| 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 | 72.9 | Confident | 95.6 | Very high | 171 Ų | 171 | 69.6 Ų | 69.6 | 84% | 0.842 | 39% | 0.391 | S | S | * | . | 0 | 141.3 | 0 | -173.8 | 178.6 | -88.1 | 0 | 0 | 107.3 | K129 L133 | M1-K129 HydrophobicContact SD-CG 4.18Å; M1-L133 WeakPolarHBondContact O-CD2 3.43Å | |||
| 2 | S | 93.2 | Very high | 95.9 | Very high | 84 Ų | 84 | 71 Ų | 71 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | trans | -147.6 | 161.3 | 177.2 | 61 | 0 | 0 | 0 | 0 | 110.7 | K129 | S2-K129 WeakPolarHBondContact O-CE 3.26Å; S2-K129 PolarHBondContact O-NZ 3.43Å | ||
| 3 | L | 97.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | trans | -88.3 | 128.9 | 172.1 | -68 | 163.8 | 0 | 0 | 0 | 110.1 | E7 K8 I75 K129 F130 L133 | L3-E7 HydrophobicContact CB-CB 4.38Å; L3-E7 HydrophobicContact CD2-CB 3.75Å; L3-K8 HydrophobicContact CB-CG 3.79Å; L3-K8 HydrophobicContact CD1-CG 4.34Å; L3-I75 HydrophobicContact CD1-CD1 3.81Å; L3-I75 HydrophobicContact CD1-CG1 3.65Å; L3-K129 HydrophobicContact CD2-CB 3.89Å; L3-F130 HydrophobicContact CD1-CB 4.14Å; L3-F130 HydrophobicContact CD1-CD2 4.14Å; L3-F130 HydrophobicContact CD2-CB 4.37Å; L3-L133 HydrophobicContact CB-CD1 4.49Å; L3-L133 HydrophobicContact CD1-CD1 3.96Å; L3-L133 HydrophobicContact CG-CD1 3.64Å | ||
| 4 | S | 98.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | trans | -67.7 | 162.4 | 165.5 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | K6 E7 K8 | S4-K6 PolarHBondContact O-N 3.21Å; S4-E7 WeakPolarHBondContact CB-OE2 3.48Å; S4-E7 PolarHBondContact N-OE2 2.93Å; S4-E7 PolarHBondContact O-N 3.14Å; S4-E7 VanDerWaalsContact O-N 3.14Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.25Å; S4-E7 PolarHBondContact OG-N 2.71Å; S4-E7 PolarHBondContact OG-OE2 3.39Å; S4-K8 WeakPolarHBondContact O-CG 3.2Å; S4-K8 PolarHBondContact O-N 2.86Å | ||
| 5 | A | 98.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 64.2 Ų | 64.2 | 67% | 0.669 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -55.6 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K8 V9 | A5-K8 PolarHBondContact O-N 2.77Å; A5-V9 WeakPolarHBondContact O-CG2 3.39Å; A5-V9 PolarHBondContact O-N 2.81Å; A5-V9 VanDerWaalsContact O-N 3.15Å |
| 6 | K | 98.3 | Very high | 96.6 | Very high | 161 Ų | 161 | 64.1 Ų | 64.1 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 176.6 | -176.1 | 177.2 | 178.6 | 179 | 0 | 111.9 | S4 K8 V9 I10 | S4-K6 PolarHBondContact O-N 3.21Å; K6-K8 VanDerWaalsContact C-N 3.33Å; K6-K8 PolarHBondContact O-N 2.99Å; K6-V9 PolarHBondContact O-N 3.36Å; K6-I10 HydrophobicContact CG-CD1 4.07Å; K6-I10 WeakPolarHBondContact O-CG1 3.24Å; K6-I10 PolarHBondContact O-N 3.48Å |
| 7 | E | 98.6 | Very high | 96.7 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 179 | -69.9 | 162.5 | 140 | 0 | 0 | 111.8 | L3 S4 V9 I10 V11 A126 K129 | L3-E7 HydrophobicContact CB-CB 4.38Å; L3-E7 HydrophobicContact CD2-CB 3.75Å; S4-E7 WeakPolarHBondContact CB-OE2 3.48Å; S4-E7 PolarHBondContact N-OE2 2.93Å; S4-E7 PolarHBondContact O-N 3.14Å; S4-E7 VanDerWaalsContact O-N 3.14Å; S4-E7 VanDerWaalsContact OG-CD 3.28Å; S4-E7 VanDerWaalsContact OG-CG 3.25Å; S4-E7 WeakPolarHBondContact OG-CG 3.25Å; S4-E7 PolarHBondContact OG-N 2.71Å; S4-E7 PolarHBondContact OG-OE2 3.39Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.18Å; E7-I10 PolarHBondContact O-N 3.27Å; E7-V11 VanDerWaalsContact O-CG2 3.28Å; E7-V11 WeakPolarHBondContact O-CG2 3.4Å; E7-V11 PolarHBondContact O-N 3.15Å; E7-A126 HydrophobicContact CB-CB 4.2Å; E7-A126 HydrophobicContact CG-CB 4.24Å; E7-K129 VanDerWaalsContact OE1-CD 3.24Å; E7-K129 WeakPolarHBondContact OE1-CD 3.36Å; E7-K129 WeakPolarHBondContact OE1-CE 3.4Å; E7-K129 IonicContact OE1-NZ 2.71Å; E7-K129 PolarHBondContact OE1-NZ 3.37Å; E7-K129 IonicContact OE2-NZ 2.86Å; E7-K129 PolarHBondContact OE2-NZ 3.45Å |
| 8 | K | 98.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 21% | 0.213 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 173.9 | -68.4 | 177.8 | 177.2 | -175.6 | 0 | 112 | L3 S4 A5 K6 V11 K12 I75 D76 | L3-K8 HydrophobicContact CB-CG 3.79Å; L3-K8 HydrophobicContact CD1-CG 4.34Å; S4-K8 WeakPolarHBondContact O-CG 3.2Å; S4-K8 PolarHBondContact O-N 2.86Å; A5-K8 PolarHBondContact O-N 2.77Å; K6-K8 VanDerWaalsContact C-N 3.33Å; K6-K8 PolarHBondContact O-N 2.99Å; K8-V11 PolarHBondContact O-N 2.7Å; K8-K12 WeakPolarHBondContact O-CG 3.45Å; K8-K12 PolarHBondContact O-N 3.07Å; K8-I75 HydrophobicContact CB-CD1 4.24Å; K8-I75 HydrophobicContact CB-CG2 4.43Å; K8-I75 HydrophobicContact CD-CG2 4.36Å; K8-I75 HydrophobicContact CG-CD1 4.17Å; K8-I75 HydrophobicContact CG-CG1 4.2Å; K8-I75 HydrophobicContact CG-CG2 4.32Å; K8-D76 WeakPolarHBondContact CD-OD1 3.43Å; K8-D76 IonicContact NZ-OD1 2.75Å; K8-D76 PolarHBondContact NZ-OD1 3.02Å |
| 9 | V | 98.8 | Very high | 96.8 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | A5 K6 E7 V11 K12 D13 | A5-V9 WeakPolarHBondContact O-CG2 3.39Å; A5-V9 PolarHBondContact O-N 2.81Å; A5-V9 VanDerWaalsContact O-N 3.15Å; K6-V9 PolarHBondContact O-N 3.36Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.18Å; V9-V11 VanDerWaalsContact C-N 3.3Å; V9-V11 PolarHBondContact O-N 3.27Å; V9-K12 PolarHBondContact O-N 3.1Å; V9-K12 VanDerWaalsContact O-N 3.16Å; V9-D13 VanDerWaalsContact CG1-OD2 3.31Å; V9-D13 WeakPolarHBondContact CG1-OD2 3.35Å; V9-D13 WeakPolarHBondContact O-CB 3.35Å; V9-D13 VanDerWaalsContact O-CG 3.3Å; V9-D13 PolarHBondContact O-N 3Å |
| 10 | I | 98.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.195 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.7 | -46.5 | 177.4 | -70.1 | 167.9 | 0 | 0 | 0 | 111.3 | K6 E7 F14 I123 A126 | K6-I10 HydrophobicContact CG-CD1 4.07Å; K6-I10 WeakPolarHBondContact O-CG1 3.24Å; K6-I10 PolarHBondContact O-N 3.48Å; E7-I10 PolarHBondContact O-N 3.27Å; I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 2.98Å; I10-I123 HydrophobicContact CG2-CB 4.41Å; I10-I123 HydrophobicContact CG2-CG1 3.75Å; I10-A126 HydrophobicContact CB-CB 4.05Å; I10-A126 HydrophobicContact CG2-CB 3.59Å |
| 11 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | 178.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | E7 K8 V9 D13 F14 F15 V72 I75 A126 F130 | E7-V11 VanDerWaalsContact O-CG2 3.28Å; E7-V11 WeakPolarHBondContact O-CG2 3.4Å; E7-V11 PolarHBondContact O-N 3.15Å; K8-V11 PolarHBondContact O-N 2.7Å; V9-V11 VanDerWaalsContact C-N 3.3Å; V9-V11 PolarHBondContact O-N 3.27Å; V11-D13 PolarHBondContact O-N 3.42Å; V11-F14 PolarHBondContact O-N 3.27Å; V11-F15 HydrophobicContact CG1-CD2 3.85Å; V11-F15 HydrophobicContact CG1-CE2 4.19Å; V11-F15 WeakPolarHBondContact O-CB 3.33Å; V11-F15 WeakPolarHBondContact O-CD2 3.34Å; V11-F15 PolarHBondContact O-N 2.92Å; V11-V72 HydrophobicContact CG1-CG2 4.12Å; V11-I75 HydrophobicContact CB-CD1 3.84Å; V11-I75 HydrophobicContact CG1-CD1 3.64Å; V11-I75 HydrophobicContact CG2-CD1 4.45Å; V11-A126 HydrophobicContact CG2-CB 4.11Å; V11-A126 WeakPolarHBondContact CG2-O 3.3Å; V11-F130 HydrophobicContact CG1-CB 4.25Å; V11-F130 HydrophobicContact CG1-CD1 3.89Å; V11-F130 HydrophobicContact CG1-CD2 4.05Å; V11-F130 HydrophobicContact CG1-CE1 4.23Å; V11-F130 HydrophobicContact CG1-CE2 4.38Å; V11-F130 HydrophobicContact CG1-CG 3.79Å; V11-F130 HydrophobicContact CG1-CZ 4.46Å; V11-F130 HydrophobicContact CG2-CB 3.79Å; V11-F130 HydrophobicContact CG2-CG 4.25Å |
| 12 | K | 98.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 179.4 | -74.1 | -179.7 | -174.3 | -175.3 | 0 | 111.8 | K8 V9 A16 V72 | K8-K12 WeakPolarHBondContact O-CG 3.45Å; K8-K12 PolarHBondContact O-N 3.07Å; V9-K12 PolarHBondContact O-N 3.1Å; V9-K12 VanDerWaalsContact O-N 3.16Å; K12-A16 WeakPolarHBondContact O-CB 3.4Å; K12-A16 PolarHBondContact O-N 3.07Å; K12-V72 HydrophobicContact CG-CG1 4.05Å |
| 13 | D | 98.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 59 Ų | 59 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | -177.8 | -67.2 | -12.6 | 0 | 0 | 0 | 111.5 | V9 V11 A16 K17 | V9-D13 VanDerWaalsContact CG1-OD2 3.31Å; V9-D13 WeakPolarHBondContact CG1-OD2 3.35Å; V9-D13 WeakPolarHBondContact O-CB 3.35Å; V9-D13 VanDerWaalsContact O-CG 3.3Å; V9-D13 PolarHBondContact O-N 3Å; V11-D13 PolarHBondContact O-N 3.42Å; D13-A16 PolarHBondContact O-N 3.11Å; D13-K17 PolarHBondContact O-N 3.48Å |
| 14 | F | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.035 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 178.7 | -176.3 | -105.9 | 0 | 0 | 0 | 111.8 | I10 V11 A16 K17 V18 L111 E118 F119 I123 V127 | I10-F14 WeakPolarHBondContact O-CB 3.37Å; I10-F14 PolarHBondContact O-N 2.98Å; V11-F14 PolarHBondContact O-N 3.27Å; F14-A16 VanDerWaalsContact C-N 3.31Å; F14-A16 PolarHBondContact O-N 3.24Å; F14-K17 WeakPolarHBondContact O-CB 3.33Å; F14-K17 PolarHBondContact O-N 3.49Å; F14-K17 VanDerWaalsContact O-N 3.11Å; F14-V18 HydrophobicContact CD2-CG1 4.45Å; F14-V18 HydrophobicContact CE1-CG1 4.03Å; F14-V18 HydrophobicContact CE2-CG1 3.93Å; F14-V18 HydrophobicContact CZ-CG1 3.68Å; F14-V18 PolarHBondContact O-N 2.88Å; F14-L111 HydrophobicContact CE1-CB 4.48Å; F14-L111 HydrophobicContact CE1-CD1 4.06Å; F14-L111 HydrophobicContact CE1-CD2 3.92Å; F14-L111 HydrophobicContact CE1-CG 4.37Å; F14-L111 HydrophobicContact CZ-CB 4.49Å; F14-L111 HydrophobicContact CZ-CD2 4.26Å; F14-E118 HydrophobicContact CE2-CB 4.13Å; F14-F119 AromaticContact CE1-CD2 3.84Å; F14-F119 HydrophobicContact CE1-CD2 3.84Å; F14-F119 AromaticContact CE1-CE2 4Å; F14-F119 HydrophobicContact CE1-CE2 4Å; F14-F119 HydrophobicContact CE2-CD2 4.13Å; F14-F119 AromaticContact CZ-CD2 3.49Å; F14-F119 HydrophobicContact CZ-CD2 3.49Å; F14-F119 VanDerWaalsContact CZ-CD2 3.49Å; F14-F119 HydrophobicContact CZ-CE2 4.12Å; F14-F119 HydrophobicContact CZ-CG 4.5Å; F14-I123 HydrophobicContact CB-CG2 4.29Å; F14-I123 HydrophobicContact CD1-CG2 3.93Å; F14-I123 HydrophobicContact CD2-CD1 3.97Å; F14-I123 HydrophobicContact CD2-CG2 3.66Å; F14-I123 HydrophobicContact CE1-CG2 4.17Å; F14-I123 HydrophobicContact CE2-CG2 3.92Å; F14-I123 HydrophobicContact CG-CG2 3.67Å; F14-I123 HydrophobicContact CZ-CG2 4.18Å; F14-V127 HydrophobicContact CD1-CG2 3.91Å; F14-V127 HydrophobicContact CE1-CG2 4.37Å |
| 15 | F | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -33.5 | 176.6 | -87.1 | -88.7 | 0 | 0 | 0 | 112.4 | V11 K17 V18 S19 M65 V68 Y69 V72 V127 F130 | V11-F15 HydrophobicContact CG1-CD2 3.85Å; V11-F15 HydrophobicContact CG1-CE2 4.19Å; V11-F15 WeakPolarHBondContact O-CB 3.33Å; V11-F15 WeakPolarHBondContact O-CD2 3.34Å; V11-F15 PolarHBondContact O-N 2.92Å; F15-K17 VanDerWaalsContact C-N 3.34Å; F15-V18 HydrophobicContact CD1-CG2 4.47Å; F15-S19 PolarHBondContact O-N 3.46Å; F15-M65 HydrophobicContact CE1-CE 4.06Å; F15-V68 HydrophobicContact CD1-CG1 4.24Å; F15-V68 HydrophobicContact CE1-CG1 3.39Å; F15-V68 HydrophobicContact CZ-CG1 3.67Å; F15-Y69 HydrophobicContact CB-CE1 3.99Å; F15-Y69 AromaticContact CD1-CE1 3.98Å; F15-Y69 HydrophobicContact CD1-CE1 3.98Å; F15-Y69 AromaticContact CD1-CZ 3.94Å; F15-Y69 HydrophobicContact CG-CE1 4.5Å; F15-Y69 WeakPolarHBondContact O-CE1 3.31Å; F15-Y69 PolarHBondContact O-OH 3.3Å; F15-V72 HydrophobicContact CB-CG1 4.38Å; F15-V72 HydrophobicContact CB-CG2 4.03Å; F15-V72 HydrophobicContact CD1-CG2 4.15Å; F15-V72 HydrophobicContact CD2-CG2 3.89Å; F15-V72 HydrophobicContact CE2-CG2 4.39Å; F15-V72 HydrophobicContact CG-CG2 3.75Å; F15-V127 HydrophobicContact CE2-CG1 4.4Å; F15-V127 HydrophobicContact CE2-CG2 4.28Å; F15-F130 HydrophobicContact CE2-CD1 4.1Å; F15-F130 HydrophobicContact CE2-CE1 4.03Å; F15-F130 HydrophobicContact CZ-CE1 4.18Å |
| 16 | A | 98.6 | Very high | 98.4 | Very high | 63 Ų | 63 | 56 Ų | 56 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K12 D13 F14 S19 | K12-A16 WeakPolarHBondContact O-CB 3.4Å; K12-A16 PolarHBondContact O-N 3.07Å; D13-A16 PolarHBondContact O-N 3.11Å; F14-A16 VanDerWaalsContact C-N 3.31Å; F14-A16 PolarHBondContact O-N 3.24Å; A16-S19 WeakPolarHBondContact O-CB 3.5Å; A16-S19 PolarHBondContact O-N 2.87Å; A16-S19 PolarHBondContact O-OG 3Å |
| 17 | K | 98.2 | Very high | 98.4 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 179.4 | -178 | 168.2 | 179.6 | 172.7 | 0 | 113.3 | D13 F14 F15 S19 E118 | D13-K17 PolarHBondContact O-N 3.48Å; F14-K17 WeakPolarHBondContact O-CB 3.33Å; F14-K17 PolarHBondContact O-N 3.49Å; F14-K17 VanDerWaalsContact O-N 3.11Å; F15-K17 VanDerWaalsContact C-N 3.34Å; K17-S19 VanDerWaalsContact C-N 3.34Å; K17-E118 HydrophobicContact CD-CG 4.07Å; K17-E118 VanDerWaalsContact CE-CG 3.49Å; K17-E118 WeakPolarHBondContact CE-OE1 3.17Å; K17-E118 IonicContact NZ-OE1 2.7Å; K17-E118 PolarHBondContact NZ-OE1 2.92Å |
