97Å; Y299-I301 PolarHBondContact O-N 2.97Å; I301-Y304 PolarHBondContact O-N 3.09Å; I301-I305 HydrophobicContact CG2-CD1 3.56Å; I301-I305 HydrophobicContact CG2-CG1 4.3Å; I301-I305 WeakPolarHBondContact O-CB 3.33Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.31Å |
| 302 | L | 83.6 | Confident | 80.2 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | -179.2 | -73.2 | 170.8 | 0 | 0 | 0 | 111.3 | F224 A298 Y299 L306 | F224-L302 HydrophobicContact CZ-CD1 3.86Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 WeakPolarHBondContact O-CD1 3.42Å; A298-L302 WeakPolarHBondContact O-CG 3.16Å; A298-L302 PolarHBondContact O-N 3.42Å; Y299-L302 PolarHBondContact O-N 3.25Å; L302-L306 VanDerWaalsContact O-CB 3.27Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CD1 3.45Å; L302-L306 WeakPolarHBondContact O-CG 2.88Å; L302-L306 PolarHBondContact O-N 3.01Å |
| 303 | T | 83.4 | Confident | 79.7 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 173.6 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | T274 Y299 V300 I305 L306 L307 | T274-T303 HydrophobicContact CG2-CG2 4.31Å; Y299-T303 HydrophobicContact CD2-CG2 3.67Å; Y299-T303 HydrophobicContact CE1-CG2 4.36Å; Y299-T303 HydrophobicContact CE2-CG2 3.37Å; Y299-T303 HydrophobicContact CG-CG2 4.3Å; Y299-T303 VanDerWaalsContact O-CB 3.25Å; Y299-T303 WeakPolarHBondContact O-CB 3.48Å; Y299-T303 VanDerWaalsContact O-CG2 3.28Å; Y299-T303 WeakPolarHBondContact O-CG2 3.34Å; Y299-T303 PolarHBondContact O-N 3.14Å; Y299-T303 PolarHBondContact O-OG1 3.48Å; V300-T303 PolarHBondContact O-OG1 3.09Å; T303-I305 PolarHBondContact O-N 3.09Å; T303-L306 CarbonylContact O-C 3.51Å; T303-L306 PolarHBondContact O-N 3.42Å; T303-L306 VanDerWaalsContact O-N 3.16Å; T303-L307 WeakPolarHBondContact O-CA 3.38Å; T303-L307 WeakPolarHBondContact O-CB 3.41Å; T303-L307 WeakPolarHBondContact O-CD1 3.24Å; T303-L307 WeakPolarHBondContact O-CG 3.48Å; T303-L307 PolarHBondContact O-N 2.94Å |
| 304 | Y | 81.8 | Confident | 79 | Confident | 149 Ų | 149 | 65.4 Ų | 65.4 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.2 | -42.9 | 179.5 | -170.9 | -105.9 | 0 | 0 | 0 | 113.7 | V300 I301 L307 L308 | V300-Y304 WeakPolarHBondContact O-CB 3.42Å; V300-Y304 PolarHBondContact O-N 3.39Å; I301-Y304 PolarHBondContact O-N 3.09Å; Y304-L307 PolarHBondContact O-N 2.84Å; Y304-L308 HydrophobicContact CD1-CD1 3.89Å; Y304-L308 HydrophobicContact CD2-CD1 4.14Å; Y304-L308 HydrophobicContact CD2-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.33Å; Y304-L308 HydrophobicContact CE1-CG 4.39Å; Y304-L308 HydrophobicContact CE2-CD1 3.6Å; Y304-L308 HydrophobicContact CE2-CG 4.08Å; Y304-L308 HydrophobicContact CG-CD1 4.28Å; Y304-L308 WeakPolarHBondContact O-CB 3.27Å; Y304-L308 WeakPolarHBondContact O-CG 3.48Å; Y304-L308 PolarHBondContact O-N 2.84Å; Y304-L308 WeakPolarHBondContact OH-CD1 3.49Å |
| 305 | I | 78.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 62 Ų | 62 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.9 | -69.5 | 171.5 | 0 | 0 | 0 | 110.8 | I301 T303 N309 | I301-I305 HydrophobicContact CG2-CD1 3.56Å; I301-I305 HydrophobicContact CG2-CG1 4.3Å; I301-I305 WeakPolarHBondContact O-CB 3.33Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.31Å; T303-I305 PolarHBondContact O-N 3.09Å; I305-N309 WeakPolarHBondContact CG2-ND2 3.35Å; I305-N309 WeakPolarHBondContact O-CB 3.07Å; I305-N309 PolarHBondContact O-N 3.26Å; I305-N309 PolarHBondContact O-ND2 2.68Å |
| 306 | L | 72.7 | Confident | 77.5 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 178.7 | -69.3 | 169.7 | 0 | 0 | 0 | 111.8 | F220 L302 T303 M310 | F220-L306 HydrophobicContact CD1-CD1 4.02Å; F220-L306 HydrophobicContact CD2-CD1 4.18Å; F220-L306 HydrophobicContact CE1-CD1 3.52Å; F220-L306 HydrophobicContact CE2-CD1 3.68Å; F220-L306 HydrophobicContact CG-CD1 4.34Å; F220-L306 HydrophobicContact CZ-CD1 3.33Å; L302-L306 VanDerWaalsContact O-CB 3.27Å; L302-L306 WeakPolarHBondContact O-CB 3.29Å; L302-L306 WeakPolarHBondContact O-CD1 3.45Å; L302-L306 WeakPolarHBondContact O-CG 2.88Å; L302-L306 PolarHBondContact O-N 3.01Å; T303-L306 CarbonylContact O-C 3.51Å; T303-L306 PolarHBondContact O-N 3.42Å; T303-L306 VanDerWaalsContact O-N 3.16Å; L306-M310 WeakPolarHBondContact O-CB 3.23Å; L306-M310 PolarHBondContact O-N 3.35Å; L306-M310 VanDerWaalsContact O-N 3.14Å |
| 307 | L | 72.3 | Confident | 77.1 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | -177.2 | -71 | 170.6 | 0 | 0 | 0 | 109.1 | F213 Y217 T303 Y304 L311 | F213-L307 HydrophobicContact CE1-CD2 4.02Å; F213-L307 HydrophobicContact CE2-CB 4.33Å; F213-L307 HydrophobicContact CE2-CD2 3.58Å; F213-L307 HydrophobicContact CE2-CG 4.49Å; F213-L307 HydrophobicContact CZ-CB 4.44Å; F213-L307 HydrophobicContact CZ-CD2 3.13Å; F213-L307 HydrophobicContact CZ-CG 4.32Å; Y217-L307 HydrophobicContact CD2-CD2 3.8Å; Y217-L307 HydrophobicContact CE2-CD2 4.25Å; T303-L307 WeakPolarHBondContact O-CA 3.38Å; T303-L307 WeakPolarHBondContact O-CB 3.41Å; T303-L307 WeakPolarHBondContact O-CD1 3.24Å; T303-L307 WeakPolarHBondContact O-CG 3.48Å; T303-L307 PolarHBondContact O-N 2.94Å; Y304-L307 PolarHBondContact O-N 2.84Å; L307-L311 WeakPolarHBondContact O-CB 3.22Å; L307-L311 PolarHBondContact O-N 3.42Å |
| 308 | L | 69.5 | Low | 76.5 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.4 | -48.4 | 178.6 | -70.4 | -176.6 | 0 | 0 | 0 | 112.8 | Y304 M310 L311 I312 | Y304-L308 HydrophobicContact CD1-CD1 3.89Å; Y304-L308 HydrophobicContact CD2-CD1 4.14Å; Y304-L308 HydrophobicContact CD2-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.33Å; Y304-L308 HydrophobicContact CE1-CG 4.39Å; Y304-L308 HydrophobicContact CE2-CD1 3.6Å; Y304-L308 HydrophobicContact CE2-CG 4.08Å; Y304-L308 HydrophobicContact CG-CD1 4.28Å; Y304-L308 WeakPolarHBondContact O-CB 3.27Å; Y304-L308 WeakPolarHBondContact O-CG 3.48Å; Y304-L308 PolarHBondContact O-N 2.84Å; Y304-L308 WeakPolarHBondContact OH-CD1 3.49Å; L308-M310 PolarHBondContact O-N 3Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-I312 HydrophobicContact CB-CD1 4.07Å; L308-I312 HydrophobicContact CD2-CD1 4.26Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CD1 3.36Å; L308-I312 WeakPolarHBondContact O-CG1 3.34Å; L308-I312 PolarHBondContact O-N 3.48Å |
| 309 | N | 69.9 | Low | 75.9 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | -169.6 | -68.6 | -21.8 | 0 | 0 | 0 | 112.7 | I305 A313 | I305-N309 WeakPolarHBondContact CG2-ND2 3.35Å; I305-N309 WeakPolarHBondContact O-CB 3.07Å; I305-N309 PolarHBondContact O-N 3.26Å; I305-N309 PolarHBondContact O-ND2 2.68Å; N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 3.15Å |
| 310 | M | 73.8 | Confident | 75.1 | Confident | 107 Ų | 107 | 69.5 Ų | 69.5 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.7 | -38.4 | 177.2 | -68.2 | -67.3 | 121.3 | 0 | 0 | 112 | L306 L308 L314 | L306-M310 WeakPolarHBondContact O-CB 3.23Å; L306-M310 PolarHBondContact O-N 3.35Å; L306-M310 VanDerWaalsContact O-N 3.14Å; L308-M310 PolarHBondContact O-N 3Å; M310-L314 VanDerWaalsContact O-CB 3.27Å; M310-L314 WeakPolarHBondContact O-CB 3.48Å; M310-L314 WeakPolarHBondContact O-CD1 3.36Å; M310-L314 VanDerWaalsContact O-CG 3.24Å; M310-L314 WeakPolarHBondContact O-CG 3.37Å; M310-L314 PolarHBondContact O-N 2.85Å |
| 311 | L | 72.1 | Confident | 74.4 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 179.5 | -167.9 | 76 | 0 | 0 | 0 | 111.4 | F213 L307 L308 M315 | F213-L311 HydrophobicContact CD2-CB 4.49Å; F213-L311 HydrophobicContact CD2-CD1 4.19Å; F213-L311 HydrophobicContact CE2-CB 4.16Å; F213-L311 HydrophobicContact CE2-CD1 4.1Å; F213-L311 HydrophobicContact CG-CD1 4.43Å; F213-L311 HydrophobicContact CZ-CD1 4.35Å; L307-L311 WeakPolarHBondContact O-CB 3.22Å; L307-L311 PolarHBondContact O-N 3.42Å; L308-L311 PolarHBondContact O-N 2.89Å; L311-M315 HydrophobicContact CD1-CE 3.33Å; L311-M315 HydrophobicContact CD1-CG 4.43Å; L311-M315 HydrophobicContact CD1-SD 4.06Å; L311-M315 HydrophobicContact CD2-CE 4.31Å; L311-M315 HydrophobicContact CD2-SD 4.4Å; L311-M315 HydrophobicContact CG-CE 3.77Å; L311-M315 HydrophobicContact CG-CG 4.34Å; L311-M315 HydrophobicContact CG-SD 3.83Å; L311-M315 WeakPolarHBondContact O-CB 3.42Å; L311-M315 WeakPolarHBondContact O-CG 3.46Å; L311-M315 PolarHBondContact O-N 2.93Å |
| 312 | I | 69 | Low | 73.6 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.8 | -42.9 | 179.6 | -64.6 | 167.6 | 0 | 0 | 0 | 110.6 | L308 G316 | L308-I312 HydrophobicContact CB-CD1 4.07Å; L308-I312 HydrophobicContact CD2-CD1 4.26Å; L308-I312 WeakPolarHBondContact O-CB 3.45Å; L308-I312 WeakPolarHBondContact O-CD1 3.36Å; L308-I312 WeakPolarHBondContact O-CG1 3.34Å; L308-I312 PolarHBondContact O-N 3.48Å; I312-G316 WeakPolarHBondContact O-CA 3.39Å; I312-G316 PolarHBondContact O-N 3.01Å |
