| 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 | 44 | Very low | 51.8 | Low | 214 Ų | 214 | 135.4 Ų | 135.4 | 100% | 1.054 | 65% | 0.651 | S | S | * | * | 0 | -27.8 | 0 | -131.7 | 173.3 | -173.4 | 0 | 0 | 114.5 | T4 | M1-T4 PolarHBondContact O-OG1 3.33Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å | |||
| 2 | L | 45.6 | Very low | 52.7 | Low | 144 Ų | 144 | 131.4 Ų | 131.4 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.2 | -31.9 | 176.7 | -98.1 | 138.8 | 0 | 0 | 0 | 114.6 | K5 N6 | L2-K5 PolarHBondContact O-N 3.2Å; L2-N6 PolarHBondContact O-N 3.18Å |
| 3 | F | 39.9 | Very low | 53.8 | Low | 188 Ų | 188 | 126.5 Ų | 126.5 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.2 | -36.2 | -176 | -131.2 | -94.2 | 0 | 0 | 0 | 113.5 | L7 | F3-L7 PolarHBondContact O-N 3.18Å |
| 4 | T | 48.7 | Very low | 54.8 | Low | 102 Ų | 102 | 127.6 Ų | 127.6 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.4 | -34.4 | 172.8 | 42.3 | 0 | 0 | 0 | 0 | 111.8 | M1 S8 | M1-T4 PolarHBondContact O-OG1 3.33Å; M1-T4 VanDerWaalsContact O-OG1 3.12Å; T4-S8 PolarHBondContact O-N 3.1Å; T4-S8 VanDerWaalsContact O-N 3.14Å |
| 5 | K | 53.2 | Low | 55.7 | Low | 143 Ų | 143 | 126.1 Ų | 126.1 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.7 | -40.9 | 177 | -153 | 172.4 | -177.4 | 177 | 0 | 112 | L2 R9 | L2-K5 PolarHBondContact O-N 3.2Å; K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 WeakPolarHBondContact O-CG 3.18Å; K5-R9 PolarHBondContact O-N 2.91Å |
| 6 | N | 54.5 | Low | 56.2 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -36.5 | 178.3 | -102.1 | -12.8 | 0 | 0 | 0 | 113.9 | L2 R9 R10 | L2-N6 PolarHBondContact O-N 3.18Å; N6-R9 PolarHBondContact O-N 3Å; N6-R10 PolarHBondContact O-N 3.36Å; N6-R10 VanDerWaalsContact O-N 3.15Å |
| 7 | L | 47.8 | Very low | 56.9 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 60% | 0.597 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 178.9 | -165.8 | 67.5 | 0 | 0 | 0 | 111.7 | F3 K11 | F3-L7 PolarHBondContact O-N 3.18Å; L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.43Å |
| 8 | S | 54.7 | Low | 57.5 | Low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.7 | -39.7 | 173.2 | -162.2 | 0 | 0 | 0 | 0 | 111.9 | T4 K11 L12 | T4-S8 PolarHBondContact O-N 3.1Å; T4-S8 VanDerWaalsContact O-N 3.14Å; S8-K11 PolarHBondContact O-N 3.41Å; S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.42Å |
| 9 | R | 60.1 | Low | 58 | Low | 85 Ų | 85 | 118.8 Ų | 118.8 | 32% | 0.321 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -46.3 | 177.2 | -90.1 | -178.8 | 153.4 | -174.7 | -2.5 | 113.6 | K5 N6 K11 L12 L13 D127 | K5-R9 WeakPolarHBondContact O-CB 3.34Å; K5-R9 WeakPolarHBondContact O-CG 3.18Å; K5-R9 PolarHBondContact O-N 2.91Å; N6-R9 PolarHBondContact O-N 3Å; R9-K11 VanDerWaalsContact C-N 3.34Å; R9-L12 PolarHBondContact O-N 2.92Å; R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.3Å; R9-D127 IonicContact CZ-OD1 3.93Å; R9-D127 IonicContact NE-OD1 3.1Å; R9-D127 PolarHBondContact NE-OD1 2.99Å; R9-D127 IonicContact NE-OD2 2.65Å; R9-D127 IonicContact NH2-OD1 3.81Å; R9-D127 PolarHBondContact NH2-OD1 3.43Å |
| 10 | R | 59.7 | Low | 58.4 | Low | 178 Ų | 178 | 114.4 Ų | 114.4 | 67% | 0.672 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -47.2 | 174.4 | -75 | -174 | 177.7 | -176 | -0.3 | 110.2 | N6 L12 L13 F14 | N6-R10 PolarHBondContact O-N 3.36Å; N6-R10 VanDerWaalsContact O-N 3.15Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.01Å; R10-L13 PolarHBondContact O-N 3.01Å; R10-F14 HydrophobicContact CB-CD2 4.16Å; R10-F14 HydrophobicContact CB-CE2 4.22Å; R10-F14 VanDerWaalsContact O-CB 3.31Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 WeakPolarHBondContact O-CD2 3.44Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 2.9Å |
