| 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 | 40.6 | Very low | 54.5 | Low | 240 Ų | 240 | 121.5 Ų | 121.5 | 100% | 1.182 | 58% | 0.583 | S | S | * | * | 0 | 99.5 | 0 | -73.7 | 173 | 170.8 | 0 | 0 | 107.1 | |||||
| 2 | L | 46.9 | Very low | 54.8 | Low | 180 Ų | 180 | 114.6 Ų | 114.6 | 94% | 0.942 | 55% | 0.551 | S | S | * | * | trans | -77.5 | 119 | 173.9 | -90.4 | 149.1 | 0 | 0 | 0 | 106.8 | S4 | L2-S4 PolarHBondContact O-N 3.4Š| ||
| 3 | F | 49 | Very low | 55.1 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 61% | 0.614 | 51% | 0.514 | S | S | * | . | trans | -44.7 | 132.1 | 175.1 | -78.3 | -87.4 | 0 | 0 | 0 | 110.3 | L5 | F3-L5 PolarHBondContact O-N 3.26Š| ||
| 4 | S | 65.4 | Low | 55.6 | Low | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 48% | 0.48 | S | S | . | . | trans | -62 | 132.4 | 175 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | L2 R6 E7 L8 | L2-S4 PolarHBondContact O-N 3.4Å; S4-R6 PolarHBondContact O-N 3.41Å; S4-E7 PolarHBondContact N-OE2 3.45Å; S4-E7 WeakPolarHBondContact O-CA 3.5Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 3.05Å; S4-L8 PolarHBondContact O-N 3.48Å; S4-L8 VanDerWaalsContact O-N 3.08Å | ||
| 5 | L | 54.5 | Low | 56.4 | Low | 116 Ų | 116 | 94.9 Ų | 94.9 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -49.4 | -30 | 177 | -97.5 | 152.3 | 0 | 0 | 0 | 112.2 | F3 V9 | F3-L5 PolarHBondContact O-N 3.26Å; L5-V9 VanDerWaalsContact O-CB 3.24Å; L5-V9 WeakPolarHBondContact O-CB 3.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 3.16Å |
| 6 | R | 56.7 | Low | 57.5 | Low | 208 Ų | 208 | 94.9 Ų | 94.9 | 79% | 0.785 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.3 | -41.8 | 174.5 | -72.3 | -174.9 | 178 | -140.1 | -0.1 | 113.3 | S4 V9 Q10 | S4-R6 PolarHBondContact O-N 3.41Å; R6-V9 PolarHBondContact O-N 3.48Å; R6-Q10 VanDerWaalsContact O-CB 3.23Å; R6-Q10 WeakPolarHBondContact O-CB 3.43Å; R6-Q10 PolarHBondContact O-N 3.07Å |
| 7 | E | 57.4 | Low | 58.4 | Low | 101 Ų | 101 | 96.2 Ų | 96.2 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 176.6 | -71.9 | 167.3 | 156.9 | 0 | 0 | 110.1 | S4 V9 Q10 W11 | S4-E7 PolarHBondContact N-OE2 3.45Å; S4-E7 WeakPolarHBondContact O-CA 3.5Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 3.05Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.11Å; E7-Q10 CarbonylContact O-C 3.59Å; E7-Q10 PolarHBondContact O-N 3.42Å; E7-Q10 VanDerWaalsContact O-N 3.13Å; E7-W11 VanDerWaalsContact O-CB 3.26Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 VanDerWaalsContact O-CG 3.23Å; E7-W11 PolarHBondContact O-N 3.38Å |
| 8 | L | 55.9 | Low | 59.4 | Low | 71 Ų | 71 | 91.2 Ų | 91.2 | 37% | 0.372 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 177 | -161 | 71.6 | 0 | 0 | 0 | 111.6 | S4 Q10 W11 L12 L19 | S4-L8 PolarHBondContact O-N 3.48Å; S4-L8 VanDerWaalsContact O-N 3.08Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 3.5Å; L8-W11 PolarHBondContact O-N 3.28Å; L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L8-L19 HydrophobicContact CD2-CD1 4.28Å |
| 9 | V | 58.8 | Low | 60.3 | Low | 30 Ų | 30 | 88.4 Ų | 88.4 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 173.2 | 159 | 0 | 0 | 0 | 0 | 111.8 | L5 R6 E7 G13 F14 L19 | L5-V9 VanDerWaalsContact O-CB 3.24Å; L5-V9 WeakPolarHBondContact O-CB 3.37Å; L5-V9 WeakPolarHBondContact O-CG2 3.27Å; L5-V9 PolarHBondContact O-N 3.16Å; R6-V9 PolarHBondContact O-N 3.48Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.11Å; V9-G13 VanDerWaalsContact O-CA 3.28Å; V9-G13 WeakPolarHBondContact O-CA 3.45Å; V9-G13 PolarHBondContact O-N 3.32Å; V9-F14 WeakPolarHBondContact CG1-O 3.04Å; V9-L19 HydrophobicContact CG2-CD1 4.31Å |
| 10 | Q | 57.9 | Low | 61.4 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.3 | -31.3 | 178.7 | -166.8 | 155.8 | -29.1 | 0 | 0 | 112.4 | R6 E7 L8 R133 | R6-Q10 VanDerWaalsContact O-CB 3.23Å; R6-Q10 WeakPolarHBondContact O-CB 3.43Å; R6-Q10 PolarHBondContact O-N 3.07Å; E7-Q10 CarbonylContact O-C 3.59Å; E7-Q10 PolarHBondContact O-N 3.42Å; E7-Q10 VanDerWaalsContact O-N 3.13Å; L8-Q10 VanDerWaalsContact C-N 3.34Å; L8-Q10 PolarHBondContact O-N 3.5Å; Q10-R133 PolarHBondContact O-NH2 2.79Å |
| 11 | W | 56.1 | Low | 62.5 | Low | 62 Ų | 62 | 89.2 Ų | 89.2 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -84.4 | -39.4 | -179.6 | -75.8 | 41.4 | 0 | 0 | 0 | 113.2 | E7 L8 R133 A134 | E7-W11 VanDerWaalsContact O-CB 3.26Å; E7-W11 WeakPolarHBondContact O-CB 3.48Å; E7-W11 VanDerWaalsContact O-CG 3.23Å; E7-W11 PolarHBondContact O-N 3.38Å; L8-W11 PolarHBondContact O-N 3.28Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.13Å; W11-R133 PolarHBondContact O-NH1 3.08Å; W11-R133 PolarHBondContact O-NH2 3.44Å; W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 VanDerWaalsContact CH2-CA 3.43Å; W11-A134 HydrophobicContact CH2-CB 3.24Å; W11-A134 HydrophobicContact CZ2-CB 4.24Å; W11-A134 HydrophobicContact CZ3-CB 2.97Å |
| 12 | L | 58 | Low | 64.5 | Low | 38 Ų | 38 | 79.5 Ų | 79.5 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -77.5 | -31.3 | 175.2 | -138.7 | 74.3 | 0 | 0 | 0 | 109.9 | L8 F14 L130 R133 | L8-L12 VanDerWaalsContact O-CB 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.47Å; L8-L12 PolarHBondContact O-N 3.17Å; L12-F14 HydrophobicContact CB-CB 4.35Å; L12-F14 HydrophobicContact CB-CD2 3.66Å; L12-F14 HydrophobicContact CB-CE2 4.43Å; L12-F14 HydrophobicContact CB-CG 4.43Å; L12-F14 HydrophobicContact CD2-CB 4.16Å; L12-F14 HydrophobicContact CD2-CD2 3.32Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 3.84Å; L12-F14 HydrophobicContact CG-CD2 3.3Å; L12-F14 HydrophobicContact CG-CE2 3.64Å; L12-F14 HydrophobicContact CG-CG 4.24Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 2.95Å; L12-L130 HydrophobicContact CD1-CD2 3.81Å; L12-R133 PolarHBondContact O-NH1 2.85Å |
| 13 | G | 59 | Low | 66.2 | Low | 6 Ų | 6 | 75.5 Ų | 75.5 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | trans | 79.3 | 0.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V9 R83 | V9-G13 VanDerWaalsContact O-CA 3.28Å; V9-G13 WeakPolarHBondContact O-CA 3.45Å; V9-G13 PolarHBondContact O-N 3.32Å; G13-R83 PolarHBondContact O-NE 3.42Å; G13-R83 PolarHBondContact O-NH2 2.95Å | ||
| 14 | F | 61.5 | Low | 68 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | trans | -79.6 | 148.6 | -179.6 | -79.2 | -103.6 | 0 | 0 | 0 | 112.2 | V9 L12 E18 V87 V90 L91 | V9-F14 WeakPolarHBondContact CG1-O 3.04Å; L12-F14 HydrophobicContact CB-CB 4.35Å; L12-F14 HydrophobicContact CB-CD2 3.66Å; L12-F14 HydrophobicContact CB-CE2 4.43Å; L12-F14 HydrophobicContact CB-CG 4.43Å; L12-F14 HydrophobicContact CD2-CB 4.16Å; L12-F14 HydrophobicContact CD2-CD2 3.32Å; L12-F14 HydrophobicContact CD2-CE2 3.71Å; L12-F14 HydrophobicContact CD2-CG 3.84Å; L12-F14 HydrophobicContact CG-CD2 3.3Å; L12-F14 HydrophobicContact CG-CE2 3.64Å; L12-F14 HydrophobicContact CG-CG 4.24Å; L12-F14 WeakPolarHBondContact O-CD2 3.5Å; L12-F14 PolarHBondContact O-N 2.95Å; F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CB-CB 4.46Å; F14-E18 WeakPolarHBondContact CB-OE2 3.45Å; F14-E18 HydrophobicContact CD1-CB 3.75Å; F14-E18 HydrophobicContact CD1-CG 4.32Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.29Å; F14-V87 HydrophobicContact CD1-CG1 4.45Å; F14-V87 HydrophobicContact CD2-CG1 4.35Å; F14-V87 HydrophobicContact CD2-CG2 4.46Å; F14-V87 HydrophobicContact CE1-CG1 4.08Å; F14-V87 HydrophobicContact CE2-CG1 3.98Å; F14-V87 HydrophobicContact CZ-CG1 3.88Å; F14-V90 HydrophobicContact CE2-CG1 3.94Å; F14-V90 HydrophobicContact CZ-CG1 4.22Å; F14-L91 HydrophobicContact CE1-CD1 3.41Å; F14-L91 VanDerWaalsContact CE1-CD1 3.41Å; F14-L91 HydrophobicContact CE1-CG 4.41Å; F14-L91 HydrophobicContact CE2-CD1 4.42Å; F14-L91 HydrophobicContact CZ-CD1 3.3Å; F14-L91 HydrophobicContact CZ-CG 4.27Å | ||
| 15 | A | 68.7 | Low | 68.9 | Low | 33 Ų | 33 | 68 Ų | 68 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -70.1 | 150 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F17 E18 L19 F63 | A15-F17 PolarHBondContact O-N 3.26Å; A15-F17 VanDerWaalsContact O-N 3.09Å; A15-E18 HydrophobicContact CB-CG 4.29Å; A15-E18 PolarHBondContact N-OE2 3.49Å; A15-E18 PolarHBondContact O-N 3.06Å; A15-L19 PolarHBondContact O-N 3.08Å; A15-F63 HydrophobicContact CB-CE1 3.9Å | ||
| 16 | T | 72.9 | Confident | 70.3 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.3 | -31.6 | 174.1 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | F20 | T16-F20 PolarHBondContact O-N 3.34Å; T16-F20 VanDerWaalsContact O-N 3.11Å |
| 17 | F | 74.1 | Confident | 71.7 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 52% | 0.518 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 175.6 | -178.5 | -100.7 | 0 | 0 | 0 | 113.2 | A15 L19 F20 L21 | A15-F17 PolarHBondContact O-N 3.26Å; A15-F17 VanDerWaalsContact O-N 3.09Å; F17-L19 VanDerWaalsContact C-N 3.27Å; F17-L19 PolarHBondContact O-N 3.44Å; F17-F20 PolarHBondContact O-N 3.09Å; F17-L21 HydrophobicContact CE1-CD1 3.85Å; F17-L21 HydrophobicContact CZ-CD1 3.92Å; F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 3.09Å |
| 18 | E | 75.5 | Confident | 73.1 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 178.2 | -65.3 | 172.2 | 142.7 | 0 | 0 | 110.5 | F14 A15 F20 L21 Q22 F63 T64 | F14-E18 VanDerWaalsContact CA-OE2 3.22Å; F14-E18 WeakPolarHBondContact CA-OE2 3.42Å; F14-E18 HydrophobicContact CB-CB 4.46Å; F14-E18 WeakPolarHBondContact CB-OE2 3.45Å; F14-E18 HydrophobicContact CD1-CB 3.75Å; F14-E18 HydrophobicContact CD1-CG 4.32Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.29Å; A15-E18 HydrophobicContact CB-CG 4.29Å; A15-E18 PolarHBondContact N-OE2 3.49Å; A15-E18 PolarHBondContact O-N 3.06Å; E18-F20 VanDerWaalsContact C-N 3.35Å; E18-F20 PolarHBondContact O-N 3.02Å; E18-L21 WeakPolarHBondContact O-CB 3.13Å; E18-L21 PolarHBondContact O-N 3.4Å; E18-Q22 PolarHBondContact O-N 2.86Å; E18-Q22 PolarHBondContact O-OE1 3.37Å; E18-Q22 VanDerWaalsContact O-OE1 3.07Å; E18-F63 HydrophobicContact CG-CD1 4Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.41Å; E18-T64 PolarHBondContact OE1-OG1 3.48Å |