| 313 | A | 70.1 | Confident | 72.9 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N309 E317 | N309-A313 WeakPolarHBondContact O-CB 3.41Å; N309-A313 PolarHBondContact O-N 3.15Å; A313-E317 PolarHBondContact O-N 3.22Å; A313-E317 VanDerWaalsContact O-N 3.15Å |
| 314 | L | 69.7 | Low | 72.3 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.9 | -43.3 | -179.2 | -69.5 | 169.9 | 0 | 0 | 0 | 112 | D209 M310 T318 | D209-L314 HydrophobicContact CB-CB 4.27Å; M310-L314 VanDerWaalsContact O-CB 3.27Å; M310-L314 WeakPolarHBondContact O-CB 3.48Å; M310-L314 WeakPolarHBondContact O-CD1 3.36Å; M310-L314 VanDerWaalsContact O-CG 3.24Å; M310-L314 WeakPolarHBondContact O-CG 3.37Å; M310-L314 PolarHBondContact O-N 2.85Å; L314-T318 WeakPolarHBondContact O-CB 3.2Å; L314-T318 PolarHBondContact O-N 3.49Å; L314-T318 PolarHBondContact O-OG1 2.92Å |
| 315 | M | 69.4 | Low | 71.8 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 176.5 | -69.3 | -171.6 | 173.4 | 0 | 0 | 111.7 | M205 L311 V319 | M205-M315 HydrophobicContact CE-CE 3.79Å; M205-M315 HydrophobicContact CE-CG 4.34Å; M205-M315 HydrophobicContact CE-SD 3.8Å; M205-M315 HydrophobicContact CG-CE 4.3Å; M205-M315 HydrophobicContact CG-CG 3.89Å; M205-M315 HydrophobicContact SD-CB 3.91Å; M205-M315 HydrophobicContact SD-CE 4.21Å; M205-M315 HydrophobicContact SD-CG 3.59Å; M205-M315 VanDerWaalsContact SD-CG 3.59Å; M205-M315 HydrophobicContact SD-SD 3.82Å; L311-M315 HydrophobicContact CD1-CE 3.33Å; L311-M315 HydrophobicContact CD1-CG 4.43Å; L311-M315 HydrophobicContact CD1-SD 4.06Å; L311-M315 HydrophobicContact CD2-CE 4.31Å; L311-M315 HydrophobicContact CD2-SD 4.4Å; L311-M315 HydrophobicContact CG-CE 3.77Å; L311-M315 HydrophobicContact CG-CG 4.34Å; L311-M315 HydrophobicContact CG-SD 3.83Å; L311-M315 WeakPolarHBondContact O-CB 3.42Å; L311-M315 WeakPolarHBondContact O-CG 3.46Å; L311-M315 PolarHBondContact O-N 2.93Å; M315-V319 WeakPolarHBondContact O-CB 3.42Å; M315-V319 WeakPolarHBondContact O-CG2 3.05Å; M315-V319 PolarHBondContact O-N 3.21Å |
| 316 | G | 72.1 | Confident | 71.4 | Confident | 36 Ų | 36 | 69 Ų | 69 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | I312 N320 | I312-G316 WeakPolarHBondContact O-CA 3.39Å; I312-G316 PolarHBondContact O-N 3.01Å; G316-N320 PolarHBondContact O-N 3.3Å; G316-N320 VanDerWaalsContact O-N 3.16Å |
| 317 | E | 74.8 | Confident | 71.4 | Confident | 140 Ų | 140 | 71.4 Ų | 71.4 | 65% | 0.654 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 177.3 | -167.3 | -176.5 | 171 | 0 | 0 | 111.3 | A313 N320 K321 | A313-E317 PolarHBondContact O-N 3.22Å; A313-E317 VanDerWaalsContact O-N 3.15Å; E317-N320 PolarHBondContact O-N 2.94Å; E317-K321 WeakPolarHBondContact O-CB 3.47Å; E317-K321 PolarHBondContact O-N 2.95Å |
| 318 | T | 74.1 | Confident | 71.6 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.1 | -72.8 | 0 | 0 | 0 | 0 | 112.1 | M205 R208 D209 L314 K321 I322 | M205-T318 HydrophobicContact CB-CG2 4.47Å; R208-T318 PolarHBondContact NH2-OG1 3.36Å; D209-T318 WeakPolarHBondContact OD2-CB 3.12Å; D209-T318 WeakPolarHBondContact OD2-CG2 3.17Å; D209-T318 PolarHBondContact OD2-OG1 3.23Å; L314-T318 WeakPolarHBondContact O-CB 3.2Å; L314-T318 PolarHBondContact O-N 3.49Å; L314-T318 PolarHBondContact O-OG1 2.92Å; T318-K321 PolarHBondContact O-N 3.01Å; T318-I322 HydrophobicContact CG2-CD1 3.29Å; T318-I322 HydrophobicContact CG2-CG1 3.82Å; T318-I322 WeakPolarHBondContact O-CA 3.03Å; T318-I322 WeakPolarHBondContact O-CB 3.36Å; T318-I322 WeakPolarHBondContact O-CG1 3.37Å; T318-I322 PolarHBondContact O-N 2.79Å |
| 319 | V | 74.3 | Confident | 71.8 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 179.6 | 166.6 | 0 | 0 | 0 | 0 | 110.3 | M201 M205 M315 A323 | M201-V319 HydrophobicContact CE-CG1 4.49Å; M201-V319 HydrophobicContact CE-CG2 4.37Å; M201-V319 HydrophobicContact CG-CG2 4.46Å; M201-V319 HydrophobicContact SD-CB 4.37Å; M201-V319 HydrophobicContact SD-CG1 3.89Å; M201-V319 HydrophobicContact SD-CG2 4.07Å; M205-V319 HydrophobicContact SD-CG2 3.98Å; M315-V319 WeakPolarHBondContact O-CB 3.42Å; M315-V319 WeakPolarHBondContact O-CG2 3.05Å; M315-V319 PolarHBondContact O-N 3.21Å; V319-A323 WeakPolarHBondContact O-CA 3.18Å; V319-A323 WeakPolarHBondContact O-CB 3.14Å; V319-A323 PolarHBondContact O-N 3.44Å |
| 320 | N | 71.8 | Confident | 72.2 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 178.1 | -78.5 | -19.5 | 0 | 0 | 0 | 112.4 | G316 E317 Q324 | G316-N320 PolarHBondContact O-N 3.3Å; G316-N320 VanDerWaalsContact O-N 3.16Å; E317-N320 PolarHBondContact O-N 2.94Å; N320-Q324 PolarHBondContact O-N 3.13Å |
| 321 | K | 72.3 | Confident | 72.3 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.6 | -44 | 178.6 | -173.8 | 174.3 | -177.7 | 171.1 | 0 | 112.3 | E317 T318 Q324 E325 | E317-K321 WeakPolarHBondContact O-CB 3.47Å; E317-K321 PolarHBondContact O-N 2.95Å; T318-K321 PolarHBondContact O-N 3.01Å; K321-Q324 PolarHBondContact O-N 3.12Å; K321-E325 WeakPolarHBondContact CE-OE1 2.94Å; K321-E325 PolarHBondContact O-N 2.88Å; K321-E325 VanDerWaalsContact O-N 3.15Å |
| 322 | I | 70 | Confident | 72.4 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.9 | -35.6 | 178.2 | -67.1 | -173.1 | 0 | 0 | 0 | 110.3 | M201 K204 T318 Q324 E325 S326 | M201-I322 HydrophobicContact CB-CG2 4.18Å; M201-I322 HydrophobicContact CG-CG2 3.98Å; K204-I322 HydrophobicContact CB-CD1 3.65Å; K204-I322 HydrophobicContact CD-CD1 4.13Å; T318-I322 HydrophobicContact CG2-CD1 3.29Å; T318-I322 HydrophobicContact CG2-CG1 3.82Å; T318-I322 WeakPolarHBondContact O-CA 3.03Å; T318-I322 WeakPolarHBondContact O-CB 3.36Å; T318-I322 WeakPolarHBondContact O-CG1 3.37Å; T318-I322 PolarHBondContact O-N 2.79Å; I322-Q324 PolarHBondContact O-N 2.97Å; I322-E325 CarbonylContact O-C 3.59Å; I322-E325 PolarHBondContact O-N 3.39Å; I322-S326 WeakPolarHBondContact O-CA 2.8Å; I322-S326 WeakPolarHBondContact O-CB 2.99Å; I322-S326 PolarHBondContact O-N 3.01Å; I322-S326 PolarHBondContact O-OG 3.1Å; I322-S326 VanDerWaalsContact O-OG 3.1Å |
| 323 | A | 69.2 | Low | 72.6 | Confident | 53 Ų | 53 | 57 Ų | 57 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.6 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V319 S326 | V319-A323 WeakPolarHBondContact O-CA 3.18Å; V319-A323 WeakPolarHBondContact O-CB 3.14Å; V319-A323 PolarHBondContact O-N 3.44Å; A323-S326 PolarHBondContact O-OG 3.37Å |
| 324 | Q | 69.6 | Low | 73.1 | Confident | 165 Ų | 165 | 55.4 Ų | 55.4 | 77% | 0.771 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -73 | -38.9 | 178.8 | -158 | 150.9 | -7.8 | 0 | 0 | 113.2 | N320 K321 I322 | N320-Q324 PolarHBondContact O-N 3.13Å; K321-Q324 PolarHBondContact O-N 3.12Å; I322-Q324 PolarHBondContact O-N 2.97Å |
| 325 | E | 72 | Confident | 73.4 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -84.3 | -20.9 | 177.8 | -68.1 | 177.8 | -171.5 | 0 | 0 | 113.9 | K321 I322 K327 N328 I329 | K321-E325 WeakPolarHBondContact CE-OE1 2.94Å; K321-E325 PolarHBondContact O-N 2.88Å; K321-E325 VanDerWaalsContact O-N 3.15Å; I322-E325 CarbonylContact O-C 3.59Å; I322-E325 PolarHBondContact O-N 3.39Å; E325-K327 VanDerWaalsContact C-N 3.32Å; E325-K327 PolarHBondContact O-N 3.01Å; E325-N328 WeakPolarHBondContact O-CB 3.28Å; E325-N328 PolarHBondContact O-N 3.17Å; E325-I329 HydrophobicContact CB-CD1 3.93Å; E325-I329 WeakPolarHBondContact O-CD1 3.38Å; E325-I329 WeakPolarHBondContact O-CG1 3.17Å; E325-I329 PolarHBondContact O-N 3.33Å |
| 326 | S | 71 | Confident | 73.7 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -33.9 | -167.8 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | I197 I322 A323 N328 I329 W330 | I197-S326 WeakPolarHBondContact CG2-OG 3.13Å; I322-S326 WeakPolarHBondContact O-CA 2.8Å; I322-S326 WeakPolarHBondContact O-CB 2.99Å; I322-S326 PolarHBondContact O-N 3.01Å; I322-S326 PolarHBondContact O-OG 3.1Å; I322-S326 VanDerWaalsContact O-OG 3.1Å; A323-S326 PolarHBondContact O-OG 3.37Å; S326-N328 VanDerWaalsContact C-N 3.27Å; S326-N328 PolarHBondContact O-N 2.89Å; S326-I329 PolarHBondContact O-N 3.46Å; S326-W330 WeakPolarHBondContact O-CB 3.27Å; S326-W330 PolarHBondContact O-N 2.83Å |
| 327 | K | 73.3 | Confident | 73.9 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 47% | 0.47 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.7 | -168.2 | 175 | -175.5 | 176.9 | 0 | 111.1 | E325 K331 | E325-K327 VanDerWaalsContact C-N 3.32Å; E325-K327 PolarHBondContact O-N 3.01Å; K327-K331 WeakPolarHBondContact O-CB 3.42Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.15Å; K327-K331 PolarHBondContact O-N 3.27Å |