| 11 | K | 61.4 | Low | 58.9 | Low | 149 Ų | 149 | 115.5 Ų | 115.5 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -37.3 | 178.3 | -74.7 | -172.1 | 177.2 | -172.1 | 0 | 112.7 | L7 S8 R9 L15 | L7-K11 WeakPolarHBondContact O-CG 3.31Å; L7-K11 PolarHBondContact O-N 3.43Å; S8-K11 PolarHBondContact O-N 3.41Å; R9-K11 VanDerWaalsContact C-N 3.34Å; K11-L15 WeakPolarHBondContact O-CA 3.16Å; K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 3.11Å |
| 12 | L | 63.2 | Low | 60.1 | Low | 88 Ų | 88 | 108.6 Ų | 108.6 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.7 | -41.3 | 179.7 | -163.3 | 69.2 | 0 | 0 | 0 | 112.1 | S8 R9 R10 L15 G16 L123 | S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 PolarHBondContact O-N 3.42Å; R9-L12 PolarHBondContact O-N 2.92Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.91Å; L12-G16 PolarHBondContact O-N 3.46Å; L12-L123 HydrophobicContact CD2-CD2 3.62Å; L12-L123 HydrophobicContact CG-CD2 4.26Å |
| 13 | L | 67.3 | Low | 61 | Low | 67 Ų | 67 | 103.1 Ų | 103.1 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 172.3 | -72.1 | 173 | 0 | 0 | 0 | 111.4 | R9 R10 L15 G16 L17 L123 | R9-L13 WeakPolarHBondContact O-CG 3.45Å; R9-L13 PolarHBondContact O-N 3.3Å; R10-L13 PolarHBondContact O-N 3.01Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-G16 PolarHBondContact O-N 3.41Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 3.32Å; L13-L123 HydrophobicContact CD2-CD1 4.41Å |
| 14 | F | 67.5 | Low | 62.3 | Low | 143 Ų | 143 | 98 Ų | 98 | 63% | 0.627 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.4 | -36 | 173.7 | -78.6 | -64.7 | 0 | 0 | 0 | 111.4 | R10 Y18 | R10-F14 HydrophobicContact CB-CD2 4.16Å; R10-F14 HydrophobicContact CB-CE2 4.22Å; R10-F14 VanDerWaalsContact O-CB 3.31Å; R10-F14 WeakPolarHBondContact O-CB 3.28Å; R10-F14 WeakPolarHBondContact O-CD2 3.44Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 2.9Å; F14-Y18 WeakPolarHBondContact O-CA 3.16Å; F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 2.81Å |
| 15 | L | 68 | Low | 63.2 | Low | 105 Ų | 105 | 98.9 Ų | 98.9 | 55% | 0.55 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 177 | -172 | 69.4 | 0 | 0 | 0 | 110.6 | K11 L12 L13 Y18 F19 | K11-L15 WeakPolarHBondContact O-CA 3.16Å; K11-L15 WeakPolarHBondContact O-CB 3.5Å; K11-L15 PolarHBondContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 2.91Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L15-Y18 PolarHBondContact O-N 3.11Å; L15-F19 WeakPolarHBondContact O-CA 3.44Å; L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.45Å |
| 16 | G | 63.9 | Low | 64.1 | Low | 17 Ų | 17 | 96.1 Ų | 96.1 | 18% | 0.175 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L12 L13 Y18 F19 V20 | L12-G16 PolarHBondContact O-N 3.46Å; L13-G16 PolarHBondContact O-N 3.41Å; G16-Y18 PolarHBondContact O-N 3.47Å; G16-F19 PolarHBondContact O-N 2.99Å; G16-V20 WeakPolarHBondContact O-CG2 3.41Å; G16-V20 PolarHBondContact O-N 3.23Å |
| 17 | L | 68.2 | Low | 64.2 | Low | 104 Ų | 104 | 92.5 Ų | 92.5 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 175.5 | -72.9 | 171 | 0 | 0 | 0 | 112.6 | L13 V20 F21 | L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 VanDerWaalsContact O-CG 3.28Å; L13-L17 WeakPolarHBondContact O-CG 3.2Å; L13-L17 PolarHBondContact O-N 3.32Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.9Å; L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 PolarHBondContact O-N 3.29Å |
| 18 | Y | 67.1 | Low | 64.9 | Low | 154 Ų | 154 | 89.3 Ų | 89.3 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.6 | -36.7 | 177.1 | -175.7 | -110.4 | 0 | 0 | 0 | 110.7 | F14 L15 G16 F21 I22 | F14-Y18 WeakPolarHBondContact O-CA 3.16Å; F14-Y18 WeakPolarHBondContact O-CB 3.3Å; F14-Y18 PolarHBondContact O-N 2.81Å; L15-Y18 PolarHBondContact O-N 3.11Å; G16-Y18 PolarHBondContact O-N 3.47Å; Y18-F21 PolarHBondContact O-N 3.16Å; Y18-I22 HydrophobicContact CD1-CD1 3.54Å; Y18-I22 HydrophobicContact CD1-CG1 4.27Å; Y18-I22 HydrophobicContact CE1-CD1 3.15Å; Y18-I22 HydrophobicContact CE1-CG1 4.06Å; Y18-I22 HydrophobicContact CE2-CD1 4.41Å; Y18-I22 HydrophobicContact CG-CD1 4.32Å; Y18-I22 WeakPolarHBondContact O-CB 3.31Å; Y18-I22 VanDerWaalsContact O-CG1 3.28Å; Y18-I22 WeakPolarHBondContact O-CG1 3.29Å; Y18-I22 PolarHBondContact O-N 2.89Å |
