| 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 | 66.8 | Low | 86.3 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | 0 | 139.1 | 0 | -69.9 | -59.8 | -102.8 | 0 | 0 | 109.8 | N56 R103 | M1-N56 WeakPolarHBondContact CB-OD1 3.45Å; M1-N56 VanDerWaalsContact CG-OD1 3.26Å; M1-N56 WeakPolarHBondContact CG-OD1 3.41Å; M1-R103 WeakPolarHBondContact O-CD 3.42Å; M1-R103 PolarHBondContact O-NE 3.26Å | |||
| 2 | S | 84.1 | Confident | 87.3 | Confident | 15 Ų | 15 | 76 Ų | 76 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | trans | -69.3 | 156.7 | -178 | 177 | 0 | 0 | 0 | 0 | 112.8 | I4 E107 | S2-I4 PolarHBondContact OG-N 3.04Å; S2-I4 VanDerWaalsContact OG-N 3.15Å; S2-I4 PolarHBondContact OG-O 2.76Å; S2-I4 VanDerWaalsContact OG-O 3.06Å; S2-E107 WeakPolarHBondContact CA-OE1 3.4Å; S2-E107 VanDerWaalsContact CA-OE2 3.25Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.49Å; S2-E107 WeakPolarHBondContact CB-OE1 3.5Å; S2-E107 WeakPolarHBondContact CB-OE2 3.33Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.49Å | ||
| 3 | W | 83 | Confident | 88.1 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -71.8 | -31.3 | 169.9 | -78.4 | 78.5 | 0 | 0 | 0 | 112.6 | F55 K100 F101 L104 E107 I118 | W3-F55 AromaticContact CD1-CZ 3.9Å; W3-F55 HydrophobicContact CD2-CE2 4.09Å; W3-F55 AromaticContact CD2-CZ 3.77Å; W3-F55 HydrophobicContact CD2-CZ 3.77Å; W3-F55 AromaticContact CE2-CE2 3.78Å; W3-F55 AromaticContact CE2-CZ 3.65Å; W3-F55 HydrophobicContact CE3-CE2 4.41Å; W3-F55 HydrophobicContact CE3-CZ 4.41Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.7Å; W3-K100 HydrophobicContact CZ2-CB 4.07Å; W3-K100 PolarHBondContact NE1-O 2.66Å; W3-F101 HydrophobicContact CH2-CE1 4.24Å; W3-F101 HydrophobicContact CH2-CZ 4.41Å; W3-F101 HydrophobicContact CZ2-CD1 4.33Å; W3-F101 HydrophobicContact CZ2-CE1 4.17Å; W3-F101 HydrophobicContact CZ2-CZ 4.49Å; W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.77Å; W3-L104 HydrophobicContact CE3-CD1 4.46Å; W3-L104 HydrophobicContact CG-CD1 3.45Å; W3-L104 VanDerWaalsContact CG-CD1 3.45Å; W3-E107 PolarHBondContact N-OE2 3.48Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; W3-I118 HydrophobicContact CE3-CD1 4.12Å; W3-I118 HydrophobicContact CZ3-CD1 4.34Å |
| 4 | I | 82.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | trans | -104.8 | 110.9 | 177.7 | -61.4 | 170.3 | 0 | 0 | 0 | 108.1 | S2 K110 L111 H114 V116 | S2-I4 PolarHBondContact OG-N 3.04Å; S2-I4 VanDerWaalsContact OG-N 3.15Å; S2-I4 PolarHBondContact OG-O 2.76Å; S2-I4 VanDerWaalsContact OG-O 3.06Å; I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.34Å; I4-L111 HydrophobicContact CD1-CD2 3.76Å; I4-L111 HydrophobicContact CD1-CG 4.28Å; I4-L111 HydrophobicContact CG1-CD2 4.27Å; I4-H114 HydrophobicContact CD1-CB 4.37Å; I4-V116 HydrophobicContact CD1-CG2 4.03Å; I4-V116 HydrophobicContact CG1-CG2 4.47Å | ||
| 5 | K | 82.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 78 Ų | 78 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | trans | -90.5 | 124.1 | 162.8 | -72.6 | -177.3 | 174.4 | 174.6 | 0 | 107.9 | N56 A59 E60 R63 | K5-N56 PolarHBondContact NZ-O 3.28Å; K5-A59 HydrophobicContact CD-CB 4.21Å; K5-A59 HydrophobicContact CG-CB 4.14Å; K5-E60 HydrophobicContact CD-CB 4.12Å; K5-R63 WeakPolarHBondContact O-CB 3.45Å; K5-R63 WeakPolarHBondContact O-CD 3.48Å; K5-R63 VanDerWaalsContact O-CG 3.29Å; K5-R63 WeakPolarHBondContact O-CG 3.39Å | ||
| 6 | E | 83.1 | Confident | 90 | Very high | 110 Ų | 110 | 74.7 Ų | 74.7 | 51% | 0.514 | 36% | 0.362 | S | S | . | . | trans | -81.4 | 155 | 166.5 | -66.7 | -179.5 | 164.6 | 0 | 0 | 109.1 | R63 K113 H114 | E6-R63 PolarHBondContact O-NH1 3.09Å; E6-K113 IonicContact OE1-NZ 3.77Å; E6-K113 PolarHBondContact OE1-NZ 2.82Å; E6-H114 IonicContact OE1-CE1 2.66Å; E6-H114 PolarHBondContact OE1-CE1 3.46Å; E6-H114 IonicContact OE1-NE2 3.03Å | ||
| 7 | G | 86.1 | Confident | 90.4 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | trans | 148.4 | 137.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R63 N67 | G7-R63 WeakPolarHBondContact O-CD 3.46Å; G7-N67 PolarHBondContact O-ND2 3.23Å | ||
| 8 | E | 92.1 | Very high | 90.8 | Very high | 162 Ų | 162 | 72.1 Ų | 72.1 | 76% | 0.757 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 160.2 | 177.1 | -62.4 | -167.6 | 177 | 0 | 0 | 111.8 | R14 | E8-R14 IonicContact OE2-NH1 3.32Š|
| 9 | L | 95.1 | Very high | 91.2 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 140.4 | 167.8 | -61.5 | -180 | 0 | 0 | 0 | 109.7 | E13 R14 A17 N67 L68 F203 | L9-E13 HydrophobicContact CB-CB 3.91Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; L9-R14 HydrophobicContact CB-CB 4.15Å; L9-A17 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD2-CB 4.02Å; L9-N67 HydrophobicContact CG-CB 3.79Å; L9-L68 HydrophobicContact CD1-CD2 4.36Å; L9-F203 HydrophobicContact CD1-CE2 4.15Å; L9-F203 HydrophobicContact CD1-CZ 4.49Å; L9-F203 HydrophobicContact CD2-CD2 3.89Å; L9-F203 HydrophobicContact CD2-CE2 3.67Å |
| 10 | S | 97.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 70.1 Ų | 70.1 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 169.3 | 170.7 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | W12 E13 R14 | S10-W12 VanDerWaalsContact C-N 3.34Å; S10-W12 PolarHBondContact O-N 3.41Å; S10-E13 WeakPolarHBondContact CB-OE2 3.15Å; S10-E13 PolarHBondContact N-OE2 3.06Å; S10-E13 PolarHBondContact O-N 2.92Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.42Å; S10-R14 PolarHBondContact O-N 3.46Å |
| 11 | L | 97.9 | Very high | 91.8 | Very high | 120 Ų | 120 | 71 Ų | 71 | 63% | 0.628 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -53.2 | -48.5 | -176.7 | -178.7 | 65.8 | 0 | 0 | 0 | 112.8 | F15 | L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 3.22Å |
| 12 | W | 97.7 | Very high | 93.3 | Very high | 171 Ų | 171 | 70.3 Ų | 70.3 | 65% | 0.648 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.4 | -41 | -179 | -74.9 | 116.5 | 0 | 0 | 0 | 112.6 | S10 R14 F15 C16 W204 | S10-W12 VanDerWaalsContact C-N 3.34Å; S10-W12 PolarHBondContact O-N 3.41Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.4Å; W12-F15 HydrophobicContact CE3-CD1 4.13Å; W12-F15 HydrophobicContact CZ3-CD1 4.12Å; W12-F15 HydrophobicContact CZ3-CE1 4.42Å; W12-F15 PolarHBondContact O-N 2.86Å; W12-C16 WeakPolarHBondContact O-CB 3.24Å; W12-C16 PolarHBondContact O-N 2.95Å; W12-C16 PolarHBondContact O-SG 3.29Å; W12-C16 VanDerWaalsContact O-SG 3.34Å; W12-W204 HydrophobicContact CB-CH2 4.13Å; W12-W204 HydrophobicContact CB-CZ2 4.33Å |
| 13 | E | 98.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 176 | -65.7 | 170.3 | 144.9 | 0 | 0 | 110.7 | L9 S10 A17 F203 W204 | L9-E13 HydrophobicContact CB-CB 3.91Å; L9-E13 HydrophobicContact CD2-CB 4.32Å; S10-E13 WeakPolarHBondContact CB-OE2 3.15Å; S10-E13 PolarHBondContact N-OE2 3.06Å; S10-E13 PolarHBondContact O-N 2.92Å; S10-E13 WeakPolarHBondContact OG-CG 3.39Å; S10-E13 PolarHBondContact OG-OE2 3.09Å; E13-A17 WeakPolarHBondContact O-CB 3.49Å; E13-A17 PolarHBondContact O-N 3.43Å; E13-F203 HydrophobicContact CB-CD1 3.93Å; E13-F203 HydrophobicContact CB-CD2 4.45Å; E13-F203 HydrophobicContact CB-CE1 3.69Å; E13-F203 HydrophobicContact CB-CE2 4.25Å; E13-F203 HydrophobicContact CB-CG 4.3Å; E13-F203 HydrophobicContact CB-CZ 3.86Å; E13-F203 HydrophobicContact CG-CB 4.36Å; E13-F203 HydrophobicContact CG-CD1 3.5Å; E13-F203 HydrophobicContact CG-CD2 4.4Å; E13-F203 HydrophobicContact CG-CE1 3.8Å; E13-F203 HydrophobicContact CG-CG 3.83Å; E13-F203 HydrophobicContact CG-CZ 4.37Å; E13-F203 VanDerWaalsContact OE1-CB 3.28Å; E13-F203 WeakPolarHBondContact OE1-CB 3.26Å; E13-W204 HydrophobicContact CG-CH2 4.19Å; E13-W204 HydrophobicContact CG-CZ2 3.96Å |
| 14 | R | 97.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 71.7 Ų | 71.7 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 176.7 | -176.9 | 168.6 | 63.7 | -158.7 | 0.7 | 112.2 | E8 L9 S10 W12 A17 N18 | E8-R14 IonicContact OE2-NH1 3.32Å; L9-R14 HydrophobicContact CB-CB 4.15Å; S10-R14 VanDerWaalsContact O-CB 3.29Å; S10-R14 WeakPolarHBondContact O-CB 3.42Å; S10-R14 PolarHBondContact O-N 3.46Å; W12-R14 VanDerWaalsContact C-N 3.32Å; W12-R14 PolarHBondContact O-N 3.4Å; R14-A17 PolarHBondContact O-N 3.29Å; R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.16Å; R14-N18 PolarHBondContact O-ND2 2.9Å |
| 15 | F | 98.2 | Very high | 95.3 | Very high | 113 Ų | 113 | 72.6 Ų | 72.6 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.3 | -52.2 | 176.5 | 175.5 | -101.6 | 0 | 0 | 0 | 111.1 | L11 W12 A17 N18 I19 | L11-F15 WeakPolarHBondContact O-CB 3.48Å; L11-F15 PolarHBondContact O-N 3.22Å; W12-F15 HydrophobicContact CE3-CD1 4.13Å; W12-F15 HydrophobicContact CZ3-CD1 4.12Å; W12-F15 HydrophobicContact CZ3-CE1 4.42Å; W12-F15 PolarHBondContact O-N 2.86Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 3.04Å; F15-N18 PolarHBondContact O-N 3.3Å; F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 3.52Å; F15-I19 HydrophobicContact CE2-CD1 4.38Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 PolarHBondContact O-N 3.1Å |
| 16 | C | 98.1 | Very high | 96.1 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 17% | 0.169 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -41 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.8 | W12 N18 I19 I20 W204 F207 | W12-C16 WeakPolarHBondContact O-CB 3.24Å; W12-C16 PolarHBondContact O-N 2.95Å; W12-C16 PolarHBondContact O-SG 3.29Å; W12-C16 VanDerWaalsContact O-SG 3.34Å; C16-N18 VanDerWaalsContact C-N 3.33Å; C16-N18 PolarHBondContact O-N 2.94Å; C16-I19 WeakPolarHBondContact O-CB 3.49Å; C16-I19 PolarHBondContact O-N 3.27Å; C16-I19 VanDerWaalsContact O-N 3.17Å; C16-I20 WeakPolarHBondContact O-CG1 3.27Å; C16-I20 PolarHBondContact O-N 2.97Å; C16-I20 VanDerWaalsContact O-N 3.07Å; C16-W204 HydrophobicContact CB-CZ3 4.18Å; C16-F207 HydrophobicContact CB-CD2 4.27Å; C16-F207 HydrophobicContact CB-CE2 3.64Å; C16-F207 HydrophobicContact CB-CZ 3.97Å |
| 17 | A | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L9 E13 R14 F15 I19 I20 K21 L68 | L9-A17 HydrophobicContact CD1-CB 4.02Å; E13-A17 WeakPolarHBondContact O-CB 3.49Å; E13-A17 PolarHBondContact O-N 3.43Å; R14-A17 PolarHBondContact O-N 3.29Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 3.04Å; A17-I19 VanDerWaalsContact C-N 3.28Å; A17-I19 PolarHBondContact O-N 2.96Å; A17-I20 VanDerWaalsContact O-CG1 3.29Å; A17-I20 WeakPolarHBondContact O-CG1 3.39Å; A17-I20 PolarHBondContact O-N 3.44Å; A17-K21 VanDerWaalsContact O-CB 3.29Å; A17-K21 WeakPolarHBondContact O-CB 3.33Å; A17-K21 WeakPolarHBondContact O-CG 3.45Å; A17-K21 PolarHBondContact O-N 2.79Å; A17-L68 HydrophobicContact CB-CD2 3.51Å |
| 18 | N | 97.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 71.1 Ų | 71.1 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 178.4 | -71.3 | -14.9 | 0 | 0 | 0 | 112.2 | R14 F15 C16 | R14-N18 VanDerWaalsContact O-CG 3.25Å; R14-N18 PolarHBondContact O-N 3.16Å; R14-N18 PolarHBondContact O-ND2 2.9Å; F15-N18 PolarHBondContact O-N 3.3Å; C16-N18 VanDerWaalsContact C-N 3.33Å; C16-N18 PolarHBondContact O-N 2.94Å |
| 19 | I | 98 | Very high | 97.5 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66 | -52.3 | 175.6 | -64.5 | 169.4 | 0 | 0 | 0 | 110.4 | F15 C16 A17 K21 A22 | F15-I19 HydrophobicContact CD1-CD1 4.04Å; F15-I19 HydrophobicContact CE1-CD1 3.52Å; F15-I19 HydrophobicContact CE2-CD1 4.38Å; F15-I19 HydrophobicContact CZ-CD1 3.72Å; F15-I19 PolarHBondContact O-N 3.1Å; C16-I19 WeakPolarHBondContact O-CB 3.49Å; C16-I19 PolarHBondContact O-N 3.27Å; C16-I19 VanDerWaalsContact O-N 3.17Å; A17-I19 VanDerWaalsContact C-N 3.28Å; A17-I19 PolarHBondContact O-N 2.96Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.36Å; I19-A22 VanDerWaalsContact O-CB 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.04Å; I19-A22 VanDerWaalsContact O-N 3.13Å |
| 20 | I | 97.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -28.7 | -178.3 | 58.1 | 165.5 | 0 | 0 | 0 | 112.4 | C16 A17 A22 G23 M25 F207 I210 L211 Q214 | C16-I20 WeakPolarHBondContact O-CG1 3.27Å; C16-I20 PolarHBondContact O-N 2.97Å; C16-I20 VanDerWaalsContact O-N 3.07Å; A17-I20 VanDerWaalsContact O-CG1 3.29Å; A17-I20 WeakPolarHBondContact O-CG1 3.39Å; A17-I20 PolarHBondContact O-N 3.44Å; I20-A22 PolarHBondContact O-N 3.38Å; I20-G23 PolarHBondContact O-N 2.76Å; I20-M25 HydrophobicContact CD1-CE 4.48Å; I20-M25 HydrophobicContact CD1-SD 4.4Å; I20-M25 HydrophobicContact CG1-SD 4.41Å; I20-F207 HydrophobicContact CB-CE2 4.24Å; I20-F207 HydrophobicContact CD1-CD2 3.59Å; I20-F207 HydrophobicContact CD1-CE2 3.67Å; I20-F207 HydrophobicContact CG1-CD2 4.31Å; I20-F207 HydrophobicContact CG1-CE2 3.89Å; I20-F207 HydrophobicContact CG2-CD2 4.29Å; I20-F207 HydrophobicContact CG2-CE2 3.36Å; I20-F207 HydrophobicContact CG2-CZ 3.63Å; I20-I210 HydrophobicContact CD1-CB 4.39Å; I20-I210 HydrophobicContact CD1-CD1 4.29Å; I20-I210 HydrophobicContact CD1-CG2 3.94Å; I20-L211 HydrophobicContact CG2-CD2 3.76Å; I20-L211 HydrophobicContact CG2-CG 4.37Å; I20-Q214 PolarHBondContact O-NE2 3.48Å |
| 21 | K | 97.7 | Very high | 97.8 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.6 | 174.4 | -79 | 175.8 | 178.5 | -175.7 | 0 | 113.7 | A17 I19 M25 N67 L68 | A17-K21 VanDerWaalsContact O-CB 3.29Å; A17-K21 WeakPolarHBondContact O-CB 3.33Å; A17-K21 WeakPolarHBondContact O-CG 3.45Å; A17-K21 PolarHBondContact O-N 2.79Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.36Å; K21-M25 HydrophobicContact CG-CE 4.46Å; K21-M25 HydrophobicContact CG-CG 4.4Å; K21-M25 HydrophobicContact CG-SD 4.37Å; K21-N67 PolarHBondContact NZ-O 3.22Å; K21-L68 WeakPolarHBondContact CE-O 3.47Å |
| 22 | A | 97.6 | Very high | 97.8 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 78% | 0.777 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I19 I20 | I19-A22 VanDerWaalsContact O-CB 3.29Å; I19-A22 WeakPolarHBondContact O-CB 3.49Å; I19-A22 PolarHBondContact O-N 3.04Å; I19-A22 VanDerWaalsContact O-N 3.13Å; I20-A22 PolarHBondContact O-N 3.38Å |
| 23 | G | 96.9 | Very high | 97.8 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -98 | -174.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I20 M25 | I20-G23 PolarHBondContact O-N 2.76Å; G23-M25 PolarHBondContact O-N 3.2Å |
| 24 | P | 97.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | trans | -64.8 | 128.4 | 174.4 | 26.9 | -31.7 | 0 | 0 | 0 | 109.9 | F213 Q214 H217 | P24-F213 HydrophobicContact CB-CE1 4.34Å; P24-Q214 HydrophobicContact CG-CG 4.25Å; P24-Q214 WeakPolarHBondContact O-CG 3.04Å; P24-Q214 PolarHBondContact O-NE2 3.47Å; P24-H217 HydrophobicContact CG-CB 3.86Å | ||
| 25 | M | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | trans | -105.1 | 141.3 | 177.1 | -73.1 | -64.6 | -66.6 | 0 | 0 | 110.6 | I20 K21 G23 L68 I70 I210 | I20-M25 HydrophobicContact CD1-CE 4.48Å; I20-M25 HydrophobicContact CD1-SD 4.4Å; I20-M25 HydrophobicContact CG1-SD 4.41Å; K21-M25 HydrophobicContact CG-CE 4.46Å; K21-M25 HydrophobicContact CG-CG 4.4Å; K21-M25 HydrophobicContact CG-SD 4.37Å; G23-M25 PolarHBondContact O-N 3.2Å; M25-L68 HydrophobicContact CE-CB 4.36Å; M25-I70 HydrophobicContact CE-CD1 4.24Å; M25-I70 HydrophobicContact CE-CG1 4.27Å; M25-I210 HydrophobicContact CE-CD1 4.36Å; M25-I210 HydrophobicContact CE-CG2 4.25Å; M25-I210 HydrophobicContact SD-CG2 3.98Å | ||
| 26 | P | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | trans | -66.3 | 139.6 | 172.8 | 30.9 | -36.6 | 0 | 0 | 0 | 109.8 | I29 I70 D167 I168 I210 F213 | P26-I29 HydrophobicContact CB-CD1 4.42Å; P26-I29 HydrophobicContact CB-CG1 4.06Å; P26-I29 HydrophobicContact CG-CD1 3.87Å; P26-I29 HydrophobicContact CG-CG1 4.06Å; P26-I70 HydrophobicContact CG-CD1 4.03Å; P26-I70 HydrophobicContact CG-CG1 4.38Å; P26-D167 HydrophobicContact CB-CB 3.63Å; P26-I168 HydrophobicContact CB-CD1 3.86Å; P26-I168 HydrophobicContact CB-CG1 3.92Å; P26-I168 HydrophobicContact CG-CD1 3.75Å; P26-I168 HydrophobicContact CG-CG1 4.37Å; P26-I210 HydrophobicContact CG-CG1 4.2Å; P26-F213 HydrophobicContact CB-CD1 4.37Å; P26-F213 HydrophobicContact CB-CE1 4.29Å; P26-F213 HydrophobicContact CB-CZ 4.47Å | ||
| 27 | K | 95.7 | Very high | 97.5 | Very high | 160 Ų | 160 | 42.6 Ų | 42.6 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -90.2 | -32.6 | 175.2 | -63.3 | -179.3 | -179.7 | -179.7 | 0 | 111.3 | E72 D167 | K27-E72 PolarHBondContact O-N 3.43Å; K27-D167 PolarHBondContact N-OD2 2.94Å |
| 28 | H | 97.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.7 | -179.2 | -179.7 | -171 | 0 | 0 | 0 | 111.2 | E72 T74 P164 D167 | H28-E72 WeakPolarHBondContact CA-O 3.33Å; H28-E72 HydrophobicContact CB-CB 4.04Å; H28-E72 HydrophobicContact CB-CG 4.35Å; H28-E72 PolarHBondContact CD2-O 2.61Å; H28-E72 IonicContact CG-OE2 3.61Å; H28-E72 IonicContact ND1-OE2 2.65Å; H28-T74 PolarHBondContact CE1-OG1 3.39Å; H28-T74 VanDerWaalsContact CE1-OG1 3.27Å; H28-T74 WeakPolarHBondContact NE2-CB 3.37Å; H28-T74 PolarHBondContact NE2-OG1 3.12Å; H28-P164 PolarHBondContact CE1-O 2.8Å; H28-P164 PolarHBondContact ND1-O 2.81Å; H28-D167 PolarHBondContact N-OD2 2.75Å; H28-D167 PolarHBondContact O-N 3.49Å |
| 29 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134 | 173 | -60.1 | -177.1 | 0 | 0 | 0 | 110.8 | P26 F31 I70 E72 V73 T74 I168 I170 L206 I210 | P26-I29 HydrophobicContact CB-CD1 4.42Å; P26-I29 HydrophobicContact CB-CG1 4.06Å; P26-I29 HydrophobicContact CG-CD1 3.87Å; P26-I29 HydrophobicContact CG-CG1 4.06Å; I29-F31 HydrophobicContact CB-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.29Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; I29-I70 HydrophobicContact CD1-CD1 3.73Å; I29-I70 HydrophobicContact CD1-CG2 4.24Å; I29-I70 HydrophobicContact CG1-CG2 4.09Å; I29-E72 PolarHBondContact N-O 3.48Å; I29-E72 VanDerWaalsContact N-O 3.08Å; I29-V73 CarbonylContact O-C 3.51Å; I29-V73 VanDerWaalsContact O-CA 3.24Å; I29-V73 WeakPolarHBondContact O-CA 3.44Å; I29-T74 PolarHBondContact O-N 3.32Å; I29-I168 HydrophobicContact CD1-CD1 4.08Å; I29-I168 HydrophobicContact CG1-CB 4.25Å; I29-I168 HydrophobicContact CG1-CD1 4.24Å; I29-I168 HydrophobicContact CG1-CG1 4.31Å; I29-I168 HydrophobicContact CG2-CB 4.3Å; I29-I170 HydrophobicContact CG2-CD1 3.72Å; I29-I170 HydrophobicContact CG2-CG1 4.19Å; I29-L206 HydrophobicContact CD1-CD1 3.92Å; I29-I210 HydrophobicContact CD1-CG1 4.4Å |
| 30 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | T74 P166 I168 L169 I170 F181 L182 | A30-T74 CarbonylContact C-O 3.49Å; A30-T74 WeakPolarHBondContact CA-O 3.03Å; A30-P166 HydrophobicContact CB-CB 3.9Å; A30-P166 HydrophobicContact CB-CG 3.8Å; A30-I168 PolarHBondContact N-O 3.35Å; A30-L169 HydrophobicContact CB-CD1 3.64Å; A30-L169 WeakPolarHBondContact O-CA 3.43Å; A30-I170 PolarHBondContact O-N 2.79Å; A30-F181 HydrophobicContact CB-CE1 4.17Å; A30-L182 HydrophobicContact CB-CD1 3.77Å |
| 31 | F | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.3 | 179.3 | -65.1 | -93.5 | 0 | 0 | 0 | 113 | I29 M33 T61 V73 T74 V75 Y76 I170 W198 Y201 L206 | I29-F31 HydrophobicContact CB-CE2 4.08Å; I29-F31 HydrophobicContact CG2-CD2 3.96Å; I29-F31 HydrophobicContact CG2-CE1 4.29Å; I29-F31 HydrophobicContact CG2-CE2 3.38Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; F31-M33 HydrophobicContact CB-CG 4.12Å; F31-T61 HydrophobicContact CE1-CG2 4.1Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; F31-T74 PolarHBondContact N-O 2.97Å; F31-V75 HydrophobicContact CB-CG1 4.14Å; F31-V75 HydrophobicContact CD2-CG1 4.24Å; F31-V75 WeakPolarHBondContact O-CA 3.32Å; F31-Y76 PolarHBondContact O-N 3.23Å; F31-I170 CarbonylContact C-O 3.58Å; F31-I170 WeakPolarHBondContact CA-O 3.49Å; F31-I170 HydrophobicContact CD1-CB 3.83Å; F31-I170 HydrophobicContact CD1-CD1 4.16Å; F31-I170 HydrophobicContact CD1-CG2 4.09Å; F31-I170 HydrophobicContact CE1-CB 4.08Å; F31-I170 HydrophobicContact CE1-CD1 3.51Å; F31-I170 HydrophobicContact CE1-CG1 4.31Å; F31-I170 HydrophobicContact CE1-CG2 4.26Å; F31-I170 HydrophobicContact CZ-CD1 3.91Å; F31-W198 HydrophobicContact CB-CZ3 4.41Å; F31-W198 HydrophobicContact CD1-CH2 4.18Å; F31-W198 AromaticContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CE1-CZ3 4.33Å; F31-W198 HydrophobicContact CG-CH2 4.37Å; F31-W198 HydrophobicContact CG-CZ3 4.28Å; F31-Y201 HydrophobicContact CE1-CE1 4.04Å; F31-L206 HydrophobicContact CZ-CD1 3.97Å |
| 32 | I | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 100.1 | 160.8 | -58.4 | 173.8 | 0 | 0 | 0 | 107.5 | D34 L169 I170 R171 T172 L178 F181 | I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.38Å; I32-D34 PolarHBondContact O-N 3Å; I32-L169 HydrophobicContact CD1-CD1 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.48Å; I32-L169 HydrophobicContact CG1-CD1 4.22Å; I32-I170 PolarHBondContact N-O 3.49Å; I32-R171 HydrophobicContact CB-CB 3.98Å; I32-R171 HydrophobicContact CB-CG 3.94Å; I32-R171 HydrophobicContact CD1-CB 4.26Å; I32-R171 HydrophobicContact CD1-CG 4.45Å; I32-R171 HydrophobicContact CG2-CG 4.03Å; I32-T172 PolarHBondContact O-N 3.46Å; I32-T172 PolarHBondContact O-OG1 3.37Å; I32-L178 VanDerWaalsContact CD1-O 3.29Å; I32-L178 WeakPolarHBondContact CD1-O 3.45Å; I32-F181 HydrophobicContact CD1-CB 4.06Å; I32-F181 HydrophobicContact CD1-CD1 3.9Å; I32-F181 HydrophobicContact CD1-CG 4.4Å; I32-F181 HydrophobicContact CG1-CB 4.26Å; I32-F181 HydrophobicContact CG1-CD1 3.41Å; I32-F181 VanDerWaalsContact CG1-CD1 3.41Å; I32-F181 HydrophobicContact CG1-CE1 3.99Å; I32-F181 HydrophobicContact CG1-CG 4.1Å |
| 33 | M | 97.3 | Very high | 97.6 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | trans | -80.5 | 61 | -172.1 | -59.7 | -175.6 | -61.2 | 0 | 0 | 112.6 | F31 N36 L58 V75 A77 W198 | F31-M33 HydrophobicContact CB-CG 4.12Å; M33-N36 PolarHBondContact O-ND2 3.24Å; M33-L58 HydrophobicContact CE-CD2 4.49Å; M33-L58 HydrophobicContact SD-CB 4.16Å; M33-L58 HydrophobicContact SD-CD1 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.42Å; M33-V75 HydrophobicContact CE-CB 3.76Å; M33-V75 HydrophobicContact CE-CG2 3.85Å; M33-V75 HydrophobicContact CG-CB 4.47Å; M33-V75 HydrophobicContact SD-CB 3.89Å; M33-V75 HydrophobicContact SD-CG1 4.16Å; M33-V75 HydrophobicContact SD-CG2 4.35Å; M33-A77 HydrophobicContact CE-CB 4.21Å; M33-W198 HydrophobicContact CB-CB 4.42Å; M33-W198 HydrophobicContact CB-CD2 3.56Å; M33-W198 HydrophobicContact CB-CE3 4.08Å; M33-W198 HydrophobicContact CB-CG 3.69Å; M33-W198 HydrophobicContact CB-CZ2 4.27Å; M33-W198 HydrophobicContact CG-CD2 3.66Å; M33-W198 VanDerWaalsContact CG-CE2 3.44Å; M33-W198 HydrophobicContact CG-CE3 3.9Å; M33-W198 HydrophobicContact CG-CG 4.31Å; M33-W198 HydrophobicContact CG-CH2 3.78Å; M33-W198 HydrophobicContact CG-CZ2 3.51Å; M33-W198 HydrophobicContact CG-CZ3 3.97Å; M33-W198 HydrophobicContact SD-CD2 4.33Å; M33-W198 HydrophobicContact SD-CH2 3.96Å; M33-W198 HydrophobicContact SD-CZ2 3.26Å; M33-W198 WeakPolarHBondContact SD-CZ2 3.36Å | ||
| 34 | D | 96.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -87.7 | 153.6 | -174.8 | -163.8 | -5.2 | 0 | 0 | 0 | 112.3 | I32 R38 R171 T172 S173 W198 | I32-D34 VanDerWaalsContact C-N 3.25Å; I32-D34 HydrophobicContact CG2-CB 4.38Å; I32-D34 PolarHBondContact O-N 3Å; D34-R38 VanDerWaalsContact CG-NH2 3.3Å; D34-R38 IonicContact OD1-NH2 2.96Å; D34-R38 PolarHBondContact OD1-NH2 3.17Å; D34-R38 IonicContact OD2-NH2 2.8Å; D34-R38 PolarHBondContact OD2-NH2 3.47Å; D34-R171 IonicContact OD2-CZ 3.47Å; D34-R171 IonicContact OD2-NE 3.93Å; D34-R171 IonicContact OD2-NH2 3.94Å; D34-R171 PolarHBondContact OD2-NH2 2.94Å; D34-T172 PolarHBondContact N-OG1 2.87Å; D34-T172 PolarHBondContact O-OG1 3.12Å; D34-S173 WeakPolarHBondContact CB-OG 3.32Å; D34-S173 PolarHBondContact OD2-OG 3.08Å; D34-W198 WeakPolarHBondContact O-CB 3.37Å; D34-W198 PolarHBondContact O-N 3.4Å | ||
| 35 | G | 96.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | 110.4 | -3.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | R37 R38 Y39 | G35-R37 VanDerWaalsContact C-N 3.35Å; G35-R37 PolarHBondContact O-N 2.94Å; G35-R38 WeakPolarHBondContact O-CB 3.45Å; G35-R38 PolarHBondContact O-N 3.1Å; G35-Y39 WeakPolarHBondContact O-CB 3.5Å; G35-Y39 PolarHBondContact O-N 3.44Å | ||
| 36 | N | 97.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.7 | -45 | -175.9 | -60.6 | -42.9 | 0 | 0 | 0 | 113.8 | M33 Y39 A40 P199 | M33-N36 PolarHBondContact O-ND2 3.24Å; N36-Y39 WeakPolarHBondContact O-CB 3.36Å; N36-Y39 PolarHBondContact O-N 2.9Å; N36-A40 PolarHBondContact O-N 2.65Å; N36-P199 WeakPolarHBondContact OD1-CD 3.23Å; N36-P199 VanDerWaalsContact OD1-CG 3.27Å; N36-P199 WeakPolarHBondContact OD1-CG 3.36Å |