| 328 | N | 75.1 | Confident | 74 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -77.1 | -34.2 | -179.6 | -60.9 | -13.8 | 0 | 0 | 0 | 111.1 | H43 L47 E325 S326 L332 | H43-N328 HydrophobicContact CB-CB 3.99Å; H43-N328 PolarHBondContact ND1-O 3.43Å; H43-N328 VanDerWaalsContact ND1-O 3.1Å; L47-N328 HydrophobicContact CD1-CB 3.95Å; L47-N328 WeakPolarHBondContact CD1-ND2 3.34Å; L47-N328 VanDerWaalsContact CD1-OD1 3.3Å; L47-N328 WeakPolarHBondContact CD1-OD1 3.43Å; E325-N328 WeakPolarHBondContact O-CB 3.28Å; E325-N328 PolarHBondContact O-N 3.17Å; S326-N328 VanDerWaalsContact C-N 3.27Å; S326-N328 PolarHBondContact O-N 2.89Å; N328-L332 PolarHBondContact O-N 3.42Å |
| 329 | I | 73.8 | Confident | 73.9 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -45.5 | 172.8 | -62.4 | 154.7 | 0 | 0 | 0 | 111.2 | V200 K204 E325 S326 K331 L332 Q333 | V200-I329 HydrophobicContact CG1-CB 4.27Å; V200-I329 HydrophobicContact CG1-CG2 3.59Å; K204-I329 HydrophobicContact CD-CD1 4.43Å; E325-I329 HydrophobicContact CB-CD1 3.93Å; E325-I329 WeakPolarHBondContact O-CD1 3.38Å; E325-I329 WeakPolarHBondContact O-CG1 3.17Å; E325-I329 PolarHBondContact O-N 3.33Å; S326-I329 PolarHBondContact O-N 3.46Å; I329-K331 PolarHBondContact O-N 3.22Å; I329-L332 WeakPolarHBondContact O-CB 3.25Å; I329-L332 PolarHBondContact O-N 3.22Å; I329-L332 VanDerWaalsContact O-N 3.17Å; I329-Q333 WeakPolarHBondContact O-CG 3.47Å; I329-Q333 PolarHBondContact O-N 3.39Å |
| 330 | W | 78.2 | Confident | 73.8 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.3 | 171.1 | 77.1 | 0 | 0 | 0 | 110.9 | R190 Q193 I197 S326 L332 Q333 R334 | R190-W330 PolarHBondContact O-NE1 3.12Å; Q193-W330 VanDerWaalsContact CA-CZ2 3.48Å; Q193-W330 HydrophobicContact CB-CH2 3.75Å; Q193-W330 HydrophobicContact CB-CZ2 3.69Å; Q193-W330 HydrophobicContact CG-CH2 3.52Å; Q193-W330 HydrophobicContact CG-CZ2 3.86Å; Q193-W330 HydrophobicContact CG-CZ3 3.9Å; I197-W330 HydrophobicContact CG1-CB 4.08Å; I197-W330 HydrophobicContact CG1-CD2 4.41Å; I197-W330 HydrophobicContact CG1-CG 4.06Å; S326-W330 WeakPolarHBondContact O-CB 3.27Å; S326-W330 PolarHBondContact O-N 2.83Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 3.26Å; W330-Q333 PolarHBondContact O-N 2.86Å; W330-R334 WeakPolarHBondContact O-CB 3.47Å; W330-R334 PolarHBondContact O-N 3.47Å |
| 331 | K | 75.6 | Confident | 73.9 | Confident | 46 Ų | 46 | 40.9 Ų | 40.9 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 173.1 | -78.9 | -179.7 | 177.9 | -169.1 | 0 | 112.4 | L47 N52 K327 I329 R334 A335 | L47-K331 HydrophobicContact CD2-CD 3.39Å; N52-K331 PolarHBondContact ND2-NZ 3.5Å; K327-K331 WeakPolarHBondContact O-CB 3.42Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.15Å; K327-K331 PolarHBondContact O-N 3.27Å; I329-K331 PolarHBondContact O-N 3.22Å; K331-R334 PolarHBondContact O-N 2.85Å; K331-A335 WeakPolarHBondContact O-CB 3.03Å; K331-A335 PolarHBondContact O-N 3.35Å |
| 332 | L | 75.6 | Confident | 73.9 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | 173.8 | 170.2 | 67.9 | 0 | 0 | 0 | 111.3 | R42 H43 L46 N328 I329 W330 R334 A335 I336 | R42-L332 HydrophobicContact CG-CD2 4.07Å; H43-L332 WeakPolarHBondContact CE1-CD2 3.32Å; H43-L332 WeakPolarHBondContact ND1-CB 3.4Å; L46-L332 HydrophobicContact CD1-CB 4.37Å; L46-L332 HydrophobicContact CD1-CD1 3.12Å; L46-L332 HydrophobicContact CD1-CG 4.31Å; N328-L332 PolarHBondContact O-N 3.42Å; I329-L332 WeakPolarHBondContact O-CB 3.25Å; I329-L332 PolarHBondContact O-N 3.22Å; I329-L332 VanDerWaalsContact O-N 3.17Å; W330-L332 VanDerWaalsContact C-N 3.33Å; W330-L332 PolarHBondContact O-N 3.26Å; L332-R334 VanDerWaalsContact C-N 3.26Å; L332-R334 PolarHBondContact O-N 3.28Å; L332-A335 WeakPolarHBondContact O-CA 3.25Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.08Å; L332-I336 HydrophobicContact CD1-CD1 3.89Å; L332-I336 HydrophobicContact CD1-CG1 4.05Å; L332-I336 HydrophobicContact CD2-CD1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.81Å; L332-I336 HydrophobicContact CG-CG1 4.36Å; L332-I336 WeakPolarHBondContact O-CG1 3.07Å; L332-I336 PolarHBondContact O-N 3.39Å |
| 333 | Q | 73.6 | Confident | 73.9 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | 179.6 | -73.8 | -171.9 | -9.9 | 0 | 0 | 111.7 | I329 W330 I336 T337 | I329-Q333 WeakPolarHBondContact O-CG 3.47Å; I329-Q333 PolarHBondContact O-N 3.39Å; W330-Q333 PolarHBondContact O-N 2.86Å; Q333-I336 PolarHBondContact O-N 3.5Å; Q333-T337 WeakPolarHBondContact O-CB 3.37Å; Q333-T337 PolarHBondContact O-N 3.35Å; Q333-T337 PolarHBondContact O-OG1 2.97Å |
| 334 | R | 79.6 | Confident | 73.8 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 172.1 | -165.9 | 175 | 76.5 | 167.8 | 3.7 | 110.8 | W59 W330 K331 L332 I336 T337 I338 | W59-R334 HydrophobicContact CD2-CG 4.3Å; W59-R334 HydrophobicContact CE3-CG 3.89Å; W59-R334 HydrophobicContact CZ3-CG 4.07Å; W330-R334 WeakPolarHBondContact O-CB 3.47Å; W330-R334 PolarHBondContact O-N 3.47Å; K331-R334 PolarHBondContact O-N 2.85Å; L332-R334 VanDerWaalsContact C-N 3.26Å; L332-R334 PolarHBondContact O-N 3.28Å; R334-I336 PolarHBondContact O-N 3.13Å; R334-T337 PolarHBondContact O-N 3.2Å; R334-I338 HydrophobicContact CG-CD1 4.15Å; R334-I338 WeakPolarHBondContact O-CD1 3.38Å; R334-I338 WeakPolarHBondContact O-CG1 3.13Å; R334-I338 PolarHBondContact O-N 3.44Å |
| 335 | A | 75.7 | Confident | 73.5 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L55 K331 L332 I338 L339 | L55-A335 HydrophobicContact CD1-CB 3.64Å; L55-A335 HydrophobicContact CD2-CB 4.3Å; K331-A335 WeakPolarHBondContact O-CB 3.03Å; K331-A335 PolarHBondContact O-N 3.35Å; L332-A335 WeakPolarHBondContact O-CA 3.25Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 2.9Å; L332-A335 VanDerWaalsContact O-N 3.08Å; A335-I338 PolarHBondContact O-N 3.07Å; A335-L339 WeakPolarHBondContact O-CB 3.37Å; A335-L339 PolarHBondContact O-N 3.16Å |
| 336 | I | 75.1 | Confident | 72.8 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.138 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.7 | -66.9 | 167.1 | 0 | 0 | 0 | 110 | L332 Q333 R334 I338 L339 D340 | L332-I336 HydrophobicContact CD1-CD1 3.89Å; L332-I336 HydrophobicContact CD1-CG1 4.05Å; L332-I336 HydrophobicContact CD2-CD1 4.3Å; L332-I336 HydrophobicContact CG-CD1 3.81Å; L332-I336 HydrophobicContact CG-CG1 4.36Å; L332-I336 WeakPolarHBondContact O-CG1 3.07Å; L332-I336 PolarHBondContact O-N 3.39Å; Q333-I336 PolarHBondContact O-N 3.5Å; R334-I336 PolarHBondContact O-N 3.13Å; I336-I338 VanDerWaalsContact C-N 3.34Å; I336-I338 PolarHBondContact O-N 3.37Å; I336-L339 PolarHBondContact O-N 2.65Å; I336-L339 VanDerWaalsContact O-N 3.15Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.36Å; I336-D340 WeakPolarHBondContact O-CB 3.49Å; I336-D340 PolarHBondContact O-N 2.84Å |
| 337 | T | 77.3 | Confident | 72.2 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | F67 Q333 R334 L339 T341 | F67-T337 HydrophobicContact CD2-CG2 4.11Å; F67-T337 HydrophobicContact CE2-CG2 4.03Å; Q333-T337 WeakPolarHBondContact O-CB 3.37Å; Q333-T337 PolarHBondContact O-N 3.35Å; Q333-T337 PolarHBondContact O-OG1 2.97Å; R334-T337 PolarHBondContact O-N 3.2Å; T337-L339 VanDerWaalsContact C-N 3.34Å; T337-L339 PolarHBondContact O-N 3.31Å; T337-T341 VanDerWaalsContact O-CB 3.32Å; T337-T341 WeakPolarHBondContact O-CB 3.5Å; T337-T341 PolarHBondContact O-N 3.3Å; T337-T341 PolarHBondContact O-OG1 2.9Å |
| 338 | I | 77.4 | Confident | 71.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 175 | -69.3 | 160.5 | 0 | 0 | 0 | 110.1 | L55 K58 W59 V63 R334 A335 I336 T341 E342 | L55-I338 HydrophobicContact CB-CD1 4.16Å; L55-I338 HydrophobicContact CD2-CD1 4.04Å; L55-I338 HydrophobicContact CD2-CG2 4.2Å; L55-I338 WeakPolarHBondContact O-CD1 3.21Å; K58-I338 HydrophobicContact CB-CG2 4.39Å; K58-I338 HydrophobicContact CD-CG2 4.48Å; W59-I338 HydrophobicContact CB-CD1 4.25Å; W59-I338 HydrophobicContact CE3-CD1 4.11Å; W59-I338 HydrophobicContact CE3-CG1 3.77Å; W59-I338 HydrophobicContact CZ3-CG1 4.41Å; V63-I338 HydrophobicContact CB-CG1 4.46Å; V63-I338 HydrophobicContact CG1-CG1 4.2Å; V63-I338 HydrophobicContact CG2-CB 4.42Å; V63-I338 HydrophobicContact CG2-CG1 4.11Å; V63-I338 HydrophobicContact CG2-CG2 4.1Å; R334-I338 HydrophobicContact CG-CD1 4.15Å; R334-I338 WeakPolarHBondContact O-CD1 3.38Å; R334-I338 WeakPolarHBondContact O-CG1 3.13Å; R334-I338 PolarHBondContact O-N 3.44Å; A335-I338 PolarHBondContact O-N 3.07Å; I336-I338 VanDerWaalsContact C-N 3.34Å; I336-I338 PolarHBondContact O-N 3.37Å; I338-T341 PolarHBondContact O-N 3.16Å; I338-E342 WeakPolarHBondContact O-CB 3.16Å; I338-E342 WeakPolarHBondContact O-CG 3.16Å; I338-E342 PolarHBondContact O-N 3.48Å |
| 339 | L | 72.3 | Confident | 70.4 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -37.2 | -174.3 | -141 | 154.9 | 0 | 0 | 0 | 112 | L30 A31 A34 A335 I336 T337 E342 K343 | L30-L339 HydrophobicContact CG-CD1 4.2Å; A31-L339 HydrophobicContact CB-CD1 4.47Å; A31-L339 HydrophobicContact CB-CD2 4.09Å; A34-L339 HydrophobicContact CB-CD1 3.97Å; A335-L339 WeakPolarHBondContact O-CB 3.37Å; A335-L339 PolarHBondContact O-N 3.16Å; I336-L339 PolarHBondContact O-N 2.65Å; I336-L339 VanDerWaalsContact O-N 3.15Å; T337-L339 VanDerWaalsContact C-N 3.34Å; T337-L339 PolarHBondContact O-N 3.31Å; L339-E342 PolarHBondContact O-N 3.47Å; L339-K343 HydrophobicContact CD2-CD 4.25Å; L339-K343 VanDerWaalsContact CD2-CE 3.46Å; L339-K343 WeakPolarHBondContact O-CG 3.32Å; L339-K343 PolarHBondContact O-N 3.46Å |