| 19 | L | 77.7 | Confident | 74.5 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 176.1 | -131.6 | 161.5 | 0 | 0 | 0 | 111.7 | L8 V9 A15 F17 L21 L23 | L8-L19 HydrophobicContact CD2-CD1 4.28Å; V9-L19 HydrophobicContact CG2-CD1 4.31Å; A15-L19 PolarHBondContact O-N 3.08Å; F17-L19 VanDerWaalsContact C-N 3.27Å; F17-L19 PolarHBondContact O-N 3.44Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L19-L23 WeakPolarHBondContact O-CB 3.03Å; L19-L23 PolarHBondContact O-N 3.32Å |
| 20 | F | 82.1 | Confident | 75.7 | Confident | 156 Ų | 156 | 61.7 Ų | 61.7 | 68% | 0.684 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 175.6 | -167 | -97.4 | 0 | 0 | 0 | 112.1 | T16 F17 E18 L23 G24 | T16-F20 PolarHBondContact O-N 3.34Å; T16-F20 VanDerWaalsContact O-N 3.11Å; F17-F20 PolarHBondContact O-N 3.09Å; E18-F20 VanDerWaalsContact C-N 3.35Å; E18-F20 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 2.92Å; F20-G24 PolarHBondContact O-N 2.95Å |
| 21 | L | 83.7 | Confident | 77.1 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 19% | 0.194 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.8 | -159.6 | 120.1 | 0 | 0 | 0 | 111.6 | F17 E18 L19 G24 A25 A56 L59 | F17-L21 HydrophobicContact CE1-CD1 3.85Å; F17-L21 HydrophobicContact CZ-CD1 3.92Å; F17-L21 WeakPolarHBondContact O-CB 3.37Å; F17-L21 PolarHBondContact O-N 3.09Å; E18-L21 WeakPolarHBondContact O-CB 3.13Å; E18-L21 PolarHBondContact O-N 3.4Å; L19-L21 VanDerWaalsContact C-N 3.35Å; L21-G24 PolarHBondContact O-N 2.95Å; L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.84Å; L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.22Å; L21-L59 HydrophobicContact CD1-CD2 3.56Å; L21-L59 HydrophobicContact CD2-CB 3.8Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å |
| 22 | Q | 82.3 | Confident | 78.4 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 172.5 | -114.7 | 97.2 | -3.6 | 0 | 0 | 111.8 | E18 A25 L26 S60 | E18-Q22 PolarHBondContact O-N 2.86Å; E18-Q22 PolarHBondContact O-OE1 3.37Å; E18-Q22 VanDerWaalsContact O-OE1 3.07Å; Q22-A25 PolarHBondContact O-N 2.72Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 PolarHBondContact O-N 3.46Å; Q22-S60 PolarHBondContact OE1-OG 3.44Å |
| 23 | L | 83.6 | Confident | 79.5 | Confident | 97 Ų | 97 | 60 Ų | 60 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 178.6 | -151 | 93.9 | 0 | 0 | 0 | 111.5 | L19 F20 L26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.03Å; L19-L23 PolarHBondContact O-N 3.32Å; F20-L23 PolarHBondContact O-N 2.92Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-L27 PolarHBondContact O-N 3.3Å |
| 24 | G | 85.6 | Confident | 80.6 | Confident | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F20 L21 L26 L27 V28 | F20-G24 PolarHBondContact O-N 2.95Å; L21-G24 PolarHBondContact O-N 2.95Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.32Å; G24-L27 PolarHBondContact O-N 3.09Å; G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 3.36Å |
| 25 | A | 85.7 | Confident | 81.6 | Confident | 11 Ų | 11 | 66.3 Ų | 66.3 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L21 Q22 L27 V28 F29 A56 | L21-A25 WeakPolarHBondContact O-CB 3.28Å; L21-A25 PolarHBondContact O-N 2.84Å; Q22-A25 PolarHBondContact O-N 2.72Å; A25-L27 VanDerWaalsContact C-N 3.35Å; A25-V28 PolarHBondContact O-N 2.9Å; A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 3.31Å; A25-A56 HydrophobicContact CB-CB 3.34Å |
| 26 | L | 83.8 | Confident | 81.9 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 52% | 0.518 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.8 | -171.6 | 72.4 | 0 | 0 | 0 | 111.8 | Q22 L23 G24 F29 S30 | Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 PolarHBondContact O-N 3.46Å; L23-L26 PolarHBondContact O-N 3.37Å; G24-L26 VanDerWaalsContact C-N 3.35Å; G24-L26 PolarHBondContact O-N 3.32Å; L26-F29 PolarHBondContact O-N 3.43Å; L26-S30 WeakPolarHBondContact O-CB 3.13Å; L26-S30 PolarHBondContact O-N 3.1Å |
| 27 | L | 85.6 | Confident | 82.1 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.2 | -49.1 | 174.5 | -80.1 | 172.7 | 0 | 0 | 0 | 111.5 | L23 G24 A25 F29 S30 V31 | L23-L27 PolarHBondContact O-N 3.3Å; G24-L27 PolarHBondContact O-N 3.09Å; A25-L27 VanDerWaalsContact C-N 3.35Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-N 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 2.97Å |
| 28 | V | 87.3 | Confident | 82.2 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | G24 A25 S30 V31 L32 P52 | G24-V28 WeakPolarHBondContact O-CG2 3.13Å; G24-V28 PolarHBondContact O-N 3.36Å; A25-V28 PolarHBondContact O-N 2.9Å; V28-S30 PolarHBondContact O-N 3.22Å; V28-V31 PolarHBondContact O-N 2.82Å; V28-L32 HydrophobicContact CG1-CD1 3.72Å; V28-L32 WeakPolarHBondContact O-CD1 3.43Å; V28-L32 PolarHBondContact O-N 2.93Å; V28-P52 HydrophobicContact CB-CB 4.29Å; V28-P52 HydrophobicContact CG1-CB 3.85Å; V28-P52 HydrophobicContact CG1-CG 3.77Å |
| 29 | F | 85.4 | Confident | 81.8 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 16% | 0.162 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 174.7 | 173.2 | -97.8 | 0 | 0 | 0 | 113.1 | A25 L26 L27 V31 L32 V33 V49 F50 L53 | A25-F29 VanDerWaalsContact O-CB 3.26Å; A25-F29 WeakPolarHBondContact O-CB 3.39Å; A25-F29 PolarHBondContact O-N 3.31Å; L26-F29 PolarHBondContact O-N 3.43Å; L27-F29 VanDerWaalsContact C-N 3.3Å; L27-F29 PolarHBondContact O-N 3.1Å; F29-V31 VanDerWaalsContact C-N 3.25Å; F29-V31 PolarHBondContact O-N 2.95Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-L32 VanDerWaalsContact O-N 3.15Å; F29-V33 HydrophobicContact CD1-CG2 4.09Å; F29-V33 HydrophobicContact CD2-CG2 4.21Å; F29-V33 HydrophobicContact CE1-CG2 3.7Å; F29-V33 HydrophobicContact CE2-CG2 3.82Å; F29-V33 HydrophobicContact CG-CG2 4.33Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.39Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.42Å; F29-V33 PolarHBondContact O-N 3.11Å; F29-V49 HydrophobicContact CD2-CG1 4Å; F29-V49 VanDerWaalsContact CD2-O 3.29Å; F29-V49 WeakPolarHBondContact CD2-O 3.45Å; F29-V49 HydrophobicContact CE2-CG1 3.8Å; F29-F50 HydrophobicContact CD2-CD1 4.44Å; F29-F50 AromaticContact CE2-CD1 3.69Å; F29-F50 HydrophobicContact CE2-CD1 3.69Å; F29-F50 AromaticContact CE2-CD2 3.94Å; F29-F50 HydrophobicContact CE2-CD2 3.94Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.94Å; F29-F50 HydrophobicContact CE2-CE2 3.94Å; F29-F50 AromaticContact CE2-CG 3.84Å; F29-F50 HydrophobicContact CE2-CG 3.84Å; F29-F50 AromaticContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CD1 4.29Å; F29-F50 AromaticContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.23Å; F29-F50 AromaticContact CZ-CZ 3.77Å; F29-F50 HydrophobicContact CZ-CZ 3.77Å; F29-L53 HydrophobicContact CB-CD1 3.2Å; F29-L53 HydrophobicContact CD1-CD1 4.19Å; F29-L53 HydrophobicContact CD2-CD1 3.76Å; F29-L53 HydrophobicContact CD2-CD2 4.35Å; F29-L53 HydrophobicContact CG-CD1 3.46Å; F29-L53 VanDerWaalsContact CG-CD1 3.46Å; F29-L53 HydrophobicContact CG-CD2 4.4Å |
| 30 | S | 84.3 | Confident | 80.7 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 51% | 0.51 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 177.3 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | L26 L27 V28 A34 | L26-S30 WeakPolarHBondContact O-CB 3.13Å; L26-S30 PolarHBondContact O-N 3.1Å; L27-S30 PolarHBondContact O-N 3.3Å; V28-S30 PolarHBondContact O-N 3.22Å; S30-A34 WeakPolarHBondContact O-CB 3.39Å; S30-A34 PolarHBondContact O-N 3.13Å |
| 31 | V | 86.1 | Confident | 79.6 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.527 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L27 V28 F29 V33 A34 L35 | L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 2.97Å; V28-V31 PolarHBondContact O-N 2.82Å; F29-V31 VanDerWaalsContact C-N 3.25Å; F29-V31 PolarHBondContact O-N 2.95Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.45Å; V31-A34 PolarHBondContact O-N 2.89Å; V31-L35 WeakPolarHBondContact O-CB 3.45Å; V31-L35 PolarHBondContact O-N 3.48Å |
| 32 | L | 82.9 | Confident | 78.4 | Confident | 55 Ų | 55 | 80.1 Ų | 80.1 | 29% | 0.288 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.7 | -91.2 | 72.9 | 0 | 0 | 0 | 112.3 | V28 F29 R36 V49 P52 | V28-L32 HydrophobicContact CG1-CD1 3.72Å; V28-L32 WeakPolarHBondContact O-CD1 3.43Å; V28-L32 PolarHBondContact O-N 2.93Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-L32 VanDerWaalsContact O-N 3.15Å; L32-R36 WeakPolarHBondContact O-CB 3.23Å; L32-R36 PolarHBondContact O-N 3.31Å; L32-V49 HydrophobicContact CB-CG1 4.08Å; L32-P52 HydrophobicContact CD2-CG 4.09Å |
| 33 | V | 81.7 | Confident | 77.3 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | F29 V31 R36 A37 V49 | F29-V33 HydrophobicContact CD1-CG2 4.09Å; F29-V33 HydrophobicContact CD2-CG2 4.21Å; F29-V33 HydrophobicContact CE1-CG2 3.7Å; F29-V33 HydrophobicContact CE2-CG2 3.82Å; F29-V33 HydrophobicContact CG-CG2 4.33Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.39Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.42Å; F29-V33 PolarHBondContact O-N 3.11Å; V31-V33 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 3.45Å; V33-R36 PolarHBondContact O-N 3.13Å; V33-A37 PolarHBondContact O-N 2.97Å; V33-V49 HydrophobicContact CG2-CG1 3.54Å |
| 34 | A | 83.3 | Confident | 76.2 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S30 V31 R36 A37 D38 | S30-A34 WeakPolarHBondContact O-CB 3.39Å; S30-A34 PolarHBondContact O-N 3.13Å; V31-A34 PolarHBondContact O-N 2.89Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.21Å; A34-A37 PolarHBondContact O-N 2.98Å; A34-A37 VanDerWaalsContact O-N 3.13Å; A34-D38 PolarHBondContact O-N 2.88Å |
| 35 | L | 80.6 | Confident | 75.6 | Confident | 99 Ų | 99 | 82.4 Ų | 82.4 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 176 | -131.8 | 91.5 | 0 | 0 | 0 | 111.5 | V31 A37 D38 F39 | V31-L35 WeakPolarHBondContact O-CB 3.45Å; V31-L35 PolarHBondContact O-N 3.48Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.42Å; L35-D38 PolarHBondContact O-N 2.89Å; L35-F39 HydrophobicContact CD1-CE2 4.44Å; L35-F39 HydrophobicContact CG-CD2 3.88Å; L35-F39 HydrophobicContact CG-CE2 4.12Å; L35-F39 WeakPolarHBondContact O-CB 3.39Å; L35-F39 WeakPolarHBondContact O-CD2 3.22Å; L35-F39 PolarHBondContact O-N 2.97Å |