| 19 | F | 67.3 | Low | 65.2 | Low | 90 Ų | 90 | 94.6 Ų | 94.6 | 40% | 0.395 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 171.5 | -163.6 | -98 | 0 | 0 | 0 | 109.9 | L15 G16 F21 I22 V23 V112 | L15-F19 WeakPolarHBondContact O-CA 3.44Å; L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.45Å; G16-F19 PolarHBondContact O-N 2.99Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.11Å; F19-I22 PolarHBondContact O-N 2.82Å; F19-V23 HydrophobicContact CD1-CG2 3.72Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CG-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.16Å; F19-V23 WeakPolarHBondContact O-CB 3.33Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 3.32Å; F19-V112 HydrophobicContact CE1-CG1 4.24Å |
| 20 | V | 65.5 | Low | 64.9 | Low | 30 Ų | 30 | 97.4 Ų | 97.4 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -56.1 | -44.8 | 170.2 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | G16 L17 V23 T24 Y116 | G16-V20 WeakPolarHBondContact O-CG2 3.41Å; G16-V20 PolarHBondContact O-N 3.23Å; L17-V20 WeakPolarHBondContact O-CB 3.4Å; L17-V20 PolarHBondContact O-N 2.9Å; V20-V23 PolarHBondContact O-N 3.28Å; V20-T24 WeakPolarHBondContact O-CA 3.39Å; V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 PolarHBondContact O-N 3.39Å; V20-T24 PolarHBondContact O-OG1 3.41Å; V20-Y116 HydrophobicContact CB-CE2 4.32Å; V20-Y116 HydrophobicContact CG2-CD1 4.46Å; V20-Y116 HydrophobicContact CG2-CD2 3.17Å; V20-Y116 HydrophobicContact CG2-CE1 4.19Å; V20-Y116 HydrophobicContact CG2-CE2 2.85Å; V20-Y116 HydrophobicContact CG2-CG 3.99Å |
| 21 | F | 69.3 | Low | 64.6 | Low | 138 Ų | 138 | 95.6 Ų | 95.6 | 61% | 0.605 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.8 | -41.2 | -179 | -135.9 | -98.5 | 0 | 0 | 0 | 111.2 | L17 Y18 F19 T24 K25 | L17-F21 WeakPolarHBondContact O-CB 3.44Å; L17-F21 PolarHBondContact O-N 3.29Å; Y18-F21 PolarHBondContact O-N 3.16Å; F19-F21 VanDerWaalsContact C-N 3.29Å; F19-F21 PolarHBondContact O-N 3.11Å; F21-T24 PolarHBondContact O-N 3.42Å; F21-K25 HydrophobicContact CD1-CG 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 WeakPolarHBondContact O-CG 3.36Å; F21-K25 PolarHBondContact O-N 3.08Å |
| 22 | I | 70.1 | Confident | 64.4 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 35% | 0.354 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 173.4 | -77.6 | 175.8 | 0 | 0 | 0 | 109.4 | Y18 F19 T24 K25 I26 | Y18-I22 HydrophobicContact CD1-CD1 3.54Å; Y18-I22 HydrophobicContact CD1-CG1 4.27Å; Y18-I22 HydrophobicContact CE1-CD1 3.15Å; Y18-I22 HydrophobicContact CE1-CG1 4.06Å; Y18-I22 HydrophobicContact CE2-CD1 4.41Å; Y18-I22 HydrophobicContact CG-CD1 4.32Å; Y18-I22 WeakPolarHBondContact O-CB 3.31Å; Y18-I22 VanDerWaalsContact O-CG1 3.28Å; Y18-I22 WeakPolarHBondContact O-CG1 3.29Å; Y18-I22 PolarHBondContact O-N 2.89Å; F19-I22 PolarHBondContact O-N 2.82Å; I22-T24 PolarHBondContact O-N 2.83Å; I22-K25 CarbonylContact O-C 3.58Å; I22-K25 PolarHBondContact O-N 3.15Å; I22-I26 WeakPolarHBondContact O-CA 3.04Å; I22-I26 VanDerWaalsContact O-CB 3.25Å; I22-I26 WeakPolarHBondContact O-CB 3.31Å; I22-I26 PolarHBondContact O-N 3.1Å |