| 37 | R | 96.1 | Very high | 97.1 | Very high | 109 Ų | 109 | 67.3 Ų | 67.3 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 178.7 | -61.4 | -175.1 | -62.8 | -177.9 | 3.3 | 113 | G35 Y39 A40 K41 E89 | G35-R37 VanDerWaalsContact C-N 3.35Å; G35-R37 PolarHBondContact O-N 2.94Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; R37-A40 PolarHBondContact O-N 3.24Å; R37-K41 PolarHBondContact O-N 3.32Å; R37-K41 VanDerWaalsContact O-N 3.09Å; R37-E89 WeakPolarHBondContact CD-OE1 3.49Å; R37-E89 IonicContact CZ-OE1 3.6Å; R37-E89 IonicContact NE-OE1 3.97Å; R37-E89 IonicContact NH1-OE1 3.58Å; R37-E89 PolarHBondContact NH1-OE1 3.2Å; R37-E89 IonicContact NH1-OE2 2.76Å |
| 38 | R | 97.8 | Very high | 97 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 176.3 | -77.8 | 174 | -83.6 | -169.7 | -8.4 | 110.2 | D34 G35 K41 K42 S173 E175 L197 | D34-R38 VanDerWaalsContact CG-NH2 3.3Å; D34-R38 IonicContact OD1-NH2 2.96Å; D34-R38 PolarHBondContact OD1-NH2 3.17Å; D34-R38 IonicContact OD2-NH2 2.8Å; D34-R38 PolarHBondContact OD2-NH2 3.47Å; G35-R38 WeakPolarHBondContact O-CB 3.45Å; G35-R38 PolarHBondContact O-N 3.1Å; R38-K41 PolarHBondContact O-N 3.49Å; R38-K42 WeakPolarHBondContact O-CB 3.26Å; R38-K42 PolarHBondContact O-N 3.16Å; R38-S173 VanDerWaalsContact CZ-CB 3.49Å; R38-S173 PolarHBondContact NH1-O 2.87Å; R38-S173 PolarHBondContact NH2-OG 3.45Å; R38-E175 IonicContact CZ-OE1 3.76Å; R38-E175 IonicContact NH1-OE1 3.96Å; R38-E175 PolarHBondContact NH1-OE1 2.98Å; R38-E175 IonicContact NH2-OE1 3.53Å; R38-L197 HydrophobicContact CB-CD1 4.12Å; R38-L197 HydrophobicContact CB-CD2 3.95Å |
| 39 | Y | 98.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 173.7 | 171.3 | -96.2 | 0 | 0 | 0 | 111.4 | G35 N36 R37 K41 K42 C43 Q53 P199 E200 | G35-Y39 WeakPolarHBondContact O-CB 3.5Å; G35-Y39 PolarHBondContact O-N 3.44Å; N36-Y39 WeakPolarHBondContact O-CB 3.36Å; N36-Y39 PolarHBondContact O-N 2.9Å; R37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-K41 VanDerWaalsContact C-N 3.29Å; Y39-K41 PolarHBondContact O-N 3.28Å; Y39-K42 WeakPolarHBondContact O-CB 3.29Å; Y39-K42 PolarHBondContact O-N 3.41Å; Y39-C43 WeakPolarHBondContact CE2-SG 3.43Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.16Å; Y39-Q53 HydrophobicContact CE1-CB 4.04Å; Y39-Q53 HydrophobicContact CE1-CG 4.15Å; Y39-P199 HydrophobicContact CD1-CB 3.59Å; Y39-P199 HydrophobicContact CD1-CG 3.62Å; Y39-P199 HydrophobicContact CD2-CB 3.88Å; Y39-P199 HydrophobicContact CD2-CG 4.34Å; Y39-P199 HydrophobicContact CE1-CB 3.75Å; Y39-P199 HydrophobicContact CE1-CG 4.25Å; Y39-P199 HydrophobicContact CE2-CB 4.02Å; Y39-P199 HydrophobicContact CG-CB 3.65Å; Y39-P199 HydrophobicContact CG-CG 3.66Å; Y39-E200 HydrophobicContact CD2-CG 3.49Å; Y39-E200 VanDerWaalsContact CD2-CG 3.49Å; Y39-E200 HydrophobicContact CE2-CG 3.61Å |
| 40 | A | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.4 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N36 R37 C43 Q44 V45 | N36-A40 PolarHBondContact O-N 2.65Å; R37-A40 PolarHBondContact O-N 3.24Å; A40-C43 PolarHBondContact O-N 3.24Å; A40-Q44 PolarHBondContact O-N 3.02Å; A40-V45 CarbonylContact C-O 3.59Å; A40-V45 HydrophobicContact CB-CG2 4.04Å; A40-V45 PolarHBondContact O-N 3.45Å |
| 41 | K | 97.7 | Very high | 96.5 | Very high | 176 Ų | 176 | 67.4 Ų | 67.4 | 77% | 0.765 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 175.2 | -173.6 | 179.6 | 178.8 | -177.4 | 0 | 112.4 | R37 R38 Y39 C43 Q44 | R37-K41 PolarHBondContact O-N 3.32Å; R37-K41 VanDerWaalsContact O-N 3.09Å; R38-K41 PolarHBondContact O-N 3.49Å; Y39-K41 VanDerWaalsContact C-N 3.29Å; Y39-K41 PolarHBondContact O-N 3.28Å; K41-C43 VanDerWaalsContact C-N 3.33Å; K41-C43 PolarHBondContact O-N 2.77Å; K41-Q44 PolarHBondContact O-N 2.89Å |
| 42 | K | 97.8 | Very high | 96.3 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | 178.8 | -177.5 | -172.7 | -179.9 | -170.8 | 0 | 111.7 | R38 Y39 Q44 L197 E200 | R38-K42 WeakPolarHBondContact O-CB 3.26Å; R38-K42 PolarHBondContact O-N 3.16Å; Y39-K42 WeakPolarHBondContact O-CB 3.29Å; Y39-K42 PolarHBondContact O-N 3.41Å; K42-Q44 VanDerWaalsContact C-N 3.32Å; K42-L197 HydrophobicContact CD-CD1 4.31Å; K42-E200 IonicContact NZ-OE1 2.66Å; K42-E200 PolarHBondContact NZ-OE1 3.42Å; K42-E200 IonicContact NZ-OE2 3.04Å; K42-E200 PolarHBondContact NZ-OE2 3.28Å |
| 43 | C | 97.3 | Very high | 96.2 | Very high | 55 Ų | 55 | 71 Ų | 71 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 1.8 | -179.6 | -64.6 | 0 | 0 | 0 | 0 | 113.8 | Y39 A40 K41 V45 | Y39-C43 WeakPolarHBondContact CE2-SG 3.43Å; Y39-C43 VanDerWaalsContact CZ-SG 3.58Å; Y39-C43 PolarHBondContact O-N 3.16Å; A40-C43 PolarHBondContact O-N 3.24Å; K41-C43 VanDerWaalsContact C-N 3.33Å; K41-C43 PolarHBondContact O-N 2.77Å; C43-V45 HydrophobicContact CB-CG1 4.32Å; C43-V45 HydrophobicContact CB-CG2 4.19Å; C43-V45 PolarHBondContact O-N 3.23Å |
| 44 | Q | 97.6 | Very high | 96.2 | Very high | 185 Ų | 185 | 70 Ų | 70 | 86% | 0.864 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 35.8 | -176.8 | -57 | 178.5 | -14.8 | 0 | 0 | 113.4 | A40 K41 K42 | A40-Q44 PolarHBondContact O-N 3.02Å; K41-Q44 PolarHBondContact O-N 2.89Å; K42-Q44 VanDerWaalsContact C-N 3.32Å |
| 45 | V | 96.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 69 Ų | 69 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | trans | -109.4 | 165.5 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | A40 C43 E49 | A40-V45 CarbonylContact C-O 3.59Å; A40-V45 HydrophobicContact CB-CG2 4.04Å; A40-V45 PolarHBondContact O-N 3.45Å; C43-V45 HydrophobicContact CB-CG1 4.32Å; C43-V45 HydrophobicContact CB-CG2 4.19Å; C43-V45 PolarHBondContact O-N 3.23Å; V45-E49 HydrophobicContact CB-CB 4.24Å; V45-E49 HydrophobicContact CB-CG 4.18Å; V45-E49 HydrophobicContact CG2-CB 4.17Å; V45-E49 HydrophobicContact CG2-CG 4.12Å | ||
| 46 | E | 94.6 | Very high | 96 | Very high | 154 Ų | 154 | 69.8 Ų | 69.8 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | trans | -64.3 | 153.4 | 175.7 | -63.8 | -167.4 | 164.2 | 0 | 0 | 112.3 | Q48 E49 G50 | E46-Q48 PolarHBondContact O-N 3.15Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.43Å; E46-E49 VanDerWaalsContact O-N 3.1Å; E46-G50 PolarHBondContact O-N 2.79Å; E46-G50 VanDerWaalsContact O-N 3.16Å | ||
| 47 | R | 93.2 | Very high | 96 | Very high | 141 Ų | 141 | 70 Ų | 70 | 53% | 0.532 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58 | -39 | 179.3 | -68.9 | -174.4 | -173.7 | 164.9 | 10.4 | 112.3 | E49 G50 H51 E89 | R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.76Å; R47-G50 PolarHBondContact O-N 3.33Å; R47-G50 VanDerWaalsContact O-N 3.16Å; R47-H51 PolarHBondContact O-CD2 2.68Å; R47-H51 VanDerWaalsContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.03Å; R47-H51 VanDerWaalsContact O-N 3.1Å; R47-E89 IonicContact CZ-OE2 2.69Å; R47-E89 IonicContact NH1-OE2 3.39Å; R47-E89 PolarHBondContact NH1-OE2 3.32Å |
| 48 | Q | 92 | Very high | 96 | Very high | 67 Ų | 67 | 65.5 Ų | 65.5 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 179 | -172 | 63.2 | 12 | 0 | 0 | 111.2 | E46 G50 H51 S52 G92 | E46-Q48 PolarHBondContact O-N 3.15Å; Q48-G50 PolarHBondContact O-N 2.74Å; Q48-H51 PolarHBondContact O-N 2.95Å; Q48-S52 PolarHBondContact O-N 3.16Å; Q48-G92 PolarHBondContact NE2-O 3.06Å; Q48-G92 PolarHBondContact OE1-O 3.23Å |
| 49 | E | 93.9 | Very high | 95.7 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 175.6 | -177.2 | 53.7 | -152.6 | 0 | 0 | 111.4 | V45 E46 R47 H51 S52 Q53 | V45-E49 HydrophobicContact CB-CB 4.24Å; V45-E49 HydrophobicContact CB-CG 4.18Å; V45-E49 HydrophobicContact CG2-CB 4.17Å; V45-E49 HydrophobicContact CG2-CG 4.12Å; E46-E49 WeakPolarHBondContact O-CB 3.22Å; E46-E49 PolarHBondContact O-N 3.43Å; E46-E49 VanDerWaalsContact O-N 3.1Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 2.76Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 2.76Å; E49-S52 WeakPolarHBondContact O-CB 3.1Å; E49-S52 PolarHBondContact O-N 2.83Å; E49-S52 VanDerWaalsContact O-N 3.17Å; E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.34Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.44Å; E49-Q53 PolarHBondContact OE1-NE2 3Å |
| 50 | G | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E46 R47 Q48 G54 | E46-G50 PolarHBondContact O-N 2.79Å; E46-G50 VanDerWaalsContact O-N 3.16Å; R47-G50 PolarHBondContact O-N 3.33Å; R47-G50 VanDerWaalsContact O-N 3.16Å; Q48-G50 PolarHBondContact O-N 2.74Å; G50-G54 PolarHBondContact O-N 2.92Å |
| 51 | H | 94.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 174.6 | -74.7 | -66.6 | 0 | 0 | 0 | 112.7 | R47 Q48 E49 Q53 G54 F55 L93 L96 | R47-H51 PolarHBondContact O-CD2 2.68Å; R47-H51 VanDerWaalsContact O-CD2 3.24Å; R47-H51 PolarHBondContact O-N 3.03Å; R47-H51 VanDerWaalsContact O-N 3.1Å; Q48-H51 PolarHBondContact O-N 2.95Å; E49-H51 VanDerWaalsContact C-N 3.29Å; E49-H51 PolarHBondContact O-N 2.76Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.79Å; H51-G54 WeakPolarHBondContact O-CA 3.11Å; H51-G54 PolarHBondContact O-N 3.42Å; H51-G54 VanDerWaalsContact O-N 3.17Å; H51-F55 PolarHBondContact O-N 3Å; H51-L93 HydrophobicContact CB-CD2 4.14Å; H51-L96 HydrophobicContact CB-CD2 3.94Å |
| 52 | S | 94.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | Q48 E49 G54 F55 N56 | Q48-S52 PolarHBondContact O-N 3.16Å; E49-S52 WeakPolarHBondContact O-CB 3.1Å; E49-S52 PolarHBondContact O-N 2.83Å; E49-S52 VanDerWaalsContact O-N 3.17Å; S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.01Å; S52-F55 WeakPolarHBondContact O-CB 3.11Å; S52-F55 PolarHBondContact O-N 2.89Å; S52-N56 PolarHBondContact O-N 2.85Å |
| 53 | Q | 96.6 | Very high | 95.1 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.4 | -35.9 | 174.9 | -65.6 | -61.4 | -4.9 | 0 | 0 | 112.6 | Y39 E49 H51 F55 N56 K57 P199 | Y39-Q53 HydrophobicContact CE1-CB 4.04Å; Y39-Q53 HydrophobicContact CE1-CG 4.15Å; E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.34Å; E49-Q53 WeakPolarHBondContact OE1-CG 3.44Å; E49-Q53 PolarHBondContact OE1-NE2 3Å; H51-Q53 VanDerWaalsContact C-N 3.34Å; H51-Q53 PolarHBondContact O-N 2.79Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; Q53-F55 PolarHBondContact O-N 3.02Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3.23Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.27Å; Q53-K57 PolarHBondContact O-N 3.33Å; Q53-P199 HydrophobicContact CB-CB 4.09Å |
| 54 | G | 96.5 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | G50 H51 S52 K57 L58 W198 | G50-G54 PolarHBondContact O-N 2.92Å; H51-G54 WeakPolarHBondContact O-CA 3.11Å; H51-G54 PolarHBondContact O-N 3.42Å; H51-G54 VanDerWaalsContact O-N 3.17Å; S52-G54 VanDerWaalsContact C-N 3.34Å; S52-G54 PolarHBondContact O-N 3.01Å; G54-K57 PolarHBondContact O-N 2.93Å; G54-L58 PolarHBondContact O-N 3.14Å; G54-W198 VanDerWaalsContact CA-CD1 3.46Å; G54-W198 PolarHBondContact O-NE1 2.66Å |
| 55 | F | 94.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 10% | 0.101 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | 173.4 | -179.6 | -87.9 | 0 | 0 | 0 | 112.3 | W3 H51 S52 Q53 K57 L58 A59 K100 | W3-F55 AromaticContact CD1-CZ 3.9Å; W3-F55 HydrophobicContact CD2-CE2 4.09Å; W3-F55 AromaticContact CD2-CZ 3.77Å; W3-F55 HydrophobicContact CD2-CZ 3.77Å; W3-F55 AromaticContact CE2-CE2 3.78Å; W3-F55 AromaticContact CE2-CZ 3.65Å; W3-F55 HydrophobicContact CE3-CE2 4.41Å; W3-F55 HydrophobicContact CE3-CZ 4.41Å; W3-F55 AromaticContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CG-CZ 3.94Å; W3-F55 HydrophobicContact CH2-CE2 4.19Å; W3-F55 AromaticContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CE2 3.84Å; W3-F55 HydrophobicContact CZ2-CZ 4.2Å; W3-F55 HydrophobicContact CZ3-CE2 4.46Å; W3-F55 AromaticContact NE1-CZ 3.7Å; H51-F55 PolarHBondContact O-N 3Å; S52-F55 WeakPolarHBondContact O-CB 3.11Å; S52-F55 PolarHBondContact O-N 2.89Å; Q53-F55 VanDerWaalsContact C-N 3.31Å; Q53-F55 PolarHBondContact O-N 3.02Å; F55-K57 PolarHBondContact O-N 3.22Å; F55-L58 HydrophobicContact CD2-CD2 4.45Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.41Å; F55-L58 VanDerWaalsContact O-N 3.11Å; F55-A59 PolarHBondContact O-N 2.73Å; F55-A59 VanDerWaalsContact O-N 3.17Å; F55-K100 HydrophobicContact CD1-CD 3.69Å; F55-K100 HydrophobicContact CD1-CG 4.17Å; F55-K100 HydrophobicContact CD2-CB 4.45Å; F55-K100 HydrophobicContact CD2-CD 4.21Å; F55-K100 HydrophobicContact CD2-CG 3.74Å; F55-K100 HydrophobicContact CE1-CD 3.52Å; F55-K100 HydrophobicContact CE1-CG 4.04Å; F55-K100 HydrophobicContact CE2-CB 3.87Å; F55-K100 HydrophobicContact CE2-CD 4.05Å; F55-K100 HydrophobicContact CE2-CG 3.59Å; F55-K100 HydrophobicContact CG-CD 4.03Å; F55-K100 HydrophobicContact CG-CG 4.02Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.71Å; F55-K100 HydrophobicContact CZ-CG 3.74Å |
| 56 | N | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | 176.7 | -67.7 | -22.7 | 0 | 0 | 0 | 112.1 | M1 K5 S52 Q53 E60 | M1-N56 WeakPolarHBondContact CB-OD1 3.45Å; M1-N56 VanDerWaalsContact CG-OD1 3.26Å; M1-N56 WeakPolarHBondContact CG-OD1 3.41Å; K5-N56 PolarHBondContact NZ-O 3.28Å; S52-N56 PolarHBondContact O-N 2.85Å; Q53-N56 WeakPolarHBondContact O-CB 3.22Å; Q53-N56 PolarHBondContact O-N 3.23Å; Q53-N56 VanDerWaalsContact O-N 3.14Å; Q53-N56 PolarHBondContact OE1-ND2 3.27Å; N56-E60 PolarHBondContact O-N 2.77Å |
| 57 | K | 97.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.5 | -35.4 | 175.9 | -172.4 | 59.6 | 60.6 | 178.9 | 0 | 112.9 | Q53 G54 F55 E60 T61 W64 W198 P199 Y201 | Q53-K57 PolarHBondContact O-N 3.33Å; G54-K57 PolarHBondContact O-N 2.93Å; F55-K57 PolarHBondContact O-N 3.22Å; K57-E60 WeakPolarHBondContact CE-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 3.15Å; K57-E60 PolarHBondContact NZ-OE2 2.93Å; K57-E60 PolarHBondContact O-N 3.49Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 3.17Å; K57-T61 PolarHBondContact O-OG1 3.35Å; K57-W64 HydrophobicContact CD-CH2 4.29Å; K57-W64 HydrophobicContact CD-CZ3 4.32Å; K57-W198 HydrophobicContact CB-CZ2 4.39Å; K57-W198 HydrophobicContact CG-CD2 4.46Å; K57-W198 HydrophobicContact CG-CZ2 4.16Å; K57-W198 WeakPolarHBondContact CG-O 3.37Å; K57-P199 WeakPolarHBondContact CE-O 3.35Å; K57-Y201 VanDerWaalsContact CD-O 3.22Å; K57-Y201 WeakPolarHBondContact CD-O 3.15Å; K57-Y201 WeakPolarHBondContact CE-O 3.48Å; K57-Y201 PolarHBondContact NZ-O 3.41Å |
| 58 | L | 96 | Very high | 94.9 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 7% | 0.073 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.2 | -54.7 | 171.7 | 172.7 | 60.4 | 0 | 0 | 0 | 111.1 | M33 G54 F55 E60 T61 L62 V75 W198 | M33-L58 HydrophobicContact CE-CD2 4.49Å; M33-L58 HydrophobicContact SD-CB 4.16Å; M33-L58 HydrophobicContact SD-CD1 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.4Å; M33-L58 HydrophobicContact SD-CG 4.42Å; G54-L58 PolarHBondContact O-N 3.14Å; F55-L58 HydrophobicContact CD2-CD2 4.45Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.41Å; F55-L58 VanDerWaalsContact O-N 3.11Å; L58-E60 PolarHBondContact O-N 3.48Å; L58-T61 PolarHBondContact O-N 3.09Å; L58-T61 VanDerWaalsContact O-N 3.08Å; L58-L62 HydrophobicContact CD1-CD1 4.12Å; L58-L62 HydrophobicContact CD1-CD2 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.01Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 2.86Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.57Å; L58-V75 HydrophobicContact CD1-CG2 4.11Å; L58-V75 HydrophobicContact CD2-CG2 4.14Å; L58-W198 HydrophobicContact CB-CZ2 4.13Å |
| 59 | A | 92.3 | Very high | 95 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -36.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K5 F55 R63 | K5-A59 HydrophobicContact CD-CB 4.21Å; K5-A59 HydrophobicContact CG-CB 4.14Å; F55-A59 PolarHBondContact O-N 2.73Å; F55-A59 VanDerWaalsContact O-N 3.17Å; A59-R63 PolarHBondContact O-N 3Å |
| 60 | E | 95.8 | Very high | 95 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 21% | 0.21 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -40.3 | 175.9 | -177.3 | 170.9 | -142.1 | 0 | 0 | 112.7 | K5 N56 K57 L58 R63 W64 | K5-E60 HydrophobicContact CD-CB 4.12Å; N56-E60 PolarHBondContact O-N 2.77Å; K57-E60 WeakPolarHBondContact CE-OE2 3.13Å; K57-E60 IonicContact NZ-OE2 3.15Å; K57-E60 PolarHBondContact NZ-OE2 2.93Å; K57-E60 PolarHBondContact O-N 3.49Å; L58-E60 PolarHBondContact O-N 3.48Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.83Å; E60-R63 IonicContact OE1-NH2 3.54Å; E60-R63 PolarHBondContact OE1-NH2 2.79Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.28Å; E60-W64 HydrophobicContact CG-CH2 3.72Å; E60-W64 HydrophobicContact CG-CZ2 3.44Å; E60-W64 VanDerWaalsContact CG-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CZ3 4.27Å; E60-W64 PolarHBondContact O-N 3.26Å; E60-W64 VanDerWaalsContact O-N 3.1Å |
| 61 | T | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.8 | -37.8 | 179.4 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | F31 K57 L58 R63 W64 C65 W198 | F31-T61 HydrophobicContact CE1-CG2 4.1Å; F31-T61 HydrophobicContact CE2-CG2 4.16Å; F31-T61 HydrophobicContact CZ-CG2 3.68Å; K57-T61 WeakPolarHBondContact O-CB 3.29Å; K57-T61 PolarHBondContact O-N 3.17Å; K57-T61 PolarHBondContact O-OG1 3.35Å; L58-T61 PolarHBondContact O-N 3.09Å; L58-T61 VanDerWaalsContact O-N 3.08Å; T61-R63 VanDerWaalsContact C-N 3.31Å; T61-R63 PolarHBondContact O-N 2.95Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 PolarHBondContact O-N 2.94Å; T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 2.86Å; T61-W198 HydrophobicContact CG2-CH2 4.32Å |
| 62 | L | 92.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 29% | 0.293 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 172.9 | -69.2 | 176.1 | 0 | 0 | 0 | 111.4 | L58 W64 C65 L66 V73 | L58-L62 HydrophobicContact CD1-CD1 4.12Å; L58-L62 HydrophobicContact CD1-CD2 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.01Å; L58-L62 HydrophobicContact CG-CD1 4.19Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CG 3.43Å; L58-L62 PolarHBondContact O-N 2.86Å; L62-W64 PolarHBondContact O-N 3.42Å; L62-C65 PolarHBondContact O-N 3.02Å; L62-L66 PolarHBondContact O-N 2.97Å; L62-V73 HydrophobicContact CD2-CB 3.62Å; L62-V73 HydrophobicContact CD2-CG1 3.74Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å |
| 63 | R | 93.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 173.5 | 178.8 | -172.5 | 65.3 | -178.9 | 0.6 | 111.8 | K5 E6 G7 A59 E60 T61 L66 N67 | K5-R63 WeakPolarHBondContact O-CB 3.45Å; K5-R63 WeakPolarHBondContact O-CD 3.48Å; K5-R63 VanDerWaalsContact O-CG 3.29Å; K5-R63 WeakPolarHBondContact O-CG 3.39Å; E6-R63 PolarHBondContact O-NH1 3.09Å; G7-R63 WeakPolarHBondContact O-CD 3.46Å; A59-R63 PolarHBondContact O-N 3Å; E60-R63 WeakPolarHBondContact O-CB 3.5Å; E60-R63 PolarHBondContact O-N 2.83Å; E60-R63 IonicContact OE1-NH2 3.54Å; E60-R63 PolarHBondContact OE1-NH2 2.79Å; T61-R63 VanDerWaalsContact C-N 3.31Å; T61-R63 PolarHBondContact O-N 2.95Å; R63-L66 PolarHBondContact O-N 2.81Å; R63-N67 PolarHBondContact O-N 3.07Å |
| 64 | W | 97.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.1 | -64.5 | -37.7 | 0 | 0 | 0 | 112.2 | K57 E60 T61 L62 L66 N67 L68 Y201 T202 F203 L206 | K57-W64 HydrophobicContact CD-CH2 4.29Å; K57-W64 HydrophobicContact CD-CZ3 4.32Å; E60-W64 VanDerWaalsContact CD-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CD2 4.28Å; E60-W64 HydrophobicContact CG-CH2 3.72Å; E60-W64 HydrophobicContact CG-CZ2 3.44Å; E60-W64 VanDerWaalsContact CG-CZ2 3.44Å; E60-W64 HydrophobicContact CG-CZ3 4.27Å; E60-W64 PolarHBondContact O-N 3.26Å; E60-W64 VanDerWaalsContact O-N 3.1Å; T61-W64 HydrophobicContact CG2-CE3 4.36Å; T61-W64 PolarHBondContact O-N 2.94Å; L62-W64 PolarHBondContact O-N 3.42Å; W64-L66 VanDerWaalsContact C-N 3.35Å; W64-L66 PolarHBondContact O-N 2.81Å; W64-N67 PolarHBondContact O-N 3.43Å; W64-L68 WeakPolarHBondContact O-CB 3.47Å; W64-L68 VanDerWaalsContact O-CG 3.25Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.44Å; W64-Y201 HydrophobicContact CZ3-CD1 4.34Å; W64-T202 VanDerWaalsContact CZ3-C 3.48Å; W64-F203 HydrophobicContact CB-CD2 4.26Å; W64-F203 AromaticContact CD1-CD2 3.98Å; W64-F203 HydrophobicContact CD2-CB 4.2Å; W64-F203 HydrophobicContact CD2-CD2 4.45Å; W64-F203 HydrophobicContact CG-CD2 4.01Å; W64-F203 HydrophobicContact CZ2-CB 4.26Å; W64-L206 HydrophobicContact CB-CD2 3.83Å |
| 65 | C | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | T61 L62 N67 L68 G69 I70 V73 | T61-C65 PolarHBondContact O-N 2.82Å; T61-C65 PolarHBondContact O-SG 2.86Å; L62-C65 PolarHBondContact O-N 3.02Å; C65-N67 PolarHBondContact O-N 3.13Å; C65-L68 CarbonylContact O-C 3.58Å; C65-L68 WeakPolarHBondContact O-CA 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.33Å; C65-L68 PolarHBondContact O-N 2.92Å; C65-L68 VanDerWaalsContact O-N 3.08Å; C65-G69 PolarHBondContact O-N 3.32Å; C65-G69 VanDerWaalsContact O-N 3.12Å; C65-I70 CarbonylContact C-O 3.56Å; C65-I70 HydrophobicContact CB-CB 4.05Å; C65-I70 HydrophobicContact CB-CG2 4.39Å; C65-I70 WeakPolarHBondContact O-CB 3.27Å; C65-I70 PolarHBondContact O-N 3.11Å; C65-V73 HydrophobicContact CB-CG2 3.86Å |
| 66 | L | 91.2 | Very high | 94.6 | Very high | 88 Ų | 88 | 36.5 Ų | 36.5 | 46% | 0.461 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.1 | -46 | 177.6 | -175 | 62.4 | 0 | 0 | 0 | 112.1 | L62 R63 W64 L68 G69 L71 | L62-L66 PolarHBondContact O-N 2.97Å; R63-L66 PolarHBondContact O-N 2.81Å; W64-L66 VanDerWaalsContact C-N 3.35Å; W64-L66 PolarHBondContact O-N 2.81Å; L66-L68 PolarHBondContact O-N 3.44Å; L66-G69 PolarHBondContact O-N 2.93Å; L66-L71 HydrophobicContact CD1-CD2 4.32Å |
| 67 | N | 94 | Very high | 94.3 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -28.2 | 176.2 | -72.4 | -15.2 | 0 | 0 | 0 | 112.9 | G7 L9 K21 R63 W64 C65 G69 | G7-N67 PolarHBondContact O-ND2 3.23Å; L9-N67 HydrophobicContact CD1-CB 4.02Å; L9-N67 HydrophobicContact CD2-CB 4.02Å; L9-N67 HydrophobicContact CG-CB 3.79Å; K21-N67 PolarHBondContact NZ-O 3.22Å; R63-N67 PolarHBondContact O-N 3.07Å; W64-N67 PolarHBondContact O-N 3.43Å; C65-N67 PolarHBondContact O-N 3.13Å; N67-G69 VanDerWaalsContact C-N 3.3Å |
| 68 | L | 96.1 | Very high | 94 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.2 | 174.2 | -68.4 | 171.4 | 0 | 0 | 0 | 113.2 | L9 A17 K21 M25 W64 C65 L66 I70 F203 L206 I210 | L9-L68 HydrophobicContact CD1-CD2 4.36Å; A17-L68 HydrophobicContact CB-CD2 3.51Å; K21-L68 WeakPolarHBondContact CE-O 3.47Å; M25-L68 HydrophobicContact CE-CB 4.36Å; W64-L68 WeakPolarHBondContact O-CB 3.47Å; W64-L68 VanDerWaalsContact O-CG 3.25Å; W64-L68 WeakPolarHBondContact O-CG 3.4Å; W64-L68 PolarHBondContact O-N 3.44Å; C65-L68 CarbonylContact O-C 3.58Å; C65-L68 WeakPolarHBondContact O-CA 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.33Å; C65-L68 PolarHBondContact O-N 2.92Å; C65-L68 VanDerWaalsContact O-N 3.08Å; L66-L68 PolarHBondContact O-N 3.44Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.89Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.21Å; L68-F203 HydrophobicContact CD1-CE2 4.03Å; L68-F203 HydrophobicContact CD2-CE2 4.12Å; L68-F203 HydrophobicContact CD2-CZ 4.25Å; L68-F203 HydrophobicContact CG-CE2 4.25Å; L68-L206 HydrophobicContact CD1-CD2 3.85Å; L68-L206 HydrophobicContact CD1-CG 4.3Å; L68-I210 HydrophobicContact CD1-CD1 3.7Å |
| 69 | G | 93.8 | Very high | 93.7 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 18.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C65 L66 N67 | C65-G69 PolarHBondContact O-N 3.32Å; C65-G69 VanDerWaalsContact O-N 3.12Å; L66-G69 PolarHBondContact O-N 2.93Å; N67-G69 VanDerWaalsContact C-N 3.3Å |
| 70 | I | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | trans | -91.7 | 106.7 | 176.7 | -55 | 168 | 0 | 0 | 0 | 106.8 | M25 P26 I29 C65 L68 I210 | M25-I70 HydrophobicContact CE-CD1 4.24Å; M25-I70 HydrophobicContact CE-CG1 4.27Å; P26-I70 HydrophobicContact CG-CD1 4.03Å; P26-I70 HydrophobicContact CG-CG1 4.38Å; I29-I70 HydrophobicContact CD1-CD1 3.73Å; I29-I70 HydrophobicContact CD1-CG2 4.24Å; I29-I70 HydrophobicContact CG1-CG2 4.09Å; C65-I70 CarbonylContact C-O 3.56Å; C65-I70 HydrophobicContact CB-CB 4.05Å; C65-I70 HydrophobicContact CB-CG2 4.39Å; C65-I70 WeakPolarHBondContact O-CB 3.27Å; C65-I70 PolarHBondContact O-N 3.11Å; L68-I70 VanDerWaalsContact C-N 3.33Å; L68-I70 HydrophobicContact CB-CD1 3.89Å; L68-I70 HydrophobicContact CB-CG1 4.05Å; L68-I70 HydrophobicContact CD1-CD1 4.21Å; I70-I210 HydrophobicContact CD1-CD1 3.83Å | ||
| 71 | L | 88.7 | Confident | 93.1 | Very high | 144 Ų | 144 | 47.8 Ų | 47.8 | 75% | 0.754 | 26% | 0.264 | S | S | * | . | trans | -91.6 | -13 | -165.1 | -55.6 | -177.3 | 0 | 0 | 0 | 113.6 | L66 | L66-L71 HydrophobicContact CD1-CD2 4.32Š| ||