| 36 | R | 77.1 | Confident | 75 | Confident | 33 Ų | 33 | 84.3 Ų | 84.3 | 13% | 0.125 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63 | -40 | 176.6 | -176.9 | -172.6 | -178.2 | 122.1 | 9.3 | 112 | L32 V33 A34 F40 M44 W46 E109 | L32-R36 WeakPolarHBondContact O-CB 3.23Å; L32-R36 PolarHBondContact O-N 3.31Å; V33-R36 PolarHBondContact O-N 3.13Å; A34-R36 VanDerWaalsContact C-N 3.32Å; A34-R36 PolarHBondContact O-N 3.21Å; R36-F40 PolarHBondContact O-N 3.03Å; R36-F40 VanDerWaalsContact O-N 3.15Å; R36-M44 PolarHBondContact NH1-O 3.46Å; R36-M44 PolarHBondContact NH2-O 3.22Å; R36-W46 VanDerWaalsContact NE-CZ2 3.29Å; R36-W46 VanDerWaalsContact NH1-CG 3.28Å; R36-W46 VanDerWaalsContact NH1-N 3.17Å; R36-W46 VanDerWaalsContact NH2-CD1 3.27Å; R36-E109 IonicContact NH2-OE2 3.91Å |
| 37 | A | 75.6 | Confident | 74.5 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 54% | 0.537 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V33 A34 L35 | V33-A37 PolarHBondContact O-N 2.97Å; A34-A37 PolarHBondContact O-N 2.98Å; A34-A37 VanDerWaalsContact O-N 3.13Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.42Å |
| 38 | D | 76.8 | Confident | 74 | Confident | 135 Ų | 135 | 84.2 Ų | 84.2 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -84.2 | -36.8 | -177.3 | -72.2 | -34.2 | 0 | 0 | 0 | 113.6 | A34 L35 | A34-D38 PolarHBondContact O-N 2.88Å; L35-D38 PolarHBondContact O-N 2.89Å |
| 39 | F | 66.3 | Low | 73.7 | Confident | 150 Ų | 150 | 80.9 Ų | 80.9 | 66% | 0.658 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -95 | -6.7 | -175.5 | -70.3 | -84.9 | 0 | 0 | 0 | 114.4 | L35 D41 | L35-F39 HydrophobicContact CD1-CE2 4.44Å; L35-F39 HydrophobicContact CG-CD2 3.88Å; L35-F39 HydrophobicContact CG-CE2 4.12Å; L35-F39 WeakPolarHBondContact O-CB 3.39Å; L35-F39 WeakPolarHBondContact O-CD2 3.22Å; L35-F39 PolarHBondContact O-N 2.97Å; F39-D41 PolarHBondContact O-N 3.07Å |
| 40 | F | 56 | Low | 73.5 | Confident | 172 Ų | 172 | 79.5 Ų | 79.5 | 75% | 0.754 | 44% | 0.444 | S | S | * | . | trans | 34.8 | 49.2 | 172.4 | -135 | -87.8 | 0 | 0 | 0 | 114.2 | R36 P42 | R36-F40 PolarHBondContact O-N 3.03Å; R36-F40 VanDerWaalsContact O-N 3.15Å; F40-P42 WeakPolarHBondContact O-CD 3.13Å | ||
| 41 | D | 57.7 | Low | 73.5 | Confident | 108 Ų | 108 | 80.3 Ų | 80.3 | 58% | 0.578 | 44% | 0.442 | S | S | * | . | trans | -79.3 | 109 | 178.5 | -119.7 | -47.7 | 0 | 0 | 0 | 108.7 | F39 G43 M44 | F39-D41 PolarHBondContact O-N 3.07Å; D41-G43 PolarHBondContact O-N 3.2Å; D41-M44 HydrophobicContact CB-CB 4.47Å; D41-M44 PolarHBondContact O-N 3.25Å; D41-M44 VanDerWaalsContact O-N 3.15Å | ||
| 42 | P | 59 | Low | 73.4 | Confident | 111 Ų | 111 | 77.4 Ų | 77.4 | 72% | 0.721 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -6.3 | -175.4 | 29.1 | -34.7 | 0 | 0 | 0 | 113.2 | F40 | F40-P42 WeakPolarHBondContact O-CD 3.13Š|
| 43 | G | 58.9 | Low | 73.4 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 73% | 0.732 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D41 S45 | D41-G43 PolarHBondContact O-N 3.2Å; G43-S45 PolarHBondContact O-N 3.48Å |
| 44 | M | 61.5 | Low | 73.4 | Confident | 88 Ų | 88 | 75.5 Ų | 75.5 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | trans | -82.9 | 99 | -173 | -150.7 | 79.9 | 155.9 | 0 | 0 | 110.2 | R36 D41 W46 L48 | R36-M44 PolarHBondContact NH1-O 3.46Å; R36-M44 PolarHBondContact NH2-O 3.22Å; D41-M44 HydrophobicContact CB-CB 4.47Å; D41-M44 PolarHBondContact O-N 3.25Å; D41-M44 VanDerWaalsContact O-N 3.15Å; M44-W46 PolarHBondContact O-N 2.89Å; M44-L48 HydrophobicContact SD-CD1 4.25Å | ||
| 45 | S | 72.6 | Confident | 73.5 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | trans | -58.9 | 138.3 | 178.6 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | G43 W47 L48 | G43-S45 PolarHBondContact O-N 3.48Å; S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 VanDerWaalsContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 3.46Å | ||
| 46 | W | 71.9 | Confident | 73.7 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 19% | 0.193 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.1 | -28.4 | 175.6 | -72.3 | 100.7 | 0 | 0 | 0 | 112 | R36 M44 L48 V49 F50 L105 E109 | R36-W46 VanDerWaalsContact NE-CZ2 3.29Å; R36-W46 VanDerWaalsContact NH1-CG 3.28Å; R36-W46 VanDerWaalsContact NH1-N 3.17Å; R36-W46 VanDerWaalsContact NH2-CD1 3.27Å; M44-W46 PolarHBondContact O-N 2.89Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 2.98Å; W46-V49 PolarHBondContact O-N 3.2Å; W46-F50 WeakPolarHBondContact O-CD2 3.43Å; W46-F50 PolarHBondContact O-N 3.28Å; W46-L105 HydrophobicContact CB-CB 4.33Å; W46-L105 HydrophobicContact CD2-CB 3.61Å; W46-L105 HydrophobicContact CD2-CD2 4.27Å; W46-L105 HydrophobicContact CD2-CG 4.42Å; W46-L105 HydrophobicContact CE3-CB 3.88Å; W46-L105 HydrophobicContact CE3-CD1 4.23Å; W46-L105 HydrophobicContact CE3-CD2 3.98Å; W46-L105 HydrophobicContact CE3-CG 4.25Å; W46-L105 HydrophobicContact CG-CB 3.83Å; W46-L105 HydrophobicContact CH2-CD2 3.67Å; W46-L105 HydrophobicContact CZ2-CD2 3.95Å; W46-L105 HydrophobicContact CZ3-CB 4.46Å; W46-L105 HydrophobicContact CZ3-CD1 4.43Å; W46-L105 HydrophobicContact CZ3-CD2 3.68Å; W46-L105 HydrophobicContact CZ3-CG 4.42Å; W46-L105 PolarHBondContact NE1-O 3.36Å; W46-L105 VanDerWaalsContact NE1-O 3.14Å; W46-E109 PolarHBondContact NE1-OE2 3.28Å |
| 47 | W | 73.8 | Confident | 74 | Confident | 131 Ų | 131 | 70.1 Ų | 70.1 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -53.4 | -43.2 | 171.9 | -69 | 95.9 | 0 | 0 | 0 | 114 | S45 V49 F50 I51 | S45-W47 PolarHBondContact O-N 3.01Å; S45-W47 VanDerWaalsContact O-N 3.09Å; W47-V49 VanDerWaalsContact C-N 3.31Å; W47-V49 PolarHBondContact O-N 2.93Å; W47-F50 PolarHBondContact O-N 3.48Å; W47-I51 WeakPolarHBondContact O-CG1 3.41Å; W47-I51 PolarHBondContact O-N 2.96Å |
| 48 | L | 75.9 | Confident | 74.3 | Confident | 80 Ų | 80 | 69 Ų | 69 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 179.6 | -77.9 | 160.8 | 0 | 0 | 0 | 112.4 | M44 S45 W46 F50 I51 | M44-L48 HydrophobicContact SD-CD1 4.25Å; S45-L48 PolarHBondContact O-N 3.46Å; W46-L48 VanDerWaalsContact C-N 3.33Å; W46-L48 PolarHBondContact O-N 2.98Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.36Å; L48-I51 HydrophobicContact CD2-CD1 3.74Å; L48-I51 HydrophobicContact CG-CD1 4.47Å; L48-I51 PolarHBondContact O-N 3.33Å |
| 49 | V | 80.6 | Confident | 74.7 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.4 | -33.9 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | F29 L32 V33 W46 W47 P52 | F29-V49 HydrophobicContact CD2-CG1 4Å; F29-V49 VanDerWaalsContact CD2-O 3.29Å; F29-V49 WeakPolarHBondContact CD2-O 3.45Å; F29-V49 HydrophobicContact CE2-CG1 3.8Å; L32-V49 HydrophobicContact CB-CG1 4.08Å; V33-V49 HydrophobicContact CG2-CG1 3.54Å; W46-V49 PolarHBondContact O-N 3.2Å; W47-V49 VanDerWaalsContact C-N 3.31Å; W47-V49 PolarHBondContact O-N 2.93Å; V49-P52 VanDerWaalsContact O-CD 3.25Å; V49-P52 WeakPolarHBondContact O-CD 3.44Å |
| 50 | F | 81.2 | Confident | 75.4 | Confident | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -87.8 | -8.3 | -179.1 | -79.9 | -94.9 | 0 | 0 | 0 | 114.8 | F29 W46 W47 L48 P52 L53 F54 L101 C102 L105 | F29-F50 HydrophobicContact CD2-CD1 4.44Å; F29-F50 AromaticContact CE2-CD1 3.69Å; F29-F50 HydrophobicContact CE2-CD1 3.69Å; F29-F50 AromaticContact CE2-CD2 3.94Å; F29-F50 HydrophobicContact CE2-CD2 3.94Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.94Å; F29-F50 HydrophobicContact CE2-CE2 3.94Å; F29-F50 AromaticContact CE2-CG 3.84Å; F29-F50 HydrophobicContact CE2-CG 3.84Å; F29-F50 AromaticContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CE2-CZ 3.8Å; F29-F50 HydrophobicContact CZ-CD1 4.29Å; F29-F50 AromaticContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE1 3.8Å; F29-F50 HydrophobicContact CZ-CE2 4.23Å; F29-F50 AromaticContact CZ-CZ 3.77Å; F29-F50 HydrophobicContact CZ-CZ 3.77Å; W46-F50 WeakPolarHBondContact O-CD2 3.43Å; W46-F50 PolarHBondContact O-N 3.28Å; W47-F50 PolarHBondContact O-N 3.48Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.36Å; F50-P52 VanDerWaalsContact C-N 3.34Å; F50-L53 HydrophobicContact CD1-CD2 4.26Å; F50-L53 WeakPolarHBondContact O-CB 3.28Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-L53 VanDerWaalsContact O-N 3.07Å; F50-F54 HydrophobicContact CB-CD2 4.04Å; F50-F54 HydrophobicContact CB-CE2 3.67Å; F50-F54 VanDerWaalsContact O-CD2 3.25Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 PolarHBondContact O-N 3.1Å; F50-F54 VanDerWaalsContact O-N 3.12Å; F50-L101 HydrophobicContact CE1-CB 4.27Å; F50-L101 HydrophobicContact CZ-CB 4.13Å; F50-C102 WeakPolarHBondContact CB-SG 3.42Å; F50-C102 WeakPolarHBondContact CD1-SG 3.45Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.29Å; F50-C102 WeakPolarHBondContact CG-SG 3.37Å; F50-L105 HydrophobicContact CE2-CD1 3.6Å; F50-L105 HydrophobicContact CZ-CD1 3.62Å |
| 51 | I | 83.3 | Confident | 76.7 | Confident | 91 Ų | 91 | 54 Ų | 54 | 47% | 0.467 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -50.3 | -44.9 | 176.7 | -67.4 | 175.3 | 0 | 0 | 0 | 113.3 | W47 L48 L53 F54 A55 | W47-I51 WeakPolarHBondContact O-CG1 3.41Å; W47-I51 PolarHBondContact O-N 2.96Å; L48-I51 HydrophobicContact CD2-CD1 3.74Å; L48-I51 HydrophobicContact CG-CD1 4.47Å; L48-I51 PolarHBondContact O-N 3.33Å; I51-L53 VanDerWaalsContact C-N 3.28Å; I51-L53 PolarHBondContact O-N 3.33Å; I51-F54 PolarHBondContact O-N 3.48Å; I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.4Å |
| 52 | P | 84.8 | Confident | 78 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -37.4 | -180 | -21.5 | 33.2 | 0 | 0 | 0 | 112.8 | V28 L32 V49 F50 A56 | V28-P52 HydrophobicContact CB-CB 4.29Å; V28-P52 HydrophobicContact CG1-CB 3.85Å; V28-P52 HydrophobicContact CG1-CG 3.77Å; L32-P52 HydrophobicContact CD2-CG 4.09Å; V49-P52 VanDerWaalsContact O-CD 3.25Å; V49-P52 WeakPolarHBondContact O-CD 3.44Å; F50-P52 VanDerWaalsContact C-N 3.34Å; P52-A56 WeakPolarHBondContact O-CB 3Å; P52-A56 PolarHBondContact O-N 2.85Å; P52-A56 VanDerWaalsContact O-N 3.1Å |