| 23 | V | 64.1 | Low | 63.9 | Low | 29 Ų | 29 | 95.8 Ų | 95.8 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 180 | 161 | 0 | 0 | 0 | 0 | 111.1 | F19 V20 K25 I26 G27 V112 | F19-V23 HydrophobicContact CD1-CG2 3.72Å; F19-V23 HydrophobicContact CE1-CG2 3.61Å; F19-V23 HydrophobicContact CG-CG2 4.34Å; F19-V23 HydrophobicContact CZ-CG2 4.16Å; F19-V23 WeakPolarHBondContact O-CB 3.33Å; F19-V23 WeakPolarHBondContact O-CG2 3.39Å; F19-V23 PolarHBondContact O-N 3.32Å; V20-V23 PolarHBondContact O-N 3.28Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.13Å; V23-I26 PolarHBondContact O-N 3.26Å; V23-G27 WeakPolarHBondContact O-CA 3.3Å; V23-G27 PolarHBondContact O-N 2.98Å; V23-V112 HydrophobicContact CB-CG1 3.72Å; V23-V112 HydrophobicContact CG1-CB 4.15Å; V23-V112 HydrophobicContact CG1-CG1 3.15Å; V23-V112 HydrophobicContact CG2-CG1 3.18Å |
| 24 | T | 66.8 | Low | 62.7 | Low | 80 Ų | 80 | 95.4 Ų | 95.4 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | 177.7 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | V20 F21 I22 S28 | V20-T24 WeakPolarHBondContact O-CA 3.39Å; V20-T24 WeakPolarHBondContact O-CB 3.46Å; V20-T24 PolarHBondContact O-N 3.39Å; V20-T24 PolarHBondContact O-OG1 3.41Å; F21-T24 PolarHBondContact O-N 3.42Å; I22-T24 PolarHBondContact O-N 2.83Å; T24-S28 WeakPolarHBondContact O-CA 2.96Å; T24-S28 WeakPolarHBondContact O-CB 3.43Å; T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.28Å |
| 25 | K | 68.4 | Low | 61.5 | Low | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.526 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.9 | -39.2 | 174.5 | -76 | -76.4 | -175.7 | 175.6 | 0 | 112.8 | F21 I22 V23 S28 R29 | F21-K25 HydrophobicContact CD1-CG 4.13Å; F21-K25 HydrophobicContact CE1-CG 4.47Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 WeakPolarHBondContact O-CG 3.36Å; F21-K25 PolarHBondContact O-N 3.08Å; I22-K25 CarbonylContact O-C 3.58Å; I22-K25 PolarHBondContact O-N 3.15Å; V23-K25 VanDerWaalsContact C-N 3.3Å; V23-K25 PolarHBondContact O-N 3.13Å; K25-S28 PolarHBondContact O-N 3.04Å; K25-R29 WeakPolarHBondContact O-CB 3.37Å; K25-R29 WeakPolarHBondContact O-CG 3.13Å; K25-R29 PolarHBondContact O-N 2.92Å |
| 26 | I | 70.5 | Confident | 60.5 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.4 | -45.8 | 176.7 | -135.3 | 79.4 | 0 | 0 | 0 | 108.3 | I22 V23 S28 R29 Y30 | I22-I26 WeakPolarHBondContact O-CA 3.04Å; I22-I26 VanDerWaalsContact O-CB 3.25Å; I22-I26 WeakPolarHBondContact O-CB 3.31Å; I22-I26 PolarHBondContact O-N 3.1Å; V23-I26 PolarHBondContact O-N 3.26Å; I26-S28 PolarHBondContact O-N 2.9Å; I26-R29 CarbonylContact O-C 3.5Å; I26-R29 WeakPolarHBondContact O-CB 3.26Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.08Å; I26-Y30 HydrophobicContact CG1-CD2 4.49Å; I26-Y30 WeakPolarHBondContact O-CB 3.44Å; I26-Y30 WeakPolarHBondContact O-CD2 3.48Å; I26-Y30 PolarHBondContact O-N 3.42Å |
| 27 | G | 57.5 | Low | 59.7 | Low | 19 Ų | 19 | 94.7 Ų | 94.7 | 20% | 0.196 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V23 R29 Y30 F31 | V23-G27 WeakPolarHBondContact O-CA 3.3Å; V23-G27 PolarHBondContact O-N 2.98Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.99Å; G27-Y30 PolarHBondContact O-N 3.43Å; G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.27Å |
| 28 | S | 61.3 | Low | 58.2 | Low | 46 Ų | 46 | 93.7 Ų | 93.7 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -30 | 172.6 | -74.4 | 0 | 0 | 0 | 0 | 113.7 | T24 K25 I26 R32 | T24-S28 WeakPolarHBondContact O-CA 2.96Å; T24-S28 WeakPolarHBondContact O-CB 3.43Å; T24-S28 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-OG 3.28Å; K25-S28 PolarHBondContact O-N 3.04Å; I26-S28 PolarHBondContact O-N 2.9Å; S28-R32 WeakPolarHBondContact O-CB 3.08Å; S28-R32 PolarHBondContact O-N 3.47Å |
| 29 | R | 61.5 | Low | 56.5 | Low | 189 Ų | 189 | 95.1 Ų | 95.1 | 71% | 0.713 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.9 | -42.5 | 174.9 | -82 | -173.7 | 164.9 | -161.9 | -3.8 | 111.2 | K25 I26 G27 R32 A33 | K25-R29 WeakPolarHBondContact O-CB 3.37Å; K25-R29 WeakPolarHBondContact O-CG 3.13Å; K25-R29 PolarHBondContact O-N 2.92Å; I26-R29 CarbonylContact O-C 3.5Å; I26-R29 WeakPolarHBondContact O-CB 3.26Å; I26-R29 PolarHBondContact O-N 3.19Å; I26-R29 VanDerWaalsContact O-N 3.08Å; G27-R29 VanDerWaalsContact C-N 3.33Å; G27-R29 PolarHBondContact O-N 2.99Å; R29-R32 PolarHBondContact O-N 3.3Å; R29-A33 WeakPolarHBondContact O-CB 2.98Å; R29-A33 PolarHBondContact O-N 3.3Å |