| 18 | V | 98 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -88.5 | 0.2 | -176.5 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | F14 F15 S20 R21 I25 L111 F115 | F14-V18 HydrophobicContact CD2-CG1 4.45Å; F14-V18 HydrophobicContact CE1-CG1 4.03Å; F14-V18 HydrophobicContact CE2-CG1 3.93Å; F14-V18 HydrophobicContact CZ-CG1 3.68Å; F14-V18 PolarHBondContact O-N 2.88Å; F15-V18 HydrophobicContact CD1-CG2 4.47Å; V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.31Å; V18-R21 PolarHBondContact O-N 2.99Å; V18-I25 HydrophobicContact CB-CD1 4.06Å; V18-I25 HydrophobicContact CG2-CD1 4.1Å; V18-L111 HydrophobicContact CG1-CD2 4.44Å; V18-L111 HydrophobicContact CG2-CD2 4.12Å; V18-F115 HydrophobicContact CB-CD2 4.22Å; V18-F115 HydrophobicContact CB-CE1 4.14Å; V18-F115 HydrophobicContact CB-CE2 3.59Å; V18-F115 HydrophobicContact CB-CZ 3.51Å; V18-F115 HydrophobicContact CG1-CD1 3.85Å; V18-F115 HydrophobicContact CG1-CD2 3.58Å; V18-F115 HydrophobicContact CG1-CE1 3.7Å; V18-F115 HydrophobicContact CG1-CE2 3.45Å; V18-F115 VanDerWaalsContact CG1-CE2 3.45Å; V18-F115 HydrophobicContact CG1-CG 3.77Å; V18-F115 HydrophobicContact CG1-CZ 3.49Å; V18-F115 VanDerWaalsContact CG1-CZ 3.49Å |
| 19 | S | 97.4 | Very high | 98.4 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -55.5 | -37.3 | -174.3 | 61 | 0 | 0 | 0 | 0 | 114.9 | F15 A16 K17 R21 S22 Y69 | F15-S19 PolarHBondContact O-N 3.46Å; A16-S19 WeakPolarHBondContact O-CB 3.5Å; A16-S19 PolarHBondContact O-N 2.87Å; A16-S19 PolarHBondContact O-OG 3Å; K17-S19 VanDerWaalsContact C-N 3.34Å; S19-R21 PolarHBondContact O-N 3.16Å; S19-R21 VanDerWaalsContact O-N 3.14Å; S19-S22 VanDerWaalsContact O-CB 3.31Å; S19-S22 WeakPolarHBondContact O-CB 3.49Å; S19-S22 PolarHBondContact O-N 2.97Å; S19-S22 VanDerWaalsContact O-N 3.13Å; S19-Y69 VanDerWaalsContact CA-OH 3.23Å; S19-Y69 WeakPolarHBondContact CA-OH 3.47Å; S19-Y69 PolarHBondContact N-OH 3.28Å |
| 20 | S | 96.8 | Very high | 98.4 | Very high | 109 Ų | 109 | 44 Ų | 44 | 76% | 0.762 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -64 | -18.4 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | V18 | V18-S20 VanDerWaalsContact C-N 3.31Å; V18-S20 PolarHBondContact O-N 3.31Å |
| 21 | R | 98.1 | Very high | 98.4 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -112.4 | 15 | 178.2 | -58.7 | -174.5 | 72.1 | -178.4 | 7.3 | 112.9 | V18 S19 D23 E24 I25 L114 F115 | V18-R21 PolarHBondContact O-N 2.99Å; S19-R21 PolarHBondContact O-N 3.16Å; S19-R21 VanDerWaalsContact O-N 3.14Å; R21-D23 VanDerWaalsContact C-N 3.25Å; R21-D23 PolarHBondContact O-N 2.9Å; R21-E24 IonicContact CZ-OE1 3.19Å; R21-E24 IonicContact CZ-OE2 2.93Å; R21-E24 IonicContact NE-OE2 2.74Å; R21-E24 PolarHBondContact NE-OE2 3.3Å; R21-E24 IonicContact NH2-OE1 2.81Å; R21-E24 PolarHBondContact NH2-OE1 3.48Å; R21-E24 IonicContact NH2-OE2 3.8Å; R21-E24 PolarHBondContact NH2-OE2 2.92Å; R21-E24 PolarHBondContact O-N 2.92Å; R21-E24 VanDerWaalsContact O-N 3.13Å; R21-I25 HydrophobicContact CB-CD1 4.28Å; R21-I25 HydrophobicContact CB-CG1 4.48Å; R21-I25 WeakPolarHBondContact O-CD1 3.41Å; R21-I25 VanDerWaalsContact O-CG1 3.26Å; R21-I25 WeakPolarHBondContact O-CG1 3.4Å; R21-I25 PolarHBondContact O-N 3.44Å; R21-L114 PolarHBondContact NH1-O 3.47Å; R21-F115 HydrophobicContact CB-CZ 4.15Å; R21-F115 HydrophobicContact CG-CZ 4.21Å |
| 22 | S | 98.2 | Very high | 98.4 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -49.4 | -45.8 | -179.4 | 175.6 | 0 | 0 | 0 | 0 | 112.8 | S19 E24 I25 G26 M65 Y69 | S19-S22 VanDerWaalsContact O-CB 3.31Å; S19-S22 WeakPolarHBondContact O-CB 3.49Å; S19-S22 PolarHBondContact O-N 2.97Å; S19-S22 VanDerWaalsContact O-N 3.13Å; S22-E24 PolarHBondContact O-N 3.31Å; S22-I25 PolarHBondContact O-N 3.03Å; S22-G26 PolarHBondContact O-N 3.27Å; S22-M65 WeakPolarHBondContact OG-CB 3.46Å; S22-Y69 VanDerWaalsContact OG-CE2 3.3Å; S22-Y69 WeakPolarHBondContact OG-CE2 3.33Å |
| 23 | D | 98.2 | Very high | 98.4 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.4 | -41.2 | -177.2 | -69.8 | 6.9 | 0 | 0 | 0 | 112.5 | R21 A27 I62 | R21-D23 VanDerWaalsContact C-N 3.25Å; R21-D23 PolarHBondContact O-N 2.9Å; D23-A27 VanDerWaalsContact O-CB 3.28Å; D23-A27 WeakPolarHBondContact O-CB 3.28Å; D23-A27 PolarHBondContact O-N 2.86Å; D23-I62 HydrophobicContact CB-CD1 4.13Å; D23-I62 HydrophobicContact CB-CG1 3.82Å |
| 24 | E | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -45.7 | 176.8 | -174.6 | -178 | -177.8 | 0 | 0 | 110.9 | R21 S22 G26 A27 E28 L114 | R21-E24 IonicContact CZ-OE1 3.19Å; R21-E24 IonicContact CZ-OE2 2.93Å; R21-E24 IonicContact NE-OE2 2.74Å; R21-E24 PolarHBondContact NE-OE2 3.3Å; R21-E24 IonicContact NH2-OE1 2.81Å; R21-E24 PolarHBondContact NH2-OE1 3.48Å; R21-E24 IonicContact NH2-OE2 3.8Å; R21-E24 PolarHBondContact NH2-OE2 2.92Å; R21-E24 PolarHBondContact O-N 2.92Å; R21-E24 VanDerWaalsContact O-N 3.13Å; S22-E24 PolarHBondContact O-N 3.31Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 PolarHBondContact O-N 3.33Å; E24-A27 PolarHBondContact O-N 2.82Å; E24-E28 WeakPolarHBondContact O-CB 3.31Å; E24-E28 PolarHBondContact O-N 3.42Å; E24-L114 HydrophobicContact CG-CD1 4.28Å |
| 25 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.2 | -49.6 | 177.8 | -65.6 | 159.1 | 0 | 0 | 0 | 110.3 | V18 R21 S22 A29 M65 V110 L111 L114 F115 | V18-I25 HydrophobicContact CB-CD1 4.06Å; V18-I25 HydrophobicContact CG2-CD1 4.1Å; R21-I25 HydrophobicContact CB-CD1 4.28Å; R21-I25 HydrophobicContact CB-CG1 4.48Å; R21-I25 WeakPolarHBondContact O-CD1 3.41Å; R21-I25 VanDerWaalsContact O-CG1 3.26Å; R21-I25 WeakPolarHBondContact O-CG1 3.4Å; R21-I25 PolarHBondContact O-N 3.44Å; S22-I25 PolarHBondContact O-N 3.03Å; I25-A29 WeakPolarHBondContact O-CB 3.45Å; I25-A29 PolarHBondContact O-N 2.85Å; I25-M65 HydrophobicContact CG2-CE 3.99Å; I25-M65 HydrophobicContact CG2-CG 4.49Å; I25-M65 HydrophobicContact CG2-SD 3.86Å; I25-V110 HydrophobicContact CB-CG1 4.34Å; I25-V110 HydrophobicContact CG1-CG1 4.35Å; I25-V110 HydrophobicContact CG2-CG1 4.22Å; I25-L111 HydrophobicContact CD1-CD2 3.94Å; I25-L111 HydrophobicContact CG1-CD2 4.45Å; I25-L111 HydrophobicContact CG2-CD2 4.3Å; I25-L114 HydrophobicContact CG1-CD1 3.94Å; I25-F115 HydrophobicContact CD1-CE2 4.02Å |
| 26 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -46.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S22 E24 L30 G61 | S22-G26 PolarHBondContact O-N 3.27Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 PolarHBondContact O-N 3.33Å; G26-L30 WeakPolarHBondContact O-CB 3.43Å; G26-L30 PolarHBondContact O-N 3.38Å; G26-G61 VanDerWaalsContact C-CA 3.43Å; G26-G61 WeakPolarHBondContact CA-O 3.38Å; G26-G61 VanDerWaalsContact O-CA 3.28Å; G26-G61 WeakPolarHBondContact O-CA 3.33Å |
| 27 | A | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -46.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D23 E24 A31 R58 | D23-A27 VanDerWaalsContact O-CB 3.28Å; D23-A27 WeakPolarHBondContact O-CB 3.28Å; D23-A27 PolarHBondContact O-N 2.86Å; E24-A27 PolarHBondContact O-N 2.82Å; A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.3Å; A27-A31 PolarHBondContact O-N 3.06Å; A27-R58 HydrophobicContact CB-CB 4.3Å; A27-R58 HydrophobicContact CB-CG 4.08Å |
| 28 | E | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -40.4 | -178.5 | -166.8 | -179.5 | 160.6 | 0 | 0 | 112.1 | E24 L30 A31 R32 V110 | E24-E28 WeakPolarHBondContact O-CB 3.31Å; E24-E28 PolarHBondContact O-N 3.42Å; E28-L30 PolarHBondContact O-N 3.29Å; E28-A31 PolarHBondContact O-N 2.77Å; E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 IonicContact OE1-CZ 2.76Å; E28-R32 VanDerWaalsContact OE1-CZ 3.23Å; E28-R32 IonicContact OE1-NE 2.69Å; E28-R32 PolarHBondContact OE1-NE 3.37Å; E28-R32 IonicContact OE1-NH2 3.23Å; E28-R32 PolarHBondContact OE1-NH2 2.96Å; E28-V110 HydrophobicContact CB-CG1 4.17Å; E28-V110 HydrophobicContact CB-CG2 4Å; E28-V110 HydrophobicContact CG-CG1 4.49Å; E28-V110 HydrophobicContact CG-CG2 3.85Å |
| 29 | A | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I25 R32 L33 C106 I107 V110 | I25-A29 WeakPolarHBondContact O-CB 3.45Å; I25-A29 PolarHBondContact O-N 2.85Å; A29-R32 PolarHBondContact O-N 2.7Å; A29-L33 PolarHBondContact O-N 3.48Å; A29-C106 HydrophobicContact CB-CB 4.37Å; A29-C106 WeakPolarHBondContact O-CB 3.44Å; A29-I107 HydrophobicContact CB-CG1 3.79Å; A29-V110 HydrophobicContact CB-CG2 4.22Å |
| 30 | L | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 177.1 | -175.6 | 59.7 | 0 | 0 | 0 | 112.1 | G26 E28 R32 L33 I34 F44 W47 V57 H60 | G26-L30 WeakPolarHBondContact O-CB 3.43Å; G26-L30 PolarHBondContact O-N 3.38Å; E28-L30 PolarHBondContact O-N 3.29Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.33Å; L30-L33 HydrophobicContact CD1-CD2 3.95Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.07Å; L30-I34 HydrophobicContact CD1-CD1 4.13Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.44Å; L30-I34 VanDerWaalsContact O-N 3.08Å; L30-F44 HydrophobicContact CD1-CE1 4.45Å; L30-F44 HydrophobicContact CD1-CE2 4.16Å; L30-F44 HydrophobicContact CD1-CZ 3.82Å; L30-W47 HydrophobicContact CD2-CH2 4.05Å; L30-W47 HydrophobicContact CD2-CZ3 4.16Å; L30-V57 HydrophobicContact CB-CG1 4.35Å; L30-V57 HydrophobicContact CD2-CG1 4.29Å; L30-V57 WeakPolarHBondContact CD2-O 3.44Å; L30-V57 HydrophobicContact CG-CG1 4.14Å; L30-H60 HydrophobicContact CD2-CB 3.79Å |
| 31 | A | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 7% | 0.066 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A27 E28 I34 V35 P52 V57 | A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.3Å; A27-A31 PolarHBondContact O-N 3.06Å; E28-A31 PolarHBondContact O-N 2.77Å; A31-I34 PolarHBondContact O-N 2.9Å; A31-V35 WeakPolarHBondContact O-CB 3.48Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.35Å; A31-P52 HydrophobicContact CB-CB 3.88Å; A31-V57 HydrophobicContact CB-CG1 4.12Å |
| 32 | R | 98.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 44 Ų | 44 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.6 | -43 | 176.5 | -74.6 | 168.6 | 178.3 | -82.7 | -4.8 | 111.9 | E28 A29 L30 I34 V35 V36 C106 M113 | E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 VanDerWaalsContact O-CG 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.48Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 IonicContact OE1-CZ 2.76Å; E28-R32 VanDerWaalsContact OE1-CZ 3.23Å; E28-R32 IonicContact OE1-NE 2.69Å; E28-R32 PolarHBondContact OE1-NE 3.37Å; E28-R32 IonicContact OE1-NH2 3.23Å; E28-R32 PolarHBondContact OE1-NH2 2.96Å; A29-R32 PolarHBondContact O-N 2.7Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.33Å; R32-I34 PolarHBondContact O-N 3.24Å; R32-V35 PolarHBondContact O-N 3.39Å; R32-V36 VanDerWaalsContact O-CB 3.23Å; R32-V36 WeakPolarHBondContact O-CB 3.49Å; R32-V36 WeakPolarHBondContact O-CG2 3.37Å; R32-V36 PolarHBondContact O-N 3.36Å; R32-C106 HydrophobicContact CB-CB 4.26Å; R32-M113 PolarHBondContact NH2-SD 3.31Å |
| 33 | L | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.4 | -55.4 | 175.3 | -178.9 | 68.6 | 0 | 0 | 0 | 110.8 | A29 L30 V35 Y37 T40 F44 I102 L103 | A29-L33 PolarHBondContact O-N 3.48Å; L30-L33 HydrophobicContact CD1-CD2 3.95Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.07Å; L33-V35 PolarHBondContact O-N 2.89Å; L33-Y37 HydrophobicContact CD1-CD2 4.42Å; L33-Y37 CarbonylContact O-C 3.44Å; L33-Y37 WeakPolarHBondContact O-CA 3.33Å; L33-Y37 VanDerWaalsContact O-CB 3.3Å; L33-Y37 WeakPolarHBondContact O-CB 3.45Å; L33-Y37 PolarHBondContact O-N 2.85Å; L33-T40 HydrophobicContact CD1-CG2 3.78Å; L33-T40 HydrophobicContact CG-CG2 4.02Å; L33-T40 PolarHBondContact O-OG1 3.47Å; L33-F44 HydrophobicContact CD2-CE2 4.46Å; L33-I102 HydrophobicContact CD1-CB 3.88Å; L33-I102 HydrophobicContact CD1-CG2 3.38Å; L33-L103 HydrophobicContact CD1-CB 4.37Å; L33-L103 HydrophobicContact CD2-CB 4.25Å; L33-L103 HydrophobicContact CD2-CD1 4.2Å |