| 340 | D | 71 | Confident | 70 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.5 | -38.8 | 175.3 | -73.6 | -16.9 | 0 | 0 | 0 | 111.3 | R132 I336 K343 S344 | R132-D340 IonicContact NH1-OD2 3.57Å; I336-D340 WeakPolarHBondContact CG2-OD2 3.36Å; I336-D340 WeakPolarHBondContact O-CB 3.49Å; I336-D340 PolarHBondContact O-N 2.84Å; D340-K343 PolarHBondContact O-N 3.19Å; D340-K343 IonicContact OD1-NZ 3.72Å; D340-S344 PolarHBondContact O-N 2.91Å; D340-S344 VanDerWaalsContact O-N 3.09Å |
| 341 | T | 74.2 | Confident | 69.2 | Low | 23 Ų | 23 | 65.7 Ų | 65.7 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 170.1 | -48.1 | 0 | 0 | 0 | 0 | 109.4 | I66 T337 I338 K343 S344 F345 | I66-T341 HydrophobicContact CG2-CG2 4.21Å; T337-T341 VanDerWaalsContact O-CB 3.32Å; T337-T341 WeakPolarHBondContact O-CB 3.5Å; T337-T341 PolarHBondContact O-N 3.3Å; T337-T341 PolarHBondContact O-OG1 2.9Å; I338-T341 PolarHBondContact O-N 3.16Å; T341-K343 PolarHBondContact O-N 2.65Å; T341-S344 WeakPolarHBondContact O-CB 3.49Å; T341-S344 PolarHBondContact O-N 3Å; T341-F345 HydrophobicContact CG2-CE2 3.52Å; T341-F345 HydrophobicContact CG2-CZ 3.67Å; T341-F345 WeakPolarHBondContact O-CD2 3.29Å; T341-F345 WeakPolarHBondContact O-CE2 3.46Å |
| 342 | E | 73.2 | Confident | 68.5 | Low | 42 Ų | 42 | 67.3 Ų | 67.3 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.2 | -30.6 | 177.4 | -82.3 | -173.9 | -177.7 | 0 | 0 | 114.4 | K58 F62 I338 L339 R350 | K58-E342 VanDerWaalsContact CD-OE1 3.22Å; K58-E342 WeakPolarHBondContact CD-OE1 3.14Å; K58-E342 VanDerWaalsContact CE-OE1 3.22Å; K58-E342 WeakPolarHBondContact CE-OE1 3.46Å; K58-E342 VanDerWaalsContact NZ-CD 3.29Å; K58-E342 IonicContact NZ-OE1 3.55Å; K58-E342 PolarHBondContact NZ-OE1 2.95Å; K58-E342 IonicContact NZ-OE2 3.87Å; K58-E342 PolarHBondContact NZ-OE2 3.14Å; F62-E342 HydrophobicContact CE1-CG 4.38Å; I338-E342 WeakPolarHBondContact O-CB 3.16Å; I338-E342 WeakPolarHBondContact O-CG 3.16Å; I338-E342 PolarHBondContact O-N 3.48Å; L339-E342 PolarHBondContact O-N 3.47Å; E342-R350 PolarHBondContact O-NH2 3.33Å |
| 343 | K | 69.1 | Low | 67.8 | Low | 92 Ų | 92 | 70.1 Ų | 70.1 | 40% | 0.4 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -77.2 | -29.9 | 174.5 | -76.8 | 171 | -178.4 | 165.4 | 0 | 113 | L339 D340 T341 F345 | L339-K343 HydrophobicContact CD2-CD 4.25Å; L339-K343 VanDerWaalsContact CD2-CE 3.46Å; L339-K343 WeakPolarHBondContact O-CG 3.32Å; L339-K343 PolarHBondContact O-N 3.46Å; D340-K343 PolarHBondContact O-N 3.19Å; D340-K343 IonicContact OD1-NZ 3.72Å; T341-K343 PolarHBondContact O-N 2.65Å; K343-F345 PolarHBondContact O-N 3.36Å |
| 344 | S | 66.3 | Low | 67.4 | Low | 104 Ų | 104 | 74.3 Ų | 74.3 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.9 | -14.3 | 178 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | D340 T341 | D340-S344 PolarHBondContact O-N 2.91Å; D340-S344 VanDerWaalsContact O-N 3.09Å; T341-S344 WeakPolarHBondContact O-CB 3.49Å; T341-S344 PolarHBondContact O-N 3Å |
| 345 | F | 64.8 | Low | 66.8 | Low | 46 Ų | 46 | 74.1 Ų | 74.1 | 20% | 0.202 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -75 | 142.7 | 178.8 | -68.3 | -73.4 | 0 | 0 | 0 | 113.8 | F62 I66 T341 K343 M349 | F62-F345 HydrophobicContact CD2-CZ 4.33Å; F62-F345 HydrophobicContact CE1-CE2 4.26Å; F62-F345 HydrophobicContact CE2-CD1 4.4Å; F62-F345 HydrophobicContact CE2-CD2 4.12Å; F62-F345 AromaticContact CE2-CE1 3.69Å; F62-F345 HydrophobicContact CE2-CE1 3.69Å; F62-F345 AromaticContact CE2-CE2 3.38Å; F62-F345 HydrophobicContact CE2-CE2 3.38Å; F62-F345 AromaticContact CE2-CZ 3.14Å; F62-F345 HydrophobicContact CE2-CZ 3.14Å; F62-F345 AromaticContact CZ-CD2 3.78Å; F62-F345 HydrophobicContact CZ-CD2 3.78Å; F62-F345 HydrophobicContact CZ-CE1 4.26Å; F62-F345 AromaticContact CZ-CE2 3.05Å; F62-F345 HydrophobicContact CZ-CE2 3.05Å; F62-F345 AromaticContact CZ-CZ 3.37Å; F62-F345 HydrophobicContact CZ-CZ 3.37Å; I66-F345 HydrophobicContact CD1-CE1 3.49Å; I66-F345 VanDerWaalsContact CD1-CE1 3.49Å; I66-F345 HydrophobicContact CD1-CZ 3.34Å; I66-F345 HydrophobicContact CG2-CZ 4.25Å; T341-F345 HydrophobicContact CG2-CE2 3.52Å; T341-F345 HydrophobicContact CG2-CZ 3.67Å; T341-F345 WeakPolarHBondContact O-CD2 3.29Å; T341-F345 WeakPolarHBondContact O-CE2 3.46Å; K343-F345 PolarHBondContact O-N 3.36Å; F345-M349 HydrophobicContact CB-CB 4.35Å; F345-M349 HydrophobicContact CD1-CB 4.46Å |
| 346 | L | 57.2 | Low | 66.5 | Low | 142 Ų | 142 | 75 Ų | 75 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | trans | -54.7 | 139.7 | 163.8 | -75.5 | 141.8 | 0 | 0 | 0 | 110.4 | C348 M349 | L346-C348 PolarHBondContact O-N 3.47Å; L346-M349 PolarHBondContact O-N 2.93Å | ||
| 347 | K | 57 | Low | 66.3 | Low | 185 Ų | 185 | 81.2 Ų | 81.2 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -29.4 | -173.7 | -70.9 | 178.8 | 179.8 | 174.4 | 0 | 114 | ||
| 348 | C | 52.4 | Low | 66.2 | Low | 109 Ų | 109 | 84.6 Ų | 84.6 | 74% | 0.736 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -39.4 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | L346 R350 K351 | L346-C348 PolarHBondContact O-N 3.47Å; C348-R350 VanDerWaalsContact C-N 3.25Å; C348-R350 PolarHBondContact O-N 2.92Å; C348-K351 PolarHBondContact O-N 3.34Å |
| 349 | M | 59.3 | Low | 66 | Low | 88 Ų | 88 | 87 Ų | 87 | 43% | 0.433 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.5 | -27.9 | 179.5 | -64.4 | -61.5 | -72.6 | 0 | 0 | 111.6 | F345 L346 K351 A352 F353 | F345-M349 HydrophobicContact CB-CB 4.35Å; F345-M349 HydrophobicContact CD1-CB 4.46Å; L346-M349 PolarHBondContact O-N 2.93Å; M349-K351 PolarHBondContact O-N 3.14Å; M349-A352 PolarHBondContact O-N 2.76Å; M349-A352 VanDerWaalsContact O-N 3.14Å; M349-F353 HydrophobicContact CB-CD2 4.05Å; M349-F353 HydrophobicContact CB-CE2 3.76Å; M349-F353 HydrophobicContact CE-CE2 3.46Å; M349-F353 VanDerWaalsContact CE-CE2 3.46Å; M349-F353 HydrophobicContact CE-CZ 3.5Å; M349-F353 VanDerWaalsContact CE-CZ 3.5Å; M349-F353 WeakPolarHBondContact O-CD2 3.44Å; M349-F353 WeakPolarHBondContact O-CG 3.49Å; M349-F353 PolarHBondContact O-N 2.93Å |
| 350 | R | 64.6 | Low | 66.1 | Low | 134 Ų | 134 | 89.1 Ų | 89.1 | 51% | 0.506 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61 | -28.5 | 178.4 | -171.1 | 175.6 | -86.2 | 175.7 | -4.5 | 113.1 | E342 C348 | E342-R350 PolarHBondContact O-NH2 3.33Å; C348-R350 VanDerWaalsContact C-N 3.25Å; C348-R350 PolarHBondContact O-N 2.92Å |
| 351 | K | 61.4 | Low | 66.1 | Low | 184 Ų | 184 | 90.3 Ų | 90.3 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75 | -35.9 | 176.6 | -69.4 | -174 | 179.5 | -178.2 | 0 | 112.6 | C348 M349 F353 | C348-K351 PolarHBondContact O-N 3.34Å; M349-K351 PolarHBondContact O-N 3.14Å; K351-F353 VanDerWaalsContact C-N 3.26Å; K351-F353 PolarHBondContact O-N 3.02Å |
| 352 | A | 60.6 | Low | 65.9 | Low | 80 Ų | 80 | 90.5 Ų | 90.5 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71 | -22.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | M349 | M349-A352 PolarHBondContact O-N 2.76Å; M349-A352 VanDerWaalsContact O-N 3.14Å |
| 353 | F | 62.1 | Low | 65.9 | Low | 66 Ų | 66 | 95.3 Ų | 95.3 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 22.2 | -174.2 | -59.1 | -49.5 | 0 | 0 | 0 | 114.4 | F62 M349 K351 S355 | F62-F353 HydrophobicContact CB-CD1 4.48Å; F62-F353 HydrophobicContact CB-CE1 4.46Å; F62-F353 HydrophobicContact CD2-CD1 4.17Å; F62-F353 HydrophobicContact CD2-CD2 4.21Å; F62-F353 AromaticContact CD2-CE1 4Å; F62-F353 HydrophobicContact CD2-CE1 4Å; F62-F353 AromaticContact CD2-CE2 4Å; F62-F353 HydrophobicContact CD2-CE2 4Å; F62-F353 HydrophobicContact CD2-CG 4.3Å; F62-F353 AromaticContact CD2-CZ 3.91Å; F62-F353 HydrophobicContact CD2-CZ 3.91Å; F62-F353 AromaticContact CE2-CD2 3.87Å; F62-F353 HydrophobicContact CE2-CD2 3.87Å; F62-F353 AromaticContact CE2-CE2 3.81Å; F62-F353 HydrophobicContact CE2-CE2 3.81Å; F62-F353 HydrophobicContact CE2-CG 4.28Å; F62-F353 HydrophobicContact CE2-CZ 4.2Å; F62-F353 HydrophobicContact CG-CD1 4.37Å; F62-F353 HydrophobicContact CG-CE1 4.48Å; F62-F353 HydrophobicContact CZ-CD2 4.39Å; M349-F353 HydrophobicContact CB-CD2 4.05Å; M349-F353 HydrophobicContact CB-CE2 3.76Å; M349-F353 HydrophobicContact CE-CE2 3.46Å; M349-F353 VanDerWaalsContact CE-CE2 3.46Å; M349-F353 HydrophobicContact CE-CZ 3.5Å; M349-F353 VanDerWaalsContact CE-CZ 3.5Å; M349-F353 WeakPolarHBondContact O-CD2 3.44Å; M349-F353 WeakPolarHBondContact O-CG 3.49Å; M349-F353 PolarHBondContact O-N 2.93Å; K351-F353 VanDerWaalsContact C-N 3.26Å; K351-F353 PolarHBondContact O-N 3.02Å; F353-S355 PolarHBondContact O-N 2.98Å |