| 30 | Y | 54 | Low | 55 | Low | 144 Ų | 144 | 96.6 Ų | 96.6 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -41.5 | 172.7 | -95 | -88.5 | 0 | 0 | 0 | 111.6 | I26 G27 A33 A34 | I26-Y30 HydrophobicContact CG1-CD2 4.49Å; I26-Y30 WeakPolarHBondContact O-CB 3.44Å; I26-Y30 WeakPolarHBondContact O-CD2 3.48Å; I26-Y30 PolarHBondContact O-N 3.42Å; G27-Y30 PolarHBondContact O-N 3.43Å; Y30-A33 PolarHBondContact O-N 3.38Å; Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 3.44Å |
| 31 | F | 54 | Low | 53.2 | Low | 140 Ų | 140 | 103 Ų | 103 | 61% | 0.614 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 175.1 | -171.3 | -98.2 | 0 | 0 | 0 | 111.6 | G27 A34 S35 | G27-F31 WeakPolarHBondContact O-CB 3.3Å; G27-F31 PolarHBondContact O-N 3.27Å; F31-A34 PolarHBondContact O-N 2.86Å; F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 3.2Å |
| 32 | R | 56.1 | Low | 51.5 | Low | 173 Ų | 173 | 104.7 Ų | 104.7 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 171.9 | -101.1 | -178.4 | -80.8 | -146 | -8.7 | 113.2 | S28 R29 S35 S36 | S28-R32 WeakPolarHBondContact O-CB 3.08Å; S28-R32 PolarHBondContact O-N 3.47Å; R29-R32 PolarHBondContact O-N 3.3Å; R32-S35 PolarHBondContact O-N 3.37Å; R32-S36 PolarHBondContact O-N 2.98Å |
| 33 | A | 53.2 | Low | 49.7 | Very low | 67 Ų | 67 | 109.9 Ų | 109.9 | 55% | 0.554 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R29 Y30 S36 | R29-A33 WeakPolarHBondContact O-CB 2.98Å; R29-A33 PolarHBondContact O-N 3.3Å; Y30-A33 PolarHBondContact O-N 3.38Å; A33-S36 PolarHBondContact O-N 3.49Å |
| 34 | A | 42.4 | Very low | 48.1 | Very low | 60 Ų | 60 | 116 Ų | 116 | 50% | 0.496 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y30 F31 S36 S37 | Y30-A34 VanDerWaalsContact O-CB 3.27Å; Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 3.44Å; F31-A34 PolarHBondContact O-N 2.86Å; A34-S36 PolarHBondContact O-N 2.87Å; A34-S37 WeakPolarHBondContact O-CB 3.36Å; A34-S37 PolarHBondContact O-N 2.84Å; A34-S37 VanDerWaalsContact O-N 3.09Å |
| 35 | S | 42.6 | Very low | 46.4 | Very low | 72 Ų | 72 | 118 Ų | 118 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -28.2 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 113.1 | F31 R32 S37 S38 | F31-S35 VanDerWaalsContact O-CB 3.29Å; F31-S35 WeakPolarHBondContact O-CB 3.41Å; F31-S35 PolarHBondContact O-N 3.2Å; R32-S35 PolarHBondContact O-N 3.37Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.08Å; S35-S38 PolarHBondContact O-N 2.96Å |
| 36 | S | 47.7 | Very low | 44.6 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.6 | -30.6 | 175.6 | -163 | 0 | 0 | 0 | 0 | 112.1 | R32 A33 A34 | R32-S36 PolarHBondContact O-N 2.98Å; A33-S36 PolarHBondContact O-N 3.49Å; A34-S36 PolarHBondContact O-N 2.87Å |
| 37 | S | 46.6 | Very low | 42.4 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.4 | -29.7 | 178.7 | -163.5 | 0 | 0 | 0 | 0 | 112.3 | A34 S35 K39 N40 | A34-S37 WeakPolarHBondContact O-CB 3.36Å; A34-S37 PolarHBondContact O-N 2.84Å; A34-S37 VanDerWaalsContact O-N 3.09Å; S35-S37 VanDerWaalsContact C-N 3.3Å; S35-S37 PolarHBondContact O-N 3.08Å; S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 2.63Å; S37-N40 PolarHBondContact O-N 3.08Å; S37-N40 VanDerWaalsContact O-N 3.13Å |
| 38 | S | 36.6 | Very low | 41.1 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.4 | -27.5 | -176.5 | -162.1 | 0 | 0 | 0 | 0 | 114.3 | S35 N40 Y41 | S35-S38 PolarHBondContact O-N 2.96Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.98Å; S38-Y41 PolarHBondContact O-N 2.94Å |