| 34 | I | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | -175.3 | -69.4 | 171.9 | 0 | 0 | 0 | 111.9 | L30 A31 R32 K41 F44 W47 L50 V57 | L30-I34 HydrophobicContact CD1-CD1 4.13Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.01Å; L30-I34 WeakPolarHBondContact O-CG1 3.4Å; L30-I34 PolarHBondContact O-N 3.44Å; L30-I34 VanDerWaalsContact O-N 3.08Å; A31-I34 PolarHBondContact O-N 2.9Å; R32-I34 PolarHBondContact O-N 3.24Å; I34-K41 HydrophobicContact CG2-CG 3.99Å; I34-K41 WeakPolarHBondContact O-CE 3.38Å; I34-F44 HydrophobicContact CD1-CD2 4.06Å; I34-F44 HydrophobicContact CD1-CE2 4.42Å; I34-F44 HydrophobicContact CD1-CG 4.38Å; I34-F44 HydrophobicContact CG1-CD2 4.02Å; I34-F44 HydrophobicContact CG1-CE2 4.25Å; I34-W47 HydrophobicContact CD1-CZ3 4.22Å; I34-L50 HydrophobicContact CD1-CD2 4.42Å; I34-L50 HydrophobicContact CG2-CB 4.07Å; I34-V57 HydrophobicContact CD1-CG1 4.42Å; I34-V57 HydrophobicContact CD1-CG2 3.99Å |
| 35 | V | 97.8 | Very high | 98 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -79.2 | -48.4 | -177 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | A31 R32 L33 P52 | A31-V35 WeakPolarHBondContact O-CB 3.48Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.35Å; R32-V35 PolarHBondContact O-N 3.39Å; L33-V35 PolarHBondContact O-N 2.89Å; V35-P52 HydrophobicContact CG2-CG 3.99Å |
| 36 | V | 98.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 52% | 0.521 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -81.1 | -30.9 | -172.7 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | R32 P38 | R32-V36 VanDerWaalsContact O-CB 3.23Å; R32-V36 WeakPolarHBondContact O-CB 3.49Å; R32-V36 WeakPolarHBondContact O-CG2 3.37Å; R32-V36 PolarHBondContact O-N 3.36Å; V36-P38 VanDerWaalsContact O-CD 3.25Å; V36-P38 WeakPolarHBondContact O-CD 3.36Å |
| 37 | Y | 98 | Very high | 97.9 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -119.4 | 74.4 | -177.8 | -57 | -83 | 0 | 0 | 0 | 110.3 | L33 Q39 T40 I102 H105 | L33-Y37 HydrophobicContact CD1-CD2 4.42Å; L33-Y37 CarbonylContact O-C 3.44Å; L33-Y37 WeakPolarHBondContact O-CA 3.33Å; L33-Y37 VanDerWaalsContact O-CB 3.3Å; L33-Y37 WeakPolarHBondContact O-CB 3.45Å; L33-Y37 PolarHBondContact O-N 2.85Å; Y37-Q39 VanDerWaalsContact CA-OE1 3.26Å; Y37-Q39 PolarHBondContact O-N 3.3Å; Y37-Q39 PolarHBondContact O-OE1 2.7Å; Y37-T40 WeakPolarHBondContact O-CB 3Å; Y37-T40 WeakPolarHBondContact O-CG2 3.14Å; Y37-T40 PolarHBondContact O-N 2.87Å; Y37-T40 PolarHBondContact O-OG1 3.02Å; Y37-I102 HydrophobicContact CD1-CD1 4.47Å; Y37-I102 HydrophobicContact CD1-CG2 3.59Å; Y37-I102 HydrophobicContact CD2-CG2 3.21Å; Y37-I102 HydrophobicContact CE1-CG2 3.88Å; Y37-I102 HydrophobicContact CE2-CG2 3.54Å; Y37-I102 HydrophobicContact CG-CG2 3.23Å; Y37-H105 PolarHBondContact OH-CD2 2.91Å | ||
| 38 | P | 95.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -62.2 | -19.8 | -169.8 | 25.8 | -35.8 | 0 | 0 | 0 | 114.5 | V36 T40 K41 | V36-P38 VanDerWaalsContact O-CD 3.25Å; V36-P38 WeakPolarHBondContact O-CD 3.36Å; P38-T40 PolarHBondContact O-N 3.3Å; P38-K41 HydrophobicContact CB-CD 4.26Å; P38-K41 VanDerWaalsContact O-CB 3.25Å; P38-K41 WeakPolarHBondContact O-CB 3.45Å; P38-K41 WeakPolarHBondContact O-CG 3.37Å; P38-K41 PolarHBondContact O-N 3.48Å |
| 39 | Q | 96.9 | Very high | 97.6 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -57.7 | -28.4 | 172.6 | 70.1 | -84.6 | 29.9 | 0 | 0 | 112.7 | Y37 K41 S42 | Y37-Q39 VanDerWaalsContact CA-OE1 3.26Å; Y37-Q39 PolarHBondContact O-N 3.3Å; Y37-Q39 PolarHBondContact O-OE1 2.7Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 2.88Å; Q39-S42 PolarHBondContact O-OG 3.28Å; Q39-S42 VanDerWaalsContact O-OG 3.09Å |
| 40 | T | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -73.8 | -16.6 | 179 | 67 | 0 | 0 | 0 | 0 | 113.4 | L33 Y37 P38 S42 Y43 F44 | L33-T40 HydrophobicContact CD1-CG2 3.78Å; L33-T40 HydrophobicContact CG-CG2 4.02Å; L33-T40 PolarHBondContact O-OG1 3.47Å; Y37-T40 WeakPolarHBondContact O-CB 3Å; Y37-T40 WeakPolarHBondContact O-CG2 3.14Å; Y37-T40 PolarHBondContact O-N 2.87Å; Y37-T40 PolarHBondContact O-OG1 3.02Å; P38-T40 PolarHBondContact O-N 3.3Å; T40-S42 PolarHBondContact O-N 3.44Å; T40-S42 VanDerWaalsContact O-N 3.16Å; T40-Y43 WeakPolarHBondContact O-CD2 3.34Å; T40-Y43 PolarHBondContact O-N 2.96Å; T40-F44 WeakPolarHBondContact O-CD2 3.42Å |
| 41 | K | 96.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 39% | 0.387 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -59.9 | -29 | -178.6 | -70.1 | -179.2 | 178.3 | -175.6 | 0 | 112.9 | I34 P38 Q39 Y43 F44 A45 L50 | I34-K41 HydrophobicContact CG2-CG 3.99Å; I34-K41 WeakPolarHBondContact O-CE 3.38Å; P38-K41 HydrophobicContact CB-CD 4.26Å; P38-K41 VanDerWaalsContact O-CB 3.25Å; P38-K41 WeakPolarHBondContact O-CB 3.45Å; P38-K41 WeakPolarHBondContact O-CG 3.37Å; P38-K41 PolarHBondContact O-N 3.48Å; Q39-K41 VanDerWaalsContact C-N 3.27Å; Q39-K41 PolarHBondContact O-N 2.88Å; K41-Y43 VanDerWaalsContact C-N 3.28Å; K41-Y43 PolarHBondContact O-N 3.12Å; K41-F44 CarbonylContact O-C 3.59Å; K41-F44 PolarHBondContact O-N 3.23Å; K41-A45 PolarHBondContact O-N 2.93Å; K41-A45 VanDerWaalsContact O-N 3.14Å; K41-L50 HydrophobicContact CB-CD1 4.46Å |
| 42 | S | 97.3 | Very high | 97.2 | Very high | 78 Ų | 78 | 69.5 Ų | 69.5 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -57.2 | -39.3 | -178.9 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | Q39 T40 F44 A45 | Q39-S42 PolarHBondContact O-OG 3.28Å; Q39-S42 VanDerWaalsContact O-OG 3.09Å; T40-S42 PolarHBondContact O-N 3.44Å; T40-S42 VanDerWaalsContact O-N 3.16Å; S42-F44 PolarHBondContact O-N 3.47Å; S42-A45 WeakPolarHBondContact O-CB 3.48Å; S42-A45 PolarHBondContact O-N 2.94Å |
| 43 | Y | 98.2 | Very high | 97 | Very high | 71 Ų | 71 | 72.8 Ų | 72.8 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -66.3 | -19.5 | 177.3 | -55.7 | -65.6 | 0 | 0 | 0 | 113.4 | T40 K41 H46 V95 D96 N99 | T40-Y43 WeakPolarHBondContact O-CD2 3.34Å; T40-Y43 PolarHBondContact O-N 2.96Å; K41-Y43 VanDerWaalsContact C-N 3.28Å; K41-Y43 PolarHBondContact O-N 3.12Å; Y43-H46 PolarHBondContact O-CE1 3.39Å; Y43-V95 HydrophobicContact CD1-CB 4.5Å; Y43-V95 HydrophobicContact CD1-CG2 3.97Å; Y43-V95 HydrophobicContact CE1-CB 4.28Å; Y43-V95 HydrophobicContact CE1-CG1 4.4Å; Y43-V95 HydrophobicContact CE1-CG2 4.24Å; Y43-V95 HydrophobicContact CE2-CG1 4.37Å; Y43-V95 HydrophobicContact CG-CG2 4.38Å; Y43-D96 WeakPolarHBondContact OH-CB 3.38Å; Y43-D96 PolarHBondContact OH-N 3.38Å; Y43-N99 VanDerWaalsContact CE2-ND2 3.33Å; Y43-N99 WeakPolarHBondContact CE2-ND2 3.37Å; Y43-N99 PolarHBondContact OH-ND2 2.89Å; Y43-N99 VanDerWaalsContact OH-ND2 3.14Å |
| 44 | F | 98.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 72.3 Ų | 72.3 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -113.4 | 11.6 | -177.6 | -53.4 | -71.5 | 0 | 0 | 0 | 113.1 | L30 L33 I34 T40 K41 S42 H46 W47 L50 H60 | L30-F44 HydrophobicContact CD1-CE1 4.45Å; L30-F44 HydrophobicContact CD1-CE2 4.16Å; L30-F44 HydrophobicContact CD1-CZ 3.82Å; L33-F44 HydrophobicContact CD2-CE2 4.46Å; I34-F44 HydrophobicContact CD1-CD2 4.06Å; I34-F44 HydrophobicContact CD1-CE2 4.42Å; I34-F44 HydrophobicContact CD1-CG 4.38Å; I34-F44 HydrophobicContact CG1-CD2 4.02Å; I34-F44 HydrophobicContact CG1-CE2 4.25Å; T40-F44 WeakPolarHBondContact O-CD2 3.42Å; K41-F44 CarbonylContact O-C 3.59Å; K41-F44 PolarHBondContact O-N 3.23Å; S42-F44 PolarHBondContact O-N 3.47Å; F44-H46 PolarHBondContact O-N 2.94Å; F44-W47 HydrophobicContact CB-CD2 4.21Å; F44-W47 HydrophobicContact CB-CE3 3.93Å; F44-W47 HydrophobicContact CB-CZ3 4.14Å; F44-W47 HydrophobicContact CD1-CD2 4.32Å; F44-W47 HydrophobicContact CD1-CE3 4.03Å; F44-W47 AromaticContact CD1-CH2 3.21Å; F44-W47 HydrophobicContact CD1-CH2 3.21Å; F44-W47 AromaticContact CD1-CZ2 3.59Å; F44-W47 HydrophobicContact CD1-CZ2 3.59Å; F44-W47 AromaticContact CD1-CZ3 3.47Å; F44-W47 HydrophobicContact CD1-CZ3 3.47Å; F44-W47 VanDerWaalsContact CD1-CZ3 3.47Å; F44-W47 AromaticContact CE1-CH2 3.52Å; F44-W47 HydrophobicContact CE1-CH2 3.52Å; F44-W47 HydrophobicContact CE1-CZ2 4.07Å; F44-W47 HydrophobicContact CE1-CZ3 4.07Å; F44-W47 HydrophobicContact CG-CE3 4.24Å; F44-W47 HydrophobicContact CG-CH2 4.13Å; F44-W47 AromaticContact CG-CZ3 3.93Å; F44-W47 HydrophobicContact CG-CZ3 3.93Å; F44-W47 WeakPolarHBondContact O-CB 3.28Å; F44-W47 PolarHBondContact O-N 3.05Å; F44-L50 HydrophobicContact CB-CD2 3.74Å; F44-H60 AromaticContact CE1-CD2 3.8Å; F44-H60 AromaticContact CE1-NE2 3.99Å |
| 45 | A | 96.5 | Very high | 96.9 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 65% | 0.645 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | K41 S42 W47 | K41-A45 PolarHBondContact O-N 2.93Å; K41-A45 VanDerWaalsContact O-N 3.14Å; S42-A45 WeakPolarHBondContact O-CB 3.48Å; S42-A45 PolarHBondContact O-N 2.94Å; A45-W47 VanDerWaalsContact C-N 3.31Å |
| 46 | H | 96.7 | Very high | 97 | Very high | 141 Ų | 141 | 73.5 Ų | 73.5 | 65% | 0.653 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.3 | 175.1 | 63.1 | -78.5 | 0 | 0 | 0 | 113.4 | Y43 F44 | Y43-H46 PolarHBondContact O-CE1 3.39Å; F44-H46 PolarHBondContact O-N 2.94Å |
| 47 | W | 98.1 | Very high | 97 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 16% | 0.163 | 38% | 0.375 | C | S | . | . | trans | -85.2 | 135.6 | 174.8 | -64.2 | -9.3 | 0 | 0 | 0 | 111.4 | L30 I34 F44 A45 D49 L50 P56 V57 H60 | L30-W47 HydrophobicContact CD2-CH2 4.05Å; L30-W47 HydrophobicContact CD2-CZ3 4.16Å; I34-W47 HydrophobicContact CD1-CZ3 4.22Å; F44-W47 HydrophobicContact CB-CD2 4.21Å; F44-W47 HydrophobicContact CB-CE3 3.93Å; F44-W47 HydrophobicContact CB-CZ3 4.14Å; F44-W47 HydrophobicContact CD1-CD2 4.32Å; F44-W47 HydrophobicContact CD1-CE3 4.03Å; F44-W47 AromaticContact CD1-CH2 3.21Å; F44-W47 HydrophobicContact CD1-CH2 3.21Å; F44-W47 AromaticContact CD1-CZ2 3.59Å; F44-W47 HydrophobicContact CD1-CZ2 3.59Å; F44-W47 AromaticContact CD1-CZ3 3.47Å; F44-W47 HydrophobicContact CD1-CZ3 3.47Å; F44-W47 VanDerWaalsContact CD1-CZ3 3.47Å; F44-W47 AromaticContact CE1-CH2 3.52Å; F44-W47 HydrophobicContact CE1-CH2 3.52Å; F44-W47 HydrophobicContact CE1-CZ2 4.07Å; F44-W47 HydrophobicContact CE1-CZ3 4.07Å; F44-W47 HydrophobicContact CG-CE3 4.24Å; F44-W47 HydrophobicContact CG-CH2 4.13Å; F44-W47 AromaticContact CG-CZ3 3.93Å; F44-W47 HydrophobicContact CG-CZ3 3.93Å; F44-W47 WeakPolarHBondContact O-CB 3.28Å; F44-W47 PolarHBondContact O-N 3.05Å; A45-W47 VanDerWaalsContact C-N 3.31Å; W47-D49 VanDerWaalsContact C-N 3.32Å; W47-L50 HydrophobicContact CB-CD2 3.77Å; W47-L50 HydrophobicContact CD2-CD2 4.27Å; W47-L50 HydrophobicContact CE3-CD2 3.62Å; W47-L50 HydrophobicContact CG-CD2 4.4Å; W47-P56 HydrophobicContact CB-CB 4.27Å; W47-P56 HydrophobicContact CB-CG 3.99Å; W47-P56 HydrophobicContact CD2-CB 3.63Å; W47-P56 HydrophobicContact CD2-CG 4.11Å; W47-P56 HydrophobicContact CE3-CB 3.95Å; W47-P56 HydrophobicContact CE3-CG 4.21Å; W47-P56 HydrophobicContact CG-CB 3.74Å; W47-P56 HydrophobicContact CG-CG 4Å; W47-V57 HydrophobicContact CE3-CG2 4.09Å; W47-V57 HydrophobicContact CZ3-CG2 4.06Å; W47-H60 HydrophobicContact CH2-CB 3.32Å; W47-H60 AromaticContact CH2-CD2 3.64Å; W47-H60 AromaticContact CH2-CG 3.56Å; W47-H60 HydrophobicContact CZ2-CB 3.66Å; W47-H60 AromaticContact CZ2-CG 3.75Å; W47-H60 HydrophobicContact CZ3-CB 4.34Å | ||
| 48 | K | 95 | Very high | 97 | Very high | 218 Ų | 218 | 73 Ų | 73 | 95% | 0.948 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -73.6 | -23.5 | 178.7 | -65.2 | -175.4 | 177.6 | -178.2 | 0 | 113.7 | ||
| 49 | D | 97.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 77.1 Ų | 77.1 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | trans | -135.6 | 108.3 | -177.2 | -177.3 | 6.6 | 0 | 0 | 0 | 109.9 | W47 S51 G54 P56 | W47-D49 VanDerWaalsContact C-N 3.32Å; D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.42Å; D49-S51 PolarHBondContact OD1-OG 3.04Å; D49-S51 PolarHBondContact OD2-OG 3.38Å; D49-G54 WeakPolarHBondContact OD2-CA 3.43Å; D49-P56 VanDerWaalsContact O-CG 3.23Å; D49-P56 WeakPolarHBondContact O-CG 3.48Å | ||
| 50 | L | 97.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | trans | -102.6 | 11.4 | 176.5 | -63.7 | -177.8 | 0 | 0 | 0 | 112.1 | I34 K41 F44 W47 | I34-L50 HydrophobicContact CD1-CD2 4.42Å; I34-L50 HydrophobicContact CG2-CB 4.07Å; K41-L50 HydrophobicContact CB-CD1 4.46Å; F44-L50 HydrophobicContact CB-CD2 3.74Å; W47-L50 HydrophobicContact CB-CD2 3.77Å; W47-L50 HydrophobicContact CD2-CD2 4.27Å; W47-L50 HydrophobicContact CE3-CD2 3.62Å; W47-L50 HydrophobicContact CG-CD2 4.4Å | ||