| 53 | L | 81.9 | Confident | 79 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 176.7 | -101.2 | 66.6 | 0 | 0 | 0 | 111 | F29 F50 I51 A55 A56 D57 E98 | F29-L53 HydrophobicContact CB-CD1 3.2Å; F29-L53 HydrophobicContact CD1-CD1 4.19Å; F29-L53 HydrophobicContact CD2-CD1 3.76Å; F29-L53 HydrophobicContact CD2-CD2 4.35Å; F29-L53 HydrophobicContact CG-CD1 3.46Å; F29-L53 VanDerWaalsContact CG-CD1 3.46Å; F29-L53 HydrophobicContact CG-CD2 4.4Å; F50-L53 HydrophobicContact CD1-CD2 4.26Å; F50-L53 WeakPolarHBondContact O-CB 3.28Å; F50-L53 PolarHBondContact O-N 2.96Å; F50-L53 VanDerWaalsContact O-N 3.07Å; I51-L53 VanDerWaalsContact C-N 3.28Å; I51-L53 PolarHBondContact O-N 3.33Å; L53-A55 PolarHBondContact O-N 2.92Å; L53-A56 PolarHBondContact O-N 3.47Å; L53-D57 PolarHBondContact O-N 3.3Å; L53-E98 HydrophobicContact CD2-CG 4.05Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.24Å |
| 54 | F | 82 | Confident | 79.9 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.5 | -71.1 | -54.8 | 0 | 0 | 0 | 112.7 | F50 I51 A56 D57 G58 L95 E98 V99 | F50-F54 HydrophobicContact CB-CD2 4.04Å; F50-F54 HydrophobicContact CB-CE2 3.67Å; F50-F54 VanDerWaalsContact O-CD2 3.25Å; F50-F54 WeakPolarHBondContact O-CD2 3.35Å; F50-F54 PolarHBondContact O-N 3.1Å; F50-F54 VanDerWaalsContact O-N 3.12Å; I51-F54 PolarHBondContact O-N 3.48Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.2Å; F54-D57 PolarHBondContact O-N 3.34Å; F54-G58 PolarHBondContact O-N 3.08Å; F54-L95 HydrophobicContact CD1-CD2 3.71Å; F54-L95 HydrophobicContact CE1-CD2 4.08Å; F54-E98 HydrophobicContact CE1-CB 4.15Å; F54-E98 HydrophobicContact CZ-CB 4.39Å; F54-V99 HydrophobicContact CE1-CG2 3.64Å; F54-V99 HydrophobicContact CZ-CG2 3.75Å |
| 55 | A | 85.9 | Confident | 80.8 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I51 L53 G58 L59 | I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.4Å; L53-A55 PolarHBondContact O-N 2.92Å; A55-G58 PolarHBondContact O-N 2.88Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 PolarHBondContact O-N 2.88Å |
| 56 | A | 84.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L21 A25 P52 L53 F54 L59 S60 | L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.22Å; A25-A56 HydrophobicContact CB-CB 3.34Å; P52-A56 WeakPolarHBondContact O-CB 3Å; P52-A56 PolarHBondContact O-N 2.85Å; P52-A56 VanDerWaalsContact O-N 3.1Å; L53-A56 PolarHBondContact O-N 3.47Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 3.2Å; A56-L59 PolarHBondContact O-N 3.34Å; A56-S60 WeakPolarHBondContact O-CB 3.25Å; A56-S60 PolarHBondContact O-N 3.11Å; A56-S60 PolarHBondContact O-OG 2.86Å |
| 57 | D | 82.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 178 | -150.9 | -86.2 | 0 | 0 | 0 | 112 | L53 F54 S60 T61 L91 K94 L95 | L53-D57 PolarHBondContact O-N 3.3Å; F54-D57 PolarHBondContact O-N 3.34Å; D57-S60 PolarHBondContact O-N 3.2Å; D57-T61 PolarHBondContact O-N 3.34Å; D57-T61 PolarHBondContact O-OG1 2.8Å; D57-L91 WeakPolarHBondContact O-CD2 3.48Å; D57-L91 VanDerWaalsContact OD1-CD2 3.25Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.47Å; D57-K94 IonicContact OD2-NZ 2.82Å; D57-K94 PolarHBondContact OD2-NZ 2.84Å; D57-L95 HydrophobicContact CB-CD2 3.74Å; D57-L95 HydrophobicContact CB-CG 4.21Å; D57-L95 WeakPolarHBondContact OD1-CD1 3.48Å; D57-L95 WeakPolarHBondContact OD1-CD2 3.41Å; D57-L95 WeakPolarHBondContact OD1-CG 3.38Å |
| 58 | G | 82.1 | Confident | 81.2 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F54 A55 T61 Y62 | F54-G58 PolarHBondContact O-N 3.08Å; A55-G58 PolarHBondContact O-N 2.88Å; G58-T61 PolarHBondContact O-N 3.3Å; G58-Y62 WeakPolarHBondContact O-CB 3.35Å; G58-Y62 PolarHBondContact O-N 3.33Å |
| 59 | L | 85.1 | Confident | 81.3 | Confident | 97 Ų | 97 | 47.4 Ų | 47.4 | 51% | 0.508 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 177.4 | -131.7 | 83.2 | 0 | 0 | 0 | 111.9 | L21 A55 A56 Y62 F63 | L21-L59 HydrophobicContact CD1-CD2 3.56Å; L21-L59 HydrophobicContact CD2-CB 3.8Å; L21-L59 HydrophobicContact CD2-CD2 4.18Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 PolarHBondContact O-N 2.88Å; A56-L59 PolarHBondContact O-N 3.34Å; L59-Y62 PolarHBondContact O-N 3.39Å; L59-F63 PolarHBondContact O-N 3Å |
| 60 | S | 81.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.3 | -69 | 0 | 0 | 0 | 0 | 111.4 | Q22 A56 D57 Y62 F63 T64 | Q22-S60 PolarHBondContact OE1-OG 3.44Å; A56-S60 WeakPolarHBondContact O-CB 3.25Å; A56-S60 PolarHBondContact O-N 3.11Å; A56-S60 PolarHBondContact O-OG 2.86Å; D57-S60 PolarHBondContact O-N 3.2Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.41Å; S60-F63 PolarHBondContact O-N 3Å; S60-T64 WeakPolarHBondContact O-CB 3.42Å; S60-T64 PolarHBondContact O-N 3.27Å; S60-T64 PolarHBondContact O-OG1 2.99Å |
| 61 | T | 83.3 | Confident | 80.6 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 173.3 | -56 | 0 | 0 | 0 | 0 | 111.2 | D57 G58 T64 A65 L88 L91 | D57-T61 PolarHBondContact O-N 3.34Å; D57-T61 PolarHBondContact O-OG1 2.8Å; G58-T61 PolarHBondContact O-N 3.3Å; T61-T64 PolarHBondContact O-N 3.48Å; T61-A65 VanDerWaalsContact O-CB 3.29Å; T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.92Å; T61-L88 HydrophobicContact CG2-CD1 4.32Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.44Å |
| 62 | Y | 84.4 | Confident | 79.9 | Confident | 158 Ų | 158 | 60 Ų | 60 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | -179.9 | -178 | -101.3 | 0 | 0 | 0 | 111.9 | G58 L59 S60 A65 I66 | G58-Y62 WeakPolarHBondContact O-CB 3.35Å; G58-Y62 PolarHBondContact O-N 3.33Å; L59-Y62 PolarHBondContact O-N 3.39Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.41Å; Y62-A65 PolarHBondContact O-N 2.81Å; Y62-I66 HydrophobicContact CD1-CD1 3.79Å; Y62-I66 HydrophobicContact CE1-CD1 3.26Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.38Å; Y62-I66 WeakPolarHBondContact O-CG1 3.11Å; Y62-I66 PolarHBondContact O-N 2.92Å; Y62-I66 VanDerWaalsContact O-N 3.08Å |
| 63 | F | 81.5 | Confident | 79.3 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -49.4 | 177.5 | -174.3 | -95.6 | 0 | 0 | 0 | 111.8 | A15 E18 L59 S60 A65 I66 V67 | A15-F63 HydrophobicContact CB-CE1 3.9Å; E18-F63 HydrophobicContact CG-CD1 4Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.41Å; L59-F63 PolarHBondContact O-N 3Å; S60-F63 PolarHBondContact O-N 3Å; F63-A65 PolarHBondContact O-N 2.92Å; F63-I66 PolarHBondContact O-N 3.49Å; F63-I66 VanDerWaalsContact O-N 3.1Å; F63-V67 HydrophobicContact CD1-CG2 4.11Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.99Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.86Å; F63-V67 VanDerWaalsContact O-N 3.09Å |
| 64 | T | 77 | Confident | 78.8 | Confident | 16 Ų | 16 | 72 Ų | 72 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -40 | 175.5 | -77.2 | 0 | 0 | 0 | 0 | 111.4 | E18 S60 T61 I66 V67 S68 L84 V87 | E18-T64 PolarHBondContact OE1-OG1 3.48Å; S60-T64 WeakPolarHBondContact O-CB 3.42Å; S60-T64 PolarHBondContact O-N 3.27Å; S60-T64 PolarHBondContact O-OG1 2.99Å; T61-T64 PolarHBondContact O-N 3.48Å; T64-I66 PolarHBondContact O-N 3.2Å; T64-V67 PolarHBondContact O-N 3.07Å; T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 2.85Å; T64-L84 HydrophobicContact CG2-CD2 3.65Å; T64-V87 HydrophobicContact CG2-CB 4.17Å; T64-V87 HydrophobicContact CG2-CG1 3.81Å |
| 65 | A | 81 | Confident | 77.7 | Confident | 39 Ų | 39 | 76 Ų | 76 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T61 Y62 F63 S68 I69 | T61-A65 VanDerWaalsContact O-CB 3.29Å; T61-A65 WeakPolarHBondContact O-CB 3.45Å; T61-A65 PolarHBondContact O-N 2.92Å; Y62-A65 PolarHBondContact O-N 2.81Å; F63-A65 PolarHBondContact O-N 2.92Å; A65-S68 WeakPolarHBondContact O-CB 3.41Å; A65-S68 PolarHBondContact O-OG 3.4Å; A65-I69 WeakPolarHBondContact O-CD1 3.26Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.22Å; A65-I69 PolarHBondContact O-N 3.18Å |
| 66 | I | 82.4 | Confident | 76.6 | Confident | 69 Ų | 69 | 79.3 Ų | 79.3 | 35% | 0.354 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.7 | -46.6 | 174.5 | -70.5 | 170 | 0 | 0 | 0 | 111.4 | Y62 F63 T64 S68 I69 R70 | Y62-I66 HydrophobicContact CD1-CD1 3.79Å; Y62-I66 HydrophobicContact CE1-CD1 3.26Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.38Å; Y62-I66 WeakPolarHBondContact O-CG1 3.11Å; Y62-I66 PolarHBondContact O-N 2.92Å; Y62-I66 VanDerWaalsContact O-N 3.08Å; F63-I66 PolarHBondContact O-N 3.49Å; F63-I66 VanDerWaalsContact O-N 3.1Å; T64-I66 PolarHBondContact O-N 3.2Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.43Å; I66-I69 PolarHBondContact O-N 3.4Å; I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.11Å |
| 67 | V | 74.9 | Confident | 75.5 | Confident | 63 Ų | 63 | 82.9 Ų | 82.9 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | -178.9 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F63 T64 I69 R70 L71 | F63-V67 HydrophobicContact CD1-CG2 4.11Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.99Å; F63-V67 WeakPolarHBondContact O-CG2 3.38Å; F63-V67 PolarHBondContact O-N 2.86Å; F63-V67 VanDerWaalsContact O-N 3.09Å; T64-V67 PolarHBondContact O-N 3.07Å; V67-I69 PolarHBondContact O-N 3.12Å; V67-R70 PolarHBondContact O-N 2.65Å; V67-L71 HydrophobicContact CG1-CD1 4.29Å; V67-L71 PolarHBondContact O-N 2.82Å |
| 68 | S | 69 | Low | 74.5 | Confident | 27 Ų | 27 | 93.8 Ų | 93.8 | 19% | 0.189 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -37.5 | -57.4 | 162 | 139.3 | 0 | 0 | 0 | 0 | 115.4 | T64 A65 I66 R70 L71 Y72 L84 | T64-S68 WeakPolarHBondContact O-CB 3.48Å; T64-S68 PolarHBondContact O-N 2.85Å; A65-S68 WeakPolarHBondContact O-CB 3.41Å; A65-S68 PolarHBondContact O-OG 3.4Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.43Å; S68-R70 VanDerWaalsContact C-N 3.34Å; S68-R70 PolarHBondContact O-N 3.44Å; S68-L71 PolarHBondContact O-N 3.13Å; S68-Y72 PolarHBondContact O-N 3.26Å; S68-Y72 VanDerWaalsContact O-N 3.09Å; S68-L84 VanDerWaalsContact CB-CG 3.46Å; S68-L84 WeakPolarHBondContact OG-CD1 3.49Å |