| 39 | K | 31.4 | Very low | 39.4 | Very low | 185 Ų | 185 | 130 Ų | 130 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.7 | -18.1 | 178.2 | -85.7 | -172.3 | 177.1 | -177.7 | 0 | 113.9 | S37 | S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact O-N 2.63Å |
| 40 | N | 34.9 | Very low | 37.8 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 64% | 0.642 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -89.7 | -17.4 | 176.1 | -83.5 | -45.8 | 0 | 0 | 0 | 113 | S37 S38 K43 | S37-N40 PolarHBondContact O-N 3.08Å; S37-N40 VanDerWaalsContact O-N 3.13Å; S38-N40 VanDerWaalsContact C-N 3.29Å; S38-N40 PolarHBondContact O-N 2.98Å; N40-K43 PolarHBondContact O-N 2.75Å |
| 41 | Y | 27.6 | Very low | 36.4 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 65% | 0.651 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.5 | -27.2 | -176.9 | -156.2 | -100.5 | 0 | 0 | 0 | 113.2 | S38 K43 H44 L45 | S38-Y41 PolarHBondContact O-N 2.94Å; Y41-K43 PolarHBondContact O-N 2.79Å; Y41-H44 PolarHBondContact O-N 3.04Å; Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CE1-CD1 4.06Å |
| 42 | E | 34.5 | Very low | 35.1 | Very low | 173 Ų | 173 | 129 Ų | 129 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -18.5 | 177.5 | -152.9 | 172.3 | 116.9 | 0 | 0 | 112.7 | ||
| 43 | K | 32.5 | Very low | 33.4 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 77% | 0.774 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -11.5 | 178.2 | -71.7 | -172.5 | 178.9 | -179.6 | 0 | 114.9 | N40 Y41 | N40-K43 PolarHBondContact O-N 2.75Å; Y41-K43 PolarHBondContact O-N 2.79Å |
| 44 | H | 30.6 | Very low | 32.1 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -112.5 | 10 | -172.1 | -141 | -74.8 | 0 | 0 | 0 | 114.7 | Y41 L46 | Y41-H44 PolarHBondContact O-N 3.04Å; H44-L46 VanDerWaalsContact C-N 3.32Å |
| 45 | L | 31.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -83 | -0.3 | 178 | -101.3 | 147.1 | 0 | 0 | 0 | 114.6 | Y41 | Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CE1-CD1 4.06Å | ||
| 46 | L | 30.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -102.2 | 78.9 | 167.4 | -81.1 | 125.5 | 0 | 0 | 0 | 109.6 | H44 | H44-L46 VanDerWaalsContact C-N 3.32Š|
| 47 | N | 24 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 173.1 | 75.9 | 146.1 | -88.3 | -8.6 | 0 | 0 | 0 | 110.2 | T49 | N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.46Å; N47-T49 VanDerWaalsContact O-N 3.17Å | ||
| 48 | P | 30.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -84.5 | 80.1 | 170.2 | 34.9 | -28.4 | 0 | 0 | 0 | 109 | ||||
| 49 | T | 25.6 | Very low | 27.8 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | -139.6 | 74.2 | 167.8 | -38.5 | 0 | 0 | 0 | 0 | 109.5 | N47 T51 | N47-T49 VanDerWaalsContact C-N 3.34Å; N47-T49 PolarHBondContact O-N 3.46Å; N47-T49 VanDerWaalsContact O-N 3.17Å; T49-T51 HydrophobicContact CG2-CG2 4.08Å | ||
| 50 | V | 27.1 | Very low | 27.5 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -101.7 | 85.3 | 159.9 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | F52 | V50-F52 PolarHBondContact O-N 3.5Š| ||
| 51 | T | 25.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -70.9 | 105.3 | 161.1 | 45.3 | 0 | 0 | 0 | 0 | 107.3 | T49 | T49-T51 HydrophobicContact CG2-CG2 4.08Š| ||
| 52 | F | 26.2 | Very low | 27.1 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -96 | 106.8 | 164.3 | -166.6 | -100.6 | 0 | 0 | 0 | 107.7 | V50 S54 | V50-F52 PolarHBondContact O-N 3.5Å; F52-S54 PolarHBondContact O-N 3.1Å | ||
| 53 | D | 21.3 | Very low | 26.9 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 68% | 0.679 | 78% | 0.783 | S | S | * | * | trans | -57.2 | 128.1 | -177.4 | -165.3 | 1.7 | 0 | 0 | 0 | 110.7 | ||||
| 54 | S | 25.2 | Very low | 27 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -101.2 | 83.9 | -175.1 | -61.8 | 0 | 0 | 0 | 0 | 107.9 | F52 | F52-S54 PolarHBondContact O-N 3.1Š| ||