| 51 | S | 96.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 75.2 Ų | 75.2 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -65.4 | 156.2 | 176.1 | 72 | 0 | 0 | 0 | 0 | 110.7 | D49 N53 G54 | D49-S51 WeakPolarHBondContact OD1-CB 3.37Å; D49-S51 PolarHBondContact OD1-N 3.42Å; D49-S51 PolarHBondContact OD1-OG 3.04Å; D49-S51 PolarHBondContact OD2-OG 3.38Å; S51-N53 PolarHBondContact O-N 2.64Å; S51-N53 VanDerWaalsContact O-N 3.07Å; S51-G54 PolarHBondContact O-N 2.99Å; S51-G54 PolarHBondContact OG-N 3.42Å |
| 52 | P | 94.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.4 | -180 | -31.4 | 37.6 | 0 | 0 | 0 | 115 | A31 V35 | A31-P52 HydrophobicContact CB-CB 3.88Å; V35-P52 HydrophobicContact CG2-CG 3.99Å |
| 53 | N | 94 | Very high | 97.4 | Very high | 139 Ų | 139 | 74.2 Ų | 74.2 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 5.2 | 179.7 | -66.6 | -33.2 | 0 | 0 | 0 | 113.2 | S51 A55 | S51-N53 PolarHBondContact O-N 2.64Å; S51-N53 VanDerWaalsContact O-N 3.07Å; N53-A55 PolarHBondContact O-N 3.12Å |
| 54 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -59 | 133 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D49 S51 P56 V57 R58 | D49-G54 WeakPolarHBondContact OD2-CA 3.43Å; S51-G54 PolarHBondContact O-N 2.99Å; S51-G54 PolarHBondContact OG-N 3.42Å; G54-P56 VanDerWaalsContact C-CD 3.41Å; G54-P56 VanDerWaalsContact C-N 3.34Å; G54-V57 WeakPolarHBondContact O-CB 3.36Å; G54-V57 PolarHBondContact O-N 2.91Å; G54-V57 VanDerWaalsContact O-N 3.08Å; G54-R58 PolarHBondContact O-N 3.43Å | ||
| 55 | A | 98.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 71 Ų | 71 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -50 | -44.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | N53 K59 | N53-A55 PolarHBondContact O-N 3.12Å; A55-K59 WeakPolarHBondContact O-CB 3.19Å; A55-K59 PolarHBondContact O-N 3Å |
| 56 | P | 98.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.8 | -35.3 | 178.7 | 28.8 | -35.8 | 0 | 0 | 0 | 112.8 | W47 D49 G54 K59 H60 | W47-P56 HydrophobicContact CB-CB 4.27Å; W47-P56 HydrophobicContact CB-CG 3.99Å; W47-P56 HydrophobicContact CD2-CB 3.63Å; W47-P56 HydrophobicContact CD2-CG 4.11Å; W47-P56 HydrophobicContact CE3-CB 3.95Å; W47-P56 HydrophobicContact CE3-CG 4.21Å; W47-P56 HydrophobicContact CG-CB 3.74Å; W47-P56 HydrophobicContact CG-CG 4Å; D49-P56 VanDerWaalsContact O-CG 3.23Å; D49-P56 WeakPolarHBondContact O-CG 3.48Å; G54-P56 VanDerWaalsContact C-CD 3.41Å; G54-P56 VanDerWaalsContact C-N 3.34Å; P56-K59 PolarHBondContact O-N 3Å; P56-H60 WeakPolarHBondContact O-CB 3.5Å; P56-H60 PolarHBondContact O-N 3.26Å |
| 57 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 175 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | L30 A31 I34 W47 G54 K59 H60 G61 | L30-V57 HydrophobicContact CB-CG1 4.35Å; L30-V57 HydrophobicContact CD2-CG1 4.29Å; L30-V57 WeakPolarHBondContact CD2-O 3.44Å; L30-V57 HydrophobicContact CG-CG1 4.14Å; A31-V57 HydrophobicContact CB-CG1 4.12Å; I34-V57 HydrophobicContact CD1-CG1 4.42Å; I34-V57 HydrophobicContact CD1-CG2 3.99Å; W47-V57 HydrophobicContact CE3-CG2 4.09Å; W47-V57 HydrophobicContact CZ3-CG2 4.06Å; G54-V57 WeakPolarHBondContact O-CB 3.36Å; G54-V57 PolarHBondContact O-N 2.91Å; G54-V57 VanDerWaalsContact O-N 3.08Å; V57-K59 PolarHBondContact O-N 3.08Å; V57-H60 PolarHBondContact O-N 2.98Å; V57-G61 PolarHBondContact O-N 3.22Å |
| 58 | R | 98.2 | Very high | 97.6 | Very high | 137 Ų | 137 | 61.9 Ų | 61.9 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 177.5 | -68.2 | -177.3 | 59.7 | -126.1 | -6 | 111.9 | A27 G54 H60 G61 I62 | A27-R58 HydrophobicContact CB-CB 4.3Å; A27-R58 HydrophobicContact CB-CG 4.08Å; G54-R58 PolarHBondContact O-N 3.43Å; R58-H60 PolarHBondContact O-N 3.13Å; R58-G61 PolarHBondContact O-N 3.08Å; R58-I62 WeakPolarHBondContact O-CG1 3.42Å; R58-I62 PolarHBondContact O-N 3.44Å |
| 59 | K | 98.6 | Very high | 97.8 | Very high | 158 Ų | 158 | 54 Ų | 54 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | -179 | -176.9 | 178 | 177.9 | -179.4 | 0 | 111.9 | A55 P56 V57 I62 T63 | A55-K59 WeakPolarHBondContact O-CB 3.19Å; A55-K59 PolarHBondContact O-N 3Å; P56-K59 PolarHBondContact O-N 3Å; V57-K59 PolarHBondContact O-N 3.08Å; K59-I62 PolarHBondContact O-N 3.21Å; K59-T63 PolarHBondContact O-N 2.94Å; K59-T63 PolarHBondContact O-OG1 2.91Å |
| 60 | H | 98.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.2 | -31.7 | -178.5 | -165.2 | 66.5 | 0 | 0 | 0 | 112.5 | L30 F44 W47 P56 V57 R58 I62 T63 V64 | L30-H60 HydrophobicContact CD2-CB 3.79Å; F44-H60 AromaticContact CE1-CD2 3.8Å; F44-H60 AromaticContact CE1-NE2 3.99Å; W47-H60 HydrophobicContact CH2-CB 3.32Å; W47-H60 AromaticContact CH2-CD2 3.64Å; W47-H60 AromaticContact CH2-CG 3.56Å; W47-H60 HydrophobicContact CZ2-CB 3.66Å; W47-H60 AromaticContact CZ2-CG 3.75Å; W47-H60 HydrophobicContact CZ3-CB 4.34Å; P56-H60 WeakPolarHBondContact O-CB 3.5Å; P56-H60 PolarHBondContact O-N 3.26Å; V57-H60 PolarHBondContact O-N 2.98Å; R58-H60 PolarHBondContact O-N 3.13Å; H60-I62 VanDerWaalsContact C-N 3.26Å; H60-I62 PolarHBondContact O-N 3.02Å; H60-T63 CarbonylContact O-C 3.3Å; H60-T63 WeakPolarHBondContact O-CA 3.38Å; H60-T63 WeakPolarHBondContact O-CB 3.33Å; H60-T63 PolarHBondContact O-N 2.93Å; H60-V64 WeakPolarHBondContact O-CG2 3.4Å; H60-V64 PolarHBondContact O-N 3.17Å |
| 61 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.4 | -41.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G26 V57 R58 V64 M65 | G26-G61 VanDerWaalsContact C-CA 3.43Å; G26-G61 WeakPolarHBondContact CA-O 3.38Å; G26-G61 VanDerWaalsContact O-CA 3.28Å; G26-G61 WeakPolarHBondContact O-CA 3.33Å; V57-G61 PolarHBondContact O-N 3.22Å; R58-G61 PolarHBondContact O-N 3.08Å; G61-V64 WeakPolarHBondContact O-CB 3.37Å; G61-V64 PolarHBondContact O-N 2.99Å; G61-M65 PolarHBondContact O-N 3.19Å |
| 62 | I | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 172.7 | -61.7 | 165.5 | 0 | 0 | 0 | 110.7 | D23 R58 K59 H60 V64 M65 G66 | D23-I62 HydrophobicContact CB-CD1 4.13Å; D23-I62 HydrophobicContact CB-CG1 3.82Å; R58-I62 WeakPolarHBondContact O-CG1 3.42Å; R58-I62 PolarHBondContact O-N 3.44Å; K59-I62 PolarHBondContact O-N 3.21Å; H60-I62 VanDerWaalsContact C-N 3.26Å; H60-I62 PolarHBondContact O-N 3.02Å; I62-V64 VanDerWaalsContact C-N 3.33Å; I62-V64 PolarHBondContact O-N 3.34Å; I62-M65 PolarHBondContact O-N 3.34Å; I62-G66 PolarHBondContact O-N 2.78Å |
| 63 | T | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 176.3 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | K59 H60 G66 G67 | K59-T63 PolarHBondContact O-N 2.94Å; K59-T63 PolarHBondContact O-OG1 2.91Å; H60-T63 CarbonylContact O-C 3.3Å; H60-T63 WeakPolarHBondContact O-CA 3.38Å; H60-T63 WeakPolarHBondContact O-CB 3.33Å; H60-T63 PolarHBondContact O-N 2.93Å; T63-G66 PolarHBondContact O-N 2.92Å; T63-G67 PolarHBondContact O-N 3.27Å; T63-G67 VanDerWaalsContact O-N 3.1Å |
| 64 | V | 98.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 176.3 | 165.6 | 0 | 0 | 0 | 0 | 110.6 | H60 G61 I62 G66 G67 V68 L103 | H60-V64 WeakPolarHBondContact O-CG2 3.4Å; H60-V64 PolarHBondContact O-N 3.17Å; G61-V64 WeakPolarHBondContact O-CB 3.37Å; G61-V64 PolarHBondContact O-N 2.99Å; I62-V64 VanDerWaalsContact C-N 3.33Å; I62-V64 PolarHBondContact O-N 3.34Å; V64-G66 VanDerWaalsContact C-N 3.3Å; V64-G66 PolarHBondContact O-N 3.29Å; V64-G67 PolarHBondContact O-N 3.03Å; V64-G67 VanDerWaalsContact O-N 3.1Å; V64-V68 PolarHBondContact O-N 3.25Å; V64-L103 HydrophobicContact CG1-CD2 3.89Å |
| 65 | M | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 178.4 | -73 | -59 | -59.9 | 0 | 0 | 112.1 | F15 S22 I25 G61 I62 G67 V68 Y69 | F15-M65 HydrophobicContact CE1-CE 4.06Å; S22-M65 WeakPolarHBondContact OG-CB 3.46Å; I25-M65 HydrophobicContact CG2-CE 3.99Å; I25-M65 HydrophobicContact CG2-CG 4.49Å; I25-M65 HydrophobicContact CG2-SD 3.86Å; G61-M65 PolarHBondContact O-N 3.19Å; I62-M65 PolarHBondContact O-N 3.34Å; M65-G67 VanDerWaalsContact C-N 3.3Å; M65-G67 PolarHBondContact O-N 3.1Å; M65-V68 WeakPolarHBondContact O-CA 3.33Å; M65-V68 WeakPolarHBondContact O-CB 3.22Å; M65-V68 PolarHBondContact O-N 2.76Å; M65-V68 HydrophobicContact SD-CB 4.44Å; M65-V68 HydrophobicContact SD-CG2 4.3Å; M65-Y69 HydrophobicContact CE-CD2 4.47Å; M65-Y69 HydrophobicContact CE-CE2 3.79Å; M65-Y69 WeakPolarHBondContact O-CD2 3.35Å; M65-Y69 PolarHBondContact O-N 2.89Å |
| 66 | G | 98.5 | Very high | 98.5 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -52.8 | -46.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I62 T63 V64 V68 Y69 E70 | I62-G66 PolarHBondContact O-N 2.78Å; T63-G66 PolarHBondContact O-N 2.92Å; V64-G66 VanDerWaalsContact C-N 3.3Å; V64-G66 PolarHBondContact O-N 3.29Å; G66-V68 PolarHBondContact O-N 2.91Å; G66-Y69 PolarHBondContact O-N 2.76Å; G66-E70 PolarHBondContact O-N 2.97Å |
| 67 | G | 98.4 | Very high | 98.5 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -34.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | T63 V64 M65 E70 A71 | T63-G67 PolarHBondContact O-N 3.27Å; T63-G67 VanDerWaalsContact O-N 3.1Å; V64-G67 PolarHBondContact O-N 3.03Å; V64-G67 VanDerWaalsContact O-N 3.1Å; M65-G67 VanDerWaalsContact C-N 3.3Å; M65-G67 PolarHBondContact O-N 3.1Å; G67-E70 PolarHBondContact O-N 2.76Å; G67-A71 WeakPolarHBondContact O-CB 3.32Å; G67-A71 PolarHBondContact O-N 3.03Å |
| 68 | V | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 111.1 | F15 V64 M65 G66 E70 A71 V72 I107 F130 | F15-V68 HydrophobicContact CD1-CG1 4.24Å; F15-V68 HydrophobicContact CE1-CG1 3.39Å; F15-V68 HydrophobicContact CZ-CG1 3.67Å; V64-V68 PolarHBondContact O-N 3.25Å; M65-V68 WeakPolarHBondContact O-CA 3.33Å; M65-V68 WeakPolarHBondContact O-CB 3.22Å; M65-V68 PolarHBondContact O-N 2.76Å; M65-V68 HydrophobicContact SD-CB 4.44Å; M65-V68 HydrophobicContact SD-CG2 4.3Å; G66-V68 PolarHBondContact O-N 2.91Å; V68-E70 VanDerWaalsContact C-N 3.35Å; V68-A71 WeakPolarHBondContact O-CB 3.4Å; V68-A71 PolarHBondContact O-N 3.49Å; V68-A71 VanDerWaalsContact O-N 3.17Å; V68-V72 WeakPolarHBondContact O-CG2 3.43Å; V68-V72 PolarHBondContact O-N 2.85Å; V68-I107 HydrophobicContact CG2-CD1 4.28Å; V68-F130 HydrophobicContact CG1-CE1 4.07Å |
| 69 | Y | 98.6 | Very high | 98.4 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 21% | 0.208 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 175.7 | -80.4 | -76.9 | 0 | 0 | 0 | 112.4 | F15 S19 S22 M65 G66 A71 V72 S73 | F15-Y69 HydrophobicContact CB-CE1 3.99Å; F15-Y69 AromaticContact CD1-CE1 3.98Å; F15-Y69 HydrophobicContact CD1-CE1 3.98Å; F15-Y69 AromaticContact CD1-CZ 3.94Å; F15-Y69 HydrophobicContact CG-CE1 4.5Å; F15-Y69 WeakPolarHBondContact O-CE1 3.31Å; F15-Y69 PolarHBondContact O-OH 3.3Å; S19-Y69 VanDerWaalsContact CA-OH 3.23Å; S19-Y69 WeakPolarHBondContact CA-OH 3.47Å; S19-Y69 PolarHBondContact N-OH 3.28Å; S22-Y69 VanDerWaalsContact OG-CE2 3.3Å; S22-Y69 WeakPolarHBondContact OG-CE2 3.33Å; M65-Y69 HydrophobicContact CE-CD2 4.47Å; M65-Y69 HydrophobicContact CE-CE2 3.79Å; M65-Y69 WeakPolarHBondContact O-CD2 3.35Å; M65-Y69 PolarHBondContact O-N 2.89Å; G66-Y69 PolarHBondContact O-N 2.76Å; Y69-A71 VanDerWaalsContact C-N 3.32Å; Y69-A71 PolarHBondContact O-N 2.9Å; Y69-V72 PolarHBondContact O-N 3.17Å; Y69-S73 PolarHBondContact O-N 3.22Å |
| 70 | E | 98.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | 169.6 | -177.2 | 174.8 | -168.5 | 0 | 0 | 110.5 | G66 G67 V68 V72 S73 K74 | G66-E70 PolarHBondContact O-N 2.97Å; G67-E70 PolarHBondContact O-N 2.76Å; V68-E70 VanDerWaalsContact C-N 3.35Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.43Å; E70-S73 WeakPolarHBondContact O-CA 3.45Å; E70-S73 WeakPolarHBondContact O-CB 3.41Å; E70-S73 PolarHBondContact O-N 3.45Å; E70-S73 PolarHBondContact O-OG 3.02Å; E70-K74 WeakPolarHBondContact O-CG 3.43Å; E70-K74 PolarHBondContact O-N 3.48Å |
| 71 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | G67 V68 Y69 S73 K74 I75 L78 L82 F130 V134 | G67-A71 WeakPolarHBondContact O-CB 3.32Å; G67-A71 PolarHBondContact O-N 3.03Å; V68-A71 WeakPolarHBondContact O-CB 3.4Å; V68-A71 PolarHBondContact O-N 3.49Å; V68-A71 VanDerWaalsContact O-N 3.17Å; Y69-A71 VanDerWaalsContact C-N 3.32Å; Y69-A71 PolarHBondContact O-N 2.9Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.24Å; A71-K74 CarbonylContact O-C 3.6Å; A71-K74 VanDerWaalsContact O-C 3.3Å; A71-K74 PolarHBondContact O-N 3.11Å; A71-K74 VanDerWaalsContact O-N 3.12Å; A71-I75 PolarHBondContact O-N 3.43Å; A71-L78 HydrophobicContact CB-CD2 3.92Å; A71-L78 VanDerWaalsContact O-CD2 3.28Å; A71-L78 WeakPolarHBondContact O-CD2 3.44Å; A71-L82 HydrophobicContact CB-CD1 3.92Å; A71-L82 HydrophobicContact CB-CD2 4.06Å; A71-L82 HydrophobicContact CB-CG 4.49Å; A71-F130 HydrophobicContact CB-CE2 4.2Å; A71-F130 HydrophobicContact CB-CZ 3.81Å; A71-V134 HydrophobicContact CB-CG2 3.7Å |