| 72 | E | 93.4 | Very high | 92.8 | Very high | 31 Ų | 31 | 49 Ų | 49 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.6 | -179.6 | -166.9 | 167.1 | -153.2 | 0 | 0 | 112.6 | K27 H28 I29 R119 S163 P164 | K27-E72 PolarHBondContact O-N 3.43Å; H28-E72 WeakPolarHBondContact CA-O 3.33Å; H28-E72 HydrophobicContact CB-CB 4.04Å; H28-E72 HydrophobicContact CB-CG 4.35Å; H28-E72 PolarHBondContact CD2-O 2.61Å; H28-E72 IonicContact CG-OE2 3.61Å; H28-E72 IonicContact ND1-OE2 2.65Å; I29-E72 PolarHBondContact N-O 3.48Å; I29-E72 VanDerWaalsContact N-O 3.08Å; E72-R119 IonicContact OE1-CZ 3.03Å; E72-R119 IonicContact OE1-NH2 2.91Å; E72-R119 PolarHBondContact OE1-NH2 2.82Å; E72-S163 WeakPolarHBondContact OE1-CA 3.42Å; E72-S163 WeakPolarHBondContact OE1-CB 3.29Å; E72-S163 PolarHBondContact OE1-OG 3.48Å; E72-P164 WeakPolarHBondContact OE2-CD 3.29Å; E72-P164 WeakPolarHBondContact OE2-CG 3.19Å |
| 73 | V | 95 | Very high | 92.7 | Very high | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.1 | 177.8 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | I29 F31 L62 C65 V75 | I29-V73 CarbonylContact O-C 3.51Å; I29-V73 VanDerWaalsContact O-CA 3.24Å; I29-V73 WeakPolarHBondContact O-CA 3.44Å; F31-V73 HydrophobicContact CD2-CG1 3.7Å; F31-V73 HydrophobicContact CE2-CG1 3.75Å; L62-V73 HydrophobicContact CD2-CB 3.62Å; L62-V73 HydrophobicContact CD2-CG1 3.74Å; L62-V73 HydrophobicContact CD2-CG2 3.91Å; C65-V73 HydrophobicContact CB-CG2 3.86Å; V73-V75 HydrophobicContact CG1-CG1 3.83Å |
| 74 | T | 96.6 | Very high | 92.6 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.6 | 171.6 | -62 | 0 | 0 | 0 | 0 | 110.1 | H28 I29 A30 F31 F181 L182 | H28-T74 PolarHBondContact CE1-OG1 3.39Å; H28-T74 VanDerWaalsContact CE1-OG1 3.27Å; H28-T74 WeakPolarHBondContact NE2-CB 3.37Å; H28-T74 PolarHBondContact NE2-OG1 3.12Å; I29-T74 PolarHBondContact O-N 3.32Å; A30-T74 CarbonylContact C-O 3.49Å; A30-T74 WeakPolarHBondContact CA-O 3.03Å; F31-T74 PolarHBondContact N-O 2.97Å; T74-F181 HydrophobicContact CG2-CZ 4.01Å; T74-L182 HydrophobicContact CG2-CD1 3.96Å |
| 75 | V | 94.9 | Very high | 92.4 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.9 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | F31 M33 L58 V73 A77 | F31-V75 HydrophobicContact CB-CG1 4.14Å; F31-V75 HydrophobicContact CD2-CG1 4.24Å; F31-V75 WeakPolarHBondContact O-CA 3.32Å; M33-V75 HydrophobicContact CE-CB 3.76Å; M33-V75 HydrophobicContact CE-CG2 3.85Å; M33-V75 HydrophobicContact CG-CB 4.47Å; M33-V75 HydrophobicContact SD-CB 3.89Å; M33-V75 HydrophobicContact SD-CG1 4.16Å; M33-V75 HydrophobicContact SD-CG2 4.35Å; L58-V75 HydrophobicContact CD1-CB 4.29Å; L58-V75 HydrophobicContact CD1-CG1 3.57Å; L58-V75 HydrophobicContact CD1-CG2 4.11Å; L58-V75 HydrophobicContact CD2-CG2 4.14Å; V73-V75 HydrophobicContact CG1-CG1 3.83Å; V75-A77 PolarHBondContact O-N 3.14Å |
| 76 | Y | 94.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 92.4 | 175.6 | -156.1 | -167.9 | 0 | 0 | 0 | 110.5 | F31 S79 F181 | F31-Y76 PolarHBondContact O-N 3.23Å; Y76-S79 VanDerWaalsContact CZ-CB 3.43Å; Y76-S79 WeakPolarHBondContact OH-CB 3.34Å; Y76-F181 VanDerWaalsContact CB-CE2 3.48Å; Y76-F181 HydrophobicContact CD1-CB 3.61Å; Y76-F181 HydrophobicContact CD1-CD1 4.38Å; Y76-F181 AromaticContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CE2 4.31Å; Y76-F181 AromaticContact CD1-CG 3.6Å; Y76-F181 HydrophobicContact CD1-CG 3.6Å; Y76-F181 AromaticContact CD2-CD2 3.54Å; Y76-F181 HydrophobicContact CD2-CD2 3.54Å; Y76-F181 AromaticContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CG 4.41Å; Y76-F181 HydrophobicContact CE1-CB 3.67Å; Y76-F181 AromaticContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CG 4.08Å; Y76-F181 AromaticContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CE2 4.5Å; Y76-F181 HydrophobicContact CG-CB 4.28Å; Y76-F181 HydrophobicContact CG-CD1 4.46Å; Y76-F181 AromaticContact CG-CD2 3.31Å; Y76-F181 HydrophobicContact CG-CD2 3.31Å; Y76-F181 AromaticContact CG-CE2 3.62Å; Y76-F181 HydrophobicContact CG-CE2 3.62Å; Y76-F181 AromaticContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CZ 4.29Å |
| 77 | A | 89.9 | Confident | 92.3 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | trans | -86.2 | -42.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M33 V75 | M33-A77 HydrophobicContact CE-CB 4.21Å; V75-A77 PolarHBondContact O-N 3.14Å | ||
| 78 | F | 89.8 | Confident | 92.2 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | trans | -150.2 | 129.1 | -178.9 | -168.1 | -91.4 | 0 | 0 | 0 | 110.2 | N82 F83 V90 L93 M94 | F78-N82 HydrophobicContact CD2-CB 4.19Å; F78-N82 HydrophobicContact CE1-CB 4.21Å; F78-N82 HydrophobicContact CE2-CB 3.78Å; F78-N82 HydrophobicContact CZ-CB 3.79Å; F78-F83 HydrophobicContact CE1-CD1 4.08Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.9Å; F78-F83 HydrophobicContact CE1-CE1 3.9Å; F78-F83 AromaticContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CG 4.12Å; F78-F83 AromaticContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.38Å; F78-V90 HydrophobicContact CZ-CG1 4.4Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.25Å; F78-L93 HydrophobicContact CE2-CD1 3.75Å; F78-M94 HydrophobicContact CD1-CE 4.21Å; F78-M94 HydrophobicContact CD2-CE 4.25Å; F78-M94 HydrophobicContact CE1-CE 3.68Å; F78-M94 HydrophobicContact CE2-CE 3.72Å; F78-M94 HydrophobicContact CG-CE 4.48Å; F78-M94 HydrophobicContact CZ-CE 3.4Å; F78-M94 VanDerWaalsContact CZ-CE 3.4Å | ||
| 79 | S | 90.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | trans | -101 | 154.3 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | Y76 E81 N82 | Y76-S79 VanDerWaalsContact CZ-CB 3.43Å; Y76-S79 WeakPolarHBondContact OH-CB 3.34Å; S79-E81 PolarHBondContact O-N 3.39Å; S79-N82 PolarHBondContact N-OD1 2.85Å; S79-N82 VanDerWaalsContact N-OD1 3.09Å; S79-N82 WeakPolarHBondContact O-CA 3.41Å; S79-N82 VanDerWaalsContact O-CB 3.27Å; S79-N82 WeakPolarHBondContact O-CB 3.28Å; S79-N82 PolarHBondContact O-N 3.47Å; S79-N82 PolarHBondContact OG-N 2.79Å; S79-N82 PolarHBondContact OG-ND2 2.8Å; S79-N82 PolarHBondContact OG-OD1 3.3Å | ||
| 80 | I | 87.9 | Confident | 91.8 | Very high | 88 Ų | 88 | 65 Ų | 65 | 45% | 0.451 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -56.8 | -38.5 | 173.5 | -63.1 | 175.4 | 0 | 0 | 0 | 110.5 | N82 F83 D123 L126 | I80-N82 PolarHBondContact O-N 2.82Å; I80-N82 VanDerWaalsContact O-N 3.09Å; I80-F83 HydrophobicContact CG2-CD2 4.34Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 VanDerWaalsContact O-CD2 3.27Å; I80-F83 WeakPolarHBondContact O-CD2 3.36Å; I80-F83 PolarHBondContact O-N 3.14Å; I80-D123 HydrophobicContact CD1-CB 4.26Å; I80-L126 HydrophobicContact CD1-CD1 4.11Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.27Å |
| 81 | E | 87.8 | Confident | 91.6 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59.5 | -21.7 | 174.5 | -69.4 | -63.3 | 127.7 | 0 | 0 | 113.4 | S79 F83 K84 | S79-E81 PolarHBondContact O-N 3.39Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.89Å; E81-K84 WeakPolarHBondContact O-CB 3.4Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 2.71Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.41Å; E81-K84 IonicContact OE2-NZ 2.66Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å |
| 82 | N | 90.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -75.5 | -14.2 | 176.5 | -57.5 | 152.5 | 0 | 0 | 0 | 113.7 | F78 S79 I80 K84 R85 V90 | F78-N82 HydrophobicContact CD2-CB 4.19Å; F78-N82 HydrophobicContact CE1-CB 4.21Å; F78-N82 HydrophobicContact CE2-CB 3.78Å; F78-N82 HydrophobicContact CZ-CB 3.79Å; S79-N82 PolarHBondContact N-OD1 2.85Å; S79-N82 VanDerWaalsContact N-OD1 3.09Å; S79-N82 WeakPolarHBondContact O-CA 3.41Å; S79-N82 VanDerWaalsContact O-CB 3.27Å; S79-N82 WeakPolarHBondContact O-CB 3.28Å; S79-N82 PolarHBondContact O-N 3.47Å; S79-N82 PolarHBondContact OG-N 2.79Å; S79-N82 PolarHBondContact OG-ND2 2.8Å; S79-N82 PolarHBondContact OG-OD1 3.3Å; I80-N82 PolarHBondContact O-N 2.82Å; I80-N82 VanDerWaalsContact O-N 3.09Å; N82-K84 PolarHBondContact O-N 3.31Å; N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NE 3.11Å; N82-R85 PolarHBondContact ND2-NH2 3.06Å; N82-R85 WeakPolarHBondContact O-CB 3.38Å; N82-R85 VanDerWaalsContact O-CG 3.32Å; N82-R85 WeakPolarHBondContact O-CG 3.47Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact OD1-NH2 3.26Å; N82-V90 WeakPolarHBondContact O-CG2 3.15Å |
| 83 | F | 91 | Very high | 91.7 | Very high | 75 Ų | 75 | 61.6 Ų | 61.6 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -62.5 | -22.1 | 168.2 | -73.3 | -66.6 | 0 | 0 | 0 | 112.7 | F78 I80 E81 R85 V90 M94 L126 L127 | F78-F83 HydrophobicContact CE1-CD1 4.08Å; F78-F83 AromaticContact CE1-CD2 3.99Å; F78-F83 HydrophobicContact CE1-CD2 3.99Å; F78-F83 AromaticContact CE1-CE1 3.9Å; F78-F83 HydrophobicContact CE1-CE1 3.9Å; F78-F83 AromaticContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CE2 3.79Å; F78-F83 HydrophobicContact CE1-CG 4.12Å; F78-F83 AromaticContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CE1-CZ 3.76Å; F78-F83 HydrophobicContact CZ-CD1 4.13Å; F78-F83 HydrophobicContact CZ-CE1 4.2Å; F78-F83 HydrophobicContact CZ-CG 4.38Å; I80-F83 HydrophobicContact CG2-CD2 4.34Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 VanDerWaalsContact O-CD2 3.27Å; I80-F83 WeakPolarHBondContact O-CD2 3.36Å; I80-F83 PolarHBondContact O-N 3.14Å; E81-F83 VanDerWaalsContact C-N 3.28Å; E81-F83 PolarHBondContact O-N 2.89Å; F83-R85 PolarHBondContact O-N 2.8Å; F83-V90 HydrophobicContact CD1-CG1 4.25Å; F83-M94 HydrophobicContact CE1-CE 3.92Å; F83-M94 HydrophobicContact CZ-CE 4.39Å; F83-L126 HydrophobicContact CE2-CB 4Å; F83-L126 HydrophobicContact CE2-CD1 4.3Å; F83-L126 HydrophobicContact CZ-CB 4.09Å; F83-L127 HydrophobicContact CZ-CD2 4.15Å |
| 84 | K | 91.8 | Very high | 91.6 | Very high | 155 Ų | 155 | 60.1 Ų | 60.1 | 67% | 0.674 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -75.4 | -2.7 | 177.2 | -57.6 | 176.7 | -174.3 | 168.4 | 0 | 113.6 | E81 N82 | E81-K84 WeakPolarHBondContact O-CB 3.4Å; E81-K84 PolarHBondContact O-N 2.87Å; E81-K84 IonicContact OE1-NZ 2.71Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 WeakPolarHBondContact OE2-CE 3.41Å; E81-K84 IonicContact OE2-NZ 2.66Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å; N82-K84 PolarHBondContact O-N 3.31Å |
| 85 | R | 92.4 | Very high | 91.5 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 26% | 0.26 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -77.1 | 174.2 | 177.4 | -60.8 | -170.9 | -169.4 | 171.6 | 9.3 | 111 | N82 F83 E89 V90 | N82-R85 VanDerWaalsContact CG-NH2 3.25Å; N82-R85 PolarHBondContact ND2-NE 3.11Å; N82-R85 PolarHBondContact ND2-NH2 3.06Å; N82-R85 WeakPolarHBondContact O-CB 3.38Å; N82-R85 VanDerWaalsContact O-CG 3.32Å; N82-R85 WeakPolarHBondContact O-CG 3.47Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 VanDerWaalsContact O-N 3.16Å; N82-R85 PolarHBondContact OD1-NH2 3.26Å; F83-R85 PolarHBondContact O-N 2.8Å; R85-E89 WeakPolarHBondContact CD-OE1 3.18Å; R85-E89 IonicContact CZ-OE1 3.42Å; R85-E89 IonicContact NE-OE1 3.67Å; R85-E89 IonicContact NH1-OE1 3.5Å; R85-E89 PolarHBondContact NH1-OE1 2.99Å; R85-V90 HydrophobicContact CB-CG2 4.11Å |
| 86 | S | 93.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 62.1 Ų | 62.1 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | trans | -61.1 | 141.9 | 178.2 | 55.2 | 0 | 0 | 0 | 0 | 111 | S88 E89 V90 | S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.3Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 2.89Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; S86-V90 PolarHBondContact O-N 3.02Å | ||
| 87 | K | 92.7 | Very high | 91.2 | Very high | 159 Ų | 159 | 60.5 Ų | 60.5 | 69% | 0.691 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -49.9 | -47.6 | 179.6 | -179.5 | 175.1 | 179.3 | -175.9 | 0 | 112.4 | E89 V90 D91 | K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 PolarHBondContact O-N 3.17Å; K87-V90 PolarHBondContact O-N 3.17Å; K87-V90 VanDerWaalsContact O-N 3.16Å; K87-D91 VanDerWaalsContact CE-OD2 3.29Å; K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 VanDerWaalsContact CG-OD2 3.26Å; K87-D91 WeakPolarHBondContact CG-OD2 3.07Å; K87-D91 WeakPolarHBondContact O-CB 3.26Å; K87-D91 PolarHBondContact O-N 2.96Å |
| 88 | S | 91.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 59.3 Ų | 59.3 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.4 | -35 | 176.7 | 165.6 | 0 | 0 | 0 | 0 | 113.9 | S86 G92 | S86-S88 VanDerWaalsContact C-N 3.28Å; S86-S88 PolarHBondContact O-N 3.3Å; S88-G92 PolarHBondContact O-N 3.49Å; S88-G92 VanDerWaalsContact O-N 3.15Å |
| 89 | E | 88.8 | Confident | 91.5 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.7 | -40.2 | 177.7 | -172.2 | 176.2 | 140.4 | 0 | 0 | 111.1 | R37 R47 R85 S86 K87 L93 | R37-E89 WeakPolarHBondContact CD-OE1 3.49Å; R37-E89 IonicContact CZ-OE1 3.6Å; R37-E89 IonicContact NE-OE1 3.97Å; R37-E89 IonicContact NH1-OE1 3.58Å; R37-E89 PolarHBondContact NH1-OE1 3.2Å; R37-E89 IonicContact NH1-OE2 2.76Å; R47-E89 IonicContact CZ-OE2 2.69Å; R47-E89 IonicContact NH1-OE2 3.39Å; R47-E89 PolarHBondContact NH1-OE2 3.32Å; R85-E89 WeakPolarHBondContact CD-OE1 3.18Å; R85-E89 IonicContact CZ-OE1 3.42Å; R85-E89 IonicContact NE-OE1 3.67Å; R85-E89 IonicContact NH1-OE1 3.5Å; R85-E89 PolarHBondContact NH1-OE1 2.99Å; S86-E89 WeakPolarHBondContact O-CB 3.35Å; S86-E89 PolarHBondContact O-N 2.89Å; S86-E89 WeakPolarHBondContact OG-CB 3.26Å; K87-E89 VanDerWaalsContact C-N 3.27Å; K87-E89 PolarHBondContact O-N 3.17Å; E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.4Å; E89-L93 PolarHBondContact O-N 3.2Å |
| 90 | V | 92.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | F78 N82 F83 R85 S86 K87 G92 L93 M94 | F78-V90 HydrophobicContact CZ-CG1 4.4Å; N82-V90 WeakPolarHBondContact O-CG2 3.15Å; F83-V90 HydrophobicContact CD1-CG1 4.25Å; R85-V90 HydrophobicContact CB-CG2 4.11Å; S86-V90 PolarHBondContact O-N 3.02Å; K87-V90 PolarHBondContact O-N 3.17Å; K87-V90 VanDerWaalsContact O-N 3.16Å; V90-G92 VanDerWaalsContact C-N 3.34Å; V90-G92 PolarHBondContact O-N 2.87Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 2.95Å; V90-L93 VanDerWaalsContact O-N 3.11Å; V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-CG 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 3.06Å |
| 91 | D | 91.8 | Very high | 91.5 | Very high | 71 Ų | 71 | 59 Ų | 59 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 178.2 | -68 | -12 | 0 | 0 | 0 | 110.5 | K87 L93 M94 D95 | K87-D91 VanDerWaalsContact CE-OD2 3.29Å; K87-D91 WeakPolarHBondContact CE-OD2 3.44Å; K87-D91 VanDerWaalsContact CG-OD2 3.26Å; K87-D91 WeakPolarHBondContact CG-OD2 3.07Å; K87-D91 WeakPolarHBondContact O-CB 3.26Å; K87-D91 PolarHBondContact O-N 2.96Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.46Å; D91-M94 PolarHBondContact O-N 3.03Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-D95 VanDerWaalsContact O-CG 3.29Å; D91-D95 PolarHBondContact O-N 3.3Å |
| 92 | G | 91.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q48 S88 V90 L96 | Q48-G92 PolarHBondContact NE2-O 3.06Å; Q48-G92 PolarHBondContact OE1-O 3.23Å; S88-G92 PolarHBondContact O-N 3.49Å; S88-G92 VanDerWaalsContact O-N 3.15Å; V90-G92 VanDerWaalsContact C-N 3.34Å; V90-G92 PolarHBondContact O-N 2.87Å; G92-L96 WeakPolarHBondContact O-CB 3.09Å; G92-L96 PolarHBondContact O-N 3.12Å |
| 93 | L | 91.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 174.3 | -73.8 | 168.2 | 0 | 0 | 0 | 112.4 | H51 F78 E89 V90 D91 L96 A97 | H51-L93 HydrophobicContact CB-CD2 4.14Å; F78-L93 HydrophobicContact CD2-CB 4.42Å; F78-L93 HydrophobicContact CD2-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CB 4.25Å; F78-L93 HydrophobicContact CE2-CD1 3.75Å; E89-L93 HydrophobicContact CG-CD1 4.47Å; E89-L93 WeakPolarHBondContact O-CG 3.4Å; E89-L93 PolarHBondContact O-N 3.2Å; V90-L93 WeakPolarHBondContact O-CB 3.3Å; V90-L93 PolarHBondContact O-N 2.95Å; V90-L93 VanDerWaalsContact O-N 3.11Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 2.76Å; L93-A97 PolarHBondContact O-N 2.97Å |
| 94 | M | 94.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 175.8 | -62.9 | -58.3 | 149.6 | 0 | 0 | 111.1 | F78 F83 V90 D91 L96 A97 R98 L127 P128 L131 | F78-M94 HydrophobicContact CD1-CE 4.21Å; F78-M94 HydrophobicContact CD2-CE 4.25Å; F78-M94 HydrophobicContact CE1-CE 3.68Å; F78-M94 HydrophobicContact CE2-CE 3.72Å; F78-M94 HydrophobicContact CG-CE 4.48Å; F78-M94 HydrophobicContact CZ-CE 3.4Å; F78-M94 VanDerWaalsContact CZ-CE 3.4Å; F83-M94 HydrophobicContact CE1-CE 3.92Å; F83-M94 HydrophobicContact CZ-CE 4.39Å; V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-CG 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.37Å; V90-M94 PolarHBondContact O-N 3.06Å; D91-M94 PolarHBondContact O-N 3.03Å; D91-M94 VanDerWaalsContact O-N 3.13Å; M94-L96 VanDerWaalsContact C-N 3.34Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.39Å; M94-R98 WeakPolarHBondContact O-CG 3.34Å; M94-R98 PolarHBondContact O-N 2.66Å; M94-L127 HydrophobicContact CE-CD2 4.03Å; M94-L127 HydrophobicContact SD-CD2 3.94Å; M94-P128 HydrophobicContact CG-CG 4.46Å; M94-L131 HydrophobicContact SD-CD2 3.72Å |
| 95 | D | 93.4 | Very high | 90.6 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.9 | -68.2 | -18.9 | 0 | 0 | 0 | 112 | D91 R98 Q99 | D91-D95 VanDerWaalsContact O-CG 3.29Å; D91-D95 PolarHBondContact O-N 3.3Å; D95-R98 PolarHBondContact O-N 2.92Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NH1 3.11Å; D95-R98 PolarHBondContact OD1-NH1 3.39Å; D95-Q99 WeakPolarHBondContact O-CB 3.49Å; D95-Q99 PolarHBondContact O-N 2.94Å |
| 96 | L | 91.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 170.8 | -173.6 | 65.1 | 0 | 0 | 0 | 110.5 | H51 G92 L93 M94 R98 Q99 K100 | H51-L96 HydrophobicContact CB-CD2 3.94Å; G92-L96 WeakPolarHBondContact O-CB 3.09Å; G92-L96 PolarHBondContact O-N 3.12Å; L93-L96 PolarHBondContact O-N 2.76Å; M94-L96 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.11Å; L96-Q99 PolarHBondContact O-N 2.94Å; L96-K100 HydrophobicContact CD1-CG 4.49Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.43Å; L96-K100 PolarHBondContact O-N 3.41Å |
| 97 | A | 91.6 | Very high | 90 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 22% | 0.223 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L93 M94 Q99 K100 F101 L131 | L93-A97 PolarHBondContact O-N 2.97Å; M94-A97 WeakPolarHBondContact O-CB 3.34Å; M94-A97 PolarHBondContact O-N 3.39Å; A97-Q99 PolarHBondContact O-N 3.15Å; A97-K100 PolarHBondContact O-N 3.39Å; A97-F101 HydrophobicContact CB-CD2 4.46Å; A97-F101 VanDerWaalsContact O-CD2 3.22Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 PolarHBondContact O-N 2.84Å; A97-L131 HydrophobicContact CB-CD1 3.98Å; A97-L131 HydrophobicContact CB-CD2 3.98Å |
| 98 | R | 93.1 | Very high | 89.3 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.4 | -54.9 | 173.7 | -72 | 171.6 | 179 | 108.7 | 6.7 | 111 | M94 D95 L96 K100 F101 S102 D130 L131 L134 | M94-R98 WeakPolarHBondContact O-CG 3.34Å; M94-R98 PolarHBondContact O-N 2.66Å; D95-R98 PolarHBondContact O-N 2.92Å; D95-R98 IonicContact OD1-CZ 3.8Å; D95-R98 IonicContact OD1-NH1 3.11Å; D95-R98 PolarHBondContact OD1-NH1 3.39Å; L96-R98 PolarHBondContact O-N 3.11Å; R98-K100 VanDerWaalsContact C-N 3.27Å; R98-K100 PolarHBondContact O-N 3.34Å; R98-F101 PolarHBondContact O-N 2.84Å; R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 3.29Å; R98-S102 PolarHBondContact O-OG 3.48Å; R98-D130 IonicContact CZ-OD2 2.61Å; R98-D130 VanDerWaalsContact CZ-OD2 3.28Å; R98-D130 IonicContact NE-OD2 3.29Å; R98-D130 PolarHBondContact NE-OD2 3.13Å; R98-D130 IonicContact NH2-OD1 2.74Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 IonicContact NH2-OD2 2.81Å; R98-D130 PolarHBondContact NH2-OD2 3.35Å; R98-L131 HydrophobicContact CG-CD1 4.14Å; R98-L134 HydrophobicContact CB-CD1 4.32Å; R98-L134 HydrophobicContact CG-CD1 4.27Å |
| 99 | Q | 92.7 | Very high | 88.8 | Confident | 115 Ų | 115 | 51.9 Ų | 51.9 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56 | -42.4 | -179.3 | -170.3 | -164.8 | 41.9 | 0 | 0 | 111.9 | D95 L96 A97 R103 | D95-Q99 WeakPolarHBondContact O-CB 3.49Å; D95-Q99 PolarHBondContact O-N 2.94Å; L96-Q99 PolarHBondContact O-N 2.94Å; A97-Q99 PolarHBondContact O-N 3.15Å; Q99-R103 VanDerWaalsContact O-CB 3.29Å; Q99-R103 WeakPolarHBondContact O-CB 3.29Å; Q99-R103 PolarHBondContact O-N 2.93Å; Q99-R103 VanDerWaalsContact O-N 3.13Å |
| 100 | K | 90.3 | Very high | 88.5 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.5 | -42 | -179.2 | -61.1 | -44.9 | 179.2 | -177.4 | 0 | 112.4 | W3 F55 L96 A97 R98 R103 L104 | W3-K100 HydrophobicContact CZ2-CB 4.07Å; W3-K100 PolarHBondContact NE1-O 2.66Å; F55-K100 HydrophobicContact CD1-CD 3.69Å; F55-K100 HydrophobicContact CD1-CG 4.17Å; F55-K100 HydrophobicContact CD2-CB 4.45Å; F55-K100 HydrophobicContact CD2-CD 4.21Å; F55-K100 HydrophobicContact CD2-CG 3.74Å; F55-K100 HydrophobicContact CE1-CD 3.52Å; F55-K100 HydrophobicContact CE1-CG 4.04Å; F55-K100 HydrophobicContact CE2-CB 3.87Å; F55-K100 HydrophobicContact CE2-CD 4.05Å; F55-K100 HydrophobicContact CE2-CG 3.59Å; F55-K100 HydrophobicContact CG-CD 4.03Å; F55-K100 HydrophobicContact CG-CG 4.02Å; F55-K100 HydrophobicContact CZ-CB 4Å; F55-K100 HydrophobicContact CZ-CD 3.71Å; F55-K100 HydrophobicContact CZ-CG 3.74Å; L96-K100 HydrophobicContact CD1-CG 4.49Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.43Å; L96-K100 PolarHBondContact O-N 3.41Å; A97-K100 PolarHBondContact O-N 3.39Å; R98-K100 VanDerWaalsContact C-N 3.27Å; R98-K100 PolarHBondContact O-N 3.34Å; K100-R103 PolarHBondContact O-N 2.95Å; K100-L104 PolarHBondContact O-N 3.46Å |
| 101 | F | 88.6 | Confident | 87.6 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 178.1 | -77.1 | -67.1 | 0 | 0 | 0 | 112.4 | W3 A97 R98 R103 L104 M105 V120 L131 L134 I135 A138 | W3-F101 HydrophobicContact CH2-CE1 4.24Å; W3-F101 HydrophobicContact CH2-CZ 4.41Å; W3-F101 HydrophobicContact CZ2-CD1 4.33Å; W3-F101 HydrophobicContact CZ2-CE1 4.17Å; W3-F101 HydrophobicContact CZ2-CZ 4.49Å; A97-F101 HydrophobicContact CB-CD2 4.46Å; A97-F101 VanDerWaalsContact O-CD2 3.22Å; A97-F101 WeakPolarHBondContact O-CD2 3.12Å; A97-F101 PolarHBondContact O-N 2.84Å; R98-F101 PolarHBondContact O-N 2.84Å; F101-R103 VanDerWaalsContact C-N 3.34Å; F101-R103 PolarHBondContact O-N 2.95Å; F101-L104 HydrophobicContact CD1-CD2 4.15Å; F101-L104 VanDerWaalsContact O-CB 3.28Å; F101-L104 WeakPolarHBondContact O-CB 3.44Å; F101-L104 PolarHBondContact O-N 3.26Å; F101-M105 PolarHBondContact O-N 3.35Å; F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.67Å; F101-L131 HydrophobicContact CD2-CD1 4.03Å; F101-L134 HydrophobicContact CB-CB 4.19Å; F101-I135 HydrophobicContact CD1-CG1 4.38Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.19Å; F101-I135 HydrophobicContact CE2-CD1 4.08Å; F101-I135 HydrophobicContact CE2-CG1 3.62Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.48Å; F101-I135 HydrophobicContact CZ-CG1 3.82Å; F101-A138 HydrophobicContact CD1-CB 3.96Å; F101-A138 HydrophobicContact CE1-CB 4.47Å |
| 102 | S | 89.1 | Confident | 86.7 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.6 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | R98 L104 M105 E106 | R98-S102 WeakPolarHBondContact O-CB 3.32Å; R98-S102 PolarHBondContact O-N 3.29Å; R98-S102 PolarHBondContact O-OG 3.48Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.04Å; S102-M105 WeakPolarHBondContact O-CB 3.4Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; S102-E106 PolarHBondContact O-N 2.75Å |
| 103 | R | 87.5 | Confident | 86.1 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 176.7 | -172.6 | 176.1 | -176 | 128.9 | 7.5 | 113.3 | M1 Q99 K100 F101 M105 E106 E107 | M1-R103 WeakPolarHBondContact O-CD 3.42Å; M1-R103 PolarHBondContact O-NE 3.26Å; Q99-R103 VanDerWaalsContact O-CB 3.29Å; Q99-R103 WeakPolarHBondContact O-CB 3.29Å; Q99-R103 PolarHBondContact O-N 2.93Å; Q99-R103 VanDerWaalsContact O-N 3.13Å; K100-R103 PolarHBondContact O-N 2.95Å; F101-R103 VanDerWaalsContact C-N 3.34Å; F101-R103 PolarHBondContact O-N 2.95Å; R103-M105 PolarHBondContact O-N 3.01Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.79Å; R103-E107 IonicContact CZ-OE1 2.8Å; R103-E107 IonicContact NE-OE1 3.71Å; R103-E107 PolarHBondContact NE-OE1 3.22Å; R103-E107 IonicContact NH2-OE1 3.65Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.21Å |