| 354 | R | 65.9 | Low | 65.9 | Low | 121 Ų | 121 | 92.8 Ų | 92.8 | 46% | 0.457 | 48% | 0.479 | S | S | . | . | trans | -77.3 | 113 | 175.1 | -165.9 | 175.5 | -174.9 | 164.5 | 5.2 | 109.9 | E20 | E20-R354 IonicContact OE1-NH2 2.92Å; E20-R354 PolarHBondContact OE1-NH2 2.64Å | ||
| 355 | S | 65.9 | Low | 66 | Low | 21 Ų | 21 | 93.3 Ų | 93.3 | 15% | 0.147 | 48% | 0.48 | C | S | . | . | trans | -74.6 | 144.4 | 171.1 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | D57 F353 | D57-S355 PolarHBondContact OD2-OG 3.14Å; F353-S355 PolarHBondContact O-N 2.98Å | ||
| 356 | G | 69.6 | Low | 66.2 | Low | 22 Ų | 22 | 97.7 Ų | 97.7 | 23% | 0.227 | 51% | 0.506 | C | S | . | . | S | Bend | trans | 116.2 | 164.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W373 C374 | G356-W373 WeakPolarHBondContact O-CZ3 3.47Å; G356-C374 CarbonylContact C-O 3.29Å; G356-C374 VanDerWaalsContact CA-O 3.32Å; G356-C374 WeakPolarHBondContact CA-O 3.43Å |
| 357 | K | 71.6 | Confident | 67 | Low | 158 Ų | 158 | 93.6 Ų | 93.6 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.5 | 171 | -68.6 | -175.8 | -179.9 | -179.9 | 0 | 109 | L359 W373 C374 | K357-L359 HydrophobicContact CB-CG 4.45Å; K357-L359 PolarHBondContact O-N 3.3Å; K357-W373 WeakPolarHBondContact O-CA 3.29Å; K357-C374 PolarHBondContact N-O 3.22Å; K357-C374 PolarHBondContact O-N 3.29Å |
| 358 | L | 74.1 | Confident | 67.9 | Low | 87 Ų | 87 | 92 Ų | 92 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.5 | 170.8 | -167.3 | 77.3 | 0 | 0 | 0 | 107.8 | F371 W373 | L358-F371 HydrophobicContact CD1-CB 4.02Å; L358-F371 HydrophobicContact CD2-CB 4.18Å; L358-F371 HydrophobicContact CD2-CD1 4.13Å; L358-F371 HydrophobicContact CD2-CG 4.34Å; L358-F371 HydrophobicContact CG-CB 4.04Å; L358-F371 HydrophobicContact CG-CD1 4.2Å; L358-F371 HydrophobicContact CG-CG 4.5Å; L358-W373 HydrophobicContact CB-CD2 4.45Å; L358-W373 HydrophobicContact CB-CE3 4.5Å; L358-W373 HydrophobicContact CB-CH2 4.34Å; L358-W373 HydrophobicContact CB-CZ2 4.28Å; L358-W373 HydrophobicContact CB-CZ3 4.45Å; L358-W373 HydrophobicContact CD1-CD2 4.14Å; L358-W373 HydrophobicContact CD1-CG 4.18Å; L358-W373 HydrophobicContact CD1-CZ2 4.28Å |
| 359 | L | 72.8 | Confident | 68.9 | Low | 50 Ų | 50 | 90.8 Ų | 90.8 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.5 | 179.3 | -66.3 | 178.1 | 0 | 0 | 0 | 110 | K357 V361 F371 R372 C374 P396 | K357-L359 HydrophobicContact CB-CG 4.45Å; K357-L359 PolarHBondContact O-N 3.3Å; L359-V361 PolarHBondContact O-N 2.89Å; L359-F371 WeakPolarHBondContact O-CA 3.28Å; L359-R372 PolarHBondContact N-O 3.36Å; L359-R372 PolarHBondContact O-N 3.47Å; L359-C374 HydrophobicContact CB-CB 4.43Å; L359-C374 HydrophobicContact CD1-CB 3.85Å; L359-C374 HydrophobicContact CG-CB 4.38Å; L359-P396 HydrophobicContact CD1-CB 4.22Å; L359-P396 HydrophobicContact CD1-CG 3.77Å |
| 360 | Q | 75.6 | Confident | 69.7 | Low | 66 Ų | 66 | 88 Ų | 88 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.6 | 170.2 | -172.9 | 178.9 | 2.8 | 0 | 0 | 108.2 | D369 F371 G397 | Q360-D369 VanDerWaalsContact NE2-CG 3.29Å; Q360-D369 PolarHBondContact NE2-OD1 2.8Å; Q360-F371 HydrophobicContact CB-CD1 4.15Å; Q360-F371 HydrophobicContact CB-CE1 3.92Å; Q360-G397 WeakPolarHBondContact O-CA 3.23Å |
| 361 | V | 69.5 | Low | 70.2 | Confident | 76 Ų | 76 | 86.6 Ų | 86.6 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -21.5 | -175 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | L359 D370 R372 | L359-V361 PolarHBondContact O-N 2.89Å; V361-D370 PolarHBondContact N-O 2.9Å; V361-R372 HydrophobicContact CB-CG 4.45Å; V361-R372 HydrophobicContact CG2-CB 3.78Å; V361-R372 HydrophobicContact CG2-CG 4.05Å |
| 362 | G | 71.4 | Confident | 70.8 | Confident | 28 Ų | 28 | 81.4 Ų | 81.4 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -153.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D370 | G362-D370 WeakPolarHBondContact O-CB 3.45Å; G362-D370 PolarHBondContact O-N 3.47Å |
| 363 | F | 71.9 | Confident | 71.3 | Confident | 143 Ų | 143 | 83 Ų | 83 | 63% | 0.627 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.3 | 175.1 | -59.9 | -82.8 | 0 | 0 | 0 | 109.9 | K368 D369 | F363-K368 CarbonylContact C-O 3.52Å; F363-K368 VanDerWaalsContact CA-O 3.31Å; F363-K368 WeakPolarHBondContact CA-O 3.25Å; F363-D369 WeakPolarHBondContact CE1-OD1 3.3Å |
| 364 | T | 70.8 | Confident | 71.7 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | trans | -63.2 | 162.5 | 169 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | D366 G367 K368 D370 | T364-D366 PolarHBondContact O-N 3.47Å; T364-G367 PolarHBondContact O-N 3.31Å; T364-K368 PolarHBondContact N-O 3.48Å; T364-K368 PolarHBondContact OG1-N 2.87Å; T364-K368 VanDerWaalsContact OG1-N 3.14Å; T364-K368 PolarHBondContact OG1-O 2.87Å; T364-D370 HydrophobicContact CG2-CB 3.94Å | ||
| 365 | P | 66.5 | Low | 72 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 75% | 0.747 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -22.9 | 172.3 | -24.3 | 33.8 | 0 | 0 | 0 | 113.3 | ||
| 366 | D | 69.9 | Low | 72.3 | Confident | 138 Ų | 138 | 86.1 Ų | 86.1 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 7 | 177.9 | -51.5 | -44.7 | 0 | 0 | 0 | 113.9 | T364 K368 | T364-D366 PolarHBondContact O-N 3.47Å; D366-K368 PolarHBondContact O-N 3.22Å |
| 367 | G | 73.9 | Confident | 72.4 | Confident | 55 Ų | 55 | 87 Ų | 87 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 75.8 | 14.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T364 | T364-G367 PolarHBondContact O-N 3.31Š|
| 368 | K | 75.4 | Confident | 72.3 | Confident | 153 Ų | 153 | 84.4 Ų | 84.4 | 67% | 0.665 | 43% | 0.434 | S | S | * | . | trans | -93.3 | 150.4 | 176.4 | -64.7 | -178 | -179.8 | 175.8 | 0 | 111.3 | F363 T364 D366 D370 | F363-K368 CarbonylContact C-O 3.52Å; F363-K368 VanDerWaalsContact CA-O 3.31Å; F363-K368 WeakPolarHBondContact CA-O 3.25Å; T364-K368 PolarHBondContact N-O 3.48Å; T364-K368 PolarHBondContact OG1-N 2.87Å; T364-K368 VanDerWaalsContact OG1-N 3.14Å; T364-K368 PolarHBondContact OG1-O 2.87Å; D366-K368 PolarHBondContact O-N 3.22Å; K368-D370 PolarHBondContact O-N 2.84Å | ||
| 369 | D | 74.7 | Confident | 72 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 120.8 | 175.2 | -63 | -31.6 | 0 | 0 | 0 | 111.1 | Q360 F363 F371 | Q360-D369 VanDerWaalsContact NE2-CG 3.29Å; Q360-D369 PolarHBondContact NE2-OD1 2.8Å; F363-D369 WeakPolarHBondContact CE1-OD1 3.3Å; D369-F371 HydrophobicContact CB-CD2 4.13Å; D369-F371 HydrophobicContact CB-CE2 3.62Å; D369-F371 HydrophobicContact CB-CZ 4.32Å; D369-F371 PolarHBondContact O-N 3.27Å |
| 370 | D | 75.6 | Confident | 71.9 | Confident | 29 Ų | 29 | 89.3 Ų | 89.3 | 16% | 0.155 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 94.4 | 179.9 | -169.1 | 2.6 | 0 | 0 | 0 | 110.2 | V361 G362 T364 K368 R372 | V361-D370 PolarHBondContact N-O 2.9Å; G362-D370 WeakPolarHBondContact O-CB 3.45Å; G362-D370 PolarHBondContact O-N 3.47Å; T364-D370 HydrophobicContact CG2-CB 3.94Å; K368-D370 PolarHBondContact O-N 2.84Å; D370-R372 WeakPolarHBondContact OD1-CG 3.25Å; D370-R372 IonicContact OD1-NE 3.4Å; D370-R372 PolarHBondContact OD1-NE 3.25Å; D370-R372 IonicContact OD2-CZ 3.14Å; D370-R372 IonicContact OD2-NE 2.78Å; D370-R372 PolarHBondContact OD2-NE 3.26Å; D370-R372 IonicContact OD2-NH2 3.96Å; D370-R372 PolarHBondContact OD2-NH2 2.93Å |
| 371 | F | 74.4 | Confident | 71.7 | Confident | 104 Ų | 104 | 89.9 Ų | 89.9 | 46% | 0.456 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.1 | 173.2 | -70 | -80.7 | 0 | 0 | 0 | 111 | L358 L359 Q360 D369 | L358-F371 HydrophobicContact CD1-CB 4.02Å; L358-F371 HydrophobicContact CD2-CB 4.18Å; L358-F371 HydrophobicContact CD2-CD1 4.13Å; L358-F371 HydrophobicContact CD2-CG 4.34Å; L358-F371 HydrophobicContact CG-CB 4.04Å; L358-F371 HydrophobicContact CG-CD1 4.2Å; L358-F371 HydrophobicContact CG-CG 4.5Å; L359-F371 WeakPolarHBondContact O-CA 3.28Å; Q360-F371 HydrophobicContact CB-CD1 4.15Å; Q360-F371 HydrophobicContact CB-CE1 3.92Å; D369-F371 HydrophobicContact CB-CD2 4.13Å; D369-F371 HydrophobicContact CB-CE2 3.62Å; D369-F371 HydrophobicContact CB-CZ 4.32Å; D369-F371 PolarHBondContact O-N 3.27Å |
| 372 | R | 74.4 | Confident | 71.9 | Confident | 76 Ų | 76 | 96.3 Ų | 96.3 | 29% | 0.287 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.7 | 177.4 | -55.8 | -173.6 | 179.8 | -159.8 | -0.7 | 110.7 | P14 L359 V361 D370 C374 | P14-R372 PolarHBondContact O-NH2 3.15Å; L359-R372 PolarHBondContact N-O 3.36Å; L359-R372 PolarHBondContact O-N 3.47Å; V361-R372 HydrophobicContact CB-CG 4.45Å; V361-R372 HydrophobicContact CG2-CB 3.78Å; V361-R372 HydrophobicContact CG2-CG 4.05Å; D370-R372 WeakPolarHBondContact OD1-CG 3.25Å; D370-R372 IonicContact OD1-NE 3.4Å; D370-R372 PolarHBondContact OD1-NE 3.25Å; D370-R372 IonicContact OD2-CZ 3.14Å; D370-R372 IonicContact OD2-NE 2.78Å; D370-R372 PolarHBondContact OD2-NE 3.26Å; D370-R372 IonicContact OD2-NH2 3.96Å; D370-R372 PolarHBondContact OD2-NH2 2.93Å; R372-C374 PolarHBondContact O-N 3Å |