| 69 | I | 78.3 | Confident | 73.7 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | -175.3 | -69.3 | 162.7 | 0 | 0 | 0 | 109.9 | A65 I66 V67 Y72 Q73 | A65-I69 WeakPolarHBondContact O-CD1 3.26Å; A65-I69 VanDerWaalsContact O-CG1 3.27Å; A65-I69 WeakPolarHBondContact O-CG1 3.22Å; A65-I69 PolarHBondContact O-N 3.18Å; I66-I69 PolarHBondContact O-N 3.4Å; V67-I69 PolarHBondContact O-N 3.12Å; I69-Y72 WeakPolarHBondContact O-CB 3.26Å; I69-Y72 PolarHBondContact O-N 3.48Å; I69-Q73 PolarHBondContact O-N 2.82Å |
| 70 | R | 77.7 | Confident | 72.6 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.5 | -47.4 | 175.5 | -76.6 | -156.8 | 178.4 | -153.1 | 2.2 | 112.5 | I66 V67 S68 Y72 Q73 E74 | I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.11Å; V67-R70 PolarHBondContact O-N 2.65Å; S68-R70 VanDerWaalsContact C-N 3.34Å; S68-R70 PolarHBondContact O-N 3.44Å; R70-Y72 PolarHBondContact O-N 3.31Å; R70-Q73 WeakPolarHBondContact O-CB 3.33Å; R70-Q73 PolarHBondContact O-N 3.34Å; R70-E74 PolarHBondContact O-N 3.11Å |
| 71 | L | 68.4 | Low | 71.9 | Confident | 56 Ų | 56 | 97 Ų | 97 | 29% | 0.293 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -30.8 | 177.8 | -106.2 | 72.6 | 0 | 0 | 0 | 112.5 | V67 S68 Q73 E74 A80 | V67-L71 HydrophobicContact CG1-CD1 4.29Å; V67-L71 PolarHBondContact O-N 2.82Å; S68-L71 PolarHBondContact O-N 3.13Å; L71-Q73 PolarHBondContact O-N 2.89Å; L71-E74 PolarHBondContact O-N 3.29Å; L71-A80 HydrophobicContact CB-CB 3.68Å; L71-A80 HydrophobicContact CD2-CB 3.57Å; L71-A80 HydrophobicContact CG-CB 4.18Å |
| 72 | Y | 68.3 | Low | 71.2 | Confident | 127 Ų | 127 | 100.4 Ų | 100.4 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -31 | 175.3 | -173.2 | -93.8 | 0 | 0 | 0 | 112.7 | S68 I69 R70 K77 | S68-Y72 PolarHBondContact O-N 3.26Å; S68-Y72 VanDerWaalsContact O-N 3.09Å; I69-Y72 WeakPolarHBondContact O-CB 3.26Å; I69-Y72 PolarHBondContact O-N 3.48Å; R70-Y72 PolarHBondContact O-N 3.31Å; Y72-K77 HydrophobicContact CD2-CB 4.48Å; Y72-K77 HydrophobicContact CD2-CD 4.05Å; Y72-K77 HydrophobicContact CD2-CG 4Å; Y72-K77 HydrophobicContact CE2-CD 3.59Å; Y72-K77 HydrophobicContact CE2-CG 4.04Å; Y72-K77 WeakPolarHBondContact O-CE 3.4Å; Y72-K77 PolarHBondContact OH-NZ 2.9Å; Y72-K77 VanDerWaalsContact OH-NZ 3.16Å |
| 73 | Q | 72.4 | Confident | 70.4 | Confident | 150 Ų | 150 | 98.8 Ų | 98.8 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75.5 | -24.6 | 177.7 | -66.6 | 177.9 | -6.5 | 0 | 0 | 112.7 | I69 R70 L71 N75 | I69-Q73 PolarHBondContact O-N 2.82Å; R70-Q73 WeakPolarHBondContact O-CB 3.33Å; R70-Q73 PolarHBondContact O-N 3.34Å; L71-Q73 PolarHBondContact O-N 2.89Å; Q73-N75 VanDerWaalsContact C-N 3.34Å; Q73-N75 PolarHBondContact O-N 2.87Å |
| 74 | E | 71.6 | Confident | 69.8 | Low | 146 Ų | 146 | 96.9 Ų | 96.9 | 68% | 0.682 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 15.3 | -177.5 | -71.5 | 177.8 | 161.2 | 0 | 0 | 114.5 | R70 L71 E76 | R70-E74 PolarHBondContact O-N 3.11Å; L71-E74 PolarHBondContact O-N 3.29Å; E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.02Å; E74-E76 VanDerWaalsContact O-N 3.17Å |
| 75 | N | 59.8 | Low | 69.6 | Low | 134 Ų | 134 | 100.9 Ų | 100.9 | 72% | 0.717 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | -3.5 | 174.5 | -102.2 | -44.5 | 0 | 0 | 0 | 118.3 | Q73 K77 | Q73-N75 VanDerWaalsContact C-N 3.34Å; Q73-N75 PolarHBondContact O-N 2.87Å; N75-K77 VanDerWaalsContact C-N 3.25Å; N75-K77 PolarHBondContact O-N 3.37Å; N75-K77 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 62.8 | Low | 69.2 | Low | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | trans | -85.5 | 50.2 | 173.6 | -79.8 | -73.4 | 156 | 0 | 0 | 112.9 | E74 R78 A80 | E74-E76 VanDerWaalsContact C-N 3.28Å; E74-E76 PolarHBondContact O-N 3.02Å; E74-E76 VanDerWaalsContact O-N 3.17Å; E76-R78 PolarHBondContact O-N 2.9Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.1Å | ||
| 77 | K | 60.6 | Low | 68.6 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | -162.9 | -63.4 | -174.5 | 175.2 | -173.4 | 0 | 115.2 | Y72 N75 V81 | Y72-K77 HydrophobicContact CD2-CB 4.48Å; Y72-K77 HydrophobicContact CD2-CD 4.05Å; Y72-K77 HydrophobicContact CD2-CG 4Å; Y72-K77 HydrophobicContact CE2-CD 3.59Å; Y72-K77 HydrophobicContact CE2-CG 4.04Å; Y72-K77 WeakPolarHBondContact O-CE 3.4Å; Y72-K77 PolarHBondContact OH-NZ 2.9Å; Y72-K77 VanDerWaalsContact OH-NZ 3.16Å; N75-K77 VanDerWaalsContact C-N 3.25Å; N75-K77 PolarHBondContact O-N 3.37Å; N75-K77 VanDerWaalsContact O-N 3.08Å; K77-V81 WeakPolarHBondContact O-CB 3.25Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 2.86Å |
| 78 | R | 63.1 | Low | 68.6 | Low | 230 Ų | 230 | 99.1 Ų | 99.1 | 87% | 0.868 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -74.1 | -44.3 | -172.8 | -79.6 | -175.5 | 170.8 | -178.5 | -2 | 112.7 | E76 L82 | E76-R78 PolarHBondContact O-N 2.9Å; R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.38Å; R78-L82 VanDerWaalsContact O-N 3.13Å |
| 79 | L | 63.8 | Low | 68.8 | Low | 132 Ų | 132 | 101 Ų | 101 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74 | -37 | -175.5 | -140.2 | 145.7 | 0 | 0 | 0 | 110.7 | R83 | L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.33Å; L79-R83 VanDerWaalsContact O-N 3.1Å |
| 80 | A | 63 | Low | 68.6 | Low | 9 Ų | 9 | 96.7 Ų | 96.7 | 7% | 0.074 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.6 | -53.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | L71 E76 L82 R83 L84 | L71-A80 HydrophobicContact CB-CB 3.68Å; L71-A80 HydrophobicContact CD2-CB 3.57Å; L71-A80 HydrophobicContact CG-CB 4.18Å; E76-A80 WeakPolarHBondContact O-CB 3.32Å; E76-A80 PolarHBondContact O-N 3.1Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.23Å; A80-R83 PolarHBondContact O-N 2.99Å; A80-L84 WeakPolarHBondContact O-CB 3.01Å; A80-L84 PolarHBondContact O-N 3.41Å |
| 81 | V | 66.8 | Low | 68.4 | Low | 63 Ų | 63 | 88.3 Ų | 88.3 | 38% | 0.382 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | -177.6 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | K77 L84 L85 | K77-V81 WeakPolarHBondContact O-CB 3.25Å; K77-V81 WeakPolarHBondContact O-CG2 3.25Å; K77-V81 PolarHBondContact O-N 2.86Å; V81-L84 VanDerWaalsContact O-CB 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.15Å; V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.29Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 WeakPolarHBondContact O-CG 3.36Å; V81-L85 PolarHBondContact O-N 3.29Å |
| 82 | L | 68.1 | Low | 68.7 | Low | 119 Ų | 119 | 88.3 Ų | 88.3 | 62% | 0.623 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.6 | -38.1 | 179.7 | -154.6 | 136.5 | 0 | 0 | 0 | 111.8 | R78 A80 W86 | R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.38Å; R78-L82 VanDerWaalsContact O-N 3.13Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.23Å; L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.85Å; L82-W86 VanDerWaalsContact O-N 3.11Å |
| 83 | R | 68.8 | Low | 68.9 | Low | 124 Ų | 124 | 83.9 Ų | 83.9 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 171.4 | -175.8 | -179.3 | -174.9 | 169.9 | 4.3 | 111.7 | G13 L79 A80 W86 V87 | G13-R83 PolarHBondContact O-NE 3.42Å; G13-R83 PolarHBondContact O-NH2 2.95Å; L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 3.33Å; L79-R83 VanDerWaalsContact O-N 3.1Å; A80-R83 PolarHBondContact O-N 2.99Å; R83-W86 WeakPolarHBondContact O-CB 3.14Å; R83-W86 PolarHBondContact O-N 3.45Å; R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.82Å |
| 84 | L | 68 | Low | 69.2 | Low | 37 Ų | 37 | 79.2 Ų | 79.2 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.6 | -52.7 | 177.3 | -125.5 | 175.9 | 0 | 0 | 0 | 112.2 | T64 S68 A80 V81 W86 V87 L88 | T64-L84 HydrophobicContact CG2-CD2 3.65Å; S68-L84 VanDerWaalsContact CB-CG 3.46Å; S68-L84 WeakPolarHBondContact OG-CD1 3.49Å; A80-L84 WeakPolarHBondContact O-CB 3.01Å; A80-L84 PolarHBondContact O-N 3.41Å; V81-L84 VanDerWaalsContact O-CB 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.29Å; V81-L84 PolarHBondContact O-N 3.15Å; L84-W86 PolarHBondContact O-N 2.91Å; L84-V87 PolarHBondContact O-N 3.35Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 PolarHBondContact O-N 3.14Å |
| 85 | L | 72.6 | Confident | 69.4 | Low | 100 Ų | 100 | 74.7 Ų | 74.7 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 179.4 | -77.2 | 169.3 | 0 | 0 | 0 | 110.4 | V81 T89 | V81-L85 HydrophobicContact CG1-CD1 3.83Å; V81-L85 HydrophobicContact CG1-CG 4.29Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 WeakPolarHBondContact O-CG 3.36Å; V81-L85 PolarHBondContact O-N 3.29Å; L85-T89 VanDerWaalsContact O-CG2 3.27Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 3.22Å; L85-T89 VanDerWaalsContact O-OG1 3.1Å |
| 86 | W | 71.8 | Confident | 70.2 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 19% | 0.189 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 174.7 | -175.8 | -82.4 | 0 | 0 | 0 | 113.1 | L82 R83 L84 L88 T89 V90 L129 R133 | L82-W86 WeakPolarHBondContact O-CB 3.41Å; L82-W86 PolarHBondContact O-N 2.85Å; L82-W86 VanDerWaalsContact O-N 3.11Å; R83-W86 WeakPolarHBondContact O-CB 3.14Å; R83-W86 PolarHBondContact O-N 3.45Å; L84-W86 PolarHBondContact O-N 2.91Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.43Å; W86-T89 WeakPolarHBondContact CA-OG1 3.44Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.42Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 3.18Å; W86-L129 HydrophobicContact CH2-CB 3.88Å; W86-L129 HydrophobicContact CH2-CD2 3.4Å; W86-L129 VanDerWaalsContact CH2-CD2 3.4Å; W86-L129 HydrophobicContact CH2-CG 4.26Å; W86-L129 WeakPolarHBondContact CH2-O 3.44Å; W86-L129 HydrophobicContact CZ2-CB 4.18Å; W86-L129 HydrophobicContact CZ2-CD2 4.37Å; W86-L129 HydrophobicContact CZ3-CD2 3.53Å; W86-R133 HydrophobicContact CH2-CB 4.12Å; W86-R133 HydrophobicContact CZ2-CB 3.95Å; W86-R133 HydrophobicContact CZ2-CG 4.39Å |