| 104 | L | 83.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 174.8 | -174 | 73.2 | 0 | 0 | 0 | 111.1 | W3 K100 F101 S102 E106 E107 Q108 L111 I118 A138 | W3-L104 HydrophobicContact CB-CD1 3.84Å; W3-L104 HydrophobicContact CD2-CD1 3.77Å; W3-L104 HydrophobicContact CE3-CD1 4.46Å; W3-L104 HydrophobicContact CG-CD1 3.45Å; W3-L104 VanDerWaalsContact CG-CD1 3.45Å; K100-L104 PolarHBondContact O-N 3.46Å; F101-L104 HydrophobicContact CD1-CD2 4.15Å; F101-L104 VanDerWaalsContact O-CB 3.28Å; F101-L104 WeakPolarHBondContact O-CB 3.44Å; F101-L104 PolarHBondContact O-N 3.26Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.04Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E107 CarbonylContact O-C 3.48Å; L104-E107 PolarHBondContact O-N 2.85Å; L104-E107 VanDerWaalsContact O-N 3.13Å; L104-Q108 PolarHBondContact O-N 2.92Å; L104-L111 HydrophobicContact CD1-CD1 3.5Å; L104-L111 VanDerWaalsContact CD1-CD1 3.5Å; L104-L111 HydrophobicContact CD1-CD2 3.74Å; L104-L111 HydrophobicContact CD1-CG 4.17Å; L104-L111 HydrophobicContact CG-CD1 3.73Å; L104-I118 HydrophobicContact CD1-CD1 3.36Å; L104-I118 HydrophobicContact CD2-CD1 3.46Å; L104-I118 VanDerWaalsContact CD2-CD1 3.46Å; L104-I118 HydrophobicContact CG-CD1 4Å; L104-A138 HydrophobicContact CD2-CB 3.6Å |
| 105 | M | 82 | Confident | 84.3 | Confident | 50 Ų | 50 | 68 Ų | 68 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -31.9 | 177.1 | -61.6 | -61.9 | -74.7 | 0 | 0 | 112.5 | F101 S102 R103 E107 Q108 Q137 A138 | F101-M105 PolarHBondContact O-N 3.35Å; S102-M105 WeakPolarHBondContact O-CB 3.4Å; S102-M105 PolarHBondContact O-N 3.22Å; S102-M105 VanDerWaalsContact O-N 3.09Å; R103-M105 PolarHBondContact O-N 3.01Å; M105-E107 PolarHBondContact O-N 2.87Å; M105-Q108 VanDerWaalsContact O-CG 3.27Å; M105-Q108 WeakPolarHBondContact O-CG 3.18Å; M105-Q137 HydrophobicContact CE-CB 3.84Å; M105-Q137 HydrophobicContact SD-CB 4.31Å; M105-A138 HydrophobicContact SD-CB 4.38Å |
| 106 | E | 86.8 | Confident | 83.5 | Confident | 155 Ų | 155 | 66.1 Ų | 66.1 | 72% | 0.724 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.6 | -22 | 171.7 | -61 | 168.1 | -177.8 | 0 | 0 | 112.4 | S102 R103 L104 | S102-E106 PolarHBondContact O-N 2.75Å; R103-E106 WeakPolarHBondContact O-CB 3.48Å; R103-E106 PolarHBondContact O-N 2.79Å; L104-E106 VanDerWaalsContact C-N 3.34Å |
| 107 | E | 85.5 | Confident | 83.1 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 20 | -174.1 | -66.4 | 174.7 | 178.4 | 0 | 0 | 113 | S2 W3 R103 L104 M105 E109 K110 L111 | S2-E107 WeakPolarHBondContact CA-OE1 3.4Å; S2-E107 VanDerWaalsContact CA-OE2 3.25Å; S2-E107 WeakPolarHBondContact CA-OE2 3.41Å; S2-E107 VanDerWaalsContact CB-CD 3.49Å; S2-E107 WeakPolarHBondContact CB-OE1 3.5Å; S2-E107 WeakPolarHBondContact CB-OE2 3.33Å; S2-E107 PolarHBondContact OG-OE1 3.02Å; S2-E107 PolarHBondContact OG-OE2 3.49Å; W3-E107 PolarHBondContact N-OE2 3.48Å; W3-E107 VanDerWaalsContact N-OE2 3.16Å; R103-E107 IonicContact CZ-OE1 2.8Å; R103-E107 IonicContact NE-OE1 3.71Å; R103-E107 PolarHBondContact NE-OE1 3.22Å; R103-E107 IonicContact NH2-OE1 3.65Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.21Å; L104-E107 CarbonylContact O-C 3.48Å; L104-E107 PolarHBondContact O-N 2.85Å; L104-E107 VanDerWaalsContact O-N 3.13Å; M105-E107 PolarHBondContact O-N 2.87Å; E107-E109 VanDerWaalsContact C-N 3.32Å; E107-E109 PolarHBondContact O-N 3.19Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.12Å; E107-L111 PolarHBondContact O-N 2.68Å; E107-L111 VanDerWaalsContact O-N 3.16Å |
| 108 | Q | 77.4 | Confident | 82.7 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.6 | -41.9 | -177.6 | -81.4 | 177.5 | 5.8 | 0 | 0 | 114.1 | L104 M105 K110 L111 Q112 | L104-Q108 PolarHBondContact O-N 2.92Å; M105-Q108 VanDerWaalsContact O-CG 3.27Å; M105-Q108 WeakPolarHBondContact O-CG 3.18Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 3Å; Q108-L111 WeakPolarHBondContact O-CB 3.32Å; Q108-L111 PolarHBondContact O-N 2.86Å; Q108-Q112 WeakPolarHBondContact O-CB 3.49Å; Q108-Q112 PolarHBondContact O-N 3.1Å |
| 109 | E | 81.9 | Confident | 82.3 | Confident | 165 Ų | 165 | 67.4 Ų | 67.4 | 77% | 0.771 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.4 | -38.1 | 178.1 | -65.3 | -177.2 | 173.4 | 0 | 0 | 112.1 | E107 K113 | E107-E109 VanDerWaalsContact C-N 3.32Å; E107-E109 PolarHBondContact O-N 3.19Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.47Å; E109-K113 PolarHBondContact O-N 3.31Å |
| 110 | K | 81.3 | Confident | 82 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 177.2 | -68 | -175.8 | 179.3 | -179.9 | 0 | 111.5 | I4 E107 Q108 K113 H114 | I4-K110 HydrophobicContact CD1-CB 3.95Å; I4-K110 WeakPolarHBondContact CD1-O 3.34Å; E107-K110 WeakPolarHBondContact O-CB 3.32Å; E107-K110 PolarHBondContact O-N 3.12Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 3Å; K110-K113 PolarHBondContact O-N 3.4Å; K110-H114 PolarHBondContact O-N 2.55Å; K110-H114 VanDerWaalsContact O-N 3.14Å; K110-H114 PolarHBondContact O-ND1 3.22Å |
| 111 | L | 74 | Confident | 81.9 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.3 | -63.7 | 166.6 | 0 | 0 | 0 | 110.7 | I4 L104 E107 Q108 H114 G115 V116 I118 T142 | I4-L111 HydrophobicContact CD1-CD2 3.76Å; I4-L111 HydrophobicContact CD1-CG 4.28Å; I4-L111 HydrophobicContact CG1-CD2 4.27Å; L104-L111 HydrophobicContact CD1-CD1 3.5Å; L104-L111 VanDerWaalsContact CD1-CD1 3.5Å; L104-L111 HydrophobicContact CD1-CD2 3.74Å; L104-L111 HydrophobicContact CD1-CG 4.17Å; L104-L111 HydrophobicContact CG-CD1 3.73Å; E107-L111 PolarHBondContact O-N 2.68Å; E107-L111 VanDerWaalsContact O-N 3.16Å; Q108-L111 WeakPolarHBondContact O-CB 3.32Å; Q108-L111 PolarHBondContact O-N 2.86Å; L111-H114 CarbonylContact O-C 3.55Å; L111-H114 PolarHBondContact O-N 2.81Å; L111-G115 PolarHBondContact O-N 2.91Å; L111-V116 HydrophobicContact CD2-CB 3.9Å; L111-V116 HydrophobicContact CD2-CG1 3.97Å; L111-V116 PolarHBondContact O-N 3.24Å; L111-I118 HydrophobicContact CD2-CD1 4.21Å; L111-T142 HydrophobicContact CD1-CG2 4.08Å |
| 112 | Q | 74.4 | Confident | 81.8 | Confident | 130 Ų | 130 | 66.9 Ų | 66.9 | 61% | 0.607 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 176.9 | 176.3 | 169.6 | 26.4 | 0 | 0 | 111.8 | Q108 H114 G115 Y145 | Q108-Q112 WeakPolarHBondContact O-CB 3.49Å; Q108-Q112 PolarHBondContact O-N 3.1Å; Q112-H114 PolarHBondContact O-N 2.98Å; Q112-G115 PolarHBondContact O-N 3.08Å; Q112-G115 VanDerWaalsContact O-N 3.17Å; Q112-Y145 WeakPolarHBondContact CG-OH 3.34Å |
| 113 | K | 78.6 | Confident | 81.7 | Confident | 154 Ų | 154 | 67.7 Ų | 67.7 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56 | -37 | 177.8 | -179.9 | -174.7 | 172 | -163.6 | 0 | 112.4 | E6 E109 K110 | E6-K113 IonicContact OE1-NZ 3.77Å; E6-K113 PolarHBondContact OE1-NZ 2.82Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.47Å; E109-K113 PolarHBondContact O-N 3.31Å; K110-K113 PolarHBondContact O-N 3.4Å |
| 114 | H | 73.7 | Confident | 81.8 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -99.1 | 0.2 | -177.8 | -64.4 | 88 | 0 | 0 | 0 | 113.8 | I4 E6 K110 L111 Q112 V116 | I4-H114 HydrophobicContact CD1-CB 4.37Å; E6-H114 IonicContact OE1-CE1 2.66Å; E6-H114 PolarHBondContact OE1-CE1 3.46Å; E6-H114 IonicContact OE1-NE2 3.03Å; K110-H114 PolarHBondContact O-N 2.55Å; K110-H114 VanDerWaalsContact O-N 3.14Å; K110-H114 PolarHBondContact O-ND1 3.22Å; L111-H114 CarbonylContact O-C 3.55Å; L111-H114 PolarHBondContact O-N 2.81Å; Q112-H114 PolarHBondContact O-N 2.98Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.88Å; H114-V116 PolarHBondContact O-N 3.28Å |
| 115 | G | 73.4 | Confident | 82.1 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 33.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L111 Q112 C117 | L111-G115 PolarHBondContact O-N 2.91Å; Q112-G115 PolarHBondContact O-N 3.08Å; Q112-G115 VanDerWaalsContact O-N 3.17Å; G115-C117 PolarHBondContact O-N 3.34Å |
| 116 | V | 76.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | trans | -79.2 | 120.7 | -174.8 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | I4 L111 H114 I118 T142 | I4-V116 HydrophobicContact CD1-CG2 4.03Å; I4-V116 HydrophobicContact CG1-CG2 4.47Å; L111-V116 HydrophobicContact CD2-CB 3.9Å; L111-V116 HydrophobicContact CD2-CG1 3.97Å; L111-V116 PolarHBondContact O-N 3.24Å; H114-V116 VanDerWaalsContact C-N 3.31Å; H114-V116 HydrophobicContact CB-CG2 3.88Å; H114-V116 PolarHBondContact O-N 3.28Å; V116-I118 HydrophobicContact CG1-CD1 4.48Å; V116-I118 HydrophobicContact CG1-CG1 4.13Å; V116-T142 WeakPolarHBondContact O-CB 3.44Å | ||
| 117 | C | 81.9 | Confident | 82.8 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | trans | -95.9 | 127.2 | 170.7 | -170 | 0 | 0 | 0 | 0 | 110.6 | G115 T142 | G115-C117 PolarHBondContact O-N 3.34Å; C117-T142 PolarHBondContact SG-O 3.31Å | ||
| 118 | I | 82.8 | Confident | 83.2 | Confident | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | trans | -112 | 130.4 | 175.3 | -67.8 | 170.9 | 0 | 0 | 0 | 109.6 | W3 L104 L111 V116 V120 T142 | W3-I118 HydrophobicContact CE3-CD1 4.12Å; W3-I118 HydrophobicContact CZ3-CD1 4.34Å; L104-I118 HydrophobicContact CD1-CD1 3.36Å; L104-I118 HydrophobicContact CD2-CD1 3.46Å; L104-I118 VanDerWaalsContact CD2-CD1 3.46Å; L104-I118 HydrophobicContact CG-CD1 4Å; L111-I118 HydrophobicContact CD2-CD1 4.21Å; V116-I118 HydrophobicContact CG1-CD1 4.48Å; V116-I118 HydrophobicContact CG1-CG1 4.13Å; I118-V120 HydrophobicContact CG2-CG2 4.44Å; I118-T142 PolarHBondContact N-OG1 2.93Å; I118-T142 PolarHBondContact O-OG1 3.47Å | ||
| 119 | R | 85.8 | Confident | 83.8 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | trans | -125.9 | 135.7 | 173.5 | -61.8 | -175.4 | -71.3 | -113.2 | 1.7 | 108.7 | E72 L121 N146 S163 | E72-R119 IonicContact OE1-CZ 3.03Å; E72-R119 IonicContact OE1-NH2 2.91Å; E72-R119 PolarHBondContact OE1-NH2 2.82Å; R119-L121 HydrophobicContact CB-CD2 4.07Å; R119-N146 PolarHBondContact NH1-ND2 3.23Å; R119-N146 VanDerWaalsContact NH1-ND2 3.14Å; R119-N146 PolarHBondContact NH1-OD1 3.3Å; R119-S163 PolarHBondContact NH2-OG 2.83Å | ||
| 120 | V | 86.7 | Confident | 84.3 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 24% | 0.242 | 33% | 0.331 | C | S | . | . | trans | -115 | 122.9 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 108 | F101 I118 L124 I135 V139 | F101-V120 HydrophobicContact CE1-CG2 3.85Å; F101-V120 HydrophobicContact CZ-CG2 3.67Å; I118-V120 HydrophobicContact CG2-CG2 4.44Å; V120-L124 HydrophobicContact CG1-CD2 3.94Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.29Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.69Å; V120-V139 HydrophobicContact CG2-CG2 4.21Å | ||
| 121 | L | 87.5 | Confident | 84.7 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | trans | -117.6 | 132.3 | -168.7 | -48.1 | -177 | 0 | 0 | 0 | 110.1 | R119 Y159 T160 | R119-L121 HydrophobicContact CB-CD2 4.07Å; L121-Y159 WeakPolarHBondContact CD2-O 3.43Å; L121-T160 HydrophobicContact CD1-CG2 3.59Å | ||
| 122 | G | 87.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 146.4 | -172.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L124 | G122-L124 PolarHBondContact O-N 3.16Š|
| 123 | D | 87.1 | Confident | 86 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -78.3 | 68.8 | 177.1 | -70.4 | 9 | 0 | 0 | 0 | 110.3 | I80 H125 L126 Y159 | I80-D123 HydrophobicContact CD1-CB 4.26Å; D123-H125 PolarHBondContact O-N 3.21Å; D123-H125 VanDerWaalsContact O-N 3.07Å; D123-L126 HydrophobicContact CB-CD1 3.82Å; D123-L126 HydrophobicContact CB-CG 4.04Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.4Å; D123-L126 PolarHBondContact O-N 3.49Å; D123-Y159 PolarHBondContact OD1-OH 2.8Å | ||
| 124 | L | 89 | Confident | 86.4 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -60.1 | -24.1 | -170.6 | -58.6 | -175.5 | 0 | 0 | 0 | 113.5 | V120 G122 L126 L127 Q132 I135 W290 | V120-L124 HydrophobicContact CG1-CD2 3.94Å; G122-L124 PolarHBondContact O-N 3.16Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-L126 VanDerWaalsContact O-N 3.1Å; L124-L127 HydrophobicContact CD2-CD1 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.49Å; L124-L127 PolarHBondContact O-N 2.93Å; L124-Q132 VanDerWaalsContact O-CG 3.25Å; L124-Q132 WeakPolarHBondContact O-CG 3.18Å; L124-Q132 PolarHBondContact O-NE2 3.07Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L124-W290 HydrophobicContact CB-CH2 4.04Å; L124-W290 HydrophobicContact CD1-CZ3 4.42Å |
| 125 | H | 89.8 | Confident | 87 | Confident | 120 Ų | 120 | 46.6 Ų | 46.6 | 56% | 0.556 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -61.5 | -16.7 | 174.6 | 60.7 | 43.6 | 0 | 0 | 0 | 113.7 | D123 L127 | D123-H125 PolarHBondContact O-N 3.21Å; D123-H125 VanDerWaalsContact O-N 3.07Å; H125-L127 VanDerWaalsContact C-N 3.31Å |
| 126 | L | 90.8 | Very high | 87.5 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -79.5 | -14.3 | 174.7 | -59.6 | 179.5 | 0 | 0 | 0 | 112.7 | I80 F83 D123 L124 | I80-L126 HydrophobicContact CD1-CD1 4.11Å; I80-L126 HydrophobicContact CG1-CD1 4.13Å; I80-L126 HydrophobicContact CG2-CD1 4.27Å; F83-L126 HydrophobicContact CE2-CB 4Å; F83-L126 HydrophobicContact CE2-CD1 4.3Å; F83-L126 HydrophobicContact CZ-CB 4.09Å; D123-L126 HydrophobicContact CB-CD1 3.82Å; D123-L126 HydrophobicContact CB-CG 4.04Å; D123-L126 WeakPolarHBondContact O-CB 3.27Å; D123-L126 WeakPolarHBondContact O-CG 3.4Å; D123-L126 PolarHBondContact O-N 3.49Å; L124-L126 PolarHBondContact O-N 3.41Å; L124-L126 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 92.4 | Very high | 87.9 | Confident | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -81.2 | 157.9 | 179 | -61.7 | 174.3 | 0 | 0 | 0 | 110.9 | F83 M94 L124 H125 L131 Q132 I135 | F83-L127 HydrophobicContact CZ-CD2 4.15Å; M94-L127 HydrophobicContact CE-CD2 4.03Å; M94-L127 HydrophobicContact SD-CD2 3.94Å; L124-L127 HydrophobicContact CD2-CD1 3.91Å; L124-L127 WeakPolarHBondContact O-CB 3.49Å; L124-L127 PolarHBondContact O-N 2.93Å; H125-L127 VanDerWaalsContact C-N 3.31Å; L127-L131 HydrophobicContact CB-CD2 4.5Å; L127-L131 HydrophobicContact CD1-CD2 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.37Å; L127-Q132 HydrophobicContact CB-CG 4.03Å; L127-Q132 PolarHBondContact O-NE2 2.9Å; L127-I135 HydrophobicContact CD1-CD1 3.68Å |
| 128 | P | 93.1 | Very high | 87.9 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | trans | -53.8 | 140.2 | 169 | -26.9 | 37 | 0 | 0 | 0 | 112 | M94 D130 L131 Q132 | M94-P128 HydrophobicContact CG-CG 4.46Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.11Å; P128-D130 PolarHBondContact O-N 3.25Å; P128-L131 HydrophobicContact CB-CB 4.43Å; P128-L131 WeakPolarHBondContact O-CB 3.16Å; P128-L131 PolarHBondContact O-N 2.98Å; P128-Q132 PolarHBondContact O-N 3.46Å | ||
| 129 | L | 90.9 | Very high | 87.9 | Confident | 104 Ų | 104 | 44 Ų | 44 | 55% | 0.545 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.1 | -42.9 | -172.9 | -177.4 | 63.8 | 0 | 0 | 0 | 112.4 | L131 Q132 E133 L294 | L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.46Å; L129-Q132 WeakPolarHBondContact O-CB 3.37Å; L129-Q132 PolarHBondContact O-N 2.97Å; L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.19Å; L129-L294 HydrophobicContact CD1-CD2 4.09Å |
| 130 | D | 91.6 | Very high | 87.6 | Confident | 70 Ų | 70 | 44.1 Ų | 44.1 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -37.2 | 177.2 | 64 | -51.4 | 0 | 0 | 0 | 112.6 | R98 P128 L134 | R98-D130 IonicContact CZ-OD2 2.61Å; R98-D130 VanDerWaalsContact CZ-OD2 3.28Å; R98-D130 IonicContact NE-OD2 3.29Å; R98-D130 PolarHBondContact NE-OD2 3.13Å; R98-D130 IonicContact NH2-OD1 2.74Å; R98-D130 PolarHBondContact NH2-OD1 3.44Å; R98-D130 IonicContact NH2-OD2 2.81Å; R98-D130 PolarHBondContact NH2-OD2 3.35Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.11Å; P128-D130 PolarHBondContact O-N 3.25Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.24Å |
| 131 | L | 89.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.1 | -34.9 | 174.8 | -177.7 | 58.7 | 0 | 0 | 0 | 111.9 | M94 A97 R98 F101 L127 P128 L129 E133 L134 I135 | M94-L131 HydrophobicContact SD-CD2 3.72Å; A97-L131 HydrophobicContact CB-CD1 3.98Å; A97-L131 HydrophobicContact CB-CD2 3.98Å; R98-L131 HydrophobicContact CG-CD1 4.14Å; F101-L131 HydrophobicContact CD2-CD1 4.03Å; L127-L131 HydrophobicContact CB-CD2 4.5Å; L127-L131 HydrophobicContact CD1-CD2 4.41Å; L127-L131 HydrophobicContact CD2-CD2 4.37Å; P128-L131 HydrophobicContact CB-CB 4.43Å; P128-L131 WeakPolarHBondContact O-CB 3.16Å; P128-L131 PolarHBondContact O-N 2.98Å; L129-L131 VanDerWaalsContact C-N 3.27Å; L129-L131 PolarHBondContact O-N 3.46Å; L131-E133 VanDerWaalsContact C-N 3.33Å; L131-L134 PolarHBondContact O-N 3.02Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.33Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.41Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.2Å; L131-I135 PolarHBondContact O-N 2.9Å |
| 132 | Q | 88.2 | Confident | 86.9 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -43.5 | 173.7 | -64.3 | -179.3 | 51.5 | 0 | 0 | 111.2 | L124 L127 P128 L129 I135 A136 L294 | L124-Q132 VanDerWaalsContact O-CG 3.25Å; L124-Q132 WeakPolarHBondContact O-CG 3.18Å; L124-Q132 PolarHBondContact O-NE2 3.07Å; L127-Q132 HydrophobicContact CB-CG 4.03Å; L127-Q132 PolarHBondContact O-NE2 2.9Å; P128-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 WeakPolarHBondContact O-CB 3.37Å; L129-Q132 PolarHBondContact O-N 2.97Å; Q132-I135 PolarHBondContact O-N 2.87Å; Q132-A136 WeakPolarHBondContact O-CB 3.22Å; Q132-A136 PolarHBondContact O-N 3Å; Q132-L294 HydrophobicContact CB-CD1 4.28Å |
| 133 | E | 88.2 | Confident | 86.1 | Confident | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.3 | -66.5 | 179.4 | -166.6 | 0 | 0 | 111.8 | L129 L131 I135 A136 Q137 S298 | L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.19Å; L131-E133 VanDerWaalsContact C-N 3.33Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.04Å; E133-A136 PolarHBondContact O-N 3.02Å; E133-A136 VanDerWaalsContact O-N 3.15Å; E133-Q137 WeakPolarHBondContact O-CG 3.08Å; E133-Q137 PolarHBondContact O-N 3.3Å; E133-S298 WeakPolarHBondContact OE2-CB 3.25Å; E133-S298 PolarHBondContact OE2-OG 3Å |
| 134 | L | 87.6 | Confident | 85 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 176.1 | -74.9 | 172.6 | 0 | 0 | 0 | 112.3 | R98 F101 D130 L131 A138 | R98-L134 HydrophobicContact CB-CD1 4.32Å; R98-L134 HydrophobicContact CG-CD1 4.27Å; F101-L134 HydrophobicContact CB-CB 4.19Å; D130-L134 WeakPolarHBondContact O-CG 3.41Å; D130-L134 PolarHBondContact O-N 3.24Å; L131-L134 PolarHBondContact O-N 3.02Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.1Å |
| 135 | I | 86 | Confident | 83.4 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 175.9 | -73.3 | 165.9 | 0 | 0 | 0 | 110.6 | F101 V120 L124 L127 L131 Q132 E133 Q137 A138 V139 | F101-I135 HydrophobicContact CD1-CG1 4.38Å; F101-I135 HydrophobicContact CD2-CG1 3.83Å; F101-I135 HydrophobicContact CE1-CG1 4.19Å; F101-I135 HydrophobicContact CE2-CD1 4.08Å; F101-I135 HydrophobicContact CE2-CG1 3.62Å; F101-I135 HydrophobicContact CG-CG1 4.23Å; F101-I135 HydrophobicContact CZ-CD1 4.48Å; F101-I135 HydrophobicContact CZ-CG1 3.82Å; V120-I135 HydrophobicContact CB-CG2 3.65Å; V120-I135 HydrophobicContact CG1-CD1 4.29Å; V120-I135 HydrophobicContact CG1-CG2 4.09Å; V120-I135 HydrophobicContact CG2-CG2 3.69Å; L124-I135 HydrophobicContact CD1-CG2 4.16Å; L127-I135 HydrophobicContact CD1-CD1 3.68Å; L131-I135 HydrophobicContact CD1-CD1 4.19Å; L131-I135 HydrophobicContact CD1-CG1 4.33Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 WeakPolarHBondContact O-CB 3.41Å; L131-I135 WeakPolarHBondContact O-CD1 3.38Å; L131-I135 VanDerWaalsContact O-CG1 3.27Å; L131-I135 WeakPolarHBondContact O-CG1 3.2Å; L131-I135 PolarHBondContact O-N 2.9Å; Q132-I135 PolarHBondContact O-N 2.87Å; E133-I135 VanDerWaalsContact C-N 3.32Å; E133-I135 PolarHBondContact O-N 3.04Å; I135-Q137 PolarHBondContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.45Å; I135-V139 HydrophobicContact CG2-CG2 4.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.33Å |
| 136 | A | 84.4 | Confident | 81.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q132 E133 A138 V139 Q140 L291 L294 | Q132-A136 WeakPolarHBondContact O-CB 3.22Å; Q132-A136 PolarHBondContact O-N 3Å; E133-A136 PolarHBondContact O-N 3.02Å; E133-A136 VanDerWaalsContact O-N 3.15Å; A136-A138 PolarHBondContact O-N 3.06Å; A136-V139 PolarHBondContact O-N 3.17Å; A136-Q140 VanDerWaalsContact O-CB 3.3Å; A136-Q140 WeakPolarHBondContact O-CB 3.47Å; A136-Q140 PolarHBondContact O-N 3.36Å; A136-L291 HydrophobicContact CB-CD1 3.78Å; A136-L294 HydrophobicContact CB-CB 3.99Å |
| 137 | Q | 84.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.271 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176 | -68.8 | 173.1 | 6 | 0 | 0 | 111.9 | M105 E133 I135 Q140 A141 | M105-Q137 HydrophobicContact CE-CB 3.84Å; M105-Q137 HydrophobicContact SD-CB 4.31Å; E133-Q137 WeakPolarHBondContact O-CG 3.08Å; E133-Q137 PolarHBondContact O-N 3.3Å; I135-Q137 PolarHBondContact O-N 3.1Å; Q137-Q140 PolarHBondContact O-N 3.13Å; Q137-A141 WeakPolarHBondContact O-CB 3.27Å; Q137-A141 PolarHBondContact O-N 3.4Å |
| 138 | A | 83.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F101 L104 M105 L134 I135 A136 Q140 T142 | F101-A138 HydrophobicContact CD1-CB 3.96Å; F101-A138 HydrophobicContact CE1-CB 4.47Å; L104-A138 HydrophobicContact CD2-CB 3.6Å; M105-A138 HydrophobicContact SD-CB 4.38Å; L134-A138 WeakPolarHBondContact O-CB 3.29Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-A138 VanDerWaalsContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 3.45Å; A136-A138 PolarHBondContact O-N 3.06Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-T142 PolarHBondContact O-N 3.17Å; A138-T142 PolarHBondContact O-OG1 3.28Å |
| 139 | V | 81.7 | Confident | 72.7 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | V120 I135 A136 T142 K143 L291 | V120-V139 HydrophobicContact CG2-CG2 4.21Å; I135-V139 HydrophobicContact CG2-CG2 4.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 3.33Å; A136-V139 PolarHBondContact O-N 3.17Å; V139-T142 PolarHBondContact O-N 3.29Å; V139-K143 WeakPolarHBondContact O-CB 3.45Å; V139-K143 PolarHBondContact O-N 3.01Å; V139-K143 VanDerWaalsContact O-N 3.14Å; V139-L291 HydrophobicContact CB-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD2 4.06Å |
| 140 | Q | 80.5 | Confident | 69.8 | Low | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 179.8 | -170.2 | 166 | 9.2 | 0 | 0 | 112.6 | A136 Q137 A138 T142 K143 | A136-Q140 VanDerWaalsContact O-CB 3.3Å; A136-Q140 WeakPolarHBondContact O-CB 3.47Å; A136-Q140 PolarHBondContact O-N 3.36Å; Q137-Q140 PolarHBondContact O-N 3.13Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.27Å; Q140-K143 HydrophobicContact CG-CD 4.42Å; Q140-K143 WeakPolarHBondContact O-CG 3.44Å |
| 141 | A | 81.6 | Confident | 67.5 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -28.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q137 | Q137-A141 WeakPolarHBondContact O-CB 3.27Å; Q137-A141 PolarHBondContact O-N 3.4Å |
| 142 | T | 76.8 | Confident | 66.1 | Low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -109.2 | 4.6 | -173.4 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | L111 V116 C117 I118 A138 V139 Q140 N144 Y145 | L111-T142 HydrophobicContact CD1-CG2 4.08Å; V116-T142 WeakPolarHBondContact O-CB 3.44Å; C117-T142 PolarHBondContact SG-O 3.31Å; I118-T142 PolarHBondContact N-OG1 2.93Å; I118-T142 PolarHBondContact O-OG1 3.47Å; A138-T142 PolarHBondContact O-N 3.17Å; A138-T142 PolarHBondContact O-OG1 3.28Å; V139-T142 PolarHBondContact O-N 3.29Å; Q140-T142 VanDerWaalsContact C-N 3.26Å; Q140-T142 PolarHBondContact O-N 3.27Å; T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 3.45Å; T142-Y145 WeakPolarHBondContact O-CD2 3.25Å |
| 143 | K | 71.9 | Confident | 64.9 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -67.2 | -25.1 | -171 | 75.3 | -174.6 | 179.4 | 173.5 | 0 | 115.6 | V139 Q140 Y145 | V139-K143 WeakPolarHBondContact O-CB 3.45Å; V139-K143 PolarHBondContact O-N 3.01Å; V139-K143 VanDerWaalsContact O-N 3.14Å; Q140-K143 HydrophobicContact CG-CD 4.42Å; Q140-K143 WeakPolarHBondContact O-CG 3.44Å; K143-Y145 VanDerWaalsContact C-N 3.26Å; K143-Y145 PolarHBondContact O-N 3.05Å |
| 144 | N | 63.1 | Low | 63.4 | Low | 129 Ų | 129 | 72.4 Ų | 72.4 | 69% | 0.69 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -80.2 | -1.9 | -168.4 | -69.6 | -16.8 | 0 | 0 | 0 | 114.1 | T142 | T142-N144 VanDerWaalsContact C-N 3.34Å; T142-N144 PolarHBondContact O-N 3.45Å |
| 145 | Y | 56.4 | Low | 62.8 | Low | 93 Ų | 93 | 72.4 Ų | 72.4 | 37% | 0.365 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -97.7 | 23.7 | -174.7 | -54.8 | -65.1 | 0 | 0 | 0 | 113.9 | Q112 T142 K143 | Q112-Y145 WeakPolarHBondContact CG-OH 3.34Å; T142-Y145 WeakPolarHBondContact O-CD2 3.25Å; K143-Y145 VanDerWaalsContact C-N 3.26Å; K143-Y145 PolarHBondContact O-N 3.05Å |