| 373 | W | 70.9 | Confident | 72.1 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 43% | 0.432 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 112.4 | 170 | -75.1 | 91.8 | 0 | 0 | 0 | 108.2 | G356 K357 L358 | G356-W373 WeakPolarHBondContact O-CZ3 3.47Å; K357-W373 WeakPolarHBondContact O-CA 3.29Å; L358-W373 HydrophobicContact CB-CD2 4.45Å; L358-W373 HydrophobicContact CB-CE3 4.5Å; L358-W373 HydrophobicContact CB-CH2 4.34Å; L358-W373 HydrophobicContact CB-CZ2 4.28Å; L358-W373 HydrophobicContact CB-CZ3 4.45Å; L358-W373 HydrophobicContact CD1-CD2 4.14Å; L358-W373 HydrophobicContact CD1-CG 4.18Å; L358-W373 HydrophobicContact CD1-CZ2 4.28Å |
| 374 | C | 71 | Confident | 71.9 | Confident | 37 Ų | 37 | 96.5 Ų | 96.5 | 25% | 0.25 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.5 | -179.3 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | G356 K357 L359 R372 | G356-C374 CarbonylContact C-O 3.29Å; G356-C374 VanDerWaalsContact CA-O 3.32Å; G356-C374 WeakPolarHBondContact CA-O 3.43Å; K357-C374 PolarHBondContact N-O 3.22Å; K357-C374 PolarHBondContact O-N 3.29Å; L359-C374 HydrophobicContact CB-CB 4.43Å; L359-C374 HydrophobicContact CD1-CB 3.85Å; L359-C374 HydrophobicContact CG-CB 4.38Å; R372-C374 PolarHBondContact O-N 3Å |
| 375 | F | 73 | Confident | 71.7 | Confident | 68 Ų | 68 | 102.3 Ų | 102.3 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | trans | -111.9 | 120.5 | 170.8 | -175.3 | -100.5 | 0 | 0 | 0 | 107.5 | R53 L54 D57 V377 | R53-F375 HydrophobicContact CB-CE1 3.99Å; L54-F375 HydrophobicContact CB-CD1 4.33Å; L54-F375 HydrophobicContact CB-CE1 4.17Å; L54-F375 HydrophobicContact CB-CZ 4.41Å; L54-F375 HydrophobicContact CD1-CB 4.46Å; L54-F375 HydrophobicContact CD1-CD1 4.28Å; L54-F375 HydrophobicContact CD1-CD2 3.63Å; L54-F375 HydrophobicContact CD1-CE1 4.48Å; L54-F375 HydrophobicContact CD1-CE2 3.86Å; L54-F375 HydrophobicContact CD1-CG 3.87Å; L54-F375 HydrophobicContact CD1-CZ 4.29Å; D57-F375 HydrophobicContact CB-CE2 3.96Å; D57-F375 HydrophobicContact CB-CZ 3.9Å; F375-V377 HydrophobicContact CD1-CG2 3.63Å; F375-V377 HydrophobicContact CE1-CG2 3.98Å | ||
| 376 | R | 71.6 | Confident | 71.9 | Confident | 168 Ų | 168 | 103.5 Ų | 103.5 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | trans | -73.4 | 130.1 | 178.9 | -179.7 | 174.4 | 166.5 | 164.2 | -3.7 | 109 | D378 | R376-D378 IonicContact CZ-OD1 3.37Å; R376-D378 IonicContact NE-OD1 3.94Å; R376-D378 PolarHBondContact NE-OD1 3.39Å; R376-D378 IonicContact NH2-OD1 3.2Å; R376-D378 PolarHBondContact NH2-OD1 3.37Å; R376-D378 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 377 | V | 71.7 | Confident | 71.8 | Confident | 41 Ų | 41 | 102 Ų | 102 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | trans | -127.4 | 115.6 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 106.7 | E49 P50 R53 F375 E379 | E49-V377 HydrophobicContact CG-CG1 4.45Å; P50-V377 HydrophobicContact CB-CG2 3.98Å; R53-V377 HydrophobicContact CG-CG1 4.22Å; F375-V377 HydrophobicContact CD1-CG2 3.63Å; F375-V377 HydrophobicContact CE1-CG2 3.98Å; V377-E379 HydrophobicContact CG1-CG 4.03Å; V377-E379 PolarHBondContact O-N 3.44Å | ||
| 378 | D | 68.8 | Low | 71 | Confident | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | trans | -86.1 | 109.3 | 175.5 | -55 | -50.2 | 0 | 0 | 0 | 108.2 | R376 | R376-D378 IonicContact CZ-OD1 3.37Å; R376-D378 IonicContact NE-OD1 3.94Å; R376-D378 PolarHBondContact NE-OD1 3.39Å; R376-D378 IonicContact NH2-OD1 3.2Å; R376-D378 PolarHBondContact NH2-OD1 3.37Å; R376-D378 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 379 | E | 68.9 | Low | 70.3 | Confident | 130 Ų | 130 | 99.4 Ų | 99.4 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | trans | -107.9 | 129.8 | 174.3 | -70.9 | -174.1 | -172.4 | 0 | 0 | 109.9 | E49 V377 | E49-E379 HydrophobicContact CG-CG 4.04Å; V377-E379 HydrophobicContact CG1-CG 4.03Å; V377-E379 PolarHBondContact O-N 3.44Å | ||
| 380 | V | 69.9 | Low | 69.2 | Low | 109 Ų | 109 | 99.5 Ų | 99.5 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | trans | -109.8 | 105.9 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | W382 | V380-W382 HydrophobicContact CG1-CD2 4.18Å; V380-W382 HydrophobicContact CG1-CZ2 3.84Å | ||
| 381 | N | 71.4 | Confident | 68.2 | Low | 79 Ų | 79 | 104.8 Ų | 104.8 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | trans | -111.8 | 98 | 174.8 | -171.8 | -10.1 | 0 | 0 | 0 | 111 | T383 T384 W385 | N381-T383 PolarHBondContact O-N 3.48Å; N381-T383 PolarHBondContact OD1-N 3.29Å; N381-T383 PolarHBondContact OD1-OG1 3.47Å; N381-T384 WeakPolarHBondContact CB-OG1 3.46Å; N381-T384 PolarHBondContact ND2-OG1 3.06Å; N381-T384 PolarHBondContact O-N 2.93Å; N381-W385 PolarHBondContact O-N 2.78Å; N381-W385 VanDerWaalsContact O-N 3.15Å | ||
| 382 | W | 74.1 | Confident | 67.1 | Low | 210 Ų | 210 | 104.8 Ų | 104.8 | 80% | 0.795 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.6 | 179.8 | -62.6 | 105.6 | 0 | 0 | 0 | 114 | V380 | V380-W382 HydrophobicContact CG1-CD2 4.18Å; V380-W382 HydrophobicContact CG1-CZ2 3.84Å |
| 383 | T | 76.2 | Confident | 66.3 | Low | 125 Ų | 125 | 105.5 Ų | 105.5 | 77% | 0.767 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -26.9 | -177.5 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | N381 | N381-T383 PolarHBondContact O-N 3.48Å; N381-T383 PolarHBondContact OD1-N 3.29Å; N381-T383 PolarHBondContact OD1-OG1 3.47Å |
| 384 | T | 66.5 | Low | 65.6 | Low | 51 Ų | 51 | 108 Ų | 108 | 31% | 0.313 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.6 | 2.9 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | N381 N386 T387 N388 | N381-T384 WeakPolarHBondContact CB-OG1 3.46Å; N381-T384 PolarHBondContact ND2-OG1 3.06Å; N381-T384 PolarHBondContact O-N 2.93Å; T384-N386 VanDerWaalsContact C-N 3.26Å; T384-N386 PolarHBondContact O-N 3.02Å; T384-T387 PolarHBondContact O-N 3.35Å; T384-T387 VanDerWaalsContact O-N 3.17Å; T384-T387 PolarHBondContact O-OG1 3.2Å; T384-N388 PolarHBondContact O-N 2.87Å |
| 385 | W | 67.6 | Low | 64.8 | Low | 161 Ų | 161 | 110.5 Ų | 110.5 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -56 | -40.9 | -177.7 | -173.8 | 77.2 | 0 | 0 | 0 | 111.9 | N381 T387 V389 | N381-W385 PolarHBondContact O-N 2.78Å; N381-W385 VanDerWaalsContact O-N 3.15Å; W385-T387 PolarHBondContact O-N 3.2Å; W385-V389 WeakPolarHBondContact O-CG2 3.43Å |
| 386 | N | 70.4 | Confident | 63.6 | Low | 139 Ų | 139 | 110.5 Ų | 110.5 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.2 | -22.2 | -177.1 | -160.2 | 28.1 | 0 | 0 | 0 | 114.2 | T384 | T384-N386 VanDerWaalsContact C-N 3.26Å; T384-N386 PolarHBondContact O-N 3.02Å |
| 387 | T | 66.6 | Low | 62.4 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -91.5 | -25 | -177 | 42.7 | 0 | 0 | 0 | 0 | 113.7 | T384 W385 | T384-T387 PolarHBondContact O-N 3.35Å; T384-T387 VanDerWaalsContact O-N 3.17Å; T384-T387 PolarHBondContact O-OG1 3.2Å; W385-T387 PolarHBondContact O-N 3.2Å |
| 388 | N | 58 | Low | 61.1 | Low | 74 Ų | 74 | 108 Ų | 108 | 40% | 0.396 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -110.9 | 7.6 | -168.7 | -67.4 | -23.9 | 0 | 0 | 0 | 114.7 | T384 G390 I391 | T384-N388 PolarHBondContact O-N 2.87Å; N388-G390 PolarHBondContact O-N 3.43Å; N388-G390 VanDerWaalsContact O-N 3.07Å; N388-I391 PolarHBondContact O-N 3.46Å |
| 389 | V | 59.8 | Low | 60 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -54.1 | -32.6 | -177.2 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | W385 I391 | W385-V389 WeakPolarHBondContact O-CG2 3.43Å; V389-I391 PolarHBondContact O-N 3.45Å |
| 390 | G | 52.6 | Low | 58.7 | Low | 85 Ų | 85 | 110 Ų | 110 | 88% | 0.876 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -80.3 | -3.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | N388 | N388-G390 PolarHBondContact O-N 3.43Å; N388-G390 VanDerWaalsContact O-N 3.07Å |
| 391 | I | 54.1 | Low | 57.2 | Low | 139 Ų | 139 | 108 Ų | 108 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -107.1 | -5.3 | -178.5 | -57.2 | 172.8 | 0 | 0 | 0 | 111.2 | N388 V389 N393 | N388-I391 PolarHBondContact O-N 3.46Å; V389-I391 PolarHBondContact O-N 3.45Å; I391-N393 PolarHBondContact O-N 3.43Å |
| 392 | I | 50.9 | Low | 55.6 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | trans | -78.8 | 95.6 | -176.5 | -52.8 | 174.9 | 0 | 0 | 0 | 109.3 | ||||
| 393 | N | 57.7 | Low | 53.5 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | trans | -86.6 | 117.9 | 158.7 | -103.5 | 5.8 | 0 | 0 | 0 | 107.7 | I391 D395 | I391-N393 PolarHBondContact O-N 3.43Å; N393-D395 PolarHBondContact O-N 3.33Å | ||