| 55 | S | 25.3 | Very low | 27.2 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 60% | 0.601 | 79% | 0.792 | S | S | * | * | trans | -142.7 | 61.3 | 176.9 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 56 | V | 28.2 | Very low | 27.7 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 92% | 0.915 | 80% | 0.8 | S | S | * | * | trans | -142.7 | 81.5 | 155.4 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 57 | D | 24.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -117.9 | 130.9 | 157.1 | -148.2 | 3.2 | 0 | 0 | 0 | 107.6 | ||||
| 58 | Q | 26.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 67.1 | 87.4 | 163.5 | -46.2 | -165.7 | 10.5 | 0 | 0 | 119.2 | ||
| 59 | N | 22.6 | Very low | 30.2 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | 176.4 | 140 | 123.2 | -102.6 | -25.6 | 0 | 0 | 0 | 112.3 | |||||
| 60 | G | 24.1 | Very low | 30.9 | Very low | 72 Ų | 72 | 154.5 Ų | 154.5 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | 109.5 | 96.1 | 147 | 0 | 0 | 0 | 0 | 0 | 116.5 | R62 | G60-R62 PolarHBondContact O-N 2.78Š| ||
| 61 | E | 28.6 | Very low | 32 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -48.1 | 112.1 | 153.4 | -57.7 | 177.3 | 125 | 0 | 0 | 111.7 | ||||
| 62 | R | 25.3 | Very low | 33 | Very low | 252 Ų | 252 | 152.8 Ų | 152.8 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | 178.5 | 112.5 | 140.1 | -114.8 | 170.4 | 172.9 | 159.4 | -0.4 | 112.6 | G60 | G60-R62 PolarHBondContact O-N 2.78Š| ||
| 63 | G | 29.9 | Very low | 34.6 | Very low | 80 Ų | 80 | 151.2 Ų | 151.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 65.4 | 96.4 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 64 | S | 35.1 | Very low | 35.9 | Very low | 100 Ų | 100 | 152.5 Ų | 152.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -157.1 | 88.1 | 136.1 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | M66 | S64-M66 PolarHBondContact O-N 3.49Š| ||
| 65 | W | 34.2 | Very low | 37.6 | Very low | 259 Ų | 259 | 151.5 Ų | 151.5 | 98% | 0.981 | 79% | 0.793 | S | S | * | * | trans | -80 | 43.4 | -179.6 | -164.4 | 38.8 | 0 | 0 | 0 | 112.1 | ||||
| 66 | M | 42.1 | Very low | 39.1 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -147.5 | 43 | -174.4 | -71.6 | -177.1 | 70.3 | 0 | 0 | 115.2 | S64 | S64-M66 PolarHBondContact O-N 3.49Š| ||
| 67 | N | 41.7 | Very low | 40.4 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -138.6 | 80.3 | 164.5 | -79.6 | -49.3 | 0 | 0 | 0 | 111.4 | K69 | N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.05Å | ||
| 68 | R | 46.6 | Very low | 41.7 | Very low | 235 Ų | 235 | 151.4 Ų | 151.4 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -68.1 | 86.1 | 166.7 | -80.3 | -178.3 | 163 | 174.2 | -4.4 | 109.5 | L70 | R68-L70 PolarHBondContact O-N 2.84Š| ||
| 69 | K | 48.5 | Very low | 42.9 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -73.9 | 80.4 | 160.9 | -97.8 | -178.6 | 174.4 | 179.3 | 0 | 108.7 | N67 | N67-K69 VanDerWaalsContact C-N 3.29Å; N67-K69 PolarHBondContact O-N 2.05Å | ||
| 70 | L | 41.4 | Very low | 44.7 | Very low | 147 Ų | 147 | 149 Ų | 149 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 122.5 | 166.7 | -90.1 | 162.4 | 0 | 0 | 0 | 108.3 | R68 | R68-L70 PolarHBondContact O-N 2.84Š|
| 71 | L | 49 | Very low | 46.2 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.4 | 34.2 | 175.6 | -53.5 | 173.6 | 0 | 0 | 0 | 117.9 | ||
| 72 | G | 46.9 | Very low | 47.4 | Very low | 50 Ų | 50 | 146.8 Ų | 146.8 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | trans | -96.1 | 90.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q74 | G72-Q74 VanDerWaalsContact C-N 3.3Å; G72-Q74 PolarHBondContact O-N 3.08Å | ||