| 72 | V | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 172.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | V11 K12 F15 V68 Y69 E70 K74 I75 F130 | V11-V72 HydrophobicContact CG1-CG2 4.12Å; K12-V72 HydrophobicContact CG-CG1 4.05Å; F15-V72 HydrophobicContact CB-CG1 4.38Å; F15-V72 HydrophobicContact CB-CG2 4.03Å; F15-V72 HydrophobicContact CD1-CG2 4.15Å; F15-V72 HydrophobicContact CD2-CG2 3.89Å; F15-V72 HydrophobicContact CE2-CG2 4.39Å; F15-V72 HydrophobicContact CG-CG2 3.75Å; V68-V72 WeakPolarHBondContact O-CG2 3.43Å; V68-V72 PolarHBondContact O-N 2.85Å; Y69-V72 PolarHBondContact O-N 3.17Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.43Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.01Å; V72-I75 WeakPolarHBondContact O-CB 3.18Å; V72-I75 PolarHBondContact O-N 3.41Å; V72-F130 HydrophobicContact CB-CZ 4.37Å; V72-F130 HydrophobicContact CG2-CE1 3.82Å; V72-F130 HydrophobicContact CG2-CE2 4.28Å; V72-F130 HydrophobicContact CG2-CZ 3.5Å; V72-F130 VanDerWaalsContact CG2-CZ 3.5Å |
| 73 | S | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 57% | 0.573 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.3 | -26.6 | 175.9 | 84 | 0 | 0 | 0 | 0 | 113 | Y69 E70 A71 | Y69-S73 PolarHBondContact O-N 3.22Å; E70-S73 WeakPolarHBondContact O-CA 3.45Å; E70-S73 WeakPolarHBondContact O-CB 3.41Å; E70-S73 PolarHBondContact O-N 3.45Å; E70-S73 PolarHBondContact O-OG 3.02Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.24Å |
| 74 | K | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 18.5 | 179.7 | -57.9 | -61.5 | -179.2 | 177.5 | 0 | 113.3 | E70 A71 V72 D76 D77 L78 | E70-K74 WeakPolarHBondContact O-CG 3.43Å; E70-K74 PolarHBondContact O-N 3.48Å; A71-K74 CarbonylContact O-C 3.6Å; A71-K74 VanDerWaalsContact O-C 3.3Å; A71-K74 PolarHBondContact O-N 3.11Å; A71-K74 VanDerWaalsContact O-N 3.12Å; V72-K74 VanDerWaalsContact C-N 3.27Å; V72-K74 PolarHBondContact O-N 3.01Å; K74-D76 PolarHBondContact O-N 3.06Å; K74-D77 CarbonylContact O-C 3.51Å; K74-D77 PolarHBondContact O-N 2.95Å; K74-L78 PolarHBondContact O-N 3.5Å |
| 75 | I | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.7 | -170.4 | -156.2 | 166.8 | 0 | 0 | 0 | 115 | L3 K8 V11 A71 V72 F130 | L3-I75 HydrophobicContact CD1-CD1 3.81Å; L3-I75 HydrophobicContact CD1-CG1 3.65Å; K8-I75 HydrophobicContact CB-CD1 4.24Å; K8-I75 HydrophobicContact CB-CG2 4.43Å; K8-I75 HydrophobicContact CD-CG2 4.36Å; K8-I75 HydrophobicContact CG-CD1 4.17Å; K8-I75 HydrophobicContact CG-CG1 4.2Å; K8-I75 HydrophobicContact CG-CG2 4.32Å; V11-I75 HydrophobicContact CB-CD1 3.84Å; V11-I75 HydrophobicContact CG1-CD1 3.64Å; V11-I75 HydrophobicContact CG2-CD1 4.45Å; A71-I75 PolarHBondContact O-N 3.43Å; V72-I75 WeakPolarHBondContact O-CB 3.18Å; V72-I75 PolarHBondContact O-N 3.41Å; I75-F130 HydrophobicContact CD1-CD2 3.9Å; I75-F130 HydrophobicContact CD1-CE2 4.17Å; I75-F130 HydrophobicContact CG1-CD2 3.99Å; I75-F130 HydrophobicContact CG1-CE2 4.12Å |
| 76 | D | 97.9 | Very high | 98.1 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.4 | 176.3 | -66 | -55.1 | 0 | 0 | 0 | 113.2 | K8 K74 | K8-D76 WeakPolarHBondContact CD-OD1 3.43Å; K8-D76 IonicContact NZ-OD1 2.75Å; K8-D76 PolarHBondContact NZ-OD1 3.02Å; K74-D76 PolarHBondContact O-N 3.06Å |
| 77 | D | 97.8 | Very high | 98.1 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | trans | -146.2 | 81.1 | 174.9 | 178.3 | 20.5 | 0 | 0 | 0 | 110.5 | K74 G80 G81 | K74-D77 CarbonylContact O-C 3.51Å; K74-D77 PolarHBondContact O-N 2.95Å; D77-G80 PolarHBondContact OD1-N 3.46Å; D77-G81 WeakPolarHBondContact O-CA 3.38Å; D77-G81 PolarHBondContact O-N 2.93Å | ||
| 78 | L | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.9 | -36.4 | -179.6 | -70.6 | 172.1 | 0 | 0 | 0 | 112.5 | A71 K74 G81 L82 F130 L133 V134 A137 | A71-L78 HydrophobicContact CB-CD2 3.92Å; A71-L78 VanDerWaalsContact O-CD2 3.28Å; A71-L78 WeakPolarHBondContact O-CD2 3.44Å; K74-L78 PolarHBondContact O-N 3.5Å; L78-G81 PolarHBondContact O-N 2.88Å; L78-L82 HydrophobicContact CD2-CD1 4.3Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 2.95Å; L78-L82 PolarHBondContact O-N 3.31Å; L78-F130 HydrophobicContact CD1-CD2 4.5Å; L78-F130 HydrophobicContact CD2-CE2 4.25Å; L78-L133 HydrophobicContact CD1-CB 3.6Å; L78-V134 HydrophobicContact CD1-CG2 4.38Å; L78-V134 HydrophobicContact CD2-CG2 4.31Å; L78-A137 HydrophobicContact CB-CB 3.92Å; L78-A137 WeakPolarHBondContact O-CB 2.94Å |
| 79 | A | 96.8 | Very high | 98 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.2 | -47 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | E140 | A79-E140 HydrophobicContact CB-CG 4.28Å |
| 80 | G | 97.3 | Very high | 98 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D77 L82 | D77-G80 PolarHBondContact OD1-N 3.46Å; G80-L82 PolarHBondContact O-N 2.71Å |
| 81 | G | 97.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -32 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | D77 L78 | D77-G81 WeakPolarHBondContact O-CA 3.38Å; D77-G81 PolarHBondContact O-N 2.93Å; L78-G81 PolarHBondContact O-N 2.88Å |
| 82 | L | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 14.7 | -176.2 | -55.8 | -178.7 | 0 | 0 | 0 | 113.5 | A71 L78 G80 N84 L85 S86 V134 A137 L138 | A71-L82 HydrophobicContact CB-CD1 3.92Å; A71-L82 HydrophobicContact CB-CD2 4.06Å; A71-L82 HydrophobicContact CB-CG 4.49Å; L78-L82 HydrophobicContact CD2-CD1 4.3Å; L78-L82 WeakPolarHBondContact O-CB 3.3Å; L78-L82 WeakPolarHBondContact O-CG 2.95Å; L78-L82 PolarHBondContact O-N 3.31Å; G80-L82 PolarHBondContact O-N 2.71Å; L82-N84 VanDerWaalsContact C-N 3.34Å; L82-N84 PolarHBondContact O-N 2.92Å; L82-L85 HydrophobicContact CD2-CD1 4.26Å; L82-L85 PolarHBondContact O-N 3.35Å; L82-S86 PolarHBondContact O-N 2.7Å; L82-V134 HydrophobicContact CD1-CG1 3.98Å; L82-V134 HydrophobicContact CD1-CG2 4.48Å; L82-A137 HydrophobicContact CB-CB 4.38Å; L82-A137 HydrophobicContact CD1-CB 4.04Å; L82-L138 HydrophobicContact CB-CD2 4.48Å |
| 83 | L | 97.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.5 | -48.7 | -175.4 | -168.8 | 67.1 | 0 | 0 | 0 | 112.8 | L85 S86 E87 K141 | L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.41Å; L83-S86 WeakPolarHBondContact O-CB 3.29Å; L83-S86 PolarHBondContact O-N 3.14Å; L83-S86 VanDerWaalsContact O-N 3.12Å; L83-E87 WeakPolarHBondContact O-CG 3.49Å; L83-E87 PolarHBondContact O-N 3.46Å; L83-K141 HydrophobicContact CD1-CD 4.32Å; L83-K141 HydrophobicContact CD1-CG 4.26Å |
| 84 | N | 97.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 68% | 0.684 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | -180 | -65.7 | -20 | 0 | 0 | 0 | 112.1 | L82 L88 | L82-N84 VanDerWaalsContact C-N 3.34Å; L82-N84 PolarHBondContact O-N 2.92Å; N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 PolarHBondContact O-N 3.42Å |
| 85 | L | 97.7 | Very high | 97.7 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 175.5 | -73.1 | -179.7 | 0 | 0 | 0 | 111.3 | L82 L83 L88 H89 L138 | L82-L85 HydrophobicContact CD2-CD1 4.26Å; L82-L85 PolarHBondContact O-N 3.35Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.41Å; L85-L88 HydrophobicContact CD2-CD2 4.28Å; L85-L88 PolarHBondContact O-N 3.13Å; L85-H89 PolarHBondContact O-N 3.41Å; L85-H89 PolarHBondContact O-ND1 3.21Å; L85-L138 HydrophobicContact CB-CD2 3.53Å; L85-L138 HydrophobicContact CD1-CD2 4.49Å |
| 86 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 173.9 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | L82 L83 L88 H89 A90 A137 L138 E140 K141 | L82-S86 PolarHBondContact O-N 2.7Å; L83-S86 WeakPolarHBondContact O-CB 3.29Å; L83-S86 PolarHBondContact O-N 3.14Å; L83-S86 VanDerWaalsContact O-N 3.12Å; S86-L88 PolarHBondContact O-N 3.03Å; S86-H89 PolarHBondContact O-N 2.93Å; S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 3.39Å; S86-A137 PolarHBondContact OG-O 3.3Å; S86-L138 WeakPolarHBondContact CA-O 3.35Å; S86-L138 WeakPolarHBondContact CB-O 3.46Å; S86-L138 PolarHBondContact OG-O 3.44Å; S86-E140 PolarHBondContact OG-N 2.67Å; S86-K141 WeakPolarHBondContact OG-CB 3.28Å; S86-K141 PolarHBondContact OG-N 3.07Å |
| 87 | E | 98.1 | Very high | 97.6 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 37% | 0.369 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 177.4 | -68.3 | -178.6 | 169.3 | 0 | 0 | 112.3 | L83 A90 F91 K141 | L83-E87 WeakPolarHBondContact O-CG 3.49Å; L83-E87 PolarHBondContact O-N 3.46Å; E87-A90 PolarHBondContact O-N 3.1Å; E87-F91 HydrophobicContact CB-CD2 4.22Å; E87-F91 HydrophobicContact CG-CD2 4.45Å; E87-F91 HydrophobicContact CG-CE2 4.4Å; E87-F91 WeakPolarHBondContact O-CB 3.47Å; E87-F91 PolarHBondContact O-N 3.38Å; E87-K141 HydrophobicContact CG-CB 4.32Å; E87-K141 HydrophobicContact CG-CD 4.43Å; E87-K141 HydrophobicContact CG-CG 3.83Å |
| 88 | L | 98.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 37% | 0.372 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -58.3 | -51.4 | 175.5 | 177.1 | 67.2 | 0 | 0 | 0 | 111.1 | N84 L85 S86 V92 L93 | N84-L88 WeakPolarHBondContact O-CB 3.47Å; N84-L88 PolarHBondContact O-N 3.42Å; L85-L88 HydrophobicContact CD2-CD2 4.28Å; L85-L88 PolarHBondContact O-N 3.13Å; S86-L88 PolarHBondContact O-N 3.03Å; L88-V92 HydrophobicContact CD1-CB 4.02Å; L88-V92 HydrophobicContact CD1-CG1 4.21Å; L88-V92 HydrophobicContact CD1-CG2 4.3Å; L88-V92 WeakPolarHBondContact O-CB 3.19Å; L88-V92 PolarHBondContact O-N 3.27Å; L88-L93 HydrophobicContact CD1-CD1 4.47Å; L88-L93 HydrophobicContact CD1-CG 4.24Å; L88-L93 HydrophobicContact CD2-CD1 4.36Å; L88-L93 HydrophobicContact CG-CD1 3.96Å; L88-L93 HydrophobicContact CG-CG 4.16Å; L88-L93 PolarHBondContact O-N 2.91Å |
| 89 | H | 98.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -69.7 | -36.6 | -177.2 | -72.5 | 81.8 | 0 | 0 | 0 | 112.5 | L85 S86 R94 V95 F100 Y142 | L85-H89 PolarHBondContact O-N 3.41Å; L85-H89 PolarHBondContact O-ND1 3.21Å; S86-H89 PolarHBondContact O-N 2.93Å; H89-R94 WeakPolarHBondContact O-CA 3.45Å; H89-R94 PolarHBondContact O-N 2.89Å; H89-V95 PolarHBondContact O-N 2.92Å; H89-F100 HydrophobicContact CB-CE1 4.46Å; H89-F100 HydrophobicContact CB-CZ 3.94Å; H89-F100 AromaticContact CD2-CE1 3.78Å; H89-Y142 PolarHBondContact O-OH 2.99Å |
| 90 | A | 97.8 | Very high | 97.6 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -75.2 | -52.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S86 E87 K141 Y142 | S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 3.39Å; E87-A90 PolarHBondContact O-N 3.1Å; A90-K141 HydrophobicContact CB-CB 4.19Å; A90-K141 WeakPolarHBondContact CB-O 3.37Å; A90-Y142 HydrophobicContact CB-CD1 4.29Å; A90-Y142 HydrophobicContact CB-CD2 3.69Å; A90-Y142 HydrophobicContact CB-CE1 4.25Å; A90-Y142 HydrophobicContact CB-CE2 3.72Å; A90-Y142 HydrophobicContact CB-CG 4.04Å |
| 91 | F | 96.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 64.7 Ų | 64.7 | 54% | 0.544 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -97.2 | -37.4 | -167.8 | -61.7 | -60 | 0 | 0 | 0 | 113.8 | E87 R94 K141 | E87-F91 HydrophobicContact CB-CD2 4.22Å; E87-F91 HydrophobicContact CG-CD2 4.45Å; E87-F91 HydrophobicContact CG-CE2 4.4Å; E87-F91 WeakPolarHBondContact O-CB 3.47Å; E87-F91 PolarHBondContact O-N 3.38Å; F91-R94 PolarHBondContact O-NE 3.44Å; F91-K141 HydrophobicContact CE2-CB 3.92Å; F91-K141 HydrophobicContact CZ-CB 4.37Å; F91-K141 WeakPolarHBondContact CZ-O 3.38Å |
| 92 | V | 96.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 64.6 Ų | 64.6 | 65% | 0.648 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -90.5 | -55.7 | -175.8 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | L88 | L88-V92 HydrophobicContact CD1-CB 4.02Å; L88-V92 HydrophobicContact CD1-CG1 4.21Å; L88-V92 HydrophobicContact CD1-CG2 4.3Å; L88-V92 WeakPolarHBondContact O-CB 3.19Å; L88-V92 PolarHBondContact O-N 3.27Å |
| 93 | L | 97.3 | Very high | 97.7 | Very high | 88 Ų | 88 | 66 Ų | 66 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -83.9 | -24.9 | -176.3 | -55.2 | 179.4 | 0 | 0 | 0 | 112.6 | L88 V95 | L88-L93 HydrophobicContact CD1-CD1 4.47Å; L88-L93 HydrophobicContact CD1-CG 4.24Å; L88-L93 HydrophobicContact CD2-CD1 4.36Å; L88-L93 HydrophobicContact CG-CD1 3.96Å; L88-L93 HydrophobicContact CG-CG 4.16Å; L88-L93 PolarHBondContact O-N 2.91Å; L93-V95 HydrophobicContact CB-CG2 3.85Å; L93-V95 PolarHBondContact O-N 3.15Å |