| 146 | N | 47.3 | Very low | 62.3 | Low | 53 Ų | 53 | 73.5 Ų | 73.5 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | trans | -122 | 107.2 | -171.2 | -150.9 | 56.2 | 0 | 0 | 0 | 111.4 | R119 | R119-N146 PolarHBondContact NH1-ND2 3.23Å; R119-N146 VanDerWaalsContact NH1-ND2 3.14Å; R119-N146 PolarHBondContact NH1-OD1 3.3Å | ||
| 147 | N | 31 | Very low | 61.8 | Low | 150 Ų | 150 | 75.7 Ų | 75.7 | 80% | 0.802 | 40% | 0.402 | S | S | * | . | trans | -115.9 | 103.3 | 166.9 | -75.9 | -21.9 | 0 | 0 | 0 | 106.4 | ||||
| 148 | D | 30.6 | Very low | 61.5 | Low | 132 Ų | 132 | 75 Ų | 75 | 71% | 0.706 | 40% | 0.4 | S | S | * | . | trans | -172 | 131.3 | 155.9 | -87.2 | -28.9 | 0 | 0 | 0 | 110.2 | ||||
| 149 | I | 30.8 | Very low | 61.3 | Low | 170 Ų | 170 | 80.9 Ų | 80.9 | 87% | 0.872 | 42% | 0.423 | S | S | * | . | trans | -117.2 | 132.1 | 179 | -63.3 | 171.9 | 0 | 0 | 0 | 107.7 | ||||
| 150 | S | 31.1 | Very low | 61.5 | Low | 76 Ų | 76 | 80.4 Ų | 80.4 | 53% | 0.531 | 42% | 0.42 | S | S | . | . | trans | -152.5 | 173.1 | 167 | 72.8 | 0 | 0 | 0 | 0 | 114 | K156 | S150-K156 WeakPolarHBondContact O-CE 3.46Š| ||
| 151 | E | 42 | Very low | 61.5 | Low | 156 Ų | 156 | 78.5 Ų | 78.5 | 73% | 0.729 | 41% | 0.412 | S | S | * | . | trans | -105.6 | 171.8 | -149.9 | -132.3 | -176.7 | 175.4 | 0 | 0 | 116.6 | ||||
| 152 | S | 60.6 | Low | 61.6 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | trans | 86.3 | 130.3 | -170.3 | 171.6 | 0 | 0 | 0 | 0 | 116.5 | D155 K156 | S152-D155 WeakPolarHBondContact CB-OD2 3.45Å; S152-D155 PolarHBondContact OG-OD2 3.33Å; S152-K156 WeakPolarHBondContact O-CB 3.42Å; S152-K156 WeakPolarHBondContact O-CG 3.46Å; S152-K156 PolarHBondContact O-N 3.17Å | ||
| 153 | L | 63 | Low | 62.1 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | -170.5 | 177.6 | 63.1 | 0 | 0 | 0 | 113.6 | K156 C157 V276 F279 L280 | L153-K156 PolarHBondContact O-N 2.92Å; L153-C157 PolarHBondContact O-N 2.84Å; L153-C157 PolarHBondContact O-SG 2.76Å; L153-V276 HydrophobicContact CD1-CG1 4.24Å; L153-V276 HydrophobicContact CD2-CG2 4.37Å; L153-F279 HydrophobicContact CD1-CD1 3.54Å; L153-F279 HydrophobicContact CD1-CE1 3.63Å; L153-L280 HydrophobicContact CD1-CD2 3.95Å; L153-L280 HydrophobicContact CD1-CG 4.31Å |
| 154 | L | 57.9 | Low | 63 | Low | 86 Ų | 86 | 79.7 Ų | 79.7 | 45% | 0.45 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 179.1 | -171.7 | 156.7 | 0 | 0 | 0 | 110 | K156 C157 L158 W184 | L154-K156 PolarHBondContact O-N 3.39Å; L154-C157 WeakPolarHBondContact O-CA 3.47Å; L154-C157 WeakPolarHBondContact O-CB 3.29Å; L154-C157 PolarHBondContact O-N 2.87Å; L154-L158 HydrophobicContact CD2-CD1 4.14Å; L154-L158 HydrophobicContact CD2-CD2 4.2Å; L154-L158 HydrophobicContact CD2-CG 4.1Å; L154-L158 PolarHBondContact O-N 2.97Å; L154-L158 VanDerWaalsContact O-N 3.11Å; L154-W184 HydrophobicContact CD1-CH2 4.05Å; L154-W184 HydrophobicContact CD1-CZ3 4.24Å; L154-W184 HydrophobicContact CD2-CD2 4.04Å; L154-W184 HydrophobicContact CD2-CE3 4.25Å; L154-W184 HydrophobicContact CD2-CH2 4.04Å; L154-W184 HydrophobicContact CD2-CZ2 3.82Å; L154-W184 HydrophobicContact CD2-CZ3 4.25Å |
| 155 | D | 75.4 | Confident | 64.4 | Low | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.171 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.6 | -41.2 | 173.3 | -65.5 | -57.6 | 0 | 0 | 0 | 111.4 | S152 C157 L158 N161 H165 W184 | S152-D155 WeakPolarHBondContact CB-OD2 3.45Å; S152-D155 PolarHBondContact OG-OD2 3.33Å; D155-C157 VanDerWaalsContact C-N 3.3Å; D155-C157 PolarHBondContact O-N 2.99Å; D155-L158 PolarHBondContact O-N 3.39Å; D155-N161 WeakPolarHBondContact O-CB 3.49Å; D155-H165 IonicContact OD1-CE1 3.69Å; D155-H165 IonicContact OD1-NE2 2.77Å; D155-H165 PolarHBondContact OD1-NE2 2.9Å; D155-W184 PolarHBondContact OD1-NE1 2.73Å |
| 156 | K | 75.3 | Confident | 66.4 | Low | 29 Ų | 29 | 72.9 Ų | 72.9 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.4 | -21.1 | 176.3 | -73.6 | 175.8 | -177 | 179.7 | 0 | 115 | S150 S152 L153 L154 N161 L280 R287 | S150-K156 WeakPolarHBondContact O-CE 3.46Å; S152-K156 WeakPolarHBondContact O-CB 3.42Å; S152-K156 WeakPolarHBondContact O-CG 3.46Å; S152-K156 PolarHBondContact O-N 3.17Å; L153-K156 PolarHBondContact O-N 2.92Å; L154-K156 PolarHBondContact O-N 3.39Å; K156-N161 WeakPolarHBondContact O-CB 3.43Å; K156-N161 PolarHBondContact O-ND2 3.07Å; K156-L280 HydrophobicContact CB-CD2 3.48Å; K156-L280 VanDerWaalsContact CB-CD2 3.48Å; K156-L280 HydrophobicContact CD-CD1 3.36Å; K156-L280 HydrophobicContact CD-CD2 3.74Å; K156-L280 HydrophobicContact CD-CG 4.18Å; K156-L280 HydrophobicContact CG-CD2 4.23Å; K156-R287 PolarHBondContact O-NH1 3.14Å |
| 157 | C | 72.9 | Confident | 68.8 | Low | 49 Ų | 49 | 71.5 Ų | 71.5 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -86.9 | -20.7 | 175.9 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | L153 L154 D155 F279 L283 R287 | L153-C157 PolarHBondContact O-N 2.84Å; L153-C157 PolarHBondContact O-SG 2.76Å; L154-C157 WeakPolarHBondContact O-CA 3.47Å; L154-C157 WeakPolarHBondContact O-CB 3.29Å; L154-C157 PolarHBondContact O-N 2.87Å; D155-C157 VanDerWaalsContact C-N 3.3Å; D155-C157 PolarHBondContact O-N 2.99Å; C157-F279 VanDerWaalsContact SG-CE1 3.54Å; C157-L283 HydrophobicContact CB-CD2 4.47Å; C157-R287 PolarHBondContact O-NH2 3.41Å |
| 158 | L | 78.1 | Confident | 72 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -63 | 157.4 | 175 | -63.8 | 175.5 | 0 | 0 | 0 | 110.9 | L154 D155 T160 N161 W184 Q185 R287 | L154-L158 HydrophobicContact CD2-CD1 4.14Å; L154-L158 HydrophobicContact CD2-CD2 4.2Å; L154-L158 HydrophobicContact CD2-CG 4.1Å; L154-L158 PolarHBondContact O-N 2.97Å; L154-L158 VanDerWaalsContact O-N 3.11Å; D155-L158 PolarHBondContact O-N 3.39Å; L158-T160 PolarHBondContact O-N 3.49Å; L158-N161 WeakPolarHBondContact O-CB 3.22Å; L158-N161 PolarHBondContact O-N 3.32Å; L158-W184 HydrophobicContact CD1-CB 4.48Å; L158-W184 HydrophobicContact CD1-CG 4.09Å; L158-Q185 HydrophobicContact CD1-CG 4.48Å; L158-R287 PolarHBondContact O-NH2 3.37Å; L158-R287 VanDerWaalsContact O-NH2 3.13Å |
| 159 | Y | 79.1 | Confident | 75.2 | Confident | 123 Ų | 123 | 58.2 Ų | 58.2 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28 | 173.3 | -60.6 | -45.4 | 0 | 0 | 0 | 112.2 | L121 D123 N161 | L121-Y159 WeakPolarHBondContact CD2-O 3.43Å; D123-Y159 PolarHBondContact OD1-OH 2.8Å; Y159-N161 VanDerWaalsContact C-N 3.26Å; Y159-N161 PolarHBondContact O-N 2.95Å |
| 160 | T | 85.9 | Confident | 78.5 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 14.6 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 113.4 | L121 L158 R162 S163 L182 Q185 | L121-T160 HydrophobicContact CD1-CG2 3.59Å; L158-T160 PolarHBondContact O-N 3.49Å; T160-R162 PolarHBondContact O-N 3.36Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 VanDerWaalsContact O-O 3.11Å; T160-L182 HydrophobicContact CG2-CD2 3.91Å; T160-Q185 PolarHBondContact OG1-NE2 3.5Å |
| 161 | N | 81.2 | Confident | 81.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -16.9 | -171.6 | 70.5 | -31.4 | 0 | 0 | 0 | 115.9 | D155 K156 L158 Y159 S163 E284 R287 | D155-N161 WeakPolarHBondContact O-CB 3.49Å; K156-N161 WeakPolarHBondContact O-CB 3.43Å; K156-N161 PolarHBondContact O-ND2 3.07Å; L158-N161 WeakPolarHBondContact O-CB 3.22Å; L158-N161 PolarHBondContact O-N 3.32Å; Y159-N161 VanDerWaalsContact C-N 3.26Å; Y159-N161 PolarHBondContact O-N 2.95Å; N161-S163 VanDerWaalsContact C-N 3.34Å; N161-E284 PolarHBondContact ND2-OE1 3.47Å; N161-R287 PolarHBondContact ND2-NH1 3.45Å |
| 162 | R | 83.7 | Confident | 84.4 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 39% | 0.392 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.3 | 176.9 | -65.1 | 175.6 | -171.3 | 178.8 | 2.2 | 112.9 | T160 E284 | T160-R162 PolarHBondContact O-N 3.36Å; R162-E284 IonicContact CZ-OE2 2.77Å; R162-E284 IonicContact NE-OE2 3.83Å; R162-E284 IonicContact NH2-OE2 2.76Å; R162-E284 PolarHBondContact NH2-OE2 2.99Å |
| 163 | S | 86.1 | Confident | 86.1 | Confident | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -127.7 | 132.6 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | E72 R119 T160 N161 | E72-S163 WeakPolarHBondContact OE1-CA 3.42Å; E72-S163 WeakPolarHBondContact OE1-CB 3.29Å; E72-S163 PolarHBondContact OE1-OG 3.48Å; R119-S163 PolarHBondContact NH2-OG 2.83Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.41Å; T160-S163 VanDerWaalsContact O-O 3.11Å; N161-S163 VanDerWaalsContact C-N 3.34Å |
| 164 | P | 90.5 | Very high | 87.5 | Confident | 58 Ų | 58 | 35.4 Ų | 35.4 | 38% | 0.377 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 157.8 | 159.6 | 26.2 | -37.2 | 0 | 0 | 0 | 111.2 | H28 E72 | H28-P164 PolarHBondContact CE1-O 2.8Å; H28-P164 PolarHBondContact ND1-O 2.81Å; E72-P164 WeakPolarHBondContact OE2-CD 3.29Å; E72-P164 WeakPolarHBondContact OE2-CG 3.19Å |
| 165 | H | 94 | Very high | 89.3 | Confident | 78 Ų | 78 | 33.8 Ų | 33.8 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -58 | 140.7 | 171 | -69.7 | -178.7 | 0 | 0 | 0 | 110.6 | D155 D167 Q185 | D155-H165 IonicContact OD1-CE1 3.69Å; D155-H165 IonicContact OD1-NE2 2.77Å; D155-H165 PolarHBondContact OD1-NE2 2.9Å; H165-D167 PolarHBondContact O-N 2.97Å; H165-Q185 WeakPolarHBondContact CB-O 3.46Å |
| 166 | P | 97.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 140.5 | 177.8 | -23 | 32 | 0 | 0 | 0 | 111.8 | A30 L182 T186 S189 | A30-P166 HydrophobicContact CB-CB 3.9Å; A30-P166 HydrophobicContact CB-CG 3.8Å; P166-L182 HydrophobicContact CG-CD1 3.98Å; P166-T186 HydrophobicContact CB-CG2 4.34Å; P166-T186 HydrophobicContact CG-CG2 3.99Å; P166-S189 VanDerWaalsContact O-CB 3.32Å; P166-S189 WeakPolarHBondContact O-CB 3.33Å; P166-S189 PolarHBondContact O-OG 3.13Å |
| 167 | D | 98.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -76.3 | -34.9 | 169.6 | -73.3 | -61.9 | 0 | 0 | 0 | 111.2 | P26 K27 H28 H165 C190 F213 R224 | P26-D167 HydrophobicContact CB-CB 3.63Å; K27-D167 PolarHBondContact N-OD2 2.94Å; H28-D167 PolarHBondContact N-OD2 2.75Å; H28-D167 PolarHBondContact O-N 3.49Å; H165-D167 PolarHBondContact O-N 2.97Å; D167-C190 PolarHBondContact O-N 3.19Å; D167-F213 HydrophobicContact CB-CD2 4.15Å; D167-F213 HydrophobicContact CB-CE2 3.67Å; D167-F213 HydrophobicContact CB-CZ 4.19Å; D167-R224 IonicContact OD1-NH1 2.97Å |
| 168 | I | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.6 | -179 | -43 | -176.4 | 0 | 0 | 0 | 109.2 | P26 I29 A30 I170 C190 V192 I210 F213 | P26-I168 HydrophobicContact CB-CD1 3.86Å; P26-I168 HydrophobicContact CB-CG1 3.92Å; P26-I168 HydrophobicContact CG-CD1 3.75Å; P26-I168 HydrophobicContact CG-CG1 4.37Å; I29-I168 HydrophobicContact CD1-CD1 4.08Å; I29-I168 HydrophobicContact CG1-CB 4.25Å; I29-I168 HydrophobicContact CG1-CD1 4.24Å; I29-I168 HydrophobicContact CG1-CG1 4.31Å; I29-I168 HydrophobicContact CG2-CB 4.3Å; A30-I168 PolarHBondContact N-O 3.35Å; I168-I170 HydrophobicContact CG2-CD1 4.19Å; I168-I170 HydrophobicContact CG2-CG1 3.64Å; I168-C190 CarbonylContact C-O 3.53Å; I168-C190 WeakPolarHBondContact CA-O 3.29Å; I168-V192 HydrophobicContact CG2-CB 4.49Å; I168-V192 HydrophobicContact CG2-CG2 3.85Å; I168-I210 HydrophobicContact CD1-CG1 4.32Å; I168-F213 HydrophobicContact CD1-CB 3.4Å; I168-F213 VanDerWaalsContact CD1-CB 3.4Å; I168-F213 HydrophobicContact CD1-CD2 4.42Å; I168-F213 HydrophobicContact CD1-CG 3.89Å; I168-F213 HydrophobicContact CG1-CB 3.73Å; I168-F213 HydrophobicContact CG1-CD2 3.95Å; I168-F213 HydrophobicContact CG1-CG 3.94Å |
| 169 | L | 98.7 | Very high | 93 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.8 | 163.2 | 176.8 | 64.9 | 0 | 0 | 0 | 109.1 | A30 I32 L178 F181 T186 C190 L191 V192 | A30-L169 HydrophobicContact CB-CD1 3.64Å; A30-L169 WeakPolarHBondContact O-CA 3.43Å; I32-L169 HydrophobicContact CD1-CD1 4.42Å; I32-L169 HydrophobicContact CD1-CD2 4.48Å; I32-L169 HydrophobicContact CG1-CD1 4.22Å; L169-L178 HydrophobicContact CD2-CD2 3.6Å; L169-F181 HydrophobicContact CD1-CD1 3.76Å; L169-F181 HydrophobicContact CD1-CE1 3.79Å; L169-T186 HydrophobicContact CB-CG2 4.01Å; L169-T186 HydrophobicContact CD2-CG2 4.02Å; L169-T186 HydrophobicContact CG-CG2 4.4Å; L169-C190 PolarHBondContact N-O 3.42Å; L169-L191 HydrophobicContact CB-CD2 3.87Å; L169-L191 HydrophobicContact CD2-CD2 4.01Å; L169-L191 HydrophobicContact CG-CD2 4.44Å; L169-V192 PolarHBondContact O-N 3.33Å |
| 170 | I | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.2 | -179.8 | -57 | 174.1 | 0 | 0 | 0 | 109.2 | I29 A30 F31 I32 I168 V192 Y201 L206 A209 | I29-I170 HydrophobicContact CG2-CD1 3.72Å; I29-I170 HydrophobicContact CG2-CG1 4.19Å; A30-I170 PolarHBondContact O-N 2.79Å; F31-I170 CarbonylContact C-O 3.58Å; F31-I170 WeakPolarHBondContact CA-O 3.49Å; F31-I170 HydrophobicContact CD1-CB 3.83Å; F31-I170 HydrophobicContact CD1-CD1 4.16Å; F31-I170 HydrophobicContact CD1-CG2 4.09Å; F31-I170 HydrophobicContact CE1-CB 4.08Å; F31-I170 HydrophobicContact CE1-CD1 3.51Å; F31-I170 HydrophobicContact CE1-CG1 4.31Å; F31-I170 HydrophobicContact CE1-CG2 4.26Å; F31-I170 HydrophobicContact CZ-CD1 3.91Å; I32-I170 PolarHBondContact N-O 3.49Å; I168-I170 HydrophobicContact CG2-CD1 4.19Å; I168-I170 HydrophobicContact CG2-CG1 3.64Å; I170-V192 CarbonylContact C-O 3.3Å; I170-V192 WeakPolarHBondContact CA-O 3.41Å; I170-V192 HydrophobicContact CG1-CB 4.31Å; I170-Y201 HydrophobicContact CG2-CE2 4.41Å; I170-L206 HydrophobicContact CD1-CD1 4.21Å; I170-A209 HydrophobicContact CD1-CB 3.41Å; I170-A209 VanDerWaalsContact CD1-CB 3.41Å; I170-A209 HydrophobicContact CG1-CB 3.92Å |
| 171 | R | 98.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.1 | 169.1 | 176.1 | 168.7 | -174.2 | 159.6 | 2.3 | 111 | I32 D34 E175 R177 S179 V192 F193 Q194 | I32-R171 HydrophobicContact CB-CB 3.98Å; I32-R171 HydrophobicContact CB-CG 3.94Å; I32-R171 HydrophobicContact CD1-CB 4.26Å; I32-R171 HydrophobicContact CD1-CG 4.45Å; I32-R171 HydrophobicContact CG2-CG 4.03Å; D34-R171 IonicContact OD2-CZ 3.47Å; D34-R171 IonicContact OD2-NE 3.93Å; D34-R171 IonicContact OD2-NH2 3.94Å; D34-R171 PolarHBondContact OD2-NH2 2.94Å; R171-E175 WeakPolarHBondContact CD-O 3.39Å; R171-R177 WeakPolarHBondContact CD-O 3.48Å; R171-R177 PolarHBondContact NH1-O 3.26Å; R171-S179 PolarHBondContact NH1-OG 3.46Å; R171-V192 PolarHBondContact N-O 3.38Å; R171-F193 HydrophobicContact CB-CD1 3.81Å; R171-F193 HydrophobicContact CB-CE1 4.1Å; R171-F193 HydrophobicContact CG-CD1 4.33Å; R171-Q194 PolarHBondContact O-N 3.09Å |
| 172 | T | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | trans | -84.7 | 174.8 | 174.8 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | I32 D34 Q194 V196 W198 Y201 | I32-T172 PolarHBondContact O-N 3.46Å; I32-T172 PolarHBondContact O-OG1 3.37Å; D34-T172 PolarHBondContact N-OG1 2.87Å; D34-T172 PolarHBondContact O-OG1 3.12Å; T172-Q194 CarbonylContact C-O 3.59Å; T172-Q194 VanDerWaalsContact C-O 3.3Å; T172-Q194 WeakPolarHBondContact CA-O 3.36Å; T172-V196 VanDerWaalsContact CB-O 3.24Å; T172-V196 WeakPolarHBondContact CB-O 3.43Å; T172-V196 HydrophobicContact CG2-CG1 4.16Å; T172-W198 HydrophobicContact CG2-CE3 3.88Å; T172-Y201 HydrophobicContact CG2-CD2 3.53Å; T172-Y201 HydrophobicContact CG2-CE2 3.71Å | ||
| 173 | S | 96.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.5 | 173.9 | 78.1 | 0 | 0 | 0 | 0 | 117.9 | D34 R38 E175 Q194 V196 | D34-S173 WeakPolarHBondContact CB-OG 3.32Å; D34-S173 PolarHBondContact OD2-OG 3.08Å; R38-S173 VanDerWaalsContact CZ-CB 3.49Å; R38-S173 PolarHBondContact NH1-O 2.87Å; R38-S173 PolarHBondContact NH2-OG 3.45Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 WeakPolarHBondContact OG-CG 3.25Å; S173-Q194 PolarHBondContact N-O 3.49Å; S173-V196 WeakPolarHBondContact CA-O 3.28Å; S173-V196 PolarHBondContact N-O 3.48Å |
| 174 | G | 92.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 46 Ų | 46 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q194 | G174-Q194 PolarHBondContact N-O 3.34Š|
| 175 | E | 96.1 | Very high | 95.5 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | trans | -78 | 128.8 | 176.5 | -55 | -66 | 145.2 | 0 | 0 | 110.7 | R38 R171 S173 R177 F193 | R38-E175 IonicContact CZ-OE1 3.76Å; R38-E175 IonicContact NH1-OE1 3.96Å; R38-E175 PolarHBondContact NH1-OE1 2.98Å; R38-E175 IonicContact NH2-OE1 3.53Å; R171-E175 WeakPolarHBondContact CD-O 3.39Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 2.93Å; S173-E175 WeakPolarHBondContact OG-CG 3.25Å; E175-R177 PolarHBondContact O-N 3.29Å; E175-R177 IonicContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NH1 3.68Å; E175-R177 PolarHBondContact OE2-NH1 3.31Å; E175-R177 IonicContact OE2-NH2 3.96Å; E175-R177 PolarHBondContact OE2-NH2 2.96Å; E175-F193 WeakPolarHBondContact O-CD1 3.15Å | ||
| 176 | V | 96.9 | Very high | 95.6 | Very high | 114 Ų | 114 | 40.7 Ų | 40.7 | 69% | 0.691 | 21% | 0.214 | S | C | * | . | trans | -102.3 | 52.6 | -175.9 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | F193 | V176-F193 HydrophobicContact CG1-CB 4.27Å; V176-F193 HydrophobicContact CG1-CG 4.24Å | ||
| 177 | R | 96.4 | Very high | 95.5 | Very high | 122 Ų | 122 | 44.3 Ų | 44.3 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -142.8 | 163.4 | 176.2 | 70.3 | -176.1 | 165.7 | -77.3 | -5.3 | 111.3 | R171 E175 | R171-R177 WeakPolarHBondContact CD-O 3.48Å; R171-R177 PolarHBondContact NH1-O 3.26Å; E175-R177 PolarHBondContact O-N 3.29Å; E175-R177 IonicContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NH1 3.68Å; E175-R177 PolarHBondContact OE2-NH1 3.31Å; E175-R177 IonicContact OE2-NH2 3.96Å; E175-R177 PolarHBondContact OE2-NH2 2.96Å |
| 178 | L | 93.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | trans | -90 | -19 | -179.8 | -57.6 | -172.8 | 0 | 0 | 0 | 114 | I32 L169 D180 F181 L183 L191 F193 | I32-L178 VanDerWaalsContact CD1-O 3.29Å; I32-L178 WeakPolarHBondContact CD1-O 3.45Å; L169-L178 HydrophobicContact CD2-CD2 3.6Å; L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 2.94Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 2.82Å; L178-L183 HydrophobicContact CB-CD2 3.84Å; L178-L183 HydrophobicContact CD1-CD2 3.81Å; L178-L183 HydrophobicContact CG-CD2 4.47Å; L178-L191 HydrophobicContact CD2-CD1 4.43Å; L178-L191 HydrophobicContact CD2-CD2 4.43Å; L178-F193 HydrophobicContact CD2-CE1 4.45Å; L178-F193 HydrophobicContact CD2-CZ 4.1Å | ||
| 179 | S | 93.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.6 | 179.4 | -74.2 | 0 | 0 | 0 | 0 | 113.6 | R171 F181 | R171-S179 PolarHBondContact NH1-OG 3.46Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.08Å |
| 180 | D | 92.8 | Very high | 95.3 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 66% | 0.658 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 29.7 | 176.2 | -148.4 | 6.6 | 0 | 0 | 0 | 114.5 | L178 L183 | L178-D180 VanDerWaalsContact C-N 3.25Å; L178-D180 PolarHBondContact O-N 2.94Å; D180-L183 WeakPolarHBondContact OD1-CD1 3.33Å |
| 181 | F | 95.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -105.7 | 121 | -179.9 | -174.4 | -120.5 | 0 | 0 | 0 | 111.8 | A30 I32 T74 Y76 L169 L178 S179 L183 | A30-F181 HydrophobicContact CB-CE1 4.17Å; I32-F181 HydrophobicContact CD1-CB 4.06Å; I32-F181 HydrophobicContact CD1-CD1 3.9Å; I32-F181 HydrophobicContact CD1-CG 4.4Å; I32-F181 HydrophobicContact CG1-CB 4.26Å; I32-F181 HydrophobicContact CG1-CD1 3.41Å; I32-F181 VanDerWaalsContact CG1-CD1 3.41Å; I32-F181 HydrophobicContact CG1-CE1 3.99Å; I32-F181 HydrophobicContact CG1-CG 4.1Å; T74-F181 HydrophobicContact CG2-CZ 4.01Å; Y76-F181 VanDerWaalsContact CB-CE2 3.48Å; Y76-F181 HydrophobicContact CD1-CB 3.61Å; Y76-F181 HydrophobicContact CD1-CD1 4.38Å; Y76-F181 AromaticContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CD2 3.56Å; Y76-F181 HydrophobicContact CD1-CE2 4.31Å; Y76-F181 AromaticContact CD1-CG 3.6Å; Y76-F181 HydrophobicContact CD1-CG 3.6Å; Y76-F181 AromaticContact CD2-CD2 3.54Å; Y76-F181 HydrophobicContact CD2-CD2 3.54Å; Y76-F181 AromaticContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CE2 3.76Å; Y76-F181 HydrophobicContact CD2-CG 4.41Å; Y76-F181 HydrophobicContact CE1-CB 3.67Å; Y76-F181 AromaticContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CD2 3.99Å; Y76-F181 HydrophobicContact CE1-CG 4.08Å; Y76-F181 AromaticContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CD2 3.94Å; Y76-F181 HydrophobicContact CE2-CE2 4.5Å; Y76-F181 HydrophobicContact CG-CB 4.28Å; Y76-F181 HydrophobicContact CG-CD1 4.46Å; Y76-F181 AromaticContact CG-CD2 3.31Å; Y76-F181 HydrophobicContact CG-CD2 3.31Å; Y76-F181 AromaticContact CG-CE2 3.62Å; Y76-F181 HydrophobicContact CG-CE2 3.62Å; Y76-F181 AromaticContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CG 3.78Å; Y76-F181 HydrophobicContact CG-CZ 4.29Å; L169-F181 HydrophobicContact CD1-CD1 3.76Å; L169-F181 HydrophobicContact CD1-CE1 3.79Å; L178-F181 WeakPolarHBondContact O-CB 3.46Å; L178-F181 PolarHBondContact O-N 2.82Å; S179-F181 VanDerWaalsContact C-N 3.26Å; S179-F181 PolarHBondContact O-N 3.08Å; F181-L183 PolarHBondContact O-N 2.65Å; F181-L183 VanDerWaalsContact O-N 3.14Å |
| 182 | L | 94.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 49.9 | 37.2 | 174.8 | -59.5 | -179.2 | 0 | 0 | 0 | 114.4 | A30 T74 T160 P166 W184 Q185 T186 | A30-L182 HydrophobicContact CB-CD1 3.77Å; T74-L182 HydrophobicContact CG2-CD1 3.96Å; T160-L182 HydrophobicContact CG2-CD2 3.91Å; P166-L182 HydrophobicContact CG-CD1 3.98Å; L182-W184 VanDerWaalsContact C-N 3.26Å; L182-W184 PolarHBondContact O-N 3.32Å; L182-Q185 HydrophobicContact CB-CB 4.32Å; L182-Q185 HydrophobicContact CD2-CG 4.46Å; L182-Q185 PolarHBondContact O-N 3.27Å; L182-Q185 PolarHBondContact O-OE1 3.06Å; L182-T186 HydrophobicContact CB-CG2 3.78Å; L182-T186 HydrophobicContact CD1-CG2 4.47Å; L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 PolarHBondContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 3.27Å |
| 183 | L | 93.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 47% | 0.466 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.4 | -173.7 | -61.8 | -176.8 | 0 | 0 | 0 | 113.1 | L178 D180 F181 | L178-L183 HydrophobicContact CB-CD2 3.84Å; L178-L183 HydrophobicContact CD1-CD2 3.81Å; L178-L183 HydrophobicContact CG-CD2 4.47Å; D180-L183 WeakPolarHBondContact OD1-CD1 3.33Å; F181-L183 PolarHBondContact O-N 2.65Å; F181-L183 VanDerWaalsContact O-N 3.14Å |
| 184 | W | 89.6 | Confident | 95.4 | Very high | 115 Ų | 115 | 52.9 Ų | 52.9 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -53.3 | 178.3 | 178.6 | -83.1 | 0 | 0 | 0 | 111.3 | L154 D155 L158 L182 T186 S187 | L154-W184 HydrophobicContact CD1-CH2 4.05Å; L154-W184 HydrophobicContact CD1-CZ3 4.24Å; L154-W184 HydrophobicContact CD2-CD2 4.04Å; L154-W184 HydrophobicContact CD2-CE3 4.25Å; L154-W184 HydrophobicContact CD2-CH2 4.04Å; L154-W184 HydrophobicContact CD2-CZ2 3.82Å; L154-W184 HydrophobicContact CD2-CZ3 4.25Å; D155-W184 PolarHBondContact OD1-NE1 2.73Å; L158-W184 HydrophobicContact CD1-CB 4.48Å; L158-W184 HydrophobicContact CD1-CG 4.09Å; L182-W184 VanDerWaalsContact C-N 3.26Å; L182-W184 PolarHBondContact O-N 3.32Å; W184-T186 VanDerWaalsContact C-N 3.26Å; W184-T186 PolarHBondContact O-N 2.88Å; W184-S187 WeakPolarHBondContact O-CB 3.33Å; W184-S187 PolarHBondContact O-N 2.51Å; W184-S187 PolarHBondContact O-OG 3.2Å |
| 185 | Q | 93.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29.7 | -173.5 | -58.1 | 87.3 | -27.1 | 0 | 0 | 111.8 | L158 T160 H165 L182 | L158-Q185 HydrophobicContact CD1-CG 4.48Å; T160-Q185 PolarHBondContact OG1-NE2 3.5Å; H165-Q185 WeakPolarHBondContact CB-O 3.46Å; L182-Q185 HydrophobicContact CB-CB 4.32Å; L182-Q185 HydrophobicContact CD2-CG 4.46Å; L182-Q185 PolarHBondContact O-N 3.27Å; L182-Q185 PolarHBondContact O-OE1 3.06Å |
| 186 | T | 96 | Very high | 95.8 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.6 | -175 | 60.8 | 0 | 0 | 0 | 0 | 115 | P166 L169 L182 W184 H188 S189 | P166-T186 HydrophobicContact CB-CG2 4.34Å; P166-T186 HydrophobicContact CG-CG2 3.99Å; L169-T186 HydrophobicContact CB-CG2 4.01Å; L169-T186 HydrophobicContact CD2-CG2 4.02Å; L169-T186 HydrophobicContact CG-CG2 4.4Å; L182-T186 HydrophobicContact CB-CG2 3.78Å; L182-T186 HydrophobicContact CD1-CG2 4.47Å; L182-T186 WeakPolarHBondContact O-CB 3.41Å; L182-T186 PolarHBondContact O-N 3.15Å; L182-T186 PolarHBondContact O-OG1 3.27Å; W184-T186 VanDerWaalsContact C-N 3.26Å; W184-T186 PolarHBondContact O-N 2.88Å; T186-H188 PolarHBondContact O-N 3.31Å; T186-H188 VanDerWaalsContact O-N 3.12Å; T186-S189 VanDerWaalsContact CA-OG 3.27Å; T186-S189 WeakPolarHBondContact CA-OG 3.49Å; T186-S189 PolarHBondContact O-N 3.21Å |