| 87 | V | 70.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 110 | F14 T64 R83 L84 V90 L91 | F14-V87 HydrophobicContact CD1-CG1 4.45Å; F14-V87 HydrophobicContact CD2-CG1 4.35Å; F14-V87 HydrophobicContact CD2-CG2 4.46Å; F14-V87 HydrophobicContact CE1-CG1 4.08Å; F14-V87 HydrophobicContact CE2-CG1 3.98Å; F14-V87 HydrophobicContact CZ-CG1 3.88Å; T64-V87 HydrophobicContact CG2-CB 4.17Å; T64-V87 HydrophobicContact CG2-CG1 3.81Å; R83-V87 WeakPolarHBondContact O-CG2 3.27Å; R83-V87 PolarHBondContact O-N 2.82Å; L84-V87 PolarHBondContact O-N 3.35Å; V87-V90 PolarHBondContact O-N 3.34Å; V87-L91 HydrophobicContact CG1-CD1 3.56Å; V87-L91 VanDerWaalsContact O-CD1 3.29Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 PolarHBondContact O-N 3.29Å |
| 88 | L | 74.8 | Confident | 71.4 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.5 | -162.8 | 90.5 | 0 | 0 | 0 | 112.5 | T61 L84 W86 S92 | T61-L88 HydrophobicContact CG2-CD1 4.32Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 PolarHBondContact O-N 3.14Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 3.43Å; L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.18Å; L88-S92 PolarHBondContact O-OG 3.07Å; L88-S92 VanDerWaalsContact O-OG 3.11Å |
| 89 | T | 73.1 | Confident | 71.8 | Confident | 66 Ų | 66 | 54.7 Ų | 54.7 | 41% | 0.405 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 112 | L85 W86 S92 L93 | L85-T89 VanDerWaalsContact O-CG2 3.27Å; L85-T89 WeakPolarHBondContact O-CG2 3.45Å; L85-T89 PolarHBondContact O-N 3.32Å; L85-T89 PolarHBondContact O-OG1 3.22Å; L85-T89 VanDerWaalsContact O-OG1 3.1Å; W86-T89 WeakPolarHBondContact CA-OG1 3.44Å; W86-T89 PolarHBondContact O-N 3.32Å; W86-T89 PolarHBondContact O-OG1 3.42Å; T89-S92 WeakPolarHBondContact CA-OG 3.36Å; T89-S92 PolarHBondContact O-OG 3.42Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.29Å; T89-L93 PolarHBondContact O-N 3.34Å; T89-L93 VanDerWaalsContact O-N 3.07Å |
| 90 | V | 73.4 | Confident | 72.2 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.8 | -46.7 | 174.4 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | F14 W86 V87 L93 K94 L126 | F14-V90 HydrophobicContact CE2-CG1 3.94Å; F14-V90 HydrophobicContact CZ-CG1 4.22Å; W86-V90 WeakPolarHBondContact O-CG2 3.43Å; W86-V90 PolarHBondContact O-N 3.18Å; V87-V90 PolarHBondContact O-N 3.34Å; V90-L93 PolarHBondContact O-N 2.99Å; V90-K94 PolarHBondContact O-N 3.2Å; V90-L126 HydrophobicContact CB-CD1 4.23Å; V90-L126 HydrophobicContact CG1-CD1 3.91Å; V90-L126 HydrophobicContact CG2-CD1 4Å |
| 91 | L | 74.9 | Confident | 72.5 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 175 | -100.5 | 99.5 | 0 | 0 | 0 | 111.4 | F14 D57 T61 V87 L93 K94 L95 | F14-L91 HydrophobicContact CE1-CD1 3.41Å; F14-L91 VanDerWaalsContact CE1-CD1 3.41Å; F14-L91 HydrophobicContact CE1-CG 4.41Å; F14-L91 HydrophobicContact CE2-CD1 4.42Å; F14-L91 HydrophobicContact CZ-CD1 3.3Å; F14-L91 HydrophobicContact CZ-CG 4.27Å; D57-L91 WeakPolarHBondContact O-CD2 3.48Å; D57-L91 VanDerWaalsContact OD1-CD2 3.25Å; D57-L91 WeakPolarHBondContact OD1-CD2 3.47Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.44Å; V87-L91 HydrophobicContact CG1-CD1 3.56Å; V87-L91 VanDerWaalsContact O-CD1 3.29Å; V87-L91 WeakPolarHBondContact O-CD1 3.3Å; V87-L91 PolarHBondContact O-N 3.29Å; L91-L93 VanDerWaalsContact C-N 3.28Å; L91-L93 PolarHBondContact O-N 3.38Å; L91-K94 WeakPolarHBondContact O-CB 3.11Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-K94 VanDerWaalsContact O-N 3.13Å; L91-L95 PolarHBondContact O-N 3.01Å |
| 92 | S | 73.2 | Confident | 72.7 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | -177.6 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | L88 T89 L95 V96 | L88-S92 VanDerWaalsContact O-CB 3.29Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.18Å; L88-S92 PolarHBondContact O-OG 3.07Å; L88-S92 VanDerWaalsContact O-OG 3.11Å; T89-S92 WeakPolarHBondContact CA-OG 3.36Å; T89-S92 PolarHBondContact O-OG 3.42Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; S92-L95 PolarHBondContact O-N 2.9Å; S92-V96 WeakPolarHBondContact O-CB 3.23Å; S92-V96 VanDerWaalsContact O-CG2 3.24Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 2.9Å |
| 93 | L | 73.9 | Confident | 72.8 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.6 | -36.8 | 176.4 | -158.1 | 63.1 | 0 | 0 | 0 | 111.7 | T89 V90 L91 C97 P122 I125 L126 | T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.29Å; T89-L93 PolarHBondContact O-N 3.34Å; T89-L93 VanDerWaalsContact O-N 3.07Å; V90-L93 PolarHBondContact O-N 2.99Å; L91-L93 VanDerWaalsContact C-N 3.28Å; L91-L93 PolarHBondContact O-N 3.38Å; L93-C97 WeakPolarHBondContact O-CB 3.36Å; L93-C97 PolarHBondContact O-N 3.09Å; L93-P122 HydrophobicContact CD1-CB 3.7Å; L93-P122 WeakPolarHBondContact CD2-O 3.5Å; L93-P122 HydrophobicContact CG-CB 4.06Å; L93-I125 HydrophobicContact CD2-CB 4.18Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; L93-L126 HydrophobicContact CD2-CB 3.71Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å |
| 94 | K | 78.1 | Confident | 72.8 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 23% | 0.226 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 171.3 | 179.1 | -179.5 | 164.9 | -71.8 | 0 | 111.5 | D57 V90 L91 V96 C97 E98 | D57-K94 IonicContact OD2-NZ 2.82Å; D57-K94 PolarHBondContact OD2-NZ 2.84Å; V90-K94 PolarHBondContact O-N 3.2Å; L91-K94 WeakPolarHBondContact O-CB 3.11Å; L91-K94 PolarHBondContact O-N 3.48Å; L91-K94 VanDerWaalsContact O-N 3.13Å; K94-V96 PolarHBondContact O-N 3.34Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 3.47Å; K94-C97 VanDerWaalsContact O-N 3.15Å; K94-E98 VanDerWaalsContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 IonicContact NZ-OE1 2.65Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.81Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.39Å |
| 95 | L | 76.4 | Confident | 72.7 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.4 | -48 | 175.3 | -81.3 | 170.3 | 0 | 0 | 0 | 112.2 | F54 D57 L91 S92 C97 E98 V99 | F54-L95 HydrophobicContact CD1-CD2 3.71Å; F54-L95 HydrophobicContact CE1-CD2 4.08Å; D57-L95 HydrophobicContact CB-CD2 3.74Å; D57-L95 HydrophobicContact CB-CG 4.21Å; D57-L95 WeakPolarHBondContact OD1-CD1 3.48Å; D57-L95 WeakPolarHBondContact OD1-CD2 3.41Å; D57-L95 WeakPolarHBondContact OD1-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.01Å; S92-L95 PolarHBondContact O-N 2.9Å; L95-C97 PolarHBondContact O-N 3.47Å; L95-E98 PolarHBondContact O-N 3.15Å; L95-E98 VanDerWaalsContact O-N 3.14Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.04Å |
| 96 | V | 77.3 | Confident | 72.4 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 178 | 168.4 | 0 | 0 | 0 | 0 | 110.2 | S92 K94 V99 L100 | S92-V96 WeakPolarHBondContact O-CB 3.23Å; S92-V96 VanDerWaalsContact O-CG2 3.24Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 2.9Å; K94-V96 PolarHBondContact O-N 3.34Å; V96-V99 PolarHBondContact O-N 3.02Å; V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 VanDerWaalsContact O-CB 3.31Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CD1 3.34Å; V96-L100 VanDerWaalsContact O-CG 3.23Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.44Å |
| 97 | C | 73.1 | Confident | 72 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.6 | -150.5 | 0 | 0 | 0 | 0 | 112 | L93 K94 L95 L100 L101 P122 | L93-C97 WeakPolarHBondContact O-CB 3.36Å; L93-C97 PolarHBondContact O-N 3.09Å; K94-C97 WeakPolarHBondContact O-CB 3.37Å; K94-C97 PolarHBondContact O-N 3.47Å; K94-C97 VanDerWaalsContact O-N 3.15Å; L95-C97 PolarHBondContact O-N 3.47Å; C97-L100 PolarHBondContact O-N 3.07Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.16Å; C97-L101 PolarHBondContact O-N 3.07Å; C97-P122 HydrophobicContact CB-CG 4.5Å |
| 98 | E | 74.1 | Confident | 71.2 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 176.4 | -72.2 | 176.8 | -177.7 | 0 | 0 | 112.6 | L53 F54 K94 L95 L101 C102 | L53-E98 HydrophobicContact CD2-CG 4.05Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.24Å; F54-E98 HydrophobicContact CE1-CB 4.15Å; F54-E98 HydrophobicContact CZ-CB 4.39Å; K94-E98 VanDerWaalsContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 IonicContact NZ-OE1 2.65Å; K94-E98 PolarHBondContact NZ-OE1 3.14Å; K94-E98 IonicContact NZ-OE2 3.81Å; K94-E98 WeakPolarHBondContact O-CG 3.42Å; K94-E98 PolarHBondContact O-N 3.39Å; L95-E98 PolarHBondContact O-N 3.15Å; L95-E98 VanDerWaalsContact O-N 3.14Å; E98-L101 PolarHBondContact O-N 3.03Å; E98-C102 PolarHBondContact O-N 2.94Å; E98-C102 PolarHBondContact O-SG 3.29Å |
| 99 | V | 72.6 | Confident | 70.2 | Confident | 48 Ų | 48 | 50 Ų | 50 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | F54 L95 V96 L101 C102 Q103 | F54-V99 HydrophobicContact CE1-CG2 3.64Å; F54-V99 HydrophobicContact CZ-CG2 3.75Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.04Å; V96-V99 PolarHBondContact O-N 3.02Å; V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 3.13Å; V99-C102 WeakPolarHBondContact O-CB 3.36Å; V99-C102 PolarHBondContact O-N 2.93Å; V99-Q103 WeakPolarHBondContact O-CG 3.4Å; V99-Q103 PolarHBondContact O-N 3.4Å |
| 100 | L | 70.8 | Confident | 69.2 | Low | 29 Ų | 29 | 54.5 Ų | 54.5 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.2 | -77.3 | 162.3 | 0 | 0 | 0 | 111.2 | V96 C97 K104 L118 P122 | V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 VanDerWaalsContact O-CB 3.31Å; V96-L100 WeakPolarHBondContact O-CB 3.47Å; V96-L100 WeakPolarHBondContact O-CD1 3.34Å; V96-L100 VanDerWaalsContact O-CG 3.23Å; V96-L100 WeakPolarHBondContact O-CG 3.33Å; V96-L100 PolarHBondContact O-N 3.44Å; C97-L100 PolarHBondContact O-N 3.07Å; L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.98Å; L100-L118 HydrophobicContact CD2-CD2 4.45Å; L100-P122 HydrophobicContact CD1-CG 3.93Å |
| 101 | L | 70.2 | Confident | 68.1 | Low | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 174 | -75.2 | 168.1 | 0 | 0 | 0 | 111.9 | F50 C97 E98 V99 K104 L105 I119 | F50-L101 HydrophobicContact CE1-CB 4.27Å; F50-L101 HydrophobicContact CZ-CB 4.13Å; C97-L101 WeakPolarHBondContact O-CB 3.38Å; C97-L101 VanDerWaalsContact O-CG 3.24Å; C97-L101 WeakPolarHBondContact O-CG 3.16Å; C97-L101 PolarHBondContact O-N 3.07Å; E98-L101 PolarHBondContact O-N 3.03Å; V99-L101 VanDerWaalsContact C-N 3.29Å; V99-L101 PolarHBondContact O-N 3.13Å; L101-K104 WeakPolarHBondContact O-CB 3.26Å; L101-K104 PolarHBondContact O-N 3.38Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.41Å; L101-L105 PolarHBondContact O-N 3.15Å; L101-I119 HydrophobicContact CD2-CG2 3.78Å; L101-I119 HydrophobicContact CG-CG2 4.1Å |