| 94 | R | 97 | Very high | 97.8 | Very high | 193 Ų | 193 | 63.8 Ų | 63.8 | 73% | 0.728 | 32% | 0.32 | S | S | * | . | trans | 49.7 | 45 | -179 | -57.4 | -178.6 | 177.4 | -167.3 | -2.7 | 112.4 | H89 F91 | H89-R94 WeakPolarHBondContact O-CA 3.45Å; H89-R94 PolarHBondContact O-N 2.89Å; F91-R94 PolarHBondContact O-NE 3.44Å | ||
| 95 | V | 98.2 | Very high | 97.8 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | trans | -70.9 | 131.6 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | Y43 H89 L93 P97 N99 F100 Y142 | Y43-V95 HydrophobicContact CD1-CB 4.5Å; Y43-V95 HydrophobicContact CD1-CG2 3.97Å; Y43-V95 HydrophobicContact CE1-CB 4.28Å; Y43-V95 HydrophobicContact CE1-CG1 4.4Å; Y43-V95 HydrophobicContact CE1-CG2 4.24Å; Y43-V95 HydrophobicContact CE2-CG1 4.37Å; Y43-V95 HydrophobicContact CG-CG2 4.38Å; H89-V95 PolarHBondContact O-N 2.92Å; L93-V95 HydrophobicContact CB-CG2 3.85Å; L93-V95 PolarHBondContact O-N 3.15Å; V95-P97 WeakPolarHBondContact O-CD 3.33Å; V95-N99 HydrophobicContact CG1-CB 4.21Å; V95-F100 HydrophobicContact CG1-CE1 4.48Å; V95-Y142 WeakPolarHBondContact O-CE1 3.13Å; V95-Y142 PolarHBondContact O-OH 3.02Å | ||
| 96 | D | 98 | Very high | 97.9 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | trans | -66.4 | 126.3 | 174.3 | -175.8 | -37.3 | 0 | 0 | 0 | 108.9 | Y43 V98 N99 | Y43-D96 WeakPolarHBondContact OH-CB 3.38Å; Y43-D96 PolarHBondContact OH-N 3.38Å; D96-V98 HydrophobicContact CB-CG1 4.1Å; D96-V98 PolarHBondContact O-N 3.41Å; D96-V98 WeakPolarHBondContact OD1-CB 3.43Å; D96-V98 WeakPolarHBondContact OD1-CG1 3.4Å; D96-V98 PolarHBondContact OD1-N 3.27Å; D96-N99 WeakPolarHBondContact O-CB 3.38Å; D96-N99 PolarHBondContact O-N 3.04Å; D96-N99 PolarHBondContact O-ND2 2.97Å | ||
| 97 | P | 97.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -53.2 | -24.6 | -179.1 | -28.3 | 35.6 | 0 | 0 | 0 | 114.4 | V95 N99 F100 Y142 | V95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-N99 PolarHBondContact O-N 3.44Å; P97-N99 VanDerWaalsContact O-N 3.08Å; P97-F100 HydrophobicContact CB-CD2 4.2Å; P97-F100 HydrophobicContact CB-CE2 4.25Å; P97-F100 WeakPolarHBondContact O-CD2 3.4Å; P97-F100 PolarHBondContact O-N 3.48Å; P97-F100 VanDerWaalsContact O-N 3.13Å; P97-Y142 VanDerWaalsContact CD-CE1 3.49Å; P97-Y142 HydrophobicContact CG-CD1 3.38Å; P97-Y142 HydrophobicContact CG-CD2 4.09Å; P97-Y142 HydrophobicContact CG-CE1 3.46Å; P97-Y142 VanDerWaalsContact CG-CE1 3.46Å; P97-Y142 HydrophobicContact CG-CE2 4.1Å; P97-Y142 HydrophobicContact CG-CG 3.7Å |
| 98 | V | 96.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 39% | 0.394 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -57.9 | -22 | 175.7 | 80.1 | 0 | 0 | 0 | 0 | 112.8 | D96 K101 | D96-V98 HydrophobicContact CB-CG1 4.1Å; D96-V98 PolarHBondContact O-N 3.41Å; D96-V98 WeakPolarHBondContact OD1-CB 3.43Å; D96-V98 WeakPolarHBondContact OD1-CG1 3.4Å; D96-V98 PolarHBondContact OD1-N 3.27Å; V98-K101 WeakPolarHBondContact O-CE 3.38Å; V98-K101 WeakPolarHBondContact O-CG 3.38Å |
| 99 | N | 98.2 | Very high | 98 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -80.3 | -21 | -179.1 | -62.3 | -67 | 0 | 0 | 0 | 113.3 | Y43 V95 D96 P97 K101 I102 L103 | Y43-N99 VanDerWaalsContact CE2-ND2 3.33Å; Y43-N99 WeakPolarHBondContact CE2-ND2 3.37Å; Y43-N99 PolarHBondContact OH-ND2 2.89Å; Y43-N99 VanDerWaalsContact OH-ND2 3.14Å; V95-N99 HydrophobicContact CG1-CB 4.21Å; D96-N99 WeakPolarHBondContact O-CB 3.38Å; D96-N99 PolarHBondContact O-N 3.04Å; D96-N99 PolarHBondContact O-ND2 2.97Å; P97-N99 PolarHBondContact O-N 3.44Å; P97-N99 VanDerWaalsContact O-N 3.08Å; N99-K101 PolarHBondContact O-N 3.27Å; N99-I102 WeakPolarHBondContact O-CB 3.29Å; N99-I102 PolarHBondContact O-N 3.1Å; N99-I102 VanDerWaalsContact O-N 3.08Å; N99-L103 PolarHBondContact O-N 3.48Å |
| 100 | F | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | -179.4 | -65.1 | -48.4 | 0 | 0 | 0 | 111.8 | H89 V95 P97 I102 L103 S104 A135 L138 Y142 | H89-F100 HydrophobicContact CB-CE1 4.46Å; H89-F100 HydrophobicContact CB-CZ 3.94Å; H89-F100 AromaticContact CD2-CE1 3.78Å; V95-F100 HydrophobicContact CG1-CE1 4.48Å; P97-F100 HydrophobicContact CB-CD2 4.2Å; P97-F100 HydrophobicContact CB-CE2 4.25Å; P97-F100 WeakPolarHBondContact O-CD2 3.4Å; P97-F100 PolarHBondContact O-N 3.48Å; P97-F100 VanDerWaalsContact O-N 3.13Å; F100-I102 PolarHBondContact O-N 3.4Å; F100-L103 PolarHBondContact O-N 2.9Å; F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.06Å; F100-A135 HydrophobicContact CB-CB 3.62Å; F100-A135 HydrophobicContact CG-CB 4.42Å; F100-L138 HydrophobicContact CD1-CD1 3.96Å; F100-L138 HydrophobicContact CD2-CB 4.29Å; F100-L138 HydrophobicContact CE1-CB 4.2Å; F100-L138 HydrophobicContact CE1-CD1 3.82Å; F100-L138 HydrophobicContact CE2-CB 3.81Å; F100-L138 HydrophobicContact CZ-CB 3.75Å; F100-L138 HydrophobicContact CZ-CD1 4.25Å; F100-Y142 HydrophobicContact CE2-CE2 4.05Å; F100-Y142 HydrophobicContact CZ-CE2 4.33Å; F100-Y142 WeakPolarHBondContact CZ-OH 3.17Å |
| 101 | K | 97.2 | Very high | 98 | Very high | 137 Ų | 137 | 52.9 Ų | 52.9 | 60% | 0.596 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.4 | -28.1 | 176.1 | 62.2 | 176.1 | -177.2 | -174.4 | 0 | 113.2 | V98 N99 H105 | V98-K101 WeakPolarHBondContact O-CE 3.38Å; V98-K101 WeakPolarHBondContact O-CG 3.38Å; N99-K101 PolarHBondContact O-N 3.27Å; K101-H105 WeakPolarHBondContact O-CB 3.33Å; K101-H105 PolarHBondContact O-N 3.1Å |
| 102 | I | 98.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -46.4 | 179.1 | -53.5 | -178.9 | 0 | 0 | 0 | 109.2 | L33 Y37 N99 F100 H105 C106 | L33-I102 HydrophobicContact CD1-CB 3.88Å; L33-I102 HydrophobicContact CD1-CG2 3.38Å; Y37-I102 HydrophobicContact CD1-CD1 4.47Å; Y37-I102 HydrophobicContact CD1-CG2 3.59Å; Y37-I102 HydrophobicContact CD2-CG2 3.21Å; Y37-I102 HydrophobicContact CE1-CG2 3.88Å; Y37-I102 HydrophobicContact CE2-CG2 3.54Å; Y37-I102 HydrophobicContact CG-CG2 3.23Å; N99-I102 WeakPolarHBondContact O-CB 3.29Å; N99-I102 PolarHBondContact O-N 3.1Å; N99-I102 VanDerWaalsContact O-N 3.08Å; F100-I102 PolarHBondContact O-N 3.4Å; I102-H105 WeakPolarHBondContact O-CB 3.17Å; I102-H105 PolarHBondContact O-N 3.36Å; I102-C106 PolarHBondContact O-N 3.47Å; I102-C106 PolarHBondContact O-SG 3.07Å |
| 103 | L | 98.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 18% | 0.178 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.1 | 177.8 | 59.1 | 0 | 0 | 0 | 111.5 | L33 V64 N99 F100 H105 C106 I107 | L33-L103 HydrophobicContact CD1-CB 4.37Å; L33-L103 HydrophobicContact CD2-CB 4.25Å; L33-L103 HydrophobicContact CD2-CD1 4.2Å; V64-L103 HydrophobicContact CG1-CD2 3.89Å; N99-L103 PolarHBondContact O-N 3.48Å; F100-L103 PolarHBondContact O-N 2.9Å; L103-H105 VanDerWaalsContact C-N 3.27Å; L103-H105 PolarHBondContact O-N 3.23Å; L103-C106 PolarHBondContact O-N 3.45Å; L103-C106 VanDerWaalsContact O-N 3.13Å; L103-I107 HydrophobicContact CD1-CD1 4.3Å; L103-I107 HydrophobicContact CD1-CG1 4.3Å; L103-I107 HydrophobicContact CG-CD1 4.09Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 3.03Å |
| 104 | S | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.7 | -44.8 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | F100 I107 M108 | F100-S104 PolarHBondContact O-N 3.25Å; F100-S104 PolarHBondContact O-OG 3.06Å; S104-I107 PolarHBondContact O-N 3.23Å; S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 2.98Å |
| 105 | H | 98.8 | Very high | 98.3 | Very high | 86 Ų | 86 | 38 Ų | 38 | 40% | 0.398 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.4 | 176.7 | 73.7 | 0 | 0 | 0 | 112.2 | Y37 K101 I102 L103 I107 M108 V109 | Y37-H105 PolarHBondContact OH-CD2 2.91Å; K101-H105 WeakPolarHBondContact O-CB 3.33Å; K101-H105 PolarHBondContact O-N 3.1Å; I102-H105 WeakPolarHBondContact O-CB 3.17Å; I102-H105 PolarHBondContact O-N 3.36Å; L103-H105 VanDerWaalsContact C-N 3.27Å; L103-H105 PolarHBondContact O-N 3.23Å; H105-I107 VanDerWaalsContact C-N 3.31Å; H105-I107 PolarHBondContact O-N 3.2Å; H105-M108 PolarHBondContact O-N 2.95Å; H105-V109 WeakPolarHBondContact O-CG2 3.4Å; H105-V109 PolarHBondContact O-N 2.87Å |
| 106 | C | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 176.6 | -68.9 | 0 | 0 | 0 | 0 | 112.6 | A29 R32 I102 L103 V109 V110 | A29-C106 HydrophobicContact CB-CB 4.37Å; A29-C106 WeakPolarHBondContact O-CB 3.44Å; R32-C106 HydrophobicContact CB-CB 4.26Å; I102-C106 PolarHBondContact O-N 3.47Å; I102-C106 PolarHBondContact O-SG 3.07Å; L103-C106 PolarHBondContact O-N 3.45Å; L103-C106 VanDerWaalsContact O-N 3.13Å; C106-V109 PolarHBondContact O-N 3.44Å; C106-V110 WeakPolarHBondContact O-CG2 3.32Å; C106-V110 PolarHBondContact O-N 3.05Å; C106-V110 VanDerWaalsContact O-N 3.1Å |
| 107 | I | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.4 | -68.8 | 167.4 | 0 | 0 | 0 | 110.3 | A29 V68 L103 S104 H105 V109 V110 L111 L131 | A29-I107 HydrophobicContact CB-CG1 3.79Å; V68-I107 HydrophobicContact CG2-CD1 4.28Å; L103-I107 HydrophobicContact CD1-CD1 4.3Å; L103-I107 HydrophobicContact CD1-CG1 4.3Å; L103-I107 HydrophobicContact CG-CD1 4.09Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 3.03Å; S104-I107 PolarHBondContact O-N 3.23Å; H105-I107 VanDerWaalsContact C-N 3.31Å; H105-I107 PolarHBondContact O-N 3.2Å; I107-V109 VanDerWaalsContact C-N 3.34Å; I107-V109 PolarHBondContact O-N 3.47Å; I107-V110 PolarHBondContact O-N 3.33Å; I107-L111 HydrophobicContact CG2-CD1 3.72Å; I107-L111 HydrophobicContact CG2-CG 4.22Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.26Å; I107-L111 PolarHBondContact O-N 2.68Å; I107-L131 HydrophobicContact CB-CD1 4.44Å; I107-L131 HydrophobicContact CG2-CD1 4.2Å |
| 108 | M | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 179.2 | -69.8 | -173.6 | -63.9 | 0 | 0 | 112.8 | S104 H105 L111 S112 F119 V127 D128 L131 | S104-M108 WeakPolarHBondContact O-CG 3.38Å; S104-M108 PolarHBondContact O-N 2.98Å; H105-M108 PolarHBondContact O-N 2.95Å; M108-L111 PolarHBondContact O-N 3.29Å; M108-S112 WeakPolarHBondContact O-CB 3.3Å; M108-S112 PolarHBondContact O-N 3.32Å; M108-S112 PolarHBondContact O-OG 3.35Å; M108-F119 HydrophobicContact CB-CZ 4.36Å; M108-F119 HydrophobicContact CG-CZ 4.33Å; M108-V127 HydrophobicContact CG-CG1 4.23Å; M108-D128 HydrophobicContact CE-CB 4.44Å; M108-D128 WeakPolarHBondContact CE-OD1 3.38Å; M108-D128 HydrophobicContact SD-CB 3.7Å; M108-L131 HydrophobicContact CG-CD1 3.82Å; M108-L131 HydrophobicContact SD-CD1 4.37Å |
| 109 | V | 98.8 | Very high | 98.2 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -49.8 | 173.4 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | H105 C106 I107 S112 M113 | H105-V109 WeakPolarHBondContact O-CG2 3.4Å; H105-V109 PolarHBondContact O-N 2.87Å; C106-V109 PolarHBondContact O-N 3.44Å; I107-V109 VanDerWaalsContact C-N 3.34Å; I107-V109 PolarHBondContact O-N 3.47Å; V109-S112 PolarHBondContact O-N 3.16Å; V109-S112 PolarHBondContact O-OG 3.37Å; V109-M113 HydrophobicContact CG1-SD 4.04Å; V109-M113 WeakPolarHBondContact O-CG 3.31Å; V109-M113 PolarHBondContact O-N 3.11Å |
| 110 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | I25 E28 A29 C106 I107 S112 M113 L114 | I25-V110 HydrophobicContact CB-CG1 4.34Å; I25-V110 HydrophobicContact CG1-CG1 4.35Å; I25-V110 HydrophobicContact CG2-CG1 4.22Å; E28-V110 HydrophobicContact CB-CG1 4.17Å; E28-V110 HydrophobicContact CB-CG2 4Å; E28-V110 HydrophobicContact CG-CG1 4.49Å; E28-V110 HydrophobicContact CG-CG2 3.85Å; A29-V110 HydrophobicContact CB-CG2 4.22Å; C106-V110 WeakPolarHBondContact O-CG2 3.32Å; C106-V110 PolarHBondContact O-N 3.05Å; C106-V110 VanDerWaalsContact O-N 3.1Å; I107-V110 PolarHBondContact O-N 3.33Å; V110-S112 VanDerWaalsContact C-N 3.31Å; V110-S112 PolarHBondContact O-N 3.41Å; V110-M113 PolarHBondContact O-N 2.69Å; V110-M113 VanDerWaalsContact O-N 3.15Å; V110-L114 HydrophobicContact CG1-CD1 3.73Å; V110-L114 HydrophobicContact CG1-CG 4.02Å; V110-L114 WeakPolarHBondContact O-CB 3.46Å; V110-L114 WeakPolarHBondContact O-CG 3.49Å; V110-L114 PolarHBondContact O-N 3.09Å |