| 187 | S | 94.8 | Very high | 95.9 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 54% | 0.538 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.7 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | W184 | W184-S187 WeakPolarHBondContact O-CB 3.33Å; W184-S187 PolarHBondContact O-N 2.51Å; W184-S187 PolarHBondContact O-OG 3.2Å |
| 188 | H | 95.3 | Very high | 96 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 30.6 | 178.9 | -62.5 | 79.8 | 0 | 0 | 0 | 112.1 | T186 R224 | T186-H188 PolarHBondContact O-N 3.31Å; T186-H188 VanDerWaalsContact O-N 3.12Å; H188-R224 HydrophobicContact CB-CG 3.59Å |
| 189 | S | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -94.6 | 159.5 | 175.1 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | P166 T186 L191 | P166-S189 VanDerWaalsContact O-CB 3.32Å; P166-S189 WeakPolarHBondContact O-CB 3.33Å; P166-S189 PolarHBondContact O-OG 3.13Å; T186-S189 VanDerWaalsContact CA-OG 3.27Å; T186-S189 WeakPolarHBondContact CA-OG 3.49Å; T186-S189 PolarHBondContact O-N 3.21Å; S189-L191 PolarHBondContact O-N 3.19Å |
| 190 | C | 98.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 118.5 | 167.3 | -175 | 0 | 0 | 0 | 0 | 109.5 | D167 I168 L169 F213 L220 | D167-C190 PolarHBondContact O-N 3.19Å; I168-C190 CarbonylContact C-O 3.53Å; I168-C190 WeakPolarHBondContact CA-O 3.29Å; L169-C190 PolarHBondContact N-O 3.42Å; C190-F213 HydrophobicContact CB-CB 4.26Å; C190-F213 HydrophobicContact CB-CD2 4.18Å; C190-L220 HydrophobicContact CB-CD1 3.82Å |
| 191 | L | 98.6 | Very high | 96.8 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 38% | 0.382 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 121.3 | 178.3 | -54.2 | -175.5 | 0 | 0 | 0 | 109.9 | L169 L178 S189 F193 | L169-L191 HydrophobicContact CB-CD2 3.87Å; L169-L191 HydrophobicContact CD2-CD2 4.01Å; L169-L191 HydrophobicContact CG-CD2 4.44Å; L178-L191 HydrophobicContact CD2-CD1 4.43Å; L178-L191 HydrophobicContact CD2-CD2 4.43Å; S189-L191 PolarHBondContact O-N 3.19Å; L191-F193 HydrophobicContact CB-CE2 4.04Å; L191-F193 HydrophobicContact CB-CZ 4.44Å |
| 192 | V | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.3 | -177.9 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | I168 L169 I170 R171 Q194 A209 Q212 | I168-V192 HydrophobicContact CG2-CB 4.49Å; I168-V192 HydrophobicContact CG2-CG2 3.85Å; L169-V192 PolarHBondContact O-N 3.33Å; I170-V192 CarbonylContact C-O 3.3Å; I170-V192 WeakPolarHBondContact CA-O 3.41Å; I170-V192 HydrophobicContact CG1-CB 4.31Å; R171-V192 PolarHBondContact N-O 3.38Å; V192-Q194 HydrophobicContact CG1-CG 3.97Å; V192-A209 HydrophobicContact CB-CB 4.33Å; V192-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CG2-CB 4.24Å; V192-Q212 HydrophobicContact CG2-CB 4.09Å |
| 193 | F | 98.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.5 | 177.2 | -59.5 | -77.9 | 0 | 0 | 0 | 109.6 | R171 E175 V176 L178 L191 | R171-F193 HydrophobicContact CB-CD1 3.81Å; R171-F193 HydrophobicContact CB-CE1 4.1Å; R171-F193 HydrophobicContact CG-CD1 4.33Å; E175-F193 WeakPolarHBondContact O-CD1 3.15Å; V176-F193 HydrophobicContact CG1-CB 4.27Å; V176-F193 HydrophobicContact CG1-CG 4.24Å; L178-F193 HydrophobicContact CD2-CE1 4.45Å; L178-F193 HydrophobicContact CD2-CZ 4.1Å; L191-F193 HydrophobicContact CB-CE2 4.04Å; L191-F193 HydrophobicContact CB-CZ 4.44Å |
| 194 | Q | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -118.6 | 137.9 | -177.5 | -70.7 | 168.2 | -46.7 | 0 | 0 | 111 | R171 T172 S173 G174 V192 V196 Y201 N205 E208 | R171-Q194 PolarHBondContact O-N 3.09Å; T172-Q194 CarbonylContact C-O 3.59Å; T172-Q194 VanDerWaalsContact C-O 3.3Å; T172-Q194 WeakPolarHBondContact CA-O 3.36Å; S173-Q194 PolarHBondContact N-O 3.49Å; G174-Q194 PolarHBondContact N-O 3.34Å; V192-Q194 HydrophobicContact CG1-CG 3.97Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 HydrophobicContact CB-CG1 4.02Å; Q194-V196 PolarHBondContact O-N 3.3Å; Q194-Y201 VanDerWaalsContact OE1-CE2 3.24Å; Q194-Y201 PolarHBondContact OE1-OH 2.89Å; Q194-N205 PolarHBondContact NE2-O 3.15Å; Q194-E208 PolarHBondContact NE2-OE2 3.41Å | ||
| 195 | P | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 36.5 Ų | 36.5 | 71% | 0.714 | 20% | 0.195 | S | C | * | . | trans | -71 | -20.7 | -177.5 | 27.8 | -34.4 | 0 | 0 | 0 | 113.9 | ||||
| 196 | V | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 17% | 0.17 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -55.5 | 138.5 | -179.7 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | T172 S173 Q194 E200 Y201 | T172-V196 VanDerWaalsContact CB-O 3.24Å; T172-V196 WeakPolarHBondContact CB-O 3.43Å; T172-V196 HydrophobicContact CG2-CG1 4.16Å; S173-V196 WeakPolarHBondContact CA-O 3.28Å; S173-V196 PolarHBondContact N-O 3.48Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 HydrophobicContact CB-CG1 4.02Å; Q194-V196 PolarHBondContact O-N 3.3Å; V196-E200 HydrophobicContact CG2-CB 3.96Å; V196-Y201 HydrophobicContact CG1-CD2 3.59Å; V196-Y201 HydrophobicContact CG1-CE2 3.98Å |
| 197 | L | 98.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.131 | 20% | 0.196 | C | C | . | . | trans | -75.4 | 143.6 | 173.9 | -58.8 | 178.2 | 0 | 0 | 0 | 109.8 | R38 K42 E200 Y201 | R38-L197 HydrophobicContact CB-CD1 4.12Å; R38-L197 HydrophobicContact CB-CD2 3.95Å; K42-L197 HydrophobicContact CD-CD1 4.31Å; L197-E200 HydrophobicContact CB-CG 4.4Å; L197-E200 WeakPolarHBondContact O-CA 3.45Å; L197-E200 WeakPolarHBondContact O-CB 3.37Å; L197-E200 PolarHBondContact O-N 3.38Å; L197-Y201 PolarHBondContact O-N 3.36Å | ||
| 198 | W | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -51 | -49.4 | -173.7 | 174.2 | -107 | 0 | 0 | 0 | 114.4 | F31 M33 D34 G54 K57 L58 T61 T172 E200 Y201 | F31-W198 HydrophobicContact CB-CZ3 4.41Å; F31-W198 HydrophobicContact CD1-CH2 4.18Å; F31-W198 AromaticContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CD1-CZ3 3.75Å; F31-W198 HydrophobicContact CE1-CZ3 4.33Å; F31-W198 HydrophobicContact CG-CH2 4.37Å; F31-W198 HydrophobicContact CG-CZ3 4.28Å; M33-W198 HydrophobicContact CB-CB 4.42Å; M33-W198 HydrophobicContact CB-CD2 3.56Å; M33-W198 HydrophobicContact CB-CE3 4.08Å; M33-W198 HydrophobicContact CB-CG 3.69Å; M33-W198 HydrophobicContact CB-CZ2 4.27Å; M33-W198 HydrophobicContact CG-CD2 3.66Å; M33-W198 VanDerWaalsContact CG-CE2 3.44Å; M33-W198 HydrophobicContact CG-CE3 3.9Å; M33-W198 HydrophobicContact CG-CG 4.31Å; M33-W198 HydrophobicContact CG-CH2 3.78Å; M33-W198 HydrophobicContact CG-CZ2 3.51Å; M33-W198 HydrophobicContact CG-CZ3 3.97Å; M33-W198 HydrophobicContact SD-CD2 4.33Å; M33-W198 HydrophobicContact SD-CH2 3.96Å; M33-W198 HydrophobicContact SD-CZ2 3.26Å; M33-W198 WeakPolarHBondContact SD-CZ2 3.36Å; D34-W198 WeakPolarHBondContact O-CB 3.37Å; D34-W198 PolarHBondContact O-N 3.4Å; G54-W198 VanDerWaalsContact CA-CD1 3.46Å; G54-W198 PolarHBondContact O-NE1 2.66Å; K57-W198 HydrophobicContact CB-CZ2 4.39Å; K57-W198 HydrophobicContact CG-CD2 4.46Å; K57-W198 HydrophobicContact CG-CZ2 4.16Å; K57-W198 WeakPolarHBondContact CG-O 3.37Å; L58-W198 HydrophobicContact CB-CZ2 4.13Å; T61-W198 HydrophobicContact CG2-CH2 4.32Å; T172-W198 HydrophobicContact CG2-CE3 3.88Å; W198-E200 PolarHBondContact O-N 3.1Å; W198-Y201 HydrophobicContact CE3-CG 4.38Å; W198-Y201 HydrophobicContact CZ3-CD1 4.29Å; W198-Y201 HydrophobicContact CZ3-CG 4.26Å; W198-Y201 VanDerWaalsContact O-CB 3.22Å; W198-Y201 WeakPolarHBondContact O-CB 3.5Å; W198-Y201 PolarHBondContact O-N 2.93Å |
| 199 | P | 98.4 | Very high | 98.5 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -62.1 | -17.6 | 179.7 | -25.7 | 38 | 0 | 0 | 0 | 114.7 | N36 Y39 Q53 K57 | N36-P199 WeakPolarHBondContact OD1-CD 3.23Å; N36-P199 VanDerWaalsContact OD1-CG 3.27Å; N36-P199 WeakPolarHBondContact OD1-CG 3.36Å; Y39-P199 HydrophobicContact CD1-CB 3.59Å; Y39-P199 HydrophobicContact CD1-CG 3.62Å; Y39-P199 HydrophobicContact CD2-CB 3.88Å; Y39-P199 HydrophobicContact CD2-CG 4.34Å; Y39-P199 HydrophobicContact CE1-CB 3.75Å; Y39-P199 HydrophobicContact CE1-CG 4.25Å; Y39-P199 HydrophobicContact CE2-CB 4.02Å; Y39-P199 HydrophobicContact CG-CB 3.65Å; Y39-P199 HydrophobicContact CG-CG 3.66Å; Q53-P199 HydrophobicContact CB-CB 4.09Å; K57-P199 WeakPolarHBondContact CE-O 3.35Å |
| 200 | E | 98.5 | Very high | 98.6 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -95.6 | 2.3 | 179.3 | -54 | -174.6 | 122.4 | 0 | 0 | 112.8 | Y39 K42 V196 L197 W198 T202 | Y39-E200 HydrophobicContact CD2-CG 3.49Å; Y39-E200 VanDerWaalsContact CD2-CG 3.49Å; Y39-E200 HydrophobicContact CE2-CG 3.61Å; K42-E200 IonicContact NZ-OE1 2.66Å; K42-E200 PolarHBondContact NZ-OE1 3.42Å; K42-E200 IonicContact NZ-OE2 3.04Å; K42-E200 PolarHBondContact NZ-OE2 3.28Å; V196-E200 HydrophobicContact CG2-CB 3.96Å; L197-E200 HydrophobicContact CB-CG 4.4Å; L197-E200 WeakPolarHBondContact O-CA 3.45Å; L197-E200 WeakPolarHBondContact O-CB 3.37Å; L197-E200 PolarHBondContact O-N 3.38Å; W198-E200 PolarHBondContact O-N 3.1Å; E200-T202 WeakPolarHBondContact O-CG2 3.32Å |
| 201 | Y | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -59.1 | 140.2 | -177.1 | -156.7 | -106.2 | 0 | 0 | 0 | 111.9 | F31 K57 W64 I170 T172 Q194 V196 L197 W198 N205 L206 | F31-Y201 HydrophobicContact CE1-CE1 4.04Å; K57-Y201 VanDerWaalsContact CD-O 3.22Å; K57-Y201 WeakPolarHBondContact CD-O 3.15Å; K57-Y201 WeakPolarHBondContact CE-O 3.48Å; K57-Y201 PolarHBondContact NZ-O 3.41Å; W64-Y201 HydrophobicContact CZ3-CD1 4.34Å; I170-Y201 HydrophobicContact CG2-CE2 4.41Å; T172-Y201 HydrophobicContact CG2-CD2 3.53Å; T172-Y201 HydrophobicContact CG2-CE2 3.71Å; Q194-Y201 VanDerWaalsContact OE1-CE2 3.24Å; Q194-Y201 PolarHBondContact OE1-OH 2.89Å; V196-Y201 HydrophobicContact CG1-CD2 3.59Å; V196-Y201 HydrophobicContact CG1-CE2 3.98Å; L197-Y201 PolarHBondContact O-N 3.36Å; W198-Y201 HydrophobicContact CE3-CG 4.38Å; W198-Y201 HydrophobicContact CZ3-CD1 4.29Å; W198-Y201 HydrophobicContact CZ3-CG 4.26Å; W198-Y201 VanDerWaalsContact O-CB 3.22Å; W198-Y201 WeakPolarHBondContact O-CB 3.5Å; W198-Y201 PolarHBondContact O-N 2.93Å; Y201-N205 HydrophobicContact CD1-CB 4.42Å; Y201-N205 HydrophobicContact CD2-CB 3.81Å; Y201-N205 HydrophobicContact CE1-CB 4.06Å; Y201-N205 HydrophobicContact CE2-CB 3.39Å; Y201-N205 HydrophobicContact CG-CB 4.29Å; Y201-N205 PolarHBondContact OH-O 3.36Å; Y201-L206 HydrophobicContact CE1-CB 4.06Å; Y201-L206 PolarHBondContact OH-N 2.92Å | ||
| 202 | T | 98.6 | Very high | 98.6 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | trans | -123.3 | 164.9 | -177.2 | 70 | 0 | 0 | 0 | 0 | 111.6 | W64 E200 W204 N205 L206 | W64-T202 VanDerWaalsContact CZ3-C 3.48Å; E200-T202 WeakPolarHBondContact O-CG2 3.32Å; T202-W204 PolarHBondContact O-N 2.76Å; T202-W204 PolarHBondContact OG1-N 3.08Å; T202-N205 PolarHBondContact N-OD1 2.96Å; T202-N205 PolarHBondContact O-N 3.13Å; T202-N205 VanDerWaalsContact O-N 3.12Å; T202-N205 PolarHBondContact OG1-N 2.95Å; T202-N205 PolarHBondContact OG1-OD1 3.16Å; T202-L206 PolarHBondContact O-N 3.49Å | ||
| 203 | F | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.6 | -38.3 | 169.4 | 175.8 | -90 | 0 | 0 | 0 | 111.6 | L9 E13 W64 L68 N205 L206 F207 | L9-F203 HydrophobicContact CD1-CE2 4.15Å; L9-F203 HydrophobicContact CD1-CZ 4.49Å; L9-F203 HydrophobicContact CD2-CD2 3.89Å; L9-F203 HydrophobicContact CD2-CE2 3.67Å; E13-F203 HydrophobicContact CB-CD1 3.93Å; E13-F203 HydrophobicContact CB-CD2 4.45Å; E13-F203 HydrophobicContact CB-CE1 3.69Å; E13-F203 HydrophobicContact CB-CE2 4.25Å; E13-F203 HydrophobicContact CB-CG 4.3Å; E13-F203 HydrophobicContact CB-CZ 3.86Å; E13-F203 HydrophobicContact CG-CB 4.36Å; E13-F203 HydrophobicContact CG-CD1 3.5Å; E13-F203 HydrophobicContact CG-CD2 4.4Å; E13-F203 HydrophobicContact CG-CE1 3.8Å; E13-F203 HydrophobicContact CG-CG 3.83Å; E13-F203 HydrophobicContact CG-CZ 4.37Å; E13-F203 VanDerWaalsContact OE1-CB 3.28Å; E13-F203 WeakPolarHBondContact OE1-CB 3.26Å; W64-F203 HydrophobicContact CB-CD2 4.26Å; W64-F203 AromaticContact CD1-CD2 3.98Å; W64-F203 HydrophobicContact CD2-CB 4.2Å; W64-F203 HydrophobicContact CD2-CD2 4.45Å; W64-F203 HydrophobicContact CG-CD2 4.01Å; W64-F203 HydrophobicContact CZ2-CB 4.26Å; L68-F203 HydrophobicContact CD1-CE2 4.03Å; L68-F203 HydrophobicContact CD2-CE2 4.12Å; L68-F203 HydrophobicContact CD2-CZ 4.25Å; L68-F203 HydrophobicContact CG-CE2 4.25Å; F203-N205 VanDerWaalsContact C-N 3.31Å; F203-N205 PolarHBondContact O-N 2.84Å; F203-L206 WeakPolarHBondContact O-CB 3.49Å; F203-L206 PolarHBondContact O-N 2.74Å; F203-L206 VanDerWaalsContact O-N 3.14Å; F203-F207 HydrophobicContact CD1-CB 4.41Å; F203-F207 HydrophobicContact CE1-CB 4.14Å; F203-F207 HydrophobicContact CE1-CD2 4.29Å; F203-F207 WeakPolarHBondContact O-CB 3.41Å; F203-F207 PolarHBondContact O-N 3.49Å |
| 204 | W | 98.7 | Very high | 98.6 | Very high | 119 Ų | 119 | 35.6 Ų | 35.6 | 45% | 0.451 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -67.3 | -30.7 | -178.8 | -56.1 | 115.9 | 0 | 0 | 0 | 113.2 | W12 E13 C16 T202 F207 E208 | W12-W204 HydrophobicContact CB-CH2 4.13Å; W12-W204 HydrophobicContact CB-CZ2 4.33Å; E13-W204 HydrophobicContact CG-CH2 4.19Å; E13-W204 HydrophobicContact CG-CZ2 3.96Å; C16-W204 HydrophobicContact CB-CZ3 4.18Å; T202-W204 PolarHBondContact O-N 2.76Å; T202-W204 PolarHBondContact OG1-N 3.08Å; W204-F207 HydrophobicContact CE3-CB 4.49Å; W204-F207 HydrophobicContact CE3-CG 4.5Å; W204-F207 PolarHBondContact O-N 2.89Å; W204-E208 WeakPolarHBondContact O-CB 3.36Å; W204-E208 PolarHBondContact O-N 2.95Å |
| 205 | N | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | 171.6 | -57.6 | 114.1 | 0 | 0 | 0 | 111.2 | Q194 Y201 T202 F203 F207 E208 A209 | Q194-N205 PolarHBondContact NE2-O 3.15Å; Y201-N205 HydrophobicContact CD1-CB 4.42Å; Y201-N205 HydrophobicContact CD2-CB 3.81Å; Y201-N205 HydrophobicContact CE1-CB 4.06Å; Y201-N205 HydrophobicContact CE2-CB 3.39Å; Y201-N205 HydrophobicContact CG-CB 4.29Å; Y201-N205 PolarHBondContact OH-O 3.36Å; T202-N205 PolarHBondContact N-OD1 2.96Å; T202-N205 PolarHBondContact O-N 3.13Å; T202-N205 VanDerWaalsContact O-N 3.12Å; T202-N205 PolarHBondContact OG1-N 2.95Å; T202-N205 PolarHBondContact OG1-OD1 3.16Å; F203-N205 VanDerWaalsContact C-N 3.31Å; F203-N205 PolarHBondContact O-N 2.84Å; N205-F207 VanDerWaalsContact C-N 3.35Å; N205-E208 PolarHBondContact O-N 3.19Å; N205-A209 PolarHBondContact O-N 2.93Å; N205-A209 VanDerWaalsContact O-N 3.07Å |
| 206 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 173.4 | -179.8 | 57.7 | 0 | 0 | 0 | 111.6 | I29 F31 W64 L68 I170 Y201 T202 F203 A209 I210 | I29-L206 HydrophobicContact CD1-CD1 3.92Å; F31-L206 HydrophobicContact CZ-CD1 3.97Å; W64-L206 HydrophobicContact CB-CD2 3.83Å; L68-L206 HydrophobicContact CD1-CD2 3.85Å; L68-L206 HydrophobicContact CD1-CG 4.3Å; I170-L206 HydrophobicContact CD1-CD1 4.21Å; Y201-L206 HydrophobicContact CE1-CB 4.06Å; Y201-L206 PolarHBondContact OH-N 2.92Å; T202-L206 PolarHBondContact O-N 3.49Å; F203-L206 WeakPolarHBondContact O-CB 3.49Å; F203-L206 PolarHBondContact O-N 2.74Å; F203-L206 VanDerWaalsContact O-N 3.14Å; L206-A209 WeakPolarHBondContact O-CB 3.4Å; L206-A209 PolarHBondContact O-N 2.94Å; L206-I210 HydrophobicContact CD1-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 4.08Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 3.34Å |
| 207 | F | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 177.2 | 179.8 | -94 | 0 | 0 | 0 | 112 | C16 I20 F203 W204 N205 A209 I210 L211 | C16-F207 HydrophobicContact CB-CD2 4.27Å; C16-F207 HydrophobicContact CB-CE2 3.64Å; C16-F207 HydrophobicContact CB-CZ 3.97Å; I20-F207 HydrophobicContact CB-CE2 4.24Å; I20-F207 HydrophobicContact CD1-CD2 3.59Å; I20-F207 HydrophobicContact CD1-CE2 3.67Å; I20-F207 HydrophobicContact CG1-CD2 4.31Å; I20-F207 HydrophobicContact CG1-CE2 3.89Å; I20-F207 HydrophobicContact CG2-CD2 4.29Å; I20-F207 HydrophobicContact CG2-CE2 3.36Å; I20-F207 HydrophobicContact CG2-CZ 3.63Å; F203-F207 HydrophobicContact CD1-CB 4.41Å; F203-F207 HydrophobicContact CE1-CB 4.14Å; F203-F207 HydrophobicContact CE1-CD2 4.29Å; F203-F207 WeakPolarHBondContact O-CB 3.41Å; F203-F207 PolarHBondContact O-N 3.49Å; W204-F207 HydrophobicContact CE3-CB 4.49Å; W204-F207 HydrophobicContact CE3-CG 4.5Å; W204-F207 PolarHBondContact O-N 2.89Å; N205-F207 VanDerWaalsContact C-N 3.35Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.31Å; F207-I210 PolarHBondContact O-N 2.74Å; F207-L211 HydrophobicContact CD1-CD1 3.94Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 3.94Å; F207-L211 HydrophobicContact CZ-CD1 3.99Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 PolarHBondContact O-N 2.5Å |
| 208 | E | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58 | -43.7 | 174.2 | 178.5 | -175 | -133.2 | 0 | 0 | 111.7 | Q194 W204 N205 I210 L211 Q212 | Q194-E208 PolarHBondContact NE2-OE2 3.41Å; W204-E208 WeakPolarHBondContact O-CB 3.36Å; W204-E208 PolarHBondContact O-N 2.95Å; N205-E208 PolarHBondContact O-N 3.19Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 2.93Å; E208-L211 WeakPolarHBondContact O-CB 3.41Å; E208-L211 PolarHBondContact O-N 3.4Å; E208-Q212 PolarHBondContact O-N 2.9Å |
| 209 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I170 V192 N205 L206 F207 Q212 F213 | I170-A209 HydrophobicContact CD1-CB 3.41Å; I170-A209 VanDerWaalsContact CD1-CB 3.41Å; I170-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CB-CB 4.33Å; V192-A209 HydrophobicContact CG1-CB 3.92Å; V192-A209 HydrophobicContact CG2-CB 4.24Å; N205-A209 PolarHBondContact O-N 2.93Å; N205-A209 VanDerWaalsContact O-N 3.07Å; L206-A209 WeakPolarHBondContact O-CB 3.4Å; L206-A209 PolarHBondContact O-N 2.94Å; F207-A209 VanDerWaalsContact C-N 3.32Å; F207-A209 PolarHBondContact O-N 3.31Å; A209-Q212 PolarHBondContact O-N 2.69Å; A209-F213 PolarHBondContact O-N 2.99Å |
| 210 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -40 | 175.4 | -63.8 | 163.8 | 0 | 0 | 0 | 110.9 | I20 M25 P26 I29 L68 I70 I168 L206 F207 E208 Q212 F213 Q214 | I20-I210 HydrophobicContact CD1-CB 4.39Å; I20-I210 HydrophobicContact CD1-CD1 4.29Å; I20-I210 HydrophobicContact CD1-CG2 3.94Å; M25-I210 HydrophobicContact CE-CD1 4.36Å; M25-I210 HydrophobicContact CE-CG2 4.25Å; M25-I210 HydrophobicContact SD-CG2 3.98Å; P26-I210 HydrophobicContact CG-CG1 4.2Å; I29-I210 HydrophobicContact CD1-CG1 4.4Å; L68-I210 HydrophobicContact CD1-CD1 3.7Å; I70-I210 HydrophobicContact CD1-CD1 3.83Å; I168-I210 HydrophobicContact CD1-CG1 4.32Å; L206-I210 HydrophobicContact CD1-CD1 4.29Å; L206-I210 HydrophobicContact CG-CD1 4.08Å; L206-I210 WeakPolarHBondContact O-CG1 3.18Å; L206-I210 PolarHBondContact O-N 3.34Å; F207-I210 PolarHBondContact O-N 2.74Å; E208-I210 VanDerWaalsContact C-N 3.33Å; E208-I210 PolarHBondContact O-N 2.93Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; I210-Q212 PolarHBondContact O-N 3.38Å; I210-F213 WeakPolarHBondContact O-CB 3.09Å; I210-F213 PolarHBondContact O-N 3.39Å; I210-Q214 WeakPolarHBondContact O-CG 3.37Å; I210-Q214 PolarHBondContact O-N 2.85Å |
| 211 | L | 98.6 | Very high | 98.2 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 173.5 | -80.5 | -179.5 | 0 | 0 | 0 | 111.8 | I20 F207 E208 F213 Q214 M215 | I20-L211 HydrophobicContact CG2-CD2 3.76Å; I20-L211 HydrophobicContact CG2-CG 4.37Å; F207-L211 HydrophobicContact CD1-CD1 3.94Å; F207-L211 HydrophobicContact CD1-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.36Å; F207-L211 HydrophobicContact CE1-CG 3.94Å; F207-L211 HydrophobicContact CZ-CD1 3.99Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 PolarHBondContact O-N 2.5Å; E208-L211 WeakPolarHBondContact O-CB 3.41Å; E208-L211 PolarHBondContact O-N 3.4Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.9Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.15Å; L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.48Å; L211-M215 PolarHBondContact O-N 3.35Å |
| 212 | Q | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 57 Ų | 57 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 175.3 | -71.3 | -146.1 | 26.7 | 0 | 0 | 112.2 | V192 E208 A209 I210 M215 N216 | V192-Q212 HydrophobicContact CG2-CB 4.09Å; E208-Q212 PolarHBondContact O-N 2.9Å; A209-Q212 PolarHBondContact O-N 2.69Å; I210-Q212 VanDerWaalsContact C-N 3.35Å; I210-Q212 PolarHBondContact O-N 3.38Å; Q212-M215 PolarHBondContact O-N 3.11Å; Q212-N216 PolarHBondContact O-N 3.23Å; Q212-N216 VanDerWaalsContact O-N 3.11Å; Q212-N216 PolarHBondContact O-ND2 3.22Å |
| 213 | F | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 172.8 | 165.4 | -98.1 | 0 | 0 | 0 | 112 | P24 P26 D167 I168 C190 A209 I210 L211 M215 N216 H217 | P24-F213 HydrophobicContact CB-CE1 4.34Å; P26-F213 HydrophobicContact CB-CD1 4.37Å; P26-F213 HydrophobicContact CB-CE1 4.29Å; P26-F213 HydrophobicContact CB-CZ 4.47Å; D167-F213 HydrophobicContact CB-CD2 4.15Å; D167-F213 HydrophobicContact CB-CE2 3.67Å; D167-F213 HydrophobicContact CB-CZ 4.19Å; I168-F213 HydrophobicContact CD1-CB 3.4Å; I168-F213 VanDerWaalsContact CD1-CB 3.4Å; I168-F213 HydrophobicContact CD1-CD2 4.42Å; I168-F213 HydrophobicContact CD1-CG 3.89Å; I168-F213 HydrophobicContact CG1-CB 3.73Å; I168-F213 HydrophobicContact CG1-CD2 3.95Å; I168-F213 HydrophobicContact CG1-CG 3.94Å; C190-F213 HydrophobicContact CB-CB 4.26Å; C190-F213 HydrophobicContact CB-CD2 4.18Å; A209-F213 PolarHBondContact O-N 2.99Å; I210-F213 WeakPolarHBondContact O-CB 3.09Å; I210-F213 PolarHBondContact O-N 3.39Å; L211-F213 VanDerWaalsContact C-N 3.29Å; L211-F213 PolarHBondContact O-N 2.9Å; F213-M215 VanDerWaalsContact C-N 3.32Å; F213-M215 PolarHBondContact O-N 3.26Å; F213-N216 CarbonylContact O-C 3.44Å; F213-N216 PolarHBondContact O-N 2.97Å; F213-N216 VanDerWaalsContact O-N 3.12Å; F213-H217 AromaticContact CE1-ND1 3.92Å; F213-H217 AromaticContact CE2-ND1 3.97Å; F213-H217 AromaticContact CZ-ND1 3.39Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.15Å; F213-H217 WeakPolarHBondContact O-CA 3.41Å; F213-H217 WeakPolarHBondContact O-CB 3.43Å; F213-H217 PolarHBondContact O-N 3.02Å |
| 214 | Q | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 179.3 | -72.8 | -171.2 | -21.9 | 0 | 0 | 112.3 | I20 P24 I210 L211 N216 H217 | I20-Q214 PolarHBondContact O-NE2 3.48Å; P24-Q214 HydrophobicContact CG-CG 4.25Å; P24-Q214 WeakPolarHBondContact O-CG 3.04Å; P24-Q214 PolarHBondContact O-NE2 3.47Å; I210-Q214 WeakPolarHBondContact O-CG 3.37Å; I210-Q214 PolarHBondContact O-N 2.85Å; L211-Q214 PolarHBondContact O-N 3.14Å; L211-Q214 VanDerWaalsContact O-N 3.15Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.4Å; Q214-H217 WeakPolarHBondContact O-CB 3.46Å; Q214-H217 PolarHBondContact O-N 3.23Å |
| 215 | M | 98.2 | Very high | 97.5 | Very high | 152 Ų | 152 | 56.9 Ų | 56.9 | 75% | 0.749 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.2 | -33.9 | 176.1 | -68.9 | 179.2 | 73.6 | 0 | 0 | 112.7 | L211 Q212 F213 | L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.48Å; L211-M215 PolarHBondContact O-N 3.35Å; Q212-M215 PolarHBondContact O-N 3.11Å; F213-M215 VanDerWaalsContact C-N 3.32Å; F213-M215 PolarHBondContact O-N 3.26Å |
| 216 | N | 98 | Very high | 97.3 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -93.5 | -7.5 | -179.5 | -73.3 | -82.2 | 0 | 0 | 0 | 113.8 | Q212 F213 Q214 S218 V219 L220 | Q212-N216 PolarHBondContact O-N 3.23Å; Q212-N216 VanDerWaalsContact O-N 3.11Å; Q212-N216 PolarHBondContact O-ND2 3.22Å; F213-N216 CarbonylContact O-C 3.44Å; F213-N216 PolarHBondContact O-N 2.97Å; F213-N216 VanDerWaalsContact O-N 3.12Å; Q214-N216 VanDerWaalsContact C-N 3.28Å; Q214-N216 PolarHBondContact O-N 3.4Å; N216-S218 PolarHBondContact O-N 3.37Å; N216-V219 PolarHBondContact O-N 3.14Å; N216-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CG 4.22Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 WeakPolarHBondContact O-CG 3.49Å; N216-L220 PolarHBondContact O-N 2.91Å |
| 217 | H | 97.7 | Very high | 96.9 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | -166 | 178.8 | 76.5 | 0 | 0 | 0 | 113 | P24 F213 Q214 V219 L220 Q221 | P24-H217 HydrophobicContact CG-CB 3.86Å; F213-H217 AromaticContact CE1-ND1 3.92Å; F213-H217 AromaticContact CE2-ND1 3.97Å; F213-H217 AromaticContact CZ-ND1 3.39Å; F213-H217 WeakPolarHBondContact CZ-ND1 3.15Å; F213-H217 WeakPolarHBondContact O-CA 3.41Å; F213-H217 WeakPolarHBondContact O-CB 3.43Å; F213-H217 PolarHBondContact O-N 3.02Å; Q214-H217 WeakPolarHBondContact O-CB 3.46Å; Q214-H217 PolarHBondContact O-N 3.23Å; H217-V219 PolarHBondContact O-N 3.04Å; H217-L220 PolarHBondContact O-N 3.28Å; H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.16Å |
| 218 | S | 96.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 58% | 0.58 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | -176.7 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | N216 K222 | N216-S218 PolarHBondContact O-N 3.37Å; S218-K222 WeakPolarHBondContact O-CB 3.48Å; S218-K222 PolarHBondContact O-N 2.99Å |