| 73 | I | 60.4 | Low | 49 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | trans | -67.6 | 99.6 | 163.8 | -159.1 | 152.2 | 0 | 0 | 0 | 106.3 | V75 | I73-V75 VanDerWaalsContact C-N 3.29Å; I73-V75 HydrophobicContact CG2-CG2 4.37Å; I73-V75 PolarHBondContact O-N 3.46Å | ||
| 74 | Q | 49.1 | Very low | 50.8 | Low | 155 Ų | 155 | 142.9 Ų | 142.9 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -70 | 98.7 | 166.8 | -73.3 | -71.3 | -84.2 | 0 | 0 | 105 | G72 V76 | G72-Q74 VanDerWaalsContact C-N 3.3Å; G72-Q74 PolarHBondContact O-N 3.08Å; Q74-V76 PolarHBondContact O-N 3.43Å | ||
| 75 | V | 61 | Low | 52.3 | Low | 96 Ų | 96 | 144.1 Ų | 144.1 | 58% | 0.582 | 74% | 0.74 | S | S | * | * | trans | -65.8 | 85.6 | 162.6 | -177.5 | 0 | 0 | 0 | 0 | 105.1 | I73 R77 | I73-V75 VanDerWaalsContact C-N 3.29Å; I73-V75 HydrophobicContact CG2-CG2 4.37Å; I73-V75 PolarHBondContact O-N 3.46Å; V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.23Å | ||
| 76 | V | 55.4 | Low | 53.9 | Low | 115 Ų | 115 | 136.6 Ų | 136.6 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | -58.5 | 103.5 | 166.8 | 174.4 | 0 | 0 | 0 | 0 | 104.3 | Q74 P78 | Q74-V76 PolarHBondContact O-N 3.43Å; V76-P78 VanDerWaalsContact O-CD 3.29Å; V76-P78 WeakPolarHBondContact O-CD 3.29Å; V76-P78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | R | 55.7 | Low | 55 | Low | 203 Ų | 203 | 133.4 Ų | 133.4 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | trans | -62.5 | 115.2 | 165.8 | -68.8 | -142.5 | -169.2 | -118.9 | 4.8 | 104.7 | V75 H79 | V75-R77 VanDerWaalsContact C-N 3.31Å; V75-R77 PolarHBondContact O-N 3.23Å; R77-H79 PolarHBondContact O-N 2.88Å | ||
| 78 | P | 52.1 | Low | 56.3 | Low | 58 Ų | 58 | 128.7 Ų | 128.7 | 38% | 0.377 | 69% | 0.691 | S | S | . | * | trans | -60 | 142.4 | -176.4 | 25.9 | -32.5 | 0 | 0 | 0 | 108.1 | V76 L82 C84 | V76-P78 VanDerWaalsContact O-CD 3.29Å; V76-P78 WeakPolarHBondContact O-CD 3.29Å; V76-P78 VanDerWaalsContact O-N 3.11Å; P78-L82 HydrophobicContact CB-CB 4.17Å; P78-C84 HydrophobicContact CB-CB 4.26Å; P78-C84 WeakPolarHBondContact CB-SG 3.26Å; P78-C84 HydrophobicContact CG-CB 3.71Å; P78-C84 WeakPolarHBondContact CG-SG 3.39Å | ||
| 79 | H | 52 | Low | 57.4 | Low | 144 Ų | 144 | 123.6 Ų | 123.6 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | trans | -49.6 | 143.4 | 172.1 | -97.3 | -89 | 0 | 0 | 0 | 109.4 | R77 S81 L82 | R77-H79 PolarHBondContact O-N 2.88Å; H79-S81 PolarHBondContact O-N 3.32Å; H79-L82 PolarHBondContact O-N 2.97Å | ||
| 80 | P | 59.7 | Low | 58.2 | Low | 136 Ų | 136 | 120.6 Ų | 120.6 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -6.3 | -173.3 | 19.4 | -30.9 | 0 | 0 | 0 | 115.2 | ||
| 81 | S | 56.4 | Low | 59.6 | Low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -7.6 | 174.2 | 53.8 | 0 | 0 | 0 | 0 | 115 | H79 | H79-S81 PolarHBondContact O-N 3.32Š|
| 82 | L | 53.7 | Low | 60.7 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -100.6 | 106 | 176.2 | -75.6 | 154.5 | 0 | 0 | 0 | 108.9 | P78 H79 C84 | P78-L82 HydrophobicContact CB-CB 4.17Å; H79-L82 PolarHBondContact O-N 2.97Å; L82-C84 PolarHBondContact O-N 3.2Å |
| 83 | N | 58.8 | Low | 61.9 | Low | 178 Ų | 178 | 114.2 Ų | 114.2 | 95% | 0.952 | 63% | 0.625 | S | S | * | * | trans | -63.5 | 78 | 169.5 | -108.4 | -18.4 | 0 | 0 | 0 | 109.3 | ||||
| 84 | C | 66.4 | Low | 62.4 | Low | 72 Ų | 72 | 118.4 Ų | 118.4 | 49% | 0.486 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 146.1 | 172.9 | -69.2 | 0 | 0 | 0 | 0 | 109.9 | P78 L82 | P78-C84 HydrophobicContact CB-CB 4.26Å; P78-C84 WeakPolarHBondContact CB-SG 3.26Å; P78-C84 HydrophobicContact CG-CB 3.71Å; P78-C84 WeakPolarHBondContact CG-SG 3.39Å; L82-C84 PolarHBondContact O-N 3.2Å |
| 85 | T | 68.2 | Low | 63.7 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -58 | 130.2 | 170.7 | 46.4 | 0 | 0 | 0 | 0 | 108.9 | L87 | T85-L87 PolarHBondContact O-N 3.14Š|
| 86 | P | 67.3 | Low | 64.4 | Low | 102 