| 111 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 174.6 | -69.7 | 169.7 | 0 | 0 | 0 | 111.6 | F14 V18 I25 I107 M108 M113 L114 F115 F119 V127 | F14-L111 HydrophobicContact CE1-CB 4.48Å; F14-L111 HydrophobicContact CE1-CD1 4.06Å; F14-L111 HydrophobicContact CE1-CD2 3.92Å; F14-L111 HydrophobicContact CE1-CG 4.37Å; F14-L111 HydrophobicContact CZ-CB 4.49Å; F14-L111 HydrophobicContact CZ-CD2 4.26Å; V18-L111 HydrophobicContact CG1-CD2 4.44Å; V18-L111 HydrophobicContact CG2-CD2 4.12Å; I25-L111 HydrophobicContact CD1-CD2 3.94Å; I25-L111 HydrophobicContact CG1-CD2 4.45Å; I25-L111 HydrophobicContact CG2-CD2 4.3Å; I107-L111 HydrophobicContact CG2-CD1 3.72Å; I107-L111 HydrophobicContact CG2-CG 4.22Å; I107-L111 VanDerWaalsContact O-CG 3.29Å; I107-L111 WeakPolarHBondContact O-CG 3.26Å; I107-L111 PolarHBondContact O-N 2.68Å; M108-L111 PolarHBondContact O-N 3.29Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 2.96Å; L111-F115 HydrophobicContact CD2-CD2 4.49Å; L111-F115 WeakPolarHBondContact O-CB 3.4Å; L111-F115 PolarHBondContact O-N 3.42Å; L111-F119 HydrophobicContact CB-CD2 4.15Å; L111-F119 HydrophobicContact CB-CE2 4.04Å; L111-F119 HydrophobicContact CB-CZ 4.43Å; L111-F119 HydrophobicContact CD1-CE2 4.25Å; L111-V127 HydrophobicContact CD1-CG1 4.15Å |
| 112 | S | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 48.9 Ų | 48.9 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.8 | -31.2 | 178.2 | 75.9 | 0 | 0 | 0 | 0 | 113.5 | M108 V109 V110 A116 | M108-S112 WeakPolarHBondContact O-CB 3.3Å; M108-S112 PolarHBondContact O-N 3.32Å; M108-S112 PolarHBondContact O-OG 3.35Å; V109-S112 PolarHBondContact O-N 3.16Å; V109-S112 PolarHBondContact O-OG 3.37Å; V110-S112 VanDerWaalsContact C-N 3.31Å; V110-S112 PolarHBondContact O-N 3.41Å; S112-A116 WeakPolarHBondContact O-CA 3.23Å; S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.37Å |
| 113 | M | 98.4 | Very high | 98.2 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 50% | 0.502 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.8 | -41.7 | 178.4 | -74.3 | -179.5 | 51.8 | 0 | 0 | 112.1 | R32 V109 V110 L111 | R32-M113 PolarHBondContact NH2-SD 3.31Å; V109-M113 HydrophobicContact CG1-SD 4.04Å; V109-M113 WeakPolarHBondContact O-CG 3.31Å; V109-M113 PolarHBondContact O-N 3.11Å; V110-M113 PolarHBondContact O-N 2.69Å; V110-M113 VanDerWaalsContact O-N 3.15Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 3.08Å |
| 114 | L | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -83.1 | -22.8 | -174.9 | -64.9 | -169.3 | 0 | 0 | 0 | 113.5 | R21 E24 I25 V110 L111 | R21-L114 PolarHBondContact NH1-O 3.47Å; E24-L114 HydrophobicContact CG-CD1 4.28Å; I25-L114 HydrophobicContact CG1-CD1 3.94Å; V110-L114 HydrophobicContact CG1-CD1 3.73Å; V110-L114 HydrophobicContact CG1-CG 4.02Å; V110-L114 WeakPolarHBondContact O-CB 3.46Å; V110-L114 WeakPolarHBondContact O-CG 3.49Å; V110-L114 PolarHBondContact O-N 3.09Å; L111-L114 PolarHBondContact O-N 2.96Å |
| 115 | F | 97.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.083 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -136.2 | 47 | -175.3 | -57.3 | -84.9 | 0 | 0 | 0 | 110.9 | V18 R21 I25 L111 E117 E118 F119 | V18-F115 HydrophobicContact CB-CD2 4.22Å; V18-F115 HydrophobicContact CB-CE1 4.14Å; V18-F115 HydrophobicContact CB-CE2 3.59Å; V18-F115 HydrophobicContact CB-CZ 3.51Å; V18-F115 HydrophobicContact CG1-CD1 3.85Å; V18-F115 HydrophobicContact CG1-CD2 3.58Å; V18-F115 HydrophobicContact CG1-CE1 3.7Å; V18-F115 HydrophobicContact CG1-CE2 3.45Å; V18-F115 VanDerWaalsContact CG1-CE2 3.45Å; V18-F115 HydrophobicContact CG1-CG 3.77Å; V18-F115 HydrophobicContact CG1-CZ 3.49Å; V18-F115 VanDerWaalsContact CG1-CZ 3.49Å; R21-F115 HydrophobicContact CB-CZ 4.15Å; R21-F115 HydrophobicContact CG-CZ 4.21Å; I25-F115 HydrophobicContact CD1-CE2 4.02Å; L111-F115 HydrophobicContact CD2-CD2 4.49Å; L111-F115 WeakPolarHBondContact O-CB 3.4Å; L111-F115 PolarHBondContact O-N 3.42Å; F115-E117 VanDerWaalsContact C-N 3.3Å; F115-E117 PolarHBondContact O-N 2.89Å; F115-E118 HydrophobicContact CB-CB 4.16Å; F115-E118 CarbonylContact O-C 3.1Å; F115-E118 PolarHBondContact O-N 2.97Å; F115-E118 VanDerWaalsContact O-N 3.1Å; F115-F119 VanDerWaalsContact O-CB 3.3Å; F115-F119 WeakPolarHBondContact O-CB 3.33Å; F115-F119 PolarHBondContact O-N 2.93Å |
| 116 | A | 96.1 | Very high | 98.2 | Very high | 73 Ų | 73 | 51 Ų | 51 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S112 | S112-A116 WeakPolarHBondContact O-CA 3.23Å; S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.37Å |
| 117 | E | 97 | Very high | 98.2 | Very high | 177 Ų | 177 | 50.8 Ų | 50.8 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -35 | 178.6 | -63.5 | -176 | -176.7 | 0 | 0 | 111.6 | F115 | F115-E117 VanDerWaalsContact C-N 3.3Å; F115-E117 PolarHBondContact O-N 2.89Å |
| 118 | E | 96.9 | Very high | 98.2 | Very high | 59 Ų | 59 | 54 Ų | 54 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -32.6 | 178 | -67.6 | 79.4 | -178.6 | 0 | 0 | 114.3 | F14 K17 F115 T120 I123 | F14-E118 HydrophobicContact CE2-CB 4.13Å; K17-E118 HydrophobicContact CD-CG 4.07Å; K17-E118 VanDerWaalsContact CE-CG 3.49Å; K17-E118 WeakPolarHBondContact CE-OE1 3.17Å; K17-E118 IonicContact NZ-OE1 2.7Å; K17-E118 PolarHBondContact NZ-OE1 2.92Å; F115-E118 HydrophobicContact CB-CB 4.16Å; F115-E118 CarbonylContact O-C 3.1Å; F115-E118 PolarHBondContact O-N 2.97Å; F115-E118 VanDerWaalsContact O-N 3.1Å; E118-T120 PolarHBondContact O-N 3.48Å; E118-I123 WeakPolarHBondContact O-CD1 3.25Å |
| 119 | F | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | trans | -79.4 | 55.4 | -173.6 | -158.9 | -109.5 | 0 | 0 | 0 | 111.4 | F14 M108 L111 F115 I123 H124 V127 | F14-F119 AromaticContact CE1-CD2 3.84Å; F14-F119 HydrophobicContact CE1-CD2 3.84Å; F14-F119 AromaticContact CE1-CE2 4Å; F14-F119 HydrophobicContact CE1-CE2 4Å; F14-F119 HydrophobicContact CE2-CD2 4.13Å; F14-F119 AromaticContact CZ-CD2 3.49Å; F14-F119 HydrophobicContact CZ-CD2 3.49Å; F14-F119 VanDerWaalsContact CZ-CD2 3.49Å; F14-F119 HydrophobicContact CZ-CE2 4.12Å; F14-F119 HydrophobicContact CZ-CG 4.5Å; M108-F119 HydrophobicContact CB-CZ 4.36Å; M108-F119 HydrophobicContact CG-CZ 4.33Å; L111-F119 HydrophobicContact CB-CD2 4.15Å; L111-F119 HydrophobicContact CB-CE2 4.04Å; L111-F119 HydrophobicContact CB-CZ 4.43Å; L111-F119 HydrophobicContact CD1-CE2 4.25Å; F115-F119 VanDerWaalsContact O-CB 3.3Å; F115-F119 WeakPolarHBondContact O-CB 3.33Å; F115-F119 PolarHBondContact O-N 2.93Å; F119-I123 HydrophobicContact CD2-CG2 3.6Å; F119-I123 HydrophobicContact CE2-CG2 3.86Å; F119-H124 HydrophobicContact CD1-CB 4.28Å; F119-H124 HydrophobicContact CE1-CB 3.75Å; F119-H124 AromaticContact CE1-CD2 3.84Å; F119-H124 AromaticContact CE1-CG 3.72Å; F119-H124 HydrophobicContact CZ-CB 3.99Å; F119-H124 AromaticContact CZ-CD2 3.94Å; F119-V127 HydrophobicContact CE2-CB 4.23Å; F119-V127 HydrophobicContact CE2-CG1 4.32Å; F119-V127 HydrophobicContact CE2-CG2 4.19Å; F119-V127 HydrophobicContact CZ-CB 4.48Å; F119-V127 HydrophobicContact CZ-CG1 4.47Å | ||
| 120 | T | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 53.3 Ų | 53.3 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | trans | -57.5 | 159.8 | 177.1 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | E118 Q122 I123 H124 | E118-T120 PolarHBondContact O-N 3.48Å; T120-Q122 PolarHBondContact O-N 3.47Å; T120-Q122 VanDerWaalsContact O-N 3.1Å; T120-I123 PolarHBondContact O-N 3.03Å; T120-I123 PolarHBondContact OG1-N 2.88Å; T120-H124 WeakPolarHBondContact O-CB 3.25Å; T120-H124 PolarHBondContact O-N 2.96Å | ||
| 121 | P | 98.5 | Very high | 98.2 | Very high | 96 Ų | 96 | 53.4 Ų | 53.4 | 62% | 0.623 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -53 | -34.2 | 175.5 | -28.3 | 36.3 | 0 | 0 | 0 | 113.9 | H124 V125 | P121-H124 PolarHBondContact O-N 3.32Å; P121-V125 WeakPolarHBondContact O-CG2 3.41Å; P121-V125 PolarHBondContact O-N 3.22Å |
| 122 | Q | 98.1 | Very high | 98.2 | Very high | 130 Ų | 130 | 55.4 Ų | 55.4 | 61% | 0.607 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.4 | -42.5 | 178.5 | -65.3 | 79.6 | 0.3 | 0 | 0 | 112 | T120 A126 | T120-Q122 PolarHBondContact O-N 3.47Å; T120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-A126 PolarHBondContact O-N 2.96Å |
| 123 | I | 98.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 54.4 Ų | 54.4 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 173.8 | -77.7 | 164.1 | 0 | 0 | 0 | 110 | I10 F14 E118 F119 T120 V125 A126 V127 | I10-I123 HydrophobicContact CG2-CB 4.41Å; I10-I123 HydrophobicContact CG2-CG1 3.75Å; F14-I123 HydrophobicContact CB-CG2 4.29Å; F14-I123 HydrophobicContact CD1-CG2 3.93Å; F14-I123 HydrophobicContact CD2-CD1 3.97Å; F14-I123 HydrophobicContact CD2-CG2 3.66Å; F14-I123 HydrophobicContact CE1-CG2 4.17Å; F14-I123 HydrophobicContact CE2-CG2 3.92Å; F14-I123 HydrophobicContact CG-CG2 3.67Å; F14-I123 HydrophobicContact CZ-CG2 4.18Å; E118-I123 WeakPolarHBondContact O-CD1 3.25Å; F119-I123 HydrophobicContact CD2-CG2 3.6Å; F119-I123 HydrophobicContact CE2-CG2 3.86Å; T120-I123 PolarHBondContact O-N 3.03Å; T120-I123 PolarHBondContact OG1-N 2.88Å; I123-V125 PolarHBondContact O-N 3.43Å; I123-A126 PolarHBondContact O-N 3.41Å; I123-V127 HydrophobicContact CG2-CG2 4.03Å; I123-V127 WeakPolarHBondContact O-CB 3.33Å; I123-V127 WeakPolarHBondContact O-CG2 3.36Å; I123-V127 PolarHBondContact O-N 3.37Å |
| 124 | H | 98.7 | Very high | 98.3 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.2 | -50 | 177.9 | -177.3 | -172.1 | 0 | 0 | 0 | 111.5 | F119 T120 P121 A126 V127 D128 | F119-H124 HydrophobicContact CD1-CB 4.28Å; F119-H124 HydrophobicContact CE1-CB 3.75Å; F119-H124 AromaticContact CE1-CD2 3.84Å; F119-H124 AromaticContact CE1-CG 3.72Å; F119-H124 HydrophobicContact CZ-CB 3.99Å; F119-H124 AromaticContact CZ-CD2 3.94Å; T120-H124 WeakPolarHBondContact O-CB 3.25Å; T120-H124 PolarHBondContact O-N 2.96Å; P121-H124 PolarHBondContact O-N 3.32Å; H124-A126 VanDerWaalsContact C-N 3.33Å; H124-A126 PolarHBondContact O-N 2.93Å; H124-V127 PolarHBondContact O-N 3.03Å; H124-D128 VanDerWaalsContact O-CB 3.3Å; H124-D128 WeakPolarHBondContact O-CB 3.39Å; H124-D128 PolarHBondContact O-N 2.81Å |
| 125 | V | 98.4 | Very high | 98.3 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 177.8 | 170 | 0 | 0 | 0 | 0 | 112 | P121 I123 K129 | P121-V125 WeakPolarHBondContact O-CG2 3.41Å; P121-V125 PolarHBondContact O-N 3.22Å; I123-V125 PolarHBondContact O-N 3.43Å; V125-K129 HydrophobicContact CG1-CD 4.18Å; V125-K129 WeakPolarHBondContact O-CB 3.39Å; V125-K129 WeakPolarHBondContact O-CG 3.4Å; V125-K129 PolarHBondContact O-N 2.86Å |
| 126 | A | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E7 I10 V11 Q122 I123 H124 F130 | E7-A126 HydrophobicContact CB-CB 4.2Å; E7-A126 HydrophobicContact CG-CB 4.24Å; I10-A126 HydrophobicContact CB-CB 4.05Å; I10-A126 HydrophobicContact CG2-CB 3.59Å; V11-A126 HydrophobicContact CG2-CB 4.11Å; V11-A126 WeakPolarHBondContact CG2-O 3.3Å; Q122-A126 PolarHBondContact O-N 2.96Å; I123-A126 PolarHBondContact O-N 3.41Å; H124-A126 VanDerWaalsContact C-N 3.33Å; H124-A126 PolarHBondContact O-N 2.93Å; A126-F130 WeakPolarHBondContact O-CB 3.38Å; A126-F130 PolarHBondContact O-N 3.2Å |
| 127 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | F14 F15 M108 L111 F119 I123 H124 F130 L131 | F14-V127 HydrophobicContact CD1-CG2 3.91Å; F14-V127 HydrophobicContact CE1-CG2 4.37Å; F15-V127 HydrophobicContact CE2-CG1 4.4Å; F15-V127 HydrophobicContact CE2-CG2 4.28Å; M108-V127 HydrophobicContact CG-CG1 4.23Å; L111-V127 HydrophobicContact CD1-CG1 4.15Å; F119-V127 HydrophobicContact CE2-CB 4.23Å; F119-V127 HydrophobicContact CE2-CG1 4.32Å; F119-V127 HydrophobicContact CE2-CG2 4.19Å; F119-V127 HydrophobicContact CZ-CB 4.48Å; F119-V127 HydrophobicContact CZ-CG1 4.47Å; I123-V127 HydrophobicContact CG2-CG2 4.03Å; I123-V127 WeakPolarHBondContact O-CB 3.33Å; I123-V127 WeakPolarHBondContact O-CG2 3.36Å; I123-V127 PolarHBondContact O-N 3.37Å; H124-V127 PolarHBondContact O-N 3.03Å; V127-F130 PolarHBondContact O-N 3.35Å; V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.29Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 WeakPolarHBondContact O-CG 3.23Å; V127-L131 PolarHBondContact O-N 2.88Å |