| 394 | E | 57.1 | Low | 51.6 | Low | 165 Ų | 165 | 113.8 Ų | 113.8 | 77% | 0.771 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -65.7 | -25.6 | -177.7 | -64.8 | -166.1 | 159.4 | 0 | 0 | 113.2 | ||
| 395 | D | 53.3 | Low | 49.6 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 49% | 0.487 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -134.7 | 122.8 | 174.1 | -77.2 | -42.6 | 0 | 0 | 0 | 111.7 | N393 G397 | N393-D395 PolarHBondContact O-N 3.33Å; D395-G397 PolarHBondContact O-N 3.06Å; D395-G397 VanDerWaalsContact O-N 3.14Å |
| 396 | P | 49.2 | Very low | 48 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 44% | 0.435 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | 110.4 | 170.3 | 4.9 | 6.3 | 0 | 0 | 0 | 109.2 | L359 | L359-P396 HydrophobicContact CD1-CB 4.22Å; L359-P396 HydrophobicContact CD1-CG 3.77Å |
| 397 | G | 46.2 | Very low | 46 | Very low | 41 Ų | 41 | 115.6 Ų | 115.6 | 42% | 0.423 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 125.1 | -19.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q360 D395 C399 | Q360-G397 WeakPolarHBondContact O-CA 3.23Å; D395-G397 PolarHBondContact O-N 3.06Å; D395-G397 VanDerWaalsContact O-N 3.14Å; G397-C399 VanDerWaalsContact C-N 3.33Å; G397-C399 PolarHBondContact O-N 3.14Å |
| 398 | N | 43.9 | Very low | 44.1 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | trans | -92.8 | 65.2 | 175.5 | -159.1 | 15.7 | 0 | 0 | 0 | 110.9 | E400 | N398-E400 VanDerWaalsContact C-N 3.26Å; N398-E400 PolarHBondContact O-N 3.09Å | ||
| 399 | C | 45.2 | Very low | 42.6 | Very low | 88 Ų | 88 | 122 Ų | 122 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | trans | -87.6 | 16.1 | 178.4 | -71.5 | 0 | 0 | 0 | 0 | 113.2 | G397 G401 | G397-C399 VanDerWaalsContact C-N 3.33Å; G397-C399 PolarHBondContact O-N 3.14Å; C399-G401 VanDerWaalsContact C-N 3.25Å; C399-G401 PolarHBondContact O-N 3.04Å | ||
| 400 | E | 41.3 | Very low | 41.2 | Very low | 187 Ų | 187 | 126 Ų | 126 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -76.8 | -8.5 | -177 | -68.9 | -163.7 | 156.5 | 0 | 0 | 114 | N398 | N398-E400 VanDerWaalsContact C-N 3.26Å; N398-E400 PolarHBondContact O-N 3.09Å |
| 401 | G | 39.2 | Very low | 39.9 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -109.3 | -23.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | C399 | C399-G401 VanDerWaalsContact C-N 3.25Å; C399-G401 PolarHBondContact O-N 3.04Å |
| 402 | V | 36.8 | Very low | 38.8 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | trans | -110.9 | 78.1 | -169.6 | -170 | 0 | 0 | 0 | 0 | 110.6 | R404 | V402-R404 PolarHBondContact O-N 3.4Š| ||
| 403 | K | 31.8 | Very low | 37.7 | Very low | 201 Ų | 201 | 130.7 Ų | 130.7 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -61.8 | 107.8 | 160.3 | -78 | -176.8 | -179.9 | 176.5 | 0 | 108 | T405 | K403-T405 PolarHBondContact O-N 2.86Š| ||
| 404 | R | 34.5 | Very low | 36.6 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -46.2 | 102.4 | 171.6 | -68.1 | 173.9 | 172.5 | 135.2 | -1.7 | 111.3 | V402 L406 | V402-R404 PolarHBondContact O-N 3.4Å; R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.25Å | ||
| 405 | T | 25.2 | Very low | 35.3 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | -79.5 | 87.8 | 155.9 | 17.6 | 0 | 0 | 0 | 0 | 108.2 | K403 S407 | K403-T405 PolarHBondContact O-N 2.86Å; T405-S407 VanDerWaalsContact C-N 3.35Å; T405-S407 PolarHBondContact O-N 3.44Å | ||
| 406 | L | 33.8 | Very low | 34.2 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 87 | 167.5 | -111.7 | 150.9 | 0 | 0 | 0 | 109 | R404 | R404-L406 VanDerWaalsContact C-N 3.31Å; R404-L406 PolarHBondContact O-N 3.25Å | ||
| 407 | S | 29.3 | Very low | 33.4 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -178.9 | 78.4 | 156.1 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | T405 | T405-S407 VanDerWaalsContact C-N 3.35Å; T405-S407 PolarHBondContact O-N 3.44Å | ||
| 408 | F | 27.3 | Very low | 32.9 | Very low | 203 Ų | 203 | 148 Ų | 148 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -129.8 | 84.1 | 149.5 | -98.5 | -82.3 | 0 | 0 | 0 | 109 | L410 | F408-L410 PolarHBondContact O-N 2.91Å; F408-L410 VanDerWaalsContact O-N 3.16Å | ||
| 409 | S | 26.4 | Very low | 32.2 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -72.4 | 93.2 | 161.1 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | R411 | S409-R411 VanDerWaalsContact C-N 3.29Å; S409-R411 PolarHBondContact O-N 3.49Å | ||
| 410 | L | 29 | Very low | 31.8 | Very low | 165 Ų | 165 | 158 Ų | 158 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -72.5 | 91.9 | 166.4 | -88.6 | 160.7 | 0 | 0 | 0 | 108.6 | F408 S412 | F408-L410 PolarHBondContact O-N 2.91Å; F408-L410 VanDerWaalsContact O-N 3.16Å; L410-S412 PolarHBondContact O-N 3.44Å | ||
| 411 | R | 26.1 | Very low | 31.4 | Very low | 238 Ų | 238 | 158.1 Ų | 158.1 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -59 | 122 | 166 | -155.6 | 179.7 | -154.4 | -164.2 | 5.6 | 107.9 | S409 G413 | S409-R411 VanDerWaalsContact C-N 3.29Å; S409-R411 PolarHBondContact O-N 3.49Å; R411-G413 PolarHBondContact O-N 2.85Å | ||
| 412 | S | 30.9 | Very low | 31.1 | Very low | 126 Ų | 126 | 162.3 Ų | 162.3 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -60.3 | 107.4 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L410 | L410-S412 PolarHBondContact O-N 3.44Š| ||
| 413 | G | 27.3 | Very low | 30.7 | Very low | 63 Ų | 63 | 167.7 Ų | 167.7 | 65% | 0.649 | 84% | 0.842 | S | S | * | * | trans | -121 | 114.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | R411 V415 | R411-G413 PolarHBondContact O-N 2.85Å; G413-V415 PolarHBondContact O-N 3.02Å | ||
| 414 | R | 35.4 | Very low | 30.6 | Very low | 252 Ų | 252 | 162.5 Ų | 162.5 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -56.5 | 121.7 | 170.1 | -70.2 | 176.1 | -177.4 | 171.6 | 0.3 | 109.4 | ||||
| 415 | V | 29.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 159.5 Ų | 159.5 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -133.9 | 118.8 | 158.8 | -177 | 0 | 0 | 0 | 0 | 109.3 | G413 | G413-V415 PolarHBondContact O-N 3.02Š| ||
| 416 | S | 29.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 159.1 Ų | 159.1 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -66.9 | 142 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 417 | G | 33.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 156.9 Ų | 156.9 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | 39.8 | 122.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 418 | R | 35.4 | Very low | 30.3 | Very low | 245 Ų | 245 | 160.1 Ų | 160.1 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | 102.7 | 123.4 | 149.8 | -66 | 177.5 | 169 | 171.5 | -3.6 | 118.1 | ||||
| 419 | N | 28.4 | Very low | 30.4 | Very low | 155 Ų | 155 | 158.7 Ų | 158.7 | 83% | 0.829 | 84% | 0.838 | S | S | * | * | trans | 109.4 | 75.6 | 156.6 | -67.3 | -5.6 | 0 | 0 | 0 | 116.8 | K421 | N419-K421 PolarHBondContact O-N 3.46Š| ||
| 420 | W | 36.3 | Very low | 30.4 | Very low | 257 Ų | 257 | 164.4 Ų | 164.4 | 97% | 0.973 | 84% | 0.842 | S | S | * | * | trans | -71 | 108.8 | 147.2 | -93.2 | 5.7 | 0 | 0 | 0 | 109.5 | ||||
| 421 | K | 32.8 | Very low | 30.3 | Very low | 190 Ų | 190 | 164.5 Ų | 164.5 | 83% | 0.826 | 84% | 0.843 | S | S | * | * | trans | 168.5 | 92.5 | 154.5 | -94.5 | 163.7 | -169.4 | -169.3 | 0 | 104.8 | N419 | N419-K421 PolarHBondContact O-N 3.46Š| ||
| 422 | N | 32.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 157.9 Ų | 157.9 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | trans | 156.4 | 71.6 | 160 | -76.6 | -11.2 | 0 | 0 | 0 | 109.4 | ||||
| 423 | F | 29.3 | Very low | 30 | Very low | 225 Ų | 225 | 157.5 Ų | 157.5 | 99% | 0.987 | 84% | 0.837 | S | S | * | * | trans | -133.4 | 77 | 155.8 | -99.7 | -82 | 0 | 0 | 0 | 107.4 | ||||
| 424 | A | 29.8 | Very low | 29.9 | Very low | 92 Ų | 92 | 161.6 Ų | 161.6 | 76% | 0.76 | 85% | 0.849 | S | S | * | * | trans | -107.6 | 106.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 425 | L | 29.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | 173.8 | 108.7 | 132.9 | -121.6 | 75.9 | 0 | 0 | 0 | 109.1 | P427 | L425-P427 WeakPolarHBondContact O-CD 3.49Š| ||
| 426 | V | 26.8 | Very low | 29.3 | Very low | 129 Ų | 129 | 160.1 Ų | 160.1 | 78% | 0.782 | 84% | 0.839 | S | S | * | * | trans | -75.5 | 123.2 | 155.2 | 171.2 | 0 | 0 | 0 | 0 | 106.7 | L428 | V426-L428 PolarHBondContact O-N 3.41Š| ||
| 427 | P | 31.4 | Very low | 29 | Very low | 110 Ų | 110 | 166 Ų | 166 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | trans | -84.5 | 103.4 | 166.4 | -5.9 | 24.7 | 0 | 0 | 0 | 109 | L425 L429 | L425-P427 WeakPolarHBondContact O-CD 3.49Å; P427-L429 PolarHBondContact O-N 2.97Å | ||