| 102 | C | 71.8 | Confident | 66.8 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 174.5 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | F50 E98 V99 K104 L105 A106 | F50-C102 WeakPolarHBondContact CB-SG 3.42Å; F50-C102 WeakPolarHBondContact CD1-SG 3.45Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.29Å; F50-C102 WeakPolarHBondContact CG-SG 3.37Å; E98-C102 PolarHBondContact O-N 2.94Å; E98-C102 PolarHBondContact O-SG 3.29Å; V99-C102 WeakPolarHBondContact O-CB 3.36Å; V99-C102 PolarHBondContact O-N 2.93Å; C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 3.45Å; C102-L105 PolarHBondContact O-N 3.47Å; C102-A106 WeakPolarHBondContact O-CB 3.24Å; C102-A106 PolarHBondContact O-N 2.97Å |
| 103 | Q | 69.6 | Low | 65.6 | Low | 85 Ų | 85 | 73.1 Ų | 73.1 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 179.8 | -74.7 | -178.5 | -10.9 | 0 | 0 | 111 | V99 A106 E107 | V99-Q103 WeakPolarHBondContact O-CG 3.4Å; V99-Q103 PolarHBondContact O-N 3.4Å; Q103-A106 PolarHBondContact O-N 3.15Å; Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.5Å; Q103-E107 WeakPolarHBondContact O-CG 3.45Å; Q103-E107 PolarHBondContact O-N 2.79Å |
| 104 | K | 68.8 | Low | 64.7 | Low | 17 Ų | 17 | 74.5 Ų | 74.5 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 175.2 | -76.2 | -84.8 | -172.4 | 149.8 | 0 | 113.4 | L100 L101 C102 A106 E107 Q108 L114 W115 I119 | L100-K104 WeakPolarHBondContact O-CB 3.46Å; L100-K104 WeakPolarHBondContact O-CG 3.38Å; L100-K104 PolarHBondContact O-N 2.98Å; L101-K104 WeakPolarHBondContact O-CB 3.26Å; L101-K104 PolarHBondContact O-N 3.38Å; C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 3.45Å; K104-A106 VanDerWaalsContact C-N 3.28Å; K104-A106 PolarHBondContact O-N 3.06Å; K104-E107 PolarHBondContact O-N 2.95Å; K104-Q108 WeakPolarHBondContact O-CB 3.35Å; K104-Q108 PolarHBondContact O-N 3.41Å; K104-L114 HydrophobicContact CD-CB 3.74Å; K104-L114 HydrophobicContact CD-CD2 3.98Å; K104-L114 HydrophobicContact CD-CG 4.39Å; K104-L114 HydrophobicContact CG-CD2 4.37Å; K104-L114 PolarHBondContact NZ-O 3.25Å; K104-W115 VanDerWaalsContact NZ-C 3.29Å; K104-W115 PolarHBondContact NZ-O 3.25Å; K104-I119 HydrophobicContact CB-CD1 4.32Å; K104-I119 HydrophobicContact CD-CD1 3.63Å; K104-I119 HydrophobicContact CD-CG1 4.15Å; K104-I119 VanDerWaalsContact CE-CG1 3.42Å; K104-I119 HydrophobicContact CG-CD1 3.53Å; K104-I119 HydrophobicContact CG-CG1 3.93Å |
| 105 | L | 65.4 | Low | 63.7 | Low | 53 Ų | 53 | 82.3 Ų | 82.3 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | -179.6 | -78.3 | 150.7 | 0 | 0 | 0 | 111.2 | W46 F50 L101 C102 | W46-L105 HydrophobicContact CB-CB 4.33Å; W46-L105 HydrophobicContact CD2-CB 3.61Å; W46-L105 HydrophobicContact CD2-CD2 4.27Å; W46-L105 HydrophobicContact CD2-CG 4.42Å; W46-L105 HydrophobicContact CE3-CB 3.88Å; W46-L105 HydrophobicContact CE3-CD1 4.23Å; W46-L105 HydrophobicContact CE3-CD2 3.98Å; W46-L105 HydrophobicContact CE3-CG 4.25Å; W46-L105 HydrophobicContact CG-CB 3.83Å; W46-L105 HydrophobicContact CH2-CD2 3.67Å; W46-L105 HydrophobicContact CZ2-CD2 3.95Å; W46-L105 HydrophobicContact CZ3-CB 4.46Å; W46-L105 HydrophobicContact CZ3-CD1 4.43Å; W46-L105 HydrophobicContact CZ3-CD2 3.68Å; W46-L105 HydrophobicContact CZ3-CG 4.42Å; W46-L105 PolarHBondContact NE1-O 3.36Å; W46-L105 VanDerWaalsContact NE1-O 3.14Å; F50-L105 HydrophobicContact CE2-CD1 3.6Å; F50-L105 HydrophobicContact CZ-CD1 3.62Å; L101-L105 WeakPolarHBondContact O-CB 3.38Å; L101-L105 WeakPolarHBondContact O-CD1 3.41Å; L101-L105 PolarHBondContact O-N 3.15Å; C102-L105 PolarHBondContact O-N 3.47Å |
| 106 | A | 66.5 | Low | 62.9 | Low | 35 Ų | 35 | 87.5 Ų | 87.5 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.3 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C102 Q103 K104 E109 | C102-A106 WeakPolarHBondContact O-CB 3.24Å; C102-A106 PolarHBondContact O-N 2.97Å; Q103-A106 PolarHBondContact O-N 3.15Å; K104-A106 VanDerWaalsContact C-N 3.28Å; K104-A106 PolarHBondContact O-N 3.06Å; A106-E109 WeakPolarHBondContact O-CB 3.31Å |
| 107 | E | 63 | Low | 62.1 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 34% | 0.341 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -79.8 | -25.7 | 178.8 | -76.6 | -176.9 | 152 | 0 | 0 | 113.4 | Q103 K104 E109 Q110 A111 L114 | Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.5Å; Q103-E107 WeakPolarHBondContact O-CG 3.45Å; Q103-E107 PolarHBondContact O-N 2.79Å; K104-E107 PolarHBondContact O-N 2.95Å; E107-E109 PolarHBondContact O-N 3.34Å; E107-Q110 CarbonylContact O-C 3.33Å; E107-Q110 WeakPolarHBondContact O-CA 3.38Å; E107-Q110 PolarHBondContact O-N 3.4Å; E107-A111 PolarHBondContact O-N 3.4Å; E107-A111 VanDerWaalsContact O-N 3.16Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.43Å |
| 108 | Q | 55.3 | Low | 61.7 | Low | 146 Ų | 146 | 90.4 Ų | 90.4 | 68% | 0.682 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.3 | -26.6 | 174.1 | -171.1 | 151.9 | -48.2 | 0 | 0 | 111.5 | K104 Q110 | K104-Q108 WeakPolarHBondContact O-CB 3.35Å; K104-Q108 PolarHBondContact O-N 3.41Å; Q108-Q110 PolarHBondContact O-N 2.98Å |
| 109 | E | 53.4 | Low | 61.3 | Low | 115 Ų | 115 | 90.8 Ų | 90.8 | 54% | 0.537 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.3 | 166.9 | -148.1 | 171.3 | 177.4 | 0 | 0 | 112.1 | R36 W46 A106 E107 | R36-E109 IonicContact NH2-OE2 3.91Å; W46-E109 PolarHBondContact NE1-OE2 3.28Å; A106-E109 WeakPolarHBondContact O-CB 3.31Å; E107-E109 PolarHBondContact O-N 3.34Å |
| 110 | Q | 52.6 | Low | 61.1 | Low | 161 Ų | 161 | 92 Ų | 92 | 75% | 0.752 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 11.9 | -174.7 | -155.3 | 74.1 | -13.6 | 0 | 0 | 114.1 | E107 Q108 | E107-Q110 CarbonylContact O-C 3.33Å; E107-Q110 WeakPolarHBondContact O-CA 3.38Å; E107-Q110 PolarHBondContact O-N 3.4Å; Q108-Q110 PolarHBondContact O-N 2.98Å |
| 111 | A | 50.5 | Low | 61.3 | Low | 94 Ų | 94 | 93.3 Ų | 93.3 | 78% | 0.777 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 51.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E107 | E107-A111 PolarHBondContact O-N 3.4Å; E107-A111 VanDerWaalsContact O-N 3.16Å |
| 112 | R | 46.7 | Very low | 61.3 | Low | 207 Ų | 207 | 90.7 Ų | 90.7 | 78% | 0.781 | 46% | 0.464 | S | S | * | . | trans | -127.8 | 117.3 | 164.3 | -106.3 | -179.9 | 175.8 | 178 | -0.6 | 111.8 | L114 | R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.96Å | ||
| 113 | D | 48.2 | Very low | 61.3 | Low | 163 Ų | 163 | 95.3 Ų | 95.3 | 87% | 0.872 | 49% | 0.487 | S | S | * | . | trans | -64.1 | 82 | 174.7 | -77.4 | -49.2 | 0 | 0 | 0 | 111.1 | ||||
| 114 | L | 54 | Low | 61.5 | Low | 62 Ų | 62 | 96.8 Ų | 96.8 | 33% | 0.325 | 49% | 0.493 | S | S | . | . | trans | -68.8 | 139.2 | 165 | -149.6 | 86.8 | 0 | 0 | 0 | 106.4 | K104 E107 R112 F116 | K104-L114 HydrophobicContact CD-CB 3.74Å; K104-L114 HydrophobicContact CD-CD2 3.98Å; K104-L114 HydrophobicContact CD-CG 4.39Å; K104-L114 HydrophobicContact CG-CD2 4.37Å; K104-L114 PolarHBondContact NZ-O 3.25Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.43Å; R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.96Å; L114-F116 PolarHBondContact O-N 3.35Å | ||
| 115 | W | 57.3 | Low | 61.9 | Low | 216 Ų | 216 | 99.6 Ų | 99.6 | 82% | 0.818 | 51% | 0.508 | S | S | * | . | trans | -70.9 | 130 | -171 | -73.4 | 61.8 | 0 | 0 | 0 | 111.7 | K104 G117 L118 | K104-W115 VanDerWaalsContact NZ-C 3.29Å; K104-W115 PolarHBondContact NZ-O 3.25Å; W115-G117 PolarHBondContact O-N 3.46Å; W115-G117 VanDerWaalsContact O-N 3.17Å; W115-L118 PolarHBondContact O-N 2.96Å | ||
| 116 | F | 59.5 | Low | 62.2 | Low | 160 Ų | 160 | 98.8 Ų | 98.8 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.6 | -29.8 | 177.8 | -105 | -95.9 | 0 | 0 | 0 | 112.6 | L114 L118 I119 V120 | L114-F116 PolarHBondContact O-N 3.35Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.97Å; F116-I119 PolarHBondContact O-N 3.01Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.33Å |
| 117 | G | 61.2 | Low | 62.4 | Low | 53 Ų | 53 | 102.6 Ų | 102.6 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -30.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | W115 S121 | W115-G117 PolarHBondContact O-N 3.46Å; W115-G117 VanDerWaalsContact O-N 3.17Å; G117-S121 PolarHBondContact O-N 3.43Å; G117-S121 VanDerWaalsContact O-N 3.13Å |
| 118 | L | 65.4 | Low | 63.1 | Low | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73 | -31.8 | -179.6 | -168.9 | 65.9 | 0 | 0 | 0 | 112.4 | L100 W115 F116 P122 | L100-L118 HydrophobicContact CD2-CD2 4.45Å; W115-L118 PolarHBondContact O-N 2.96Å; F116-L118 VanDerWaalsContact C-N 3.3Å; F116-L118 PolarHBondContact O-N 2.97Å; L118-P122 WeakPolarHBondContact O-CD 3.23Å |
| 119 | I | 64.8 | Low | 64 | Low | 21 Ų | 21 | 99.1 Ų | 99.1 | 11% | 0.108 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -73 | -40.5 | 176.6 | -47.7 | 172.6 | 0 | 0 | 0 | 110.5 | L101 K104 F116 S121 P122 | L101-I119 HydrophobicContact CD2-CG2 3.78Å; L101-I119 HydrophobicContact CG-CG2 4.1Å; K104-I119 HydrophobicContact CB-CD1 4.32Å; K104-I119 HydrophobicContact CD-CD1 3.63Å; K104-I119 HydrophobicContact CD-CG1 4.15Å; K104-I119 VanDerWaalsContact CE-CG1 3.42Å; K104-I119 HydrophobicContact CG-CD1 3.53Å; K104-I119 HydrophobicContact CG-CG1 3.93Å; F116-I119 PolarHBondContact O-N 3.01Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.44Å; I119-P122 VanDerWaalsContact O-CD 3.31Å; I119-P122 WeakPolarHBondContact O-CD 3.42Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å |
| 120 | V | 67.4 | Low | 64.7 | Low | 73 Ų | 73 | 95.9 Ų | 95.9 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -75.4 | -23.4 | -175.7 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | F116 L123 F124 | F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.33Å; V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.23Å; V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 3.32Å |