| 128 | D | 98.8 | Very high | 98.5 | Very high | 72 Ų | 72 | 42.3 Ų | 42.3 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 176.2 | 179.9 | 52 | 0 | 0 | 0 | 110.9 | M108 H124 F130 L131 A132 | M108-D128 HydrophobicContact CE-CB 4.44Å; M108-D128 WeakPolarHBondContact CE-OD1 3.38Å; M108-D128 HydrophobicContact SD-CB 3.7Å; H124-D128 VanDerWaalsContact O-CB 3.3Å; H124-D128 WeakPolarHBondContact O-CB 3.39Å; H124-D128 PolarHBondContact O-N 2.81Å; D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 2.74Å; D128-L131 PolarHBondContact O-N 2.75Å; D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.32Å |
| 129 | K | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 41.1 Ų | 41.1 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -40.9 | 174.9 | -75.4 | -179.5 | 63.8 | -178.4 | 0 | 112.4 | M1 S2 L3 E7 V125 L133 | M1-K129 HydrophobicContact SD-CG 4.18Å; S2-K129 WeakPolarHBondContact O-CE 3.26Å; S2-K129 PolarHBondContact O-NZ 3.43Å; L3-K129 HydrophobicContact CD2-CB 3.89Å; E7-K129 VanDerWaalsContact OE1-CD 3.24Å; E7-K129 WeakPolarHBondContact OE1-CD 3.36Å; E7-K129 WeakPolarHBondContact OE1-CE 3.4Å; E7-K129 IonicContact OE1-NZ 2.71Å; E7-K129 PolarHBondContact OE1-NZ 3.37Å; E7-K129 IonicContact OE2-NZ 2.86Å; E7-K129 PolarHBondContact OE2-NZ 3.45Å; V125-K129 HydrophobicContact CG1-CD 4.18Å; V125-K129 WeakPolarHBondContact O-CB 3.39Å; V125-K129 WeakPolarHBondContact O-CG 3.4Å; V125-K129 PolarHBondContact O-N 2.86Å; K129-L133 VanDerWaalsContact O-CG 3.31Å; K129-L133 WeakPolarHBondContact O-CG 3.28Å; K129-L133 PolarHBondContact O-N 3.48Å; K129-L133 VanDerWaalsContact O-N 3.11Å |
| 130 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -51 | 176.6 | 165.3 | -108.8 | 0 | 0 | 0 | 111.6 | L3 V11 F15 V68 A71 V72 I75 L78 A126 V127 D128 A132 L133 V134 | L3-F130 HydrophobicContact CD1-CB 4.14Å; L3-F130 HydrophobicContact CD1-CD2 4.14Å; L3-F130 HydrophobicContact CD2-CB 4.37Å; V11-F130 HydrophobicContact CG1-CB 4.25Å; V11-F130 HydrophobicContact CG1-CD1 3.89Å; V11-F130 HydrophobicContact CG1-CD2 4.05Å; V11-F130 HydrophobicContact CG1-CE1 4.23Å; V11-F130 HydrophobicContact CG1-CE2 4.38Å; V11-F130 HydrophobicContact CG1-CG 3.79Å; V11-F130 HydrophobicContact CG1-CZ 4.46Å; V11-F130 HydrophobicContact CG2-CB 3.79Å; V11-F130 HydrophobicContact CG2-CG 4.25Å; F15-F130 HydrophobicContact CE2-CD1 4.1Å; F15-F130 HydrophobicContact CE2-CE1 4.03Å; F15-F130 HydrophobicContact CZ-CE1 4.18Å; V68-F130 HydrophobicContact CG1-CE1 4.07Å; A71-F130 HydrophobicContact CB-CE2 4.2Å; A71-F130 HydrophobicContact CB-CZ 3.81Å; V72-F130 HydrophobicContact CB-CZ 4.37Å; V72-F130 HydrophobicContact CG2-CE1 3.82Å; V72-F130 HydrophobicContact CG2-CE2 4.28Å; V72-F130 HydrophobicContact CG2-CZ 3.5Å; V72-F130 VanDerWaalsContact CG2-CZ 3.5Å; I75-F130 HydrophobicContact CD1-CD2 3.9Å; I75-F130 HydrophobicContact CD1-CE2 4.17Å; I75-F130 HydrophobicContact CG1-CD2 3.99Å; I75-F130 HydrophobicContact CG1-CE2 4.12Å; L78-F130 HydrophobicContact CD1-CD2 4.5Å; L78-F130 HydrophobicContact CD2-CE2 4.25Å; A126-F130 WeakPolarHBondContact O-CB 3.38Å; A126-F130 PolarHBondContact O-N 3.2Å; V127-F130 PolarHBondContact O-N 3.35Å; D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 2.74Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 3.05Å; F130-L133 WeakPolarHBondContact O-CB 3.17Å; F130-L133 PolarHBondContact O-N 3.13Å; F130-V134 HydrophobicContact CD2-CG2 4.19Å; F130-V134 HydrophobicContact CE1-CG2 4.15Å; F130-V134 HydrophobicContact CE2-CG2 3.74Å; F130-V134 HydrophobicContact CZ-CG2 3.71Å; F130-V134 WeakPolarHBondContact O-CG2 3.45Å; F130-V134 PolarHBondContact O-N 3.13Å |
| 131 | L | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -33.6 | 179.8 | -69.1 | 174.6 | 0 | 0 | 0 | 112.3 | I107 M108 V127 D128 L133 V134 A135 | I107-L131 HydrophobicContact CB-CD1 4.44Å; I107-L131 HydrophobicContact CG2-CD1 4.2Å; M108-L131 HydrophobicContact CG-CD1 3.82Å; M108-L131 HydrophobicContact SD-CD1 4.37Å; V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.29Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 WeakPolarHBondContact O-CG 3.23Å; V127-L131 PolarHBondContact O-N 2.88Å; D128-L131 PolarHBondContact O-N 2.75Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-V134 PolarHBondContact O-N 3.14Å; L131-A135 WeakPolarHBondContact O-CB 3.36Å; L131-A135 PolarHBondContact O-N 2.99Å |
| 132 | A | 98.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 34% | 0.339 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D128 F130 A135 L136 | D128-A132 WeakPolarHBondContact O-CB 3.4Å; D128-A132 PolarHBondContact O-N 3.32Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 3.05Å; A132-A135 PolarHBondContact O-N 3.45Å; A132-L136 PolarHBondContact O-N 2.96Å |
| 133 | L | 98.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.6 | -33.1 | 175.2 | -68.9 | 169.8 | 0 | 0 | 0 | 112.7 | M1 L3 L78 K129 F130 L131 L136 A137 | M1-L133 WeakPolarHBondContact O-CD2 3.43Å; L3-L133 HydrophobicContact CB-CD1 4.49Å; L3-L133 HydrophobicContact CD1-CD1 3.96Å; L3-L133 HydrophobicContact CG-CD1 3.64Å; L78-L133 HydrophobicContact CD1-CB 3.6Å; K129-L133 VanDerWaalsContact O-CG 3.31Å; K129-L133 WeakPolarHBondContact O-CG 3.28Å; K129-L133 PolarHBondContact O-N 3.48Å; K129-L133 VanDerWaalsContact O-N 3.11Å; F130-L133 WeakPolarHBondContact O-CB 3.17Å; F130-L133 PolarHBondContact O-N 3.13Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L133-L136 HydrophobicContact CD2-CD2 4.33Å; L133-L136 PolarHBondContact O-N 2.92Å; L133-A137 WeakPolarHBondContact O-CB 3.35Å; L133-A137 PolarHBondContact O-N 3.2Å |
| 134 | V | 98.7 | Very high | 97.7 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -47 | 170 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | A71 L78 L82 F130 L131 L136 A137 L138 | A71-V134 HydrophobicContact CB-CG2 3.7Å; L78-V134 HydrophobicContact CD1-CG2 4.38Å; L78-V134 HydrophobicContact CD2-CG2 4.31Å; L82-V134 HydrophobicContact CD1-CG1 3.98Å; L82-V134 HydrophobicContact CD1-CG2 4.48Å; F130-V134 HydrophobicContact CD2-CG2 4.19Å; F130-V134 HydrophobicContact CE1-CG2 4.15Å; F130-V134 HydrophobicContact CE2-CG2 3.74Å; F130-V134 HydrophobicContact CZ-CG2 3.71Å; F130-V134 WeakPolarHBondContact O-CG2 3.45Å; F130-V134 PolarHBondContact O-N 3.13Å; L131-V134 PolarHBondContact O-N 3.14Å; V134-L136 VanDerWaalsContact C-N 3.3Å; V134-L136 PolarHBondContact O-N 3.08Å; V134-A137 PolarHBondContact O-N 3.4Å; V134-L138 HydrophobicContact CG1-CD1 4.14Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.3Å |
| 135 | A | 98.5 | Very high | 97.6 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F100 L131 A132 L138 S139 | F100-A135 HydrophobicContact CB-CB 3.62Å; F100-A135 HydrophobicContact CG-CB 4.42Å; L131-A135 WeakPolarHBondContact O-CB 3.36Å; L131-A135 PolarHBondContact O-N 2.99Å; A132-A135 PolarHBondContact O-N 3.45Å; A135-L138 PolarHBondContact O-N 3.14Å; A135-S139 WeakPolarHBondContact O-CB 3.29Å; A135-S139 PolarHBondContact O-N 2.99Å; A135-S139 PolarHBondContact O-OG 3.3Å |
| 136 | L | 98.1 | Very high | 97.6 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 51% | 0.508 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -48.9 | 174.3 | -179.5 | 62.8 | 0 | 0 | 0 | 111.4 | A132 L133 V134 L138 S139 E140 | A132-L136 PolarHBondContact O-N 2.96Å; L133-L136 HydrophobicContact CD2-CD2 4.33Å; L133-L136 PolarHBondContact O-N 2.92Å; V134-L136 VanDerWaalsContact C-N 3.3Å; V134-L136 PolarHBondContact O-N 3.08Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 2.91Å; L136-S139 CarbonylContact O-C 3.56Å; L136-S139 WeakPolarHBondContact O-CA 3.32Å; L136-S139 WeakPolarHBondContact O-CB 3.45Å; L136-S139 PolarHBondContact O-N 3.42Å; L136-E140 PolarHBondContact O-N 3.44Å |
| 137 | A | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L78 L82 S86 L133 V134 S139 E140 | L78-A137 HydrophobicContact CB-CB 3.92Å; L78-A137 WeakPolarHBondContact O-CB 2.94Å; L82-A137 HydrophobicContact CB-CB 4.38Å; L82-A137 HydrophobicContact CD1-CB 4.04Å; S86-A137 PolarHBondContact OG-O 3.3Å; L133-A137 WeakPolarHBondContact O-CB 3.35Å; L133-A137 PolarHBondContact O-N 3.2Å; V134-A137 PolarHBondContact O-N 3.4Å; A137-S139 PolarHBondContact O-N 3.02Å; A137-E140 WeakPolarHBondContact O-CB 3.48Å; A137-E140 WeakPolarHBondContact O-CG 3.46Å; A137-E140 PolarHBondContact O-N 2.89Å |
| 138 | L | 98.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -25.3 | 173 | -68.5 | 176.1 | 0 | 0 | 0 | 112.3 | L82 L85 S86 F100 V134 A135 L136 Y142 | L82-L138 HydrophobicContact CB-CD2 4.48Å; L85-L138 HydrophobicContact CB-CD2 3.53Å; L85-L138 HydrophobicContact CD1-CD2 4.49Å; S86-L138 WeakPolarHBondContact CA-O 3.35Å; S86-L138 WeakPolarHBondContact CB-O 3.46Å; S86-L138 PolarHBondContact OG-O 3.44Å; F100-L138 HydrophobicContact CD1-CD1 3.96Å; F100-L138 HydrophobicContact CD2-CB 4.29Å; F100-L138 HydrophobicContact CE1-CB 4.2Å; F100-L138 HydrophobicContact CE1-CD1 3.82Å; F100-L138 HydrophobicContact CE2-CB 3.81Å; F100-L138 HydrophobicContact CZ-CB 3.75Å; F100-L138 HydrophobicContact CZ-CD1 4.25Å; V134-L138 HydrophobicContact CG1-CD1 4.14Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.3Å; A135-L138 PolarHBondContact O-N 3.14Å; L136-L138 VanDerWaalsContact C-N 3.34Å; L136-L138 PolarHBondContact O-N 2.91Å; L138-Y142 VanDerWaalsContact O-CE2 3.29Å; L138-Y142 WeakPolarHBondContact O-CE2 3.23Å |
| 139 | S | 97.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.3 | -179.8 | -55.6 | 0 | 0 | 0 | 0 | 114.3 | A135 L136 A137 K141 Y142 | A135-S139 WeakPolarHBondContact O-CB 3.29Å; A135-S139 PolarHBondContact O-N 2.99Å; A135-S139 PolarHBondContact O-OG 3.3Å; L136-S139 CarbonylContact O-C 3.56Å; L136-S139 WeakPolarHBondContact O-CA 3.32Å; L136-S139 WeakPolarHBondContact O-CB 3.45Å; L136-S139 PolarHBondContact O-N 3.42Å; A137-S139 PolarHBondContact O-N 3.02Å; S139-K141 VanDerWaalsContact C-N 3.29Å; S139-K141 PolarHBondContact O-N 2.89Å; S139-Y142 WeakPolarHBondContact O-CD2 3.38Å; S139-Y142 PolarHBondContact O-N 3.37Å |
| 140 | E | 95.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -36.5 | -174.3 | -77.7 | -68 | 136.7 | 0 | 0 | 113.7 | A79 S86 L136 A137 | A79-E140 HydrophobicContact CB-CG 4.28Å; S86-E140 PolarHBondContact OG-N 2.67Å; L136-E140 PolarHBondContact O-N 3.44Å; A137-E140 WeakPolarHBondContact O-CB 3.48Å; A137-E140 WeakPolarHBondContact O-CG 3.46Å; A137-E140 PolarHBondContact O-N 2.89Å |
| 141 | K | 95.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 13.4 | -174.7 | -63.9 | -64.9 | -173.9 | -178.3 | 0 | 115.5 | L83 S86 E87 A90 F91 S139 R143 | L83-K141 HydrophobicContact CD1-CD 4.32Å; L83-K141 HydrophobicContact CD1-CG 4.26Å; S86-K141 WeakPolarHBondContact OG-CB 3.28Å; S86-K141 PolarHBondContact OG-N 3.07Å; E87-K141 HydrophobicContact CG-CB 4.32Å; E87-K141 HydrophobicContact CG-CD 4.43Å; E87-K141 HydrophobicContact CG-CG 3.83Å; A90-K141 HydrophobicContact CB-CB 4.19Å; A90-K141 WeakPolarHBondContact CB-O 3.37Å; F91-K141 HydrophobicContact CE2-CB 3.92Å; F91-K141 HydrophobicContact CZ-CB 4.37Å; F91-K141 WeakPolarHBondContact CZ-O 3.38Å; S139-K141 VanDerWaalsContact C-N 3.29Å; S139-K141 PolarHBondContact O-N 2.89Å; K141-R143 VanDerWaalsContact C-N 3.26Å; K141-R143 PolarHBondContact O-N 3.4Å |
| 142 | Y | 96.5 | Very high | 97 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | trans | -76.5 | -10.2 | -178.8 | -84.5 | -98.6 | 0 | 0 | 0 | 114.7 | H89 A90 V95 P97 F100 L138 S139 | H89-Y142 PolarHBondContact O-OH 2.99Å; A90-Y142 HydrophobicContact CB-CD1 4.29Å; A90-Y142 HydrophobicContact CB-CD2 3.69Å; A90-Y142 HydrophobicContact CB-CE1 4.25Å; A90-Y142 HydrophobicContact CB-CE2 3.72Å; A90-Y142 HydrophobicContact CB-CG 4.04Å; V95-Y142 WeakPolarHBondContact O-CE1 3.13Å; V95-Y142 PolarHBondContact O-OH 3.02Å; P97-Y142 VanDerWaalsContact CD-CE1 3.49Å; P97-Y142 HydrophobicContact CG-CD1 3.38Å; P97-Y142 HydrophobicContact CG-CD2 4.09Å; P97-Y142 HydrophobicContact CG-CE1 3.46Å; P97-Y142 VanDerWaalsContact CG-CE1 3.46Å; P97-Y142 HydrophobicContact CG-CE2 4.1Å; P97-Y142 HydrophobicContact CG-CG 3.7Å; F100-Y142 HydrophobicContact CE2-CE2 4.05Å; F100-Y142 HydrophobicContact CZ-CE2 4.33Å; F100-Y142 WeakPolarHBondContact CZ-OH 3.17Å; L138-Y142 VanDerWaalsContact O-CE2 3.29Å; L138-Y142 WeakPolarHBondContact O-CE2 3.23Å; S139-Y142 WeakPolarHBondContact O-CD2 3.38Å; S139-Y142 PolarHBondContact O-N 3.37Å | ||
| 143 | R | 89.4 | Confident | 96.8 | Very high | 298 Ų | 298 | 67.9 Ų | 67.9 | 100% | 1.125 | 31% | 0.309 | S | S | * | . | trans | -150.6 | 0 | -179.9 | 62.5 | -179 | 179 | 179 | -0.1 | 111.7 | K141 | K141-R143 VanDerWaalsContact C-N 3.26Å; K141-R143 PolarHBondContact O-N 3.4Å |
Retrieved 143 of 143 residues in 32.9 ms
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