| 428 | L | 29 | Very low | 28.6 | Very low | 163 Ų | 163 | 171.4 Ų | 171.4 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | trans | -60.4 | 108.6 | 155.5 | -87.2 | 159.1 | 0 | 0 | 0 | 108 | V426 R430 | V426-L428 PolarHBondContact O-N 3.41Å; L428-R430 PolarHBondContact O-N 3.28Å | ||
| 429 | L | 28.1 | Very low | 28.1 | Very low | 173 Ų | 173 | 164.6 Ų | 164.6 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -80.1 | 111.1 | 169.9 | -106.5 | 163 | 0 | 0 | 0 | 108.9 | P427 | P427-L429 PolarHBondContact O-N 2.97Š| ||
| 430 | R | 27.5 | Very low | 28 | Very low | 233 Ų | 233 | 164.1 Ų | 164.1 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -81.5 | 124.2 | 178.9 | -175.6 | 178.9 | -169.4 | 164.5 | 2.4 | 109 | L428 | L428-R430 PolarHBondContact O-N 3.28Š| ||
| 431 | D | 27.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 161 Ų | 161 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | trans | -58.3 | 130.3 | 169.5 | -81.4 | -41.6 | 0 | 0 | 0 | 111.4 | ||||
| 432 | A | 25 | Very low | 27.3 | Very low | 98 Ų | 98 | 157.8 Ų | 157.8 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -153.5 | 98.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 433 | S | 25.3 | Very low | 27 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | 163.1 | 93.5 | 134.3 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 434 | T | 25.2 | Very low | 26.8 | Very low | 149 Ų | 149 | 157 Ų | 157 | 91% | 0.914 | 83% | 0.832 | S | S | * | * | trans | -131.4 | 116.6 | 150.9 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 435 | R | 28 | Very low | 26.7 | Very low | 228 Ų | 228 | 159.2 Ų | 159.2 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -125.3 | 136.3 | 155.3 | -103 | -170.4 | 167 | 162 | -4.6 | 103.3 | ||||
| 436 | D | 24.5 | Very low | 26.4 | Very low | 134 Ų | 134 | 159.4 Ų | 159.4 | 72% | 0.717 | 83% | 0.833 | S | S | * | * | cis | -155.3 | 147.5 | 21.2 | -78.8 | -53.9 | 0 | 0 | 0 | 108.4 | ||||
| 437 | R | 24.1 | Very low | 26.5 | Very low | 240 Ų | 240 | 161.4 Ų | 161.4 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | 179.7 | 127.8 | 127.3 | -106.1 | 177 | 171.5 | 179.7 | -2.6 | 114.2 | |||||
| 438 | H | 24.8 | Very low | 26.3 | Very low | 177 Ų | 177 | 165.3 Ų | 165.3 | 82% | 0.819 | 84% | 0.844 | S | S | * | * | trans | 11.7 | 125.2 | 157.8 | -82.1 | -70.8 | 0 | 0 | 0 | 123.6 | ||||
| 439 | S | 25.3 | Very low | 26.1 | Very low | 103 Ų | 103 | 165.7 Ų | 165.7 | 72% | 0.72 | 84% | 0.841 | S | S | * | * | trans | -18.6 | 128 | 149.4 | 55.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 440 | T | 25 | Very low | 26 | Very low | 144 Ų | 144 | 168.4 Ų | 168.4 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | trans | -146.4 | 136.4 | 141 | 0.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 441 | Q | 26.1 | Very low | 25.9 | Very low | 192 Ų | 192 | 163.4 Ų | 163.4 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 151.4 | -173.9 | -69.9 | -179.3 | -25.8 | 0 | 0 | 113.7 | ||
| 442 | P | 28.4 | Very low | 25.9 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 129.3 | 159.1 | 25.6 | -11.9 | 0 | 0 | 0 | 111.8 | ||
| 443 | E | 27.2 | Very low | 26.1 | Very low | 195 Ų | 195 | 160 Ų | 160 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.8 | 166.3 | -87.4 | 176.4 | 137.5 | 0 | 0 | 111.5 | ||
| 444 | E | 25.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 162.9 Ų | 162.9 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.5 | 167.1 | -75.9 | 180 | 136.7 | 0 | 0 | 111.1 | ||
| 445 | V | 26.8 | Very low | 26.6 | Very low | 138 Ų | 138 | 164.8 Ų | 164.8 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | trans | -127.8 | 112 | 152.4 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 446 | Q | 24.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 159.8 Ų | 159.8 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -66.1 | 131.8 | -178.8 | -64.3 | 175.1 | -10.7 | 0 | 0 | 111.8 | ||||
| 447 | L | 28.1 | Very low | 27.1 | Very low | 171 Ų | 171 | 161.9 Ų | 161.9 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -108.4 | 119 | 159.7 | -122.7 | 102.1 | 0 | 0 | 0 | 109.2 | ||||
| 448 | K | 28.3 | Very low | 27.3 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -65.2 | 133.9 | -179.9 | -84.1 | 177.4 | 173.9 | 175.9 | 0 | 112.1 | ||||
| 449 | H | 23.4 | Very low | 27.7 | Very low | 171 Ų | 171 | 154 Ų | 154 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -59.4 | 135.9 | 162.6 | -106.3 | -83.9 | 0 | 0 | 0 | 111.5 | ||||
| 450 | Y | 25.8 | Very low | 27.9 | Very low | 230 Ų | 230 | 157.7 Ų | 157.7 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -126.6 | 117 | 155.3 | -121.9 | -90.3 | 0 | 0 | 0 | 109 | ||||
| 451 | T | 25.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -89.2 | 130.7 | 174.5 | 20.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 452 | G | 27.8 | Very low | 28.3 | Very low | 82 Ų | 82 | 157.2 Ų | 157.2 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -167.6 | 93.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 453 | S | 27.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 159.9 Ų | 159.9 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -70.4 | 143.9 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 454 | L | 29.9 | Very low | 28.6 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | trans | -166.7 | 138 | 142.9 | -99.5 | 144.2 | 0 | 0 | 0 | 111.5 | ||||
| 455 | K | 32.1 | Very low | 28.8 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -76.7 | 165.6 | -171.3 | -82.3 | 177.5 | 174.3 | 178.4 | 0 | 113.9 | ||||
| 456 | P | 33.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | trans | -93.9 | 123.1 | 177.5 | 35 | -25.9 | 0 | 0 | 0 | 111.4 | ||||
| 457 | E | 29 | Very low | 29.7 | Very low | 178 Ų | 178 | 155.5 Ų | 155.5 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -130.7 | 148.9 | 159.1 | -71.1 | -171.7 | 165.3 | 0 | 0 | 108.2 | ||||
| 458 | D | 29.1 | Very low | 30.4 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | trans | 89.5 | 74 | 169.8 | -47.7 | -26.9 | 0 | 0 | 0 | 118.1 | ||||
| 459 | A | 31.7 | Very low | 30.6 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | -83.2 | 110.3 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 460 | E | 31 | Very low | 31.2 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 85% | 0.846 | 84% | 0.84 | S | S | * | * | trans | -103 | 118.4 | 166.9 | -78.4 | -162.6 | 153.9 | 0 | 0 | 111.6 | ||||
| 461 | V | 31.4 | Very low | 31.7 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 73% | 0.733 | 86% | 0.856 | S | S | * | * | trans | -91.2 | 134.5 | 166.3 | 167.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 462 | F | 27.7 | Very low | 32 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 90% | 0.895 | 86% | 0.86 | S | S | * | * | trans | -135.4 | 136.3 | 158.5 | -117.9 | -87.9 | 0 | 0 | 0 | 112.4 | ||||
| 463 | K | 30.5 | Very low | 32.2 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 78% | 0.778 | 86% | 0.861 | S | S | * | * | trans | -86.6 | 153.6 | -162.6 | -89.2 | 168.6 | 162.1 | 171.4 | 0 | 114 | ||||
| 464 | D | 30.1 | Very low | 32.4 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 86% | 0.861 | 87% | 0.865 | S | S | * | * | trans | -58.4 | 147.4 | 153.9 | -77.3 | -45.2 | 0 | 0 | 0 | 112.4 | ||||
| 465 | S | 31 | Very low | 32.6 | Very low | 121 Ų | 121 | 158.2 Ų | 158.2 | 85% | 0.846 | 86% | 0.861 | S | S | * | * | trans | -143.8 | 109.3 | 160.6 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 466 | M | 32.1 | Very low | 32.6 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 95% | 0.946 | 86% | 0.863 | S | S | * | * | trans | -67 | 141.1 | 162 | -126.3 | 173 | 176.3 | 0 | 0 | 109.5 | ||||
| 467 | A | 37.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 158.5 Ų | 158.5 | 83% | 0.826 | 87% | 0.868 | S | S | * | * | trans | -116.6 | 132.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 468 | P | 43.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 85% | 0.851 | 87% | 0.87 | S | S | * | * | trans | -112.7 | 150.9 | 154.8 | 35.5 | -24.4 | 0 | 0 | 0 | 110.6 | ||||
| 469 | G | 32.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 157.7 Ų | 157.7 | 81% | 0.814 | 88% | 0.876 | S | S | * | * | trans | 163.9 | 113.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 470 | E | 34.8 | Very low | 33.2 | Very low | 195 Ų | 195 | 162.3 Ų | 162.3 | 91% | 0.911 | 88% | 0.879 | S | S | * | * | trans | -56.4 | 142.8 | 174 | -63.3 | 162.3 | 129.5 | 0 | 0 | 114.5 | ||||
| 471 | K | 36.2 | Very low | 33.4 | Very low | 284 Ų | 284 | 160.6 Ų | 160.6 | 100% | 1.235 | 88% | 0.882 | S | S | * | * | -167.7 | 0 | 119.6 | -107.3 | -179.2 | -176.1 | -179.6 | 0 | 111.3 |
Retrieved 471 of 471 residues in 88.8 ms
(Link to these results)