| 219 | V | 97.6 | Very high | 96.3 | Very high | 100 Ų | 100 | 68.9 Ų | 68.9 | 61% | 0.606 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.9 | -46.5 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | N216 H217 Q221 K222 A223 | N216-V219 PolarHBondContact O-N 3.14Å; H217-V219 PolarHBondContact O-N 3.04Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.33Å; V219-K222 PolarHBondContact O-N 3.26Å; V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.9Å |
| 220 | L | 96.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.9 | -75.9 | 174.5 | 0 | 0 | 0 | 111.5 | C190 N216 H217 A223 R224 | C190-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CD1 3.82Å; N216-L220 HydrophobicContact CB-CG 4.22Å; N216-L220 WeakPolarHBondContact O-CB 3.41Å; N216-L220 WeakPolarHBondContact O-CG 3.49Å; N216-L220 PolarHBondContact O-N 2.91Å; H217-L220 PolarHBondContact O-N 3.28Å; L220-A223 PolarHBondContact O-N 2.87Å; L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 3.17Å |
| 221 | Q | 95.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 76.9 Ų | 76.9 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 178.2 | -173.4 | 57.1 | 35.4 | 0 | 0 | 111.2 | H217 V219 A223 R224 D225 | H217-Q221 WeakPolarHBondContact O-CB 3.37Å; H217-Q221 PolarHBondContact O-N 3.16Å; V219-Q221 VanDerWaalsContact C-N 3.34Å; V219-Q221 PolarHBondContact O-N 3.33Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.13Å; Q221-R224 WeakPolarHBondContact O-CB 3.46Å; Q221-R224 PolarHBondContact O-N 3.02Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; Q221-D225 PolarHBondContact NE2-OD1 3.02Å; Q221-D225 PolarHBondContact NE2-OD2 3.01Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.08Å; Q221-D225 VanDerWaalsContact O-CG 3.26Å; Q221-D225 PolarHBondContact O-N 2.8Å |
| 222 | K | 96.6 | Very high | 94.8 | Very high | 141 Ų | 141 | 81.3 Ų | 81.3 | 61% | 0.613 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 176.4 | -175.2 | 177.4 | 179.1 | 179.5 | 0 | 112.2 | S218 V219 D225 M226 | S218-K222 WeakPolarHBondContact O-CB 3.48Å; S218-K222 PolarHBondContact O-N 2.99Å; V219-K222 PolarHBondContact O-N 3.26Å; K222-D225 PolarHBondContact O-N 2.79Å; K222-M226 HydrophobicContact CG-CG 4.4Å; K222-M226 HydrophobicContact CG-SD 3.97Å; K222-M226 WeakPolarHBondContact O-CB 3.27Å; K222-M226 VanDerWaalsContact O-CG 3.23Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.37Å |
| 223 | A | 95 | Very high | 94.4 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 33% | 0.331 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V219 L220 Q221 Y227 | V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.9Å; L220-A223 PolarHBondContact O-N 2.87Å; Q221-A223 VanDerWaalsContact C-N 3.31Å; Q221-A223 PolarHBondContact O-N 3.13Å; A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å |
| 224 | R | 93.7 | Very high | 93.6 | Very high | 53 Ų | 53 | 86.5 Ų | 86.5 | 20% | 0.2 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.4 | -74.6 | -174 | -65.6 | -152 | 11.5 | 111.8 | D167 H188 L220 Q221 Y227 A228 | D167-R224 IonicContact OD1-NH1 2.97Å; H188-R224 HydrophobicContact CB-CG 3.59Å; L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 VanDerWaalsContact O-CG 3.32Å; L220-R224 WeakPolarHBondContact O-CG 3.42Å; L220-R224 PolarHBondContact O-N 3.17Å; Q221-R224 WeakPolarHBondContact O-CB 3.46Å; Q221-R224 PolarHBondContact O-N 3.02Å; Q221-R224 VanDerWaalsContact O-N 3.16Å; R224-Y227 PolarHBondContact O-N 3.35Å; R224-A228 WeakPolarHBondContact O-CB 3.5Å; R224-A228 PolarHBondContact O-N 2.92Å |
| 225 | D | 94.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 87.9 Ų | 87.9 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | -179.4 | -64.4 | -26.1 | 0 | 0 | 0 | 111 | Q221 K222 Y227 A228 E229 | Q221-D225 PolarHBondContact NE2-OD1 3.02Å; Q221-D225 PolarHBondContact NE2-OD2 3.01Å; Q221-D225 VanDerWaalsContact NE2-OD2 3.08Å; Q221-D225 VanDerWaalsContact O-CG 3.26Å; Q221-D225 PolarHBondContact O-N 2.8Å; K222-D225 PolarHBondContact O-N 2.79Å; D225-Y227 VanDerWaalsContact C-N 3.34Å; D225-Y227 PolarHBondContact O-N 3.36Å; D225-A228 PolarHBondContact O-N 3.14Å; D225-E229 WeakPolarHBondContact O-CG 3.37Å; D225-E229 PolarHBondContact O-N 3.06Å |
| 226 | M | 95.3 | Very high | 92.3 | Very high | 111 Ų | 111 | 84.5 Ų | 84.5 | 55% | 0.547 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 175.2 | -74 | 176.8 | 62.5 | 0 | 0 | 112.2 | K222 E229 E230 | K222-M226 HydrophobicContact CG-CG 4.4Å; K222-M226 HydrophobicContact CG-SD 3.97Å; K222-M226 WeakPolarHBondContact O-CB 3.27Å; K222-M226 VanDerWaalsContact O-CG 3.23Å; K222-M226 WeakPolarHBondContact O-CG 3.38Å; K222-M226 PolarHBondContact O-N 3.37Å; M226-E229 PolarHBondContact O-N 3.33Å; M226-E230 VanDerWaalsContact O-CB 3.32Å; M226-E230 WeakPolarHBondContact O-CB 3.45Å; M226-E230 PolarHBondContact O-N 3.39Å |
| 227 | Y | 91.4 | Very high | 91.8 | Very high | 118 Ų | 118 | 86 Ų | 86 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 176.3 | 179.1 | -95.8 | 0 | 0 | 0 | 111.3 | A223 R224 D225 E229 E230 R231 | A223-Y227 WeakPolarHBondContact O-CB 3.39Å; A223-Y227 PolarHBondContact O-N 3.48Å; R224-Y227 PolarHBondContact O-N 3.35Å; D225-Y227 VanDerWaalsContact C-N 3.34Å; D225-Y227 PolarHBondContact O-N 3.36Å; Y227-E229 PolarHBondContact O-N 2.92Å; Y227-E230 PolarHBondContact O-N 3.18Å; Y227-R231 HydrophobicContact CD1-CG 4.1Å; Y227-R231 HydrophobicContact CE1-CG 3.7Å; Y227-R231 HydrophobicContact CE2-CG 4.15Å; Y227-R231 HydrophobicContact CG-CG 4.5Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 VanDerWaalsContact O-CG 3.26Å; Y227-R231 WeakPolarHBondContact O-CG 3.45Å; Y227-R231 PolarHBondContact O-N 3.37Å |
| 228 | A | 89.6 | Confident | 90.8 | Very high | 42 Ų | 42 | 88.8 Ų | 88.8 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R224 D225 R231 K232 | R224-A228 WeakPolarHBondContact O-CB 3.5Å; R224-A228 PolarHBondContact O-N 2.92Å; D225-A228 PolarHBondContact O-N 3.14Å; A228-R231 PolarHBondContact O-N 3.41Å; A228-K232 WeakPolarHBondContact O-CG 3.34Å; A228-K232 PolarHBondContact O-N 2.96Å |
| 229 | E | 93.8 | Very high | 90.1 | Very high | 134 Ų | 134 | 85.5 Ų | 85.5 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 175 | -74.5 | 179.4 | 175.9 | 0 | 0 | 111.7 | D225 M226 Y227 R231 K232 R233 | D225-E229 WeakPolarHBondContact O-CG 3.37Å; D225-E229 PolarHBondContact O-N 3.06Å; M226-E229 PolarHBondContact O-N 3.33Å; Y227-E229 PolarHBondContact O-N 2.92Å; E229-R231 VanDerWaalsContact C-N 3.33Å; E229-R231 PolarHBondContact O-N 3.49Å; E229-K232 PolarHBondContact O-N 2.95Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.09Å |
| 230 | E | 91.7 | Very high | 89.6 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 28% | 0.28 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 178 | -179 | 56.3 | -150.7 | 0 | 0 | 111.7 | M226 Y227 R233 Q234 | M226-E230 VanDerWaalsContact O-CB 3.32Å; M226-E230 WeakPolarHBondContact O-CB 3.45Å; M226-E230 PolarHBondContact O-N 3.39Å; Y227-E230 PolarHBondContact O-N 3.18Å; E230-R233 PolarHBondContact O-N 3.42Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.28Å; E230-R233 IonicContact OE1-NH2 2.81Å; E230-R233 PolarHBondContact OE1-NH2 3.19Å; E230-R233 IonicContact OE2-CZ 2.73Å; E230-R233 IonicContact OE2-NE 3.06Å; E230-R233 PolarHBondContact OE2-NE 3.12Å; E230-R233 VanDerWaalsContact OE2-NE 3.13Å; E230-R233 IonicContact OE2-NH1 3.47Å; E230-R233 IonicContact OE2-NH2 3.85Å; E230-R233 PolarHBondContact OE2-NH2 3.49Å; E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.28Å; E230-Q234 PolarHBondContact OE1-NE2 3.04Å |
| 231 | R | 84.9 | Confident | 88.9 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.8 | -69.8 | -55.3 | -59.6 | -174.9 | -11.2 | 112.4 | Y227 A228 E229 Q235 | Y227-R231 HydrophobicContact CD1-CG 4.1Å; Y227-R231 HydrophobicContact CE1-CG 3.7Å; Y227-R231 HydrophobicContact CE2-CG 4.15Å; Y227-R231 HydrophobicContact CG-CG 4.5Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 VanDerWaalsContact O-CG 3.26Å; Y227-R231 WeakPolarHBondContact O-CG 3.45Å; Y227-R231 PolarHBondContact O-N 3.37Å; A228-R231 PolarHBondContact O-N 3.41Å; E229-R231 VanDerWaalsContact C-N 3.33Å; E229-R231 PolarHBondContact O-N 3.49Å; R231-Q235 WeakPolarHBondContact O-CB 3.48Å; R231-Q235 PolarHBondContact O-N 3.33Å |
| 232 | K | 87.9 | Confident | 88.2 | Confident | 158 Ų | 158 | 86.3 Ų | 86.3 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.5 | -73.9 | 173.8 | -178.2 | 178.2 | 0 | 111.2 | A228 E229 Q235 L236 | A228-K232 WeakPolarHBondContact O-CG 3.34Å; A228-K232 PolarHBondContact O-N 2.96Å; E229-K232 PolarHBondContact O-N 2.95Å; K232-Q235 PolarHBondContact O-N 3.02Å; K232-L236 PolarHBondContact O-N 3.46Å |
| 233 | R | 90.6 | Very high | 87.6 | Confident | 135 Ų | 135 | 79.8 Ų | 79.8 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.1 | -52.9 | 176.5 | -174.7 | -178.6 | 71.6 | 164.7 | 7 | 111.6 | E229 E230 Q235 L236 E237 | E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.09Å; E230-R233 PolarHBondContact O-N 3.42Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.28Å; E230-R233 IonicContact OE1-NH2 2.81Å; E230-R233 PolarHBondContact OE1-NH2 3.19Å; E230-R233 IonicContact OE2-CZ 2.73Å; E230-R233 IonicContact OE2-NE 3.06Å; E230-R233 PolarHBondContact OE2-NE 3.12Å; E230-R233 VanDerWaalsContact OE2-NE 3.13Å; E230-R233 IonicContact OE2-NH1 3.47Å; E230-R233 IonicContact OE2-NH2 3.85Å; E230-R233 PolarHBondContact OE2-NH2 3.49Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.42Å; R233-L236 WeakPolarHBondContact O-CB 3.44Å; R233-L236 PolarHBondContact O-N 3.26Å; R233-L236 VanDerWaalsContact O-N 3.15Å; R233-E237 WeakPolarHBondContact O-CG 3.28Å; R233-E237 PolarHBondContact O-N 3.31Å |
| 234 | Q | 82.4 | Confident | 87.2 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 24% | 0.238 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 178.5 | -70.4 | 178.2 | 11.6 | 0 | 0 | 112.6 | E230 R238 | E230-Q234 WeakPolarHBondContact O-CG 3.49Å; E230-Q234 PolarHBondContact O-N 2.95Å; E230-Q234 WeakPolarHBondContact OE1-CG 3.28Å; E230-Q234 PolarHBondContact OE1-NE2 3.04Å; Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.49Å; Q234-R238 PolarHBondContact O-N 2.88Å; Q234-R238 VanDerWaalsContact O-N 3.1Å |
| 235 | Q | 83.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 82.3 Ų | 82.3 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 176.3 | -173.4 | 58.9 | 49.3 | 0 | 0 | 111.4 | R231 K232 R233 R238 D239 R272 | R231-Q235 WeakPolarHBondContact O-CB 3.48Å; R231-Q235 PolarHBondContact O-N 3.33Å; K232-Q235 PolarHBondContact O-N 3.02Å; R233-Q235 VanDerWaalsContact C-N 3.28Å; R233-Q235 PolarHBondContact O-N 3.42Å; Q235-R238 PolarHBondContact O-N 2.89Å; Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 WeakPolarHBondContact O-CB 2.91Å; Q235-D239 VanDerWaalsContact O-CG 3.22Å; Q235-D239 PolarHBondContact O-N 3.15Å; Q235-R272 VanDerWaalsContact NE2-NH1 3.15Å |
| 236 | L | 86.4 | Confident | 85.9 | Confident | 80 Ų | 80 | 82.2 Ų | 82.2 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 176.8 | 178.6 | 61.6 | 0 | 0 | 0 | 111.6 | K232 R233 R238 D239 Q240 L265 | K232-L236 PolarHBondContact O-N 3.46Å; R233-L236 WeakPolarHBondContact O-CB 3.44Å; R233-L236 PolarHBondContact O-N 3.26Å; R233-L236 VanDerWaalsContact O-N 3.15Å; L236-R238 PolarHBondContact O-N 3.3Å; L236-D239 PolarHBondContact O-N 3.32Å; L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CB 3.4Å; L236-Q240 VanDerWaalsContact O-CG 3.3Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.12Å; L236-L265 HydrophobicContact CD1-CD2 3.76Å |
| 237 | E | 87.1 | Confident | 85.5 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.9 | -73.1 | 171.5 | -180 | 0 | 0 | 111.9 | R233 Q240 A241 | R233-E237 WeakPolarHBondContact O-CG 3.28Å; R233-E237 PolarHBondContact O-N 3.31Å; E237-Q240 PolarHBondContact O-N 3.21Å; E237-A241 WeakPolarHBondContact O-CB 3.15Å; E237-A241 PolarHBondContact O-N 3.41Å |
| 238 | R | 75.4 | Confident | 85.1 | Confident | 111 Ų | 111 | 76.9 Ų | 76.9 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.4 | -72 | 174.3 | -166.8 | 136.1 | 11.5 | 112.5 | Q234 Q235 L236 Q240 A241 T242 | Q234-R238 VanDerWaalsContact O-CG 3.28Å; Q234-R238 WeakPolarHBondContact O-CG 3.49Å; Q234-R238 PolarHBondContact O-N 2.88Å; Q234-R238 VanDerWaalsContact O-N 3.1Å; Q235-R238 PolarHBondContact O-N 2.89Å; L236-R238 PolarHBondContact O-N 3.3Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-A241 PolarHBondContact O-N 3.02Å; R238-T242 WeakPolarHBondContact O-CB 3.14Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.95Å |
| 239 | D | 83.3 | Confident | 84.9 | Confident | 15 Ų | 15 | 84 Ų | 84 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 179 | -70.1 | -10.4 | 0 | 0 | 0 | 110.6 | Q235 L236 T242 V243 L265 L268 R272 | Q235-D239 PolarHBondContact NE2-OD1 3.48Å; Q235-D239 WeakPolarHBondContact O-CB 2.91Å; Q235-D239 VanDerWaalsContact O-CG 3.22Å; Q235-D239 PolarHBondContact O-N 3.15Å; L236-D239 PolarHBondContact O-N 3.32Å; D239-T242 PolarHBondContact O-N 2.99Å; D239-V243 WeakPolarHBondContact O-CG2 3.35Å; D239-V243 PolarHBondContact O-N 3.32Å; D239-L265 HydrophobicContact CB-CD1 3.45Å; D239-L265 VanDerWaalsContact CB-CD1 3.45Å; D239-L268 HydrophobicContact CB-CD2 4.12Å; D239-R272 VanDerWaalsContact CG-NH1 3.26Å; D239-R272 IonicContact OD1-CZ 2.75Å; D239-R272 IonicContact OD1-NH1 3.65Å; D239-R272 PolarHBondContact OD1-NH1 3.34Å; D239-R272 IonicContact OD1-NH2 3.53Å; D239-R272 IonicContact OD2-CZ 2.92Å; D239-R272 IonicContact OD2-NH1 4Å; D239-R272 PolarHBondContact OD2-NH1 3.01Å; D239-R272 IonicContact OD2-NH2 3.46Å; D239-R272 PolarHBondContact OD2-NH2 3.1Å |
| 240 | Q | 86.6 | Confident | 84.5 | Confident | 96 Ų | 96 | 82.1 Ų | 82.1 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.1 | -73.4 | 178.9 | -0.2 | 0 | 0 | 112.6 | L236 E237 R238 T242 V243 T244 L265 | L236-Q240 HydrophobicContact CD1-CG 4.29Å; L236-Q240 WeakPolarHBondContact O-CB 3.4Å; L236-Q240 VanDerWaalsContact O-CG 3.3Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.12Å; E237-Q240 PolarHBondContact O-N 3.21Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-T242 VanDerWaalsContact C-N 3.34Å; Q240-V243 PolarHBondContact O-N 2.97Å; Q240-T244 WeakPolarHBondContact O-CB 3.36Å; Q240-T244 PolarHBondContact O-N 2.82Å; Q240-T244 PolarHBondContact O-OG1 3.45Å; Q240-L265 HydrophobicContact CG-CD1 4.37Å; Q240-L265 HydrophobicContact CG-CD2 4.38Å |
| 241 | A | 82.1 | Confident | 84 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E237 R238 V243 T244 E245 | E237-A241 WeakPolarHBondContact O-CB 3.15Å; E237-A241 PolarHBondContact O-N 3.41Å; R238-A241 PolarHBondContact O-N 3.02Å; A241-V243 PolarHBondContact O-N 3.39Å; A241-T244 WeakPolarHBondContact O-CB 3.46Å; A241-T244 PolarHBondContact O-N 3.38Å; A241-E245 PolarHBondContact O-N 2.96Å |
| 242 | T | 80 | Confident | 83.6 | Confident | 54 Ų | 54 | 81 Ų | 81 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | R238 D239 Q240 T244 E245 Q246 L268 | R238-T242 WeakPolarHBondContact O-CB 3.14Å; R238-T242 PolarHBondContact O-N 3.44Å; R238-T242 PolarHBondContact O-OG1 2.95Å; D239-T242 PolarHBondContact O-N 2.99Å; Q240-T242 VanDerWaalsContact C-N 3.34Å; T242-T244 VanDerWaalsContact C-N 3.33Å; T242-T244 PolarHBondContact O-N 2.92Å; T242-E245 PolarHBondContact O-N 2.91Å; T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.37Å; T242-Q246 VanDerWaalsContact O-N 3.09Å; T242-L268 HydrophobicContact CG2-CD2 4.31Å |
| 243 | V | 85.7 | Confident | 82.6 | Confident | 4 Ų | 4 | 80.8 Ų | 80.8 | 2% | 0.024 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | D239 Q240 A241 Q246 L247 R264 L265 L268 | D239-V243 WeakPolarHBondContact O-CG2 3.35Å; D239-V243 PolarHBondContact O-N 3.32Å; Q240-V243 PolarHBondContact O-N 2.97Å; A241-V243 PolarHBondContact O-N 3.39Å; V243-Q246 PolarHBondContact O-N 2.91Å; V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 HydrophobicContact CG1-CG 4.4Å; V243-L247 WeakPolarHBondContact O-CG 3.38Å; V243-L247 PolarHBondContact O-N 3.32Å; V243-R264 HydrophobicContact CG1-CB 3.64Å; V243-R264 HydrophobicContact CG1-CG 4.47Å; V243-R264 HydrophobicContact CG2-CB 4.22Å; V243-L265 HydrophobicContact CG2-CB 4.46Å; V243-L265 HydrophobicContact CG2-CD1 4.29Å; V243-L268 HydrophobicContact CG2-CD2 4.18Å |
| 244 | T | 85.4 | Confident | 81 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 179.2 | -59 | 0 | 0 | 0 | 0 | 111.2 | Q240 A241 T242 Q246 L247 L248 A254 | Q240-T244 WeakPolarHBondContact O-CB 3.36Å; Q240-T244 PolarHBondContact O-N 2.82Å; Q240-T244 PolarHBondContact O-OG1 3.45Å; A241-T244 WeakPolarHBondContact O-CB 3.46Å; A241-T244 PolarHBondContact O-N 3.38Å; T242-T244 VanDerWaalsContact C-N 3.33Å; T242-T244 PolarHBondContact O-N 2.92Å; T244-Q246 PolarHBondContact O-N 3.39Å; T244-L247 PolarHBondContact O-N 2.87Å; T244-L248 HydrophobicContact CG2-CD1 4.12Å; T244-L248 WeakPolarHBondContact O-CG 3.27Å; T244-L248 PolarHBondContact O-N 2.84Å; T244-A254 HydrophobicContact CG2-CB 3.87Å |
| 245 | E | 80.6 | Confident | 79.9 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.4 | -169.6 | -176.3 | 177.7 | 0 | 0 | 112.1 | A241 T242 L248 R249 | A241-E245 PolarHBondContact O-N 2.96Å; T242-E245 PolarHBondContact O-N 2.91Å; E245-L248 PolarHBondContact O-N 3.17Å; E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.24Å; E245-R249 IonicContact OE1-CZ 2.97Å; E245-R249 IonicContact OE1-NE 3.34Å; E245-R249 IonicContact OE1-NH2 4Å; E245-R249 PolarHBondContact OE1-NH2 2.87Å |
| 246 | Q | 81.4 | Confident | 78.8 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.9 | -72.8 | 173.5 | 1.2 | 0 | 0 | 112.1 | T242 V243 T244 R249 E250 | T242-Q246 WeakPolarHBondContact O-CG 3.44Å; T242-Q246 PolarHBondContact O-N 3.37Å; T242-Q246 VanDerWaalsContact O-N 3.09Å; V243-Q246 PolarHBondContact O-N 2.91Å; T244-Q246 PolarHBondContact O-N 3.39Å; Q246-R249 PolarHBondContact O-N 2.71Å; Q246-E250 WeakPolarHBondContact O-CG 3.32Å; Q246-E250 PolarHBondContact O-N 3.44Å |
| 247 | L | 85.1 | Confident | 78.1 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.7 | -69.9 | 172.4 | 0 | 0 | 0 | 112 | V243 T244 R249 E250 G251 L252 L260 R261 | V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 HydrophobicContact CG1-CG 4.4Å; V243-L247 WeakPolarHBondContact O-CG 3.38Å; V243-L247 PolarHBondContact O-N 3.32Å; T244-L247 PolarHBondContact O-N 2.87Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.3Å; L247-E250 CarbonylContact O-C 3.43Å; L247-E250 PolarHBondContact O-N 2.66Å; L247-E250 VanDerWaalsContact O-N 3.14Å; L247-G251 PolarHBondContact O-N 2.94Å; L247-L252 CarbonylContact C-O 3.56Å; L247-L252 HydrophobicContact CB-CB 4.49Å; L247-L252 HydrophobicContact CD2-CB 4.33Å; L247-L252 HydrophobicContact CD2-CD1 4Å; L247-L252 PolarHBondContact O-N 3.45Å; L247-L260 HydrophobicContact CD2-CD2 4.01Å; L247-L260 HydrophobicContact CD2-CG 4.4Å; L247-R261 HydrophobicContact CD1-CG 3.61Å |
| 248 | L | 84.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 75 Ų | 75 | 59% | 0.592 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60 | -42.5 | 175.8 | -76.1 | 164.8 | 0 | 0 | 0 | 111.8 | T244 E245 E250 G251 | T244-L248 HydrophobicContact CG2-CD1 4.12Å; T244-L248 WeakPolarHBondContact O-CG 3.27Å; T244-L248 PolarHBondContact O-N 2.84Å; E245-L248 PolarHBondContact O-N 3.17Å; L248-E250 VanDerWaalsContact C-N 3.3Å; L248-E250 PolarHBondContact O-N 2.91Å; L248-G251 PolarHBondContact O-N 3.29Å; L248-G251 VanDerWaalsContact O-N 3.13Å |
| 249 | R | 84.4 | Confident | 77.9 | Confident | 192 Ų | 192 | 76.7 Ų | 76.7 | 73% | 0.725 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -32.7 | 175.4 | -70 | 175.2 | -174.8 | -160.8 | 3.2 | 112.8 | E245 Q246 L247 G251 | E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.24Å; E245-R249 IonicContact OE1-CZ 2.97Å; E245-R249 IonicContact OE1-NE 3.34Å; E245-R249 IonicContact OE1-NH2 4Å; E245-R249 PolarHBondContact OE1-NH2 2.87Å; Q246-R249 PolarHBondContact O-N 2.71Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-R249 PolarHBondContact O-N 3.3Å; R249-G251 PolarHBondContact O-N 2.97Å |
| 250 | E | 86.4 | Confident | 78 | Confident | 94 Ų | 94 | 78.8 Ų | 78.8 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 1.2 | 175.7 | -68.9 | 174.8 | -165.8 | 0 | 0 | 112.7 | Q246 L247 L248 L252 R264 | Q246-E250 WeakPolarHBondContact O-CG 3.32Å; Q246-E250 PolarHBondContact O-N 3.44Å; L247-E250 CarbonylContact O-C 3.43Å; L247-E250 PolarHBondContact O-N 2.66Å; L247-E250 VanDerWaalsContact O-N 3.14Å; L248-E250 VanDerWaalsContact C-N 3.3Å; L248-E250 PolarHBondContact O-N 2.91Å; E250-L252 HydrophobicContact CB-CD1 4.14Å; E250-L252 HydrophobicContact CB-CG 4.28Å; E250-L252 PolarHBondContact O-N 3.31Å; E250-R264 IonicContact OE1-CZ 2.74Å; E250-R264 IonicContact OE1-NH1 3.51Å; E250-R264 PolarHBondContact OE1-NH1 3.23Å; E250-R264 IonicContact OE1-NH2 3.85Å; E250-R264 IonicContact OE2-CZ 3.52Å; E250-R264 IonicContact OE2-NH1 3.13Å; E250-R264 IonicContact OE2-NH2 2.76Å; E250-R264 PolarHBondContact OE2-NH2 3.03Å |
| 251 | G | 81.4 | Confident | 77.8 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L247 L248 R249 | L247-G251 PolarHBondContact O-N 2.94Å; L248-G251 PolarHBondContact O-N 3.29Å; L248-G251 VanDerWaalsContact O-N 3.13Å; R249-G251 PolarHBondContact O-N 2.97Å |
| 252 | L | 76.4 | Confident | 78 | Confident | 75 Ų | 75 | 84.9 Ų | 84.9 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | trans | -89.5 | 128.3 | 179.7 | -63.8 | 170.4 | 0 | 0 | 0 | 109.3 | L247 E250 A254 L260 | L247-L252 CarbonylContact C-O 3.56Å; L247-L252 HydrophobicContact CB-CB 4.49Å; L247-L252 HydrophobicContact CD2-CB 4.33Å; L247-L252 HydrophobicContact CD2-CD1 4Å; L247-L252 PolarHBondContact O-N 3.45Å; E250-L252 HydrophobicContact CB-CD1 4.14Å; E250-L252 HydrophobicContact CB-CG 4.28Å; E250-L252 PolarHBondContact O-N 3.31Å; L252-A254 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact O-N 3.16Å; L252-L260 HydrophobicContact CD1-CD2 4.27Å | ||
| 253 | Q | 66.6 | Low | 78.5 | Confident | 155 Ų | 155 | 86.3 Ų | 86.3 | 72% | 0.724 | 46% | 0.46 | S | S | * | . | trans | -64.6 | 119.9 | 175.7 | -79 | -163.5 | -5.5 | 0 | 0 | 110.5 | S255 G256 | Q253-S255 PolarHBondContact O-N 3.29Å; Q253-S255 VanDerWaalsContact O-N 3.09Å; Q253-S255 PolarHBondContact OE1-OG 2.98Å; Q253-G256 PolarHBondContact O-N 2.9Å | ||
| 254 | A | 56.8 | Low | 78.5 | Confident | 20 Ų | 20 | 89.8 Ų | 89.8 | 17% | 0.165 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T244 L252 R261 | T244-A254 HydrophobicContact CG2-CB 3.87Å; L252-A254 PolarHBondContact O-N 3.49Å; L252-A254 VanDerWaalsContact O-N 3.16Å; A254-R261 WeakPolarHBondContact O-CD 3.32Å; A254-R261 PolarHBondContact O-NE 2.92Å; A254-R261 PolarHBondContact O-NH1 3.36Å; A254-R261 PolarHBondContact O-NH2 3.26Å |
| 255 | S | 58.2 | Low | 78.5 | Confident | 88 Ų | 88 | 89.4 Ų | 89.4 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.8 | -178.4 | 36.6 | 0 | 0 | 0 | 0 | 115.7 | Q253 | Q253-S255 PolarHBondContact O-N 3.29Å; Q253-S255 VanDerWaalsContact O-N 3.09Å; Q253-S255 PolarHBondContact OE1-OG 2.98Å |
| 256 | G | 60 | Low | 78.9 | Confident | 64 Ų | 64 | 91.4 Ų | 91.4 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -87.1 | -28.7 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q253 | Q253-G256 PolarHBondContact O-N 2.9Š|
| 257 | D | 71.6 | Confident | 79.2 | Confident | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | trans | -142.2 | 99.7 | -174.7 | -167.5 | -13.7 | 0 | 0 | 0 | 112 | Q259 L260 R261 | D257-Q259 PolarHBondContact O-N 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.46Å; D257-Q259 VanDerWaalsContact OD1-CB 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.49Å; D257-Q259 PolarHBondContact OD1-N 3.03Å; D257-L260 HydrophobicContact CB-CB 3.86Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 PolarHBondContact OD1-N 2.86Å; D257-R261 PolarHBondContact O-N 3.49Å | ||
| 258 | A | 76.9 | Confident | 78.9 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -27.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R262 | A258-R262 VanDerWaalsContact O-CG 3.31Å; A258-R262 WeakPolarHBondContact O-CG 3.3Å; A258-R262 PolarHBondContact O-N 2.74Å; A258-R262 VanDerWaalsContact O-N 3.17Å |
| 259 | Q | 83.4 | Confident | 78.6 | Confident | 146 Ų | 146 | 93.5 Ų | 93.5 | 68% | 0.682 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -77.2 | -38 | -179.3 | -167.7 | 148.9 | -30.3 | 0 | 0 | 111.5 | D257 R262 T263 | D257-Q259 PolarHBondContact O-N 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CA 3.46Å; D257-Q259 VanDerWaalsContact OD1-CB 3.29Å; D257-Q259 WeakPolarHBondContact OD1-CB 3.49Å; D257-Q259 PolarHBondContact OD1-N 3.03Å; Q259-R262 PolarHBondContact O-N 3.46Å; Q259-T263 WeakPolarHBondContact O-CB 3.38Å; Q259-T263 PolarHBondContact O-N 2.78Å; Q259-T263 PolarHBondContact O-OG1 3.49Å |