| 121 | S | 75.1 | Confident | 65.8 | Low | 57 Ų | 57 | 94.3 Ų | 94.3 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.6 | -54.6 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 114.2 | G117 I119 L123 F124 I125 | G117-S121 PolarHBondContact O-N 3.43Å; G117-S121 VanDerWaalsContact O-N 3.13Å; I119-S121 VanDerWaalsContact C-N 3.3Å; I119-S121 PolarHBondContact O-N 3.44Å; S121-L123 VanDerWaalsContact C-N 3.32Å; S121-L123 PolarHBondContact O-N 2.87Å; S121-F124 PolarHBondContact O-N 2.93Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.15Å; S121-I125 PolarHBondContact O-N 3.44Å |
| 122 | P | 71.6 | Confident | 67 | Low | 12 Ų | 12 | 95 Ų | 95 | 8% | 0.078 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 177.2 | 20.9 | -30.5 | 0 | 0 | 0 | 112.9 | L93 C97 L100 L118 I119 F124 I125 L126 | L93-P122 HydrophobicContact CD1-CB 3.7Å; L93-P122 WeakPolarHBondContact CD2-O 3.5Å; L93-P122 HydrophobicContact CG-CB 4.06Å; C97-P122 HydrophobicContact CB-CG 4.5Å; L100-P122 HydrophobicContact CD1-CG 3.93Å; L118-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 VanDerWaalsContact O-CD 3.31Å; I119-P122 WeakPolarHBondContact O-CD 3.42Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å; P122-F124 VanDerWaalsContact C-N 3.33Å; P122-F124 PolarHBondContact O-N 3.44Å; P122-I125 PolarHBondContact O-N 2.97Å; P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.46Å |
| 123 | L | 70.8 | Confident | 67.9 | Low | 97 Ų | 97 | 87.5 Ų | 87.5 | 51% | 0.508 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174 | -167.6 | 91.4 | 0 | 0 | 0 | 111.5 | V120 S121 L126 L127 | V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.23Å; S121-L123 VanDerWaalsContact C-N 3.32Å; S121-L123 PolarHBondContact O-N 2.87Å; L123-L126 WeakPolarHBondContact O-CB 3.1Å; L123-L126 PolarHBondContact O-N 2.95Å; L123-L127 PolarHBondContact O-N 3.33Å |
| 124 | F | 74.1 | Confident | 68.8 | Low | 117 Ų | 117 | 80.5 Ų | 80.5 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | -179.7 | -164.4 | -103.6 | 0 | 0 | 0 | 111.8 | V120 S121 P122 L126 L127 Q128 | V120-F124 WeakPolarHBondContact O-CB 3.32Å; V120-F124 PolarHBondContact O-N 3.32Å; S121-F124 PolarHBondContact O-N 2.93Å; P122-F124 VanDerWaalsContact C-N 3.33Å; P122-F124 PolarHBondContact O-N 3.44Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 2.85Å; F124-Q128 HydrophobicContact CD1-CG 4.42Å; F124-Q128 VanDerWaalsContact CE1-CD 3.46Å; F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 PolarHBondContact O-N 3.35Å |
| 125 | I | 77.1 | Confident | 69.4 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 173.9 | -66.3 | 165.1 | 0 | 0 | 0 | 110.4 | L93 S121 P122 Q128 L129 | L93-I125 HydrophobicContact CD2-CB 4.18Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; S121-I125 VanDerWaalsContact O-CG1 3.32Å; S121-I125 WeakPolarHBondContact O-CG1 3.15Å; S121-I125 PolarHBondContact O-N 3.44Å; P122-I125 PolarHBondContact O-N 2.97Å; I125-Q128 PolarHBondContact O-N 3.4Å; I125-L129 HydrophobicContact CG2-CD1 4.04Å; I125-L129 WeakPolarHBondContact O-CB 3.19Å; I125-L129 PolarHBondContact O-N 2.9Å |
| 126 | L | 72.8 | Confident | 69.8 | Low | 36 Ų | 36 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.1 | -173.9 | 69.6 | 0 | 0 | 0 | 111.5 | V90 L93 P122 L123 F124 L129 L130 | V90-L126 HydrophobicContact CB-CD1 4.23Å; V90-L126 HydrophobicContact CG1-CD1 3.91Å; V90-L126 HydrophobicContact CG2-CD1 4Å; L93-L126 HydrophobicContact CD2-CB 3.71Å; L93-L126 HydrophobicContact CD2-CD1 4.09Å; P122-L126 WeakPolarHBondContact O-CB 3.39Å; P122-L126 PolarHBondContact O-N 3.46Å; L123-L126 WeakPolarHBondContact O-CB 3.1Å; L123-L126 PolarHBondContact O-N 2.95Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 3Å; L126-L129 PolarHBondContact O-N 2.93Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.44Å |
| 127 | L | 70.9 | Confident | 69.8 | Low | 114 Ų | 114 | 76.7 Ų | 76.7 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | -180 | -148.7 | 82 | 0 | 0 | 0 | 111.7 | L123 F124 L130 M131 | L123-L127 PolarHBondContact O-N 3.33Å; F124-L127 PolarHBondContact O-N 2.85Å; L127-L130 PolarHBondContact O-N 3.2Å; L127-M131 PolarHBondContact O-N 3.49Å |
| 128 | Q | 77.1 | Confident | 69 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 175.7 | -77.6 | 175.5 | -34.5 | 0 | 0 | 112.4 | F124 I125 L130 M131 I132 | F124-Q128 HydrophobicContact CD1-CG 4.42Å; F124-Q128 VanDerWaalsContact CE1-CD 3.46Å; F124-Q128 HydrophobicContact CE1-CG 4.26Å; F124-Q128 PolarHBondContact O-N 3.35Å; I125-Q128 PolarHBondContact O-N 3.4Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.14Å; Q128-M131 PolarHBondContact O-N 2.77Å; Q128-I132 WeakPolarHBondContact O-CG1 3.31Å; Q128-I132 PolarHBondContact O-N 3.28Å |
| 129 | L | 72.8 | Confident | 69.2 | Low | 52 Ų | 52 | 82.8 Ų | 82.8 | 27% | 0.272 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.8 | -87.8 | 159.7 | 0 | 0 | 0 | 111.7 | W86 I125 L126 I132 R133 | W86-L129 HydrophobicContact CH2-CB 3.88Å; W86-L129 HydrophobicContact CH2-CD2 3.4Å; W86-L129 VanDerWaalsContact CH2-CD2 3.4Å; W86-L129 HydrophobicContact CH2-CG 4.26Å; W86-L129 WeakPolarHBondContact CH2-O 3.44Å; W86-L129 HydrophobicContact CZ2-CB 4.18Å; W86-L129 HydrophobicContact CZ2-CD2 4.37Å; W86-L129 HydrophobicContact CZ3-CD2 3.53Å; I125-L129 HydrophobicContact CG2-CD1 4.04Å; I125-L129 WeakPolarHBondContact O-CB 3.19Å; I125-L129 PolarHBondContact O-N 2.9Å; L126-L129 PolarHBondContact O-N 2.93Å; L129-I132 PolarHBondContact O-N 3.01Å; L129-R133 PolarHBondContact O-N 3.32Å; L129-R133 VanDerWaalsContact O-N 3.14Å |
| 130 | L | 69.2 | Low | 69.4 | Low | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 175.2 | -75.5 | 164.8 | 0 | 0 | 0 | 111.8 | L12 L126 L127 Q128 R133 A134 | L12-L130 HydrophobicContact CD1-CD2 3.81Å; L126-L130 HydrophobicContact CG-CD1 4.37Å; L126-L130 WeakPolarHBondContact O-CG 3.33Å; L126-L130 PolarHBondContact O-N 3.44Å; L127-L130 PolarHBondContact O-N 3.2Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.14Å; L130-R133 PolarHBondContact O-N 3.48Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.41Å |
| 131 | M | 74.6 | Confident | 69.5 | Low | 129 Ų | 129 | 86.7 Ų | 86.7 | 64% | 0.635 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 177.3 | -172 | -173.6 | 177.3 | 0 | 0 | 112.6 | L127 Q128 R133 A134 C135 | L127-M131 PolarHBondContact O-N 3.49Å; Q128-M131 PolarHBondContact O-N 2.77Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.29Å; M131-A134 VanDerWaalsContact O-CB 3.23Å; M131-A134 WeakPolarHBondContact O-CB 3.49Å; M131-A134 PolarHBondContact O-N 2.6Å; M131-C135 PolarHBondContact O-N 2.97Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.36Å |
| 132 | I | 75.7 | Confident | 69.2 | Low | 108 Ų | 108 | 88.5 Ų | 88.5 | 55% | 0.554 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 177.9 | -67.5 | 164.7 | 0 | 0 | 0 | 110.7 | Q128 L129 C135 R136 | Q128-I132 WeakPolarHBondContact O-CG1 3.31Å; Q128-I132 PolarHBondContact O-N 3.28Å; L129-I132 PolarHBondContact O-N 3.01Å; I132-C135 PolarHBondContact O-N 3.3Å; I132-R136 PolarHBondContact O-N 3.16Å |
| 133 | R | 67.4 | Low | 69 | Low | 49 Ų | 49 | 93.3 Ų | 93.3 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 177.7 | -168.3 | 172.9 | 174.4 | -171.4 | -13.1 | 111.8 | Q10 W11 L12 W86 L129 L130 M131 C135 R136 V137 | Q10-R133 PolarHBondContact O-NH2 2.79Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.13Å; W11-R133 PolarHBondContact O-NH1 3.08Å; W11-R133 PolarHBondContact O-NH2 3.44Å; L12-R133 PolarHBondContact O-NH1 2.85Å; W86-R133 HydrophobicContact CH2-CB 4.12Å; W86-R133 HydrophobicContact CZ2-CB 3.95Å; W86-R133 HydrophobicContact CZ2-CG 4.39Å; L129-R133 PolarHBondContact O-N 3.32Å; L129-R133 VanDerWaalsContact O-N 3.14Å; L130-R133 PolarHBondContact O-N 3.48Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.29Å; R133-C135 PolarHBondContact O-N 3.22Å; R133-R136 PolarHBondContact O-N 2.9Å; R133-V137 HydrophobicContact CG-CG2 4.2Å; R133-V137 VanDerWaalsContact O-CG2 3.32Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 2.81Å |
| 134 | A | 65.6 | Low | 68.9 | Low | 17 Ų | 17 | 93 Ų | 93 | 14% | 0.14 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -49.5 | -48.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W11 L130 M131 R136 | W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 VanDerWaalsContact CH2-CA 3.43Å; W11-A134 HydrophobicContact CH2-CB 3.24Å; W11-A134 HydrophobicContact CZ2-CB 4.24Å; W11-A134 HydrophobicContact CZ3-CB 2.97Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.41Å; M131-A134 VanDerWaalsContact O-CB 3.23Å; M131-A134 WeakPolarHBondContact O-CB 3.49Å; M131-A134 PolarHBondContact O-N 2.6Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.43Å |
| 135 | C | 67.2 | Low | 68.6 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -72.9 | -19 | -178.5 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | M131 I132 R133 | M131-C135 PolarHBondContact O-N 2.97Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.36Å; I132-C135 PolarHBondContact O-N 3.3Å; R133-C135 PolarHBondContact O-N 3.22Å |
| 136 | R | 64.9 | Low | 67.9 | Low | 206 Ų | 206 | 92.5 Ų | 92.5 | 78% | 0.777 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -92 | -14.8 | 178.5 | -79.9 | -122.5 | -73.5 | 177.4 | -4.8 | 114.3 | I132 R133 A134 | I132-R136 PolarHBondContact O-N 3.16Å; R133-R136 PolarHBondContact O-N 2.9Å; A134-R136 VanDerWaalsContact C-N 3.31Å; A134-R136 PolarHBondContact O-N 3.43Å |
| 137 | V | 59.4 | Low | 67.5 | Low | 61 Ų | 61 | 97.2 Ų | 97.2 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -95.9 | -12.1 | -175.6 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | R133 | R133-V137 HydrophobicContact CG-CG2 4.2Å; R133-V137 VanDerWaalsContact O-CG2 3.32Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 2.81Å |
| 138 | N | 45.2 | Very low | 67.2 | Low | 199 Ų | 199 | 95.6 Ų | 95.6 | 100% | 1.064 | 48% | 0.481 | S | S | * | . | trans | -85.2 | 0 | 164.5 | -90.8 | 5.6 | 0 | 0 | 0 | 111.4 |
Retrieved 138 of 138 residues in 128.8 ms
(Link to these results)