| 260 | L | 84.1 | Confident | 78.6 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 30% | 0.304 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 172.5 | -176.6 | 62.2 | 0 | 0 | 0 | 111.7 | L247 L252 D257 T263 R264 | L247-L260 HydrophobicContact CD2-CD2 4.01Å; L247-L260 HydrophobicContact CD2-CG 4.4Å; L252-L260 HydrophobicContact CD1-CD2 4.27Å; D257-L260 HydrophobicContact CB-CB 3.86Å; D257-L260 PolarHBondContact O-N 3.29Å; D257-L260 PolarHBondContact OD1-N 2.86Å; L260-T263 PolarHBondContact O-N 3.21Å; L260-R264 HydrophobicContact CD1-CG 4.46Å; L260-R264 WeakPolarHBondContact O-CG 3.4Å; L260-R264 PolarHBondContact O-N 2.95Å |
| 261 | R | 83.3 | Confident | 78.2 | Confident | 94 Ų | 94 | 89.8 Ų | 89.8 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.7 | -83.5 | -173.7 | -79.7 | 178.5 | -11 | 112.3 | L247 A254 D257 T263 R264 L265 | L247-R261 HydrophobicContact CD1-CG 3.61Å; A254-R261 WeakPolarHBondContact O-CD 3.32Å; A254-R261 PolarHBondContact O-NE 2.92Å; A254-R261 PolarHBondContact O-NH1 3.36Å; A254-R261 PolarHBondContact O-NH2 3.26Å; D257-R261 PolarHBondContact O-N 3.49Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 2.91Å; R261-R264 PolarHBondContact O-N 2.88Å; R261-L265 WeakPolarHBondContact O-CB 3.34Å; R261-L265 PolarHBondContact O-N 3.39Å |
| 262 | R | 86.6 | Confident | 78.1 | Confident | 190 Ų | 190 | 90 Ų | 90 | 72% | 0.717 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 176.1 | -74.7 | 174.3 | -178.6 | -178.3 | 1.2 | 111.6 | A258 Q259 L265 H266 | A258-R262 VanDerWaalsContact O-CG 3.31Å; A258-R262 WeakPolarHBondContact O-CG 3.3Å; A258-R262 PolarHBondContact O-N 2.74Å; A258-R262 VanDerWaalsContact O-N 3.17Å; Q259-R262 PolarHBondContact O-N 3.46Å; R262-L265 PolarHBondContact O-N 2.97Å; R262-H266 PolarHBondContact O-N 3.07Å |
| 263 | T | 89.5 | Confident | 78.2 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 52% | 0.521 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 178.1 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | Q259 L260 R261 H266 K267 | Q259-T263 WeakPolarHBondContact O-CB 3.38Å; Q259-T263 PolarHBondContact O-N 2.78Å; Q259-T263 PolarHBondContact O-OG1 3.49Å; L260-T263 PolarHBondContact O-N 3.21Å; R261-T263 VanDerWaalsContact C-N 3.33Å; R261-T263 PolarHBondContact O-N 2.91Å; T263-H266 PolarHBondContact O-N 3.02Å; T263-K267 WeakPolarHBondContact O-CB 3.38Å; T263-K267 PolarHBondContact O-N 2.94Å |
| 264 | R | 85.7 | Confident | 78.7 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 29% | 0.291 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177.8 | -71.6 | -74.1 | -175.5 | 134.2 | 8.2 | 111.9 | V243 E250 L260 R261 K267 L268 | V243-R264 HydrophobicContact CG1-CB 3.64Å; V243-R264 HydrophobicContact CG1-CG 4.47Å; V243-R264 HydrophobicContact CG2-CB 4.22Å; E250-R264 IonicContact OE1-CZ 2.74Å; E250-R264 IonicContact OE1-NH1 3.51Å; E250-R264 PolarHBondContact OE1-NH1 3.23Å; E250-R264 IonicContact OE1-NH2 3.85Å; E250-R264 IonicContact OE2-CZ 3.52Å; E250-R264 IonicContact OE2-NH1 3.13Å; E250-R264 IonicContact OE2-NH2 2.76Å; E250-R264 PolarHBondContact OE2-NH2 3.03Å; L260-R264 HydrophobicContact CD1-CG 4.46Å; L260-R264 WeakPolarHBondContact O-CG 3.4Å; L260-R264 PolarHBondContact O-N 2.95Å; R261-R264 PolarHBondContact O-N 2.88Å; R264-K267 PolarHBondContact O-N 3.47Å; R264-L268 WeakPolarHBondContact O-CB 3.33Å; R264-L268 PolarHBondContact O-N 3.38Å |
| 265 | L | 86.4 | Confident | 79.6 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 19% | 0.194 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.7 | -172.1 | 70.4 | 0 | 0 | 0 | 111.9 | L236 D239 Q240 V243 R261 R262 K267 L268 S269 | L236-L265 HydrophobicContact CD1-CD2 3.76Å; D239-L265 HydrophobicContact CB-CD1 3.45Å; D239-L265 VanDerWaalsContact CB-CD1 3.45Å; Q240-L265 HydrophobicContact CG-CD1 4.37Å; Q240-L265 HydrophobicContact CG-CD2 4.38Å; V243-L265 HydrophobicContact CG2-CB 4.46Å; V243-L265 HydrophobicContact CG2-CD1 4.29Å; R261-L265 WeakPolarHBondContact O-CB 3.34Å; R261-L265 PolarHBondContact O-N 3.39Å; R262-L265 PolarHBondContact O-N 2.97Å; L265-K267 PolarHBondContact O-N 2.77Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 2.76Å; L265-S269 PolarHBondContact O-N 3.43Å |
| 266 | H | 89 | Confident | 80.2 | Confident | 142 Ų | 142 | 93.5 Ų | 93.5 | 66% | 0.657 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60 | -46 | 175.6 | -175.8 | -88.3 | 0 | 0 | 0 | 111.3 | R262 T263 L268 S269 A270 | R262-H266 PolarHBondContact O-N 3.07Å; T263-H266 PolarHBondContact O-N 3.02Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.09Å; H266-S269 PolarHBondContact O-N 3.45Å; H266-A270 WeakPolarHBondContact O-CB 3.47Å; H266-A270 PolarHBondContact O-N 3.34Å |
| 267 | K | 86.1 | Confident | 81.2 | Confident | 152 Ų | 152 | 94.2 Ų | 94.2 | 66% | 0.661 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.9 | -39.3 | 177.3 | -167.7 | 175.7 | -176.6 | 176.5 | 0 | 112.2 | T263 R264 L265 R271 | T263-K267 WeakPolarHBondContact O-CB 3.38Å; T263-K267 PolarHBondContact O-N 2.94Å; R264-K267 PolarHBondContact O-N 3.47Å; L265-K267 PolarHBondContact O-N 2.77Å; K267-R271 VanDerWaalsContact O-CB 3.27Å; K267-R271 WeakPolarHBondContact O-CB 3.36Å; K267-R271 PolarHBondContact O-N 3.49Å |
| 268 | L | 79.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 92 Ų | 92 | 20% | 0.204 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 175.9 | -178.8 | 68.9 | 0 | 0 | 0 | 111.2 | D239 T242 V243 R264 L265 H266 R272 | D239-L268 HydrophobicContact CB-CD2 4.12Å; T242-L268 HydrophobicContact CG2-CD2 4.31Å; V243-L268 HydrophobicContact CG2-CD2 4.18Å; R264-L268 WeakPolarHBondContact O-CB 3.33Å; R264-L268 PolarHBondContact O-N 3.38Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 2.76Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.09Å; L268-R272 WeakPolarHBondContact O-CB 3.25Å; L268-R272 PolarHBondContact O-N 3.32Å |
| 269 | S | 79.3 | Confident | 81.3 | Confident | 46 Ų | 46 | 94 Ų | 94 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 179 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | L265 H266 R271 R272 E273 | L265-S269 PolarHBondContact O-N 3.43Å; H266-S269 PolarHBondContact O-N 3.45Å; S269-R271 PolarHBondContact O-N 2.89Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.32Å; S269-R272 VanDerWaalsContact O-N 3.11Å; S269-E273 PolarHBondContact O-N 2.82Å |
| 270 | A | 82.5 | Confident | 81 | Confident | 42 Ų | 42 | 87.8 Ų | 87.8 | 35% | 0.347 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | H266 R272 E273 E274 | H266-A270 WeakPolarHBondContact O-CB 3.47Å; H266-A270 PolarHBondContact O-N 3.34Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.86Å; A270-E273 PolarHBondContact O-N 3.3Å; A270-E274 PolarHBondContact O-N 3.24Å |
| 271 | R | 78.8 | Confident | 81 | Confident | 165 Ų | 165 | 91 Ų | 91 | 62% | 0.623 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.9 | -35 | 177.2 | -160.4 | -163.7 | 172.9 | 178.5 | -1 | 111.7 | K267 S269 R275 | K267-R271 VanDerWaalsContact O-CB 3.27Å; K267-R271 WeakPolarHBondContact O-CB 3.36Å; K267-R271 PolarHBondContact O-N 3.49Å; S269-R271 PolarHBondContact O-N 2.89Å; R271-R275 VanDerWaalsContact CG-NH1 3.25Å; R271-R275 WeakPolarHBondContact O-CG 3.32Å; R271-R275 PolarHBondContact O-N 3.18Å; R271-R275 PolarHBondContact O-NH1 3.43Å |
| 272 | R | 78.9 | Confident | 80.7 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 27% | 0.272 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 174.6 | 174.4 | 175.9 | 59.7 | -140.6 | -3 | 110.1 | Q235 D239 L268 S269 A270 R275 V276 | Q235-R272 VanDerWaalsContact NE2-NH1 3.15Å; D239-R272 VanDerWaalsContact CG-NH1 3.26Å; D239-R272 IonicContact OD1-CZ 2.75Å; D239-R272 IonicContact OD1-NH1 3.65Å; D239-R272 PolarHBondContact OD1-NH1 3.34Å; D239-R272 IonicContact OD1-NH2 3.53Å; D239-R272 IonicContact OD2-CZ 2.92Å; D239-R272 IonicContact OD2-NH1 4Å; D239-R272 PolarHBondContact OD2-NH1 3.01Å; D239-R272 IonicContact OD2-NH2 3.46Å; D239-R272 PolarHBondContact OD2-NH2 3.1Å; L268-R272 WeakPolarHBondContact O-CB 3.25Å; L268-R272 PolarHBondContact O-N 3.32Å; S269-R272 WeakPolarHBondContact O-CB 3.41Å; S269-R272 PolarHBondContact O-N 3.32Å; S269-R272 VanDerWaalsContact O-N 3.11Å; A270-R272 VanDerWaalsContact C-N 3.3Å; A270-R272 PolarHBondContact O-N 2.86Å; R272-R275 PolarHBondContact O-N 2.92Å; R272-V276 HydrophobicContact CG-CG2 4.33Å; R272-V276 WeakPolarHBondContact O-CB 3.49Å; R272-V276 VanDerWaalsContact O-CG2 3.25Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å |
| 273 | E | 79 | Confident | 80.3 | Confident | 107 Ų | 107 | 82 Ų | 82 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 178.4 | -170.6 | 174.8 | -179.5 | 0 | 0 | 111.8 | S269 A270 R275 V276 Q277 | S269-E273 PolarHBondContact O-N 2.82Å; A270-E273 PolarHBondContact O-N 3.3Å; E273-R275 PolarHBondContact O-N 3.41Å; E273-V276 WeakPolarHBondContact O-CB 3.32Å; E273-V276 PolarHBondContact O-N 3.25Å; E273-Q277 HydrophobicContact CG-CG 4.47Å; E273-Q277 VanDerWaalsContact O-CG 3.31Å; E273-Q277 WeakPolarHBondContact O-CG 3.5Å; E273-Q277 PolarHBondContact O-N 3.25Å |
| 274 | E | 78 | Confident | 80.2 | Confident | 140 Ų | 140 | 80.5 Ų | 80.5 | 65% | 0.654 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.2 | -49.6 | 175.6 | -176.1 | -172.8 | -172.8 | 0 | 0 | 112.3 | A270 V276 Q277 G278 | A270-E274 PolarHBondContact O-N 3.24Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 2.96Å; E274-Q277 PolarHBondContact O-N 2.89Å; E274-G278 PolarHBondContact O-N 2.95Å |
| 275 | R | 74 | Confident | 80.2 | Confident | 133 Ų | 133 | 82.7 Ų | 82.7 | 50% | 0.502 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 177.5 | -70.9 | -168.1 | -49.4 | -81.5 | 8.5 | 112 | R271 R272 E273 F279 | R271-R275 VanDerWaalsContact CG-NH1 3.25Å; R271-R275 WeakPolarHBondContact O-CG 3.32Å; R271-R275 PolarHBondContact O-N 3.18Å; R271-R275 PolarHBondContact O-NH1 3.43Å; R272-R275 PolarHBondContact O-N 2.92Å; E273-R275 PolarHBondContact O-N 3.41Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 2.98Å |
| 276 | V | 71.7 | Confident | 80.2 | Confident | 32 Ų | 32 | 88.3 Ų | 88.3 | 19% | 0.194 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 177.2 | 164.5 | 0 | 0 | 0 | 0 | 109.9 | L153 R272 E273 E274 G278 F279 L280 | L153-V276 HydrophobicContact CD1-CG1 4.24Å; L153-V276 HydrophobicContact CD2-CG2 4.37Å; R272-V276 HydrophobicContact CG-CG2 4.33Å; R272-V276 WeakPolarHBondContact O-CB 3.49Å; R272-V276 VanDerWaalsContact O-CG2 3.25Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å; E273-V276 WeakPolarHBondContact O-CB 3.32Å; E273-V276 PolarHBondContact O-N 3.25Å; E274-V276 VanDerWaalsContact C-N 3.31Å; E274-V276 PolarHBondContact O-N 2.96Å; V276-G278 PolarHBondContact O-N 3.43Å; V276-F279 PolarHBondContact O-N 3.48Å; V276-L280 HydrophobicContact CG1-CD1 3.6Å; V276-L280 HydrophobicContact CG1-CG 4.22Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 3.12Å |
| 277 | Q | 80.3 | Confident | 80.1 | Confident | 79 Ų | 79 | 84.4 Ų | 84.4 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 178.2 | -68.8 | -65.4 | -8.2 | 0 | 0 | 111.9 | E273 E274 F279 L280 Q281 | E273-Q277 HydrophobicContact CG-CG 4.47Å; E273-Q277 VanDerWaalsContact O-CG 3.31Å; E273-Q277 WeakPolarHBondContact O-CG 3.5Å; E273-Q277 PolarHBondContact O-N 3.25Å; E274-Q277 PolarHBondContact O-N 2.89Å; Q277-F279 PolarHBondContact O-N 3.49Å; Q277-L280 PolarHBondContact O-N 3.4Å; Q277-Q281 VanDerWaalsContact O-CG 3.32Å; Q277-Q281 WeakPolarHBondContact O-CG 3.45Å; Q277-Q281 PolarHBondContact O-N 3.48Å |
| 278 | G | 75.5 | Confident | 80 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 38% | 0.381 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E274 V276 A282 | E274-G278 PolarHBondContact O-N 2.95Å; V276-G278 PolarHBondContact O-N 3.43Å; G278-A282 PolarHBondContact O-N 3.16Å; G278-A282 VanDerWaalsContact O-N 3.12Å |
| 279 | F | 74.9 | Confident | 80.4 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 44% | 0.439 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 174.8 | 167.4 | -92.8 | 0 | 0 | 0 | 112.3 | L153 C157 R275 V276 Q277 Q281 A282 L283 | L153-F279 HydrophobicContact CD1-CD1 3.54Å; L153-F279 HydrophobicContact CD1-CE1 3.63Å; C157-F279 VanDerWaalsContact SG-CE1 3.54Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 2.98Å; V276-F279 PolarHBondContact O-N 3.48Å; Q277-F279 PolarHBondContact O-N 3.49Å; F279-Q281 PolarHBondContact O-N 2.82Å; F279-A282 PolarHBondContact O-N 3.29Å; F279-L283 HydrophobicContact CE1-CB 4.49Å; F279-L283 HydrophobicContact CE1-CD2 4.04Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.27Å; F279-L283 PolarHBondContact O-N 3.35Å |
| 280 | L | 77.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 84.4 Ų | 84.4 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | -179 | -71.2 | 168.8 | 0 | 0 | 0 | 111.9 | L153 K156 V276 Q277 L283 E284 | L153-L280 HydrophobicContact CD1-CD2 3.95Å; L153-L280 HydrophobicContact CD1-CG 4.31Å; K156-L280 HydrophobicContact CB-CD2 3.48Å; K156-L280 VanDerWaalsContact CB-CD2 3.48Å; K156-L280 HydrophobicContact CD-CD1 3.36Å; K156-L280 HydrophobicContact CD-CD2 3.74Å; K156-L280 HydrophobicContact CD-CG 4.18Å; K156-L280 HydrophobicContact CG-CD2 4.23Å; V276-L280 HydrophobicContact CG1-CD1 3.6Å; V276-L280 HydrophobicContact CG1-CG 4.22Å; V276-L280 WeakPolarHBondContact O-CB 3.35Å; V276-L280 WeakPolarHBondContact O-CG 3.5Å; V276-L280 PolarHBondContact O-N 3.12Å; Q277-L280 PolarHBondContact O-N 3.4Å; L280-L283 PolarHBondContact O-N 2.88Å; L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.09Å |
| 281 | Q | 84.1 | Confident | 80.9 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.584 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 173.9 | -71.5 | 172.2 | 5.1 | 0 | 0 | 111.2 | Q277 F279 L283 E284 L285 | Q277-Q281 VanDerWaalsContact O-CG 3.32Å; Q277-Q281 WeakPolarHBondContact O-CG 3.45Å; Q277-Q281 PolarHBondContact O-N 3.48Å; F279-Q281 PolarHBondContact O-N 2.82Å; Q281-L283 VanDerWaalsContact C-N 3.32Å; Q281-L283 PolarHBondContact O-N 3.34Å; Q281-E284 PolarHBondContact O-N 3.43Å; Q281-L285 WeakPolarHBondContact O-CB 3.34Å; Q281-L285 VanDerWaalsContact O-CG 3.32Å; Q281-L285 WeakPolarHBondContact O-CG 3.31Å; Q281-L285 PolarHBondContact O-N 3.27Å |
| 282 | A | 78.7 | Confident | 81.1 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G278 F279 L285 K286 | G278-A282 PolarHBondContact O-N 3.16Å; G278-A282 VanDerWaalsContact O-N 3.12Å; F279-A282 PolarHBondContact O-N 3.29Å; A282-L285 PolarHBondContact O-N 3.02Å; A282-K286 WeakPolarHBondContact O-CB 3.41Å; A282-K286 PolarHBondContact O-N 2.93Å |
| 283 | L | 77.9 | Confident | 81.5 | Confident | 37 Ų | 37 | 82.5 Ų | 82.5 | 19% | 0.194 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 176.4 | -179.7 | 60.9 | 0 | 0 | 0 | 111.8 | C157 F279 L280 Q281 K286 R287 | C157-L283 HydrophobicContact CB-CD2 4.47Å; F279-L283 HydrophobicContact CE1-CB 4.49Å; F279-L283 HydrophobicContact CE1-CD2 4.04Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.27Å; F279-L283 PolarHBondContact O-N 3.35Å; L280-L283 PolarHBondContact O-N 2.88Å; Q281-L283 VanDerWaalsContact C-N 3.32Å; Q281-L283 PolarHBondContact O-N 3.34Å; L283-K286 PolarHBondContact O-N 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.31Å; L283-R287 PolarHBondContact O-N 3.32Å |
| 284 | E | 85.8 | Confident | 81.5 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.6 | -72.7 | -59.7 | 138.2 | 0 | 0 | 111.8 | N161 R162 L280 Q281 K286 R287 A288 | N161-E284 PolarHBondContact ND2-OE1 3.47Å; R162-E284 IonicContact CZ-OE2 2.77Å; R162-E284 IonicContact NE-OE2 3.83Å; R162-E284 IonicContact NH2-OE2 2.76Å; R162-E284 PolarHBondContact NH2-OE2 2.99Å; L280-E284 WeakPolarHBondContact O-CG 3.39Å; L280-E284 PolarHBondContact O-N 3.09Å; Q281-E284 PolarHBondContact O-N 3.43Å; E284-K286 PolarHBondContact O-N 2.96Å; E284-R287 PolarHBondContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 3.73Å; E284-R287 IonicContact OE1-NH1 2.93Å; E284-R287 PolarHBondContact OE1-NH1 3Å; E284-A288 WeakPolarHBondContact O-CB 3.5Å; E284-A288 PolarHBondContact O-N 2.89Å |
| 285 | L | 86.9 | Confident | 81.3 | Confident | 123 Ų | 123 | 72.4 Ų | 72.4 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.2 | -46.1 | 172.2 | -76.4 | 168.4 | 0 | 0 | 0 | 111.5 | Q281 A282 R287 A288 D289 | Q281-L285 WeakPolarHBondContact O-CB 3.34Å; Q281-L285 VanDerWaalsContact O-CG 3.32Å; Q281-L285 WeakPolarHBondContact O-CG 3.31Å; Q281-L285 PolarHBondContact O-N 3.27Å; A282-L285 PolarHBondContact O-N 3.02Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.46Å; L285-A288 PolarHBondContact O-N 3.29Å; L285-D289 WeakPolarHBondContact O-CB 3.43Å; L285-D289 PolarHBondContact O-N 3.01Å |
| 286 | K | 85.2 | Confident | 81.3 | Confident | 156 Ų | 156 | 70.4 Ų | 70.4 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 177.9 | -174.1 | 176.8 | 178.4 | 179.6 | 0 | 112.3 | A282 L283 E284 W290 | A282-K286 WeakPolarHBondContact O-CB 3.41Å; A282-K286 PolarHBondContact O-N 2.93Å; L283-K286 PolarHBondContact O-N 3.45Å; E284-K286 PolarHBondContact O-N 2.96Å; K286-W290 PolarHBondContact O-N 3.42Å; K286-W290 VanDerWaalsContact O-N 3.09Å |
| 287 | R | 87.3 | Confident | 80.6 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.3 | -74.7 | 169.5 | 168.7 | 171.7 | -8.8 | 111.5 | K156 C157 L158 N161 L283 E284 L285 L291 | K156-R287 PolarHBondContact O-NH1 3.14Å; C157-R287 PolarHBondContact O-NH2 3.41Å; L158-R287 PolarHBondContact O-NH2 3.37Å; L158-R287 VanDerWaalsContact O-NH2 3.13Å; N161-R287 PolarHBondContact ND2-NH1 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.31Å; L283-R287 PolarHBondContact O-N 3.32Å; E284-R287 PolarHBondContact O-N 3.13Å; E284-R287 IonicContact OE1-CZ 3.73Å; E284-R287 IonicContact OE1-NH1 2.93Å; E284-R287 PolarHBondContact OE1-NH1 3Å; L285-R287 VanDerWaalsContact C-N 3.34Å; L285-R287 PolarHBondContact O-N 3.46Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 PolarHBondContact O-N 3.26Å |
| 288 | A | 85.1 | Confident | 79.2 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E284 L285 L291 A292 | E284-A288 WeakPolarHBondContact O-CB 3.5Å; E284-A288 PolarHBondContact O-N 2.89Å; L285-A288 PolarHBondContact O-N 3.29Å; A288-L291 PolarHBondContact O-N 3.01Å; A288-A292 VanDerWaalsContact O-CB 3.32Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.11Å |
| 289 | D | 88.1 | Confident | 77.5 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 177 | 177.1 | 52.6 | 0 | 0 | 0 | 111.5 | L285 L291 A292 R293 | L285-D289 WeakPolarHBondContact O-CB 3.43Å; L285-D289 PolarHBondContact O-N 3.01Å; D289-L291 PolarHBondContact O-N 2.9Å; D289-A292 PolarHBondContact O-N 3.41Å; D289-R293 VanDerWaalsContact CG-NE 3.27Å; D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 3.19Å; D289-R293 IonicContact OD1-CZ 3.68Å; D289-R293 IonicContact OD1-NE 2.99Å; D289-R293 PolarHBondContact OD1-NE 3.29Å; D289-R293 IonicContact OD1-NH2 3.32Å; D289-R293 PolarHBondContact OD1-NH2 2.93Å; D289-R293 IonicContact OD2-CZ 3.53Å; D289-R293 IonicContact OD2-NE 3.72Å; D289-R293 PolarHBondContact OD2-NE 3.37Å; D289-R293 IonicContact OD2-NH2 3.75Å; D289-R293 PolarHBondContact OD2-NH2 2.8Å |
| 290 | W | 86.8 | Confident | 77.6 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 176.9 | -169.5 | 82.8 | 0 | 0 | 0 | 112.5 | L124 K286 A292 R293 L294 | L124-W290 HydrophobicContact CB-CH2 4.04Å; L124-W290 HydrophobicContact CD1-CZ3 4.42Å; K286-W290 PolarHBondContact O-N 3.42Å; K286-W290 VanDerWaalsContact O-N 3.09Å; W290-A292 PolarHBondContact O-N 2.92Å; W290-R293 PolarHBondContact O-N 3.31Å; W290-L294 HydrophobicContact CD2-CD1 3.94Å; W290-L294 HydrophobicContact CE3-CD1 3.78Å; W290-L294 HydrophobicContact CH2-CD1 3.14Å; W290-L294 HydrophobicContact CH2-CG 4.49Å; W290-L294 HydrophobicContact CZ2-CD1 3.31Å; W290-L294 HydrophobicContact CZ2-CG 4.34Å; W290-L294 HydrophobicContact CZ3-CD1 3.39Å; W290-L294 PolarHBondContact O-N 3.29Å |
| 291 | L | 84.3 | Confident | 77.6 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.5 | -176.6 | 68.7 | 0 | 0 | 0 | 111.7 | A136 V139 R287 A288 D289 G295 | A136-L291 HydrophobicContact CB-CD1 3.78Å; V139-L291 HydrophobicContact CB-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD1 4.37Å; V139-L291 HydrophobicContact CG1-CD2 4.06Å; R287-L291 WeakPolarHBondContact O-CB 3.36Å; R287-L291 PolarHBondContact O-N 3.26Å; A288-L291 PolarHBondContact O-N 3.01Å; D289-L291 PolarHBondContact O-N 2.9Å; L291-G295 PolarHBondContact O-N 3.39Å |
| 292 | A | 83.3 | Confident | 77.2 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 31% | 0.306 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A288 D289 W290 L294 G295 T296 | A288-A292 VanDerWaalsContact O-CB 3.32Å; A288-A292 WeakPolarHBondContact O-CB 3.43Å; A288-A292 PolarHBondContact O-N 3.11Å; D289-A292 PolarHBondContact O-N 3.41Å; W290-A292 PolarHBondContact O-N 2.92Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.96Å; A292-G295 PolarHBondContact O-N 3.38Å; A292-T296 WeakPolarHBondContact O-CG2 3.29Å; A292-T296 PolarHBondContact O-N 3.06Å; A292-T296 VanDerWaalsContact O-N 3.12Å; A292-T296 PolarHBondContact O-OG1 2.92Å; A292-T296 VanDerWaalsContact O-OG1 3.04Å |
| 293 | R | 86.6 | Confident | 77.1 | Confident | 161 Ų | 161 | 77.8 Ų | 77.8 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.9 | -42.7 | 179.7 | -72.1 | 174.2 | -168.3 | -152.6 | 7.1 | 112.9 | D289 W290 T296 A297 | D289-R293 VanDerWaalsContact CG-NE 3.27Å; D289-R293 VanDerWaalsContact O-CG 3.27Å; D289-R293 WeakPolarHBondContact O-CG 3.38Å; D289-R293 PolarHBondContact O-N 3.19Å; D289-R293 IonicContact OD1-CZ 3.68Å; D289-R293 IonicContact OD1-NE 2.99Å; D289-R293 PolarHBondContact OD1-NE 3.29Å; D289-R293 IonicContact OD1-NH2 3.32Å; D289-R293 PolarHBondContact OD1-NH2 2.93Å; D289-R293 IonicContact OD2-CZ 3.53Å; D289-R293 IonicContact OD2-NE 3.72Å; D289-R293 PolarHBondContact OD2-NE 3.37Å; D289-R293 IonicContact OD2-NH2 3.75Å; D289-R293 PolarHBondContact OD2-NH2 2.8Å; W290-R293 PolarHBondContact O-N 3.31Å; R293-T296 PolarHBondContact O-OG1 2.94Å; R293-A297 PolarHBondContact O-N 3.17Å |
| 294 | L | 80.4 | Confident | 77.1 | Confident | 20 Ų | 20 | 80.3 Ų | 80.3 | 11% | 0.105 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 176.2 | -78.2 | 178.8 | 0 | 0 | 0 | 112.4 | L129 Q132 A136 W290 A292 T296 A297 | L129-L294 HydrophobicContact CD1-CD2 4.09Å; Q132-L294 HydrophobicContact CB-CD1 4.28Å; A136-L294 HydrophobicContact CB-CB 3.99Å; W290-L294 HydrophobicContact CD2-CD1 3.94Å; W290-L294 HydrophobicContact CE3-CD1 3.78Å; W290-L294 HydrophobicContact CH2-CD1 3.14Å; W290-L294 HydrophobicContact CH2-CG 4.49Å; W290-L294 HydrophobicContact CZ2-CD1 3.31Å; W290-L294 HydrophobicContact CZ2-CG 4.34Å; W290-L294 HydrophobicContact CZ3-CD1 3.39Å; W290-L294 PolarHBondContact O-N 3.29Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.96Å; L294-T296 PolarHBondContact O-N 3.43Å; L294-A297 PolarHBondContact O-N 2.98Å |
| 295 | G | 73.4 | Confident | 76.5 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -65.4 | -21.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L291 A292 | L291-G295 PolarHBondContact O-N 3.39Å; A292-G295 PolarHBondContact O-N 3.38Å |
| 296 | T | 73.2 | Confident | 75.8 | Confident | 91 Ų | 91 | 79.1 Ų | 79.1 | 56% | 0.558 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -3.3 | -178.4 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | A292 R293 L294 S298 A299 | A292-T296 WeakPolarHBondContact O-CG2 3.29Å; A292-T296 PolarHBondContact O-N 3.06Å; A292-T296 VanDerWaalsContact O-N 3.12Å; A292-T296 PolarHBondContact O-OG1 2.92Å; A292-T296 VanDerWaalsContact O-OG1 3.04Å; R293-T296 PolarHBondContact O-OG1 2.94Å; L294-T296 PolarHBondContact O-N 3.43Å; T296-S298 PolarHBondContact O-N 3.25Å; T296-S298 VanDerWaalsContact O-N 3.12Å; T296-A299 PolarHBondContact O-N 2.75Å |
| 297 | A | 57.7 | Low | 75.1 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R293 L294 | R293-A297 PolarHBondContact O-N 3.17Å; L294-A297 PolarHBondContact O-N 2.98Å |
| 298 | S | 50 | Low | 74 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 20.3 | -179.2 | 20 | 0 | 0 | 0 | 0 | 114.2 | E133 T296 | E133-S298 WeakPolarHBondContact OE2-CB 3.25Å; E133-S298 PolarHBondContact OE2-OG 3Å; T296-S298 PolarHBondContact O-N 3.25Å; T296-S298 VanDerWaalsContact O-N 3.12Å |
| 299 | A | 39.5 | Very low | 73 | Confident | 156 Ų | 156 | 76.2 Ų | 76.2 | 100% | 1.289 | 46% | 0.46 | S | S | * | . | trans | -92.8 | 0 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T296 | T296-A299 PolarHBondContact O-N 2.75Š|
Retrieved 299 of 299 residues in 1636 ms
(Link to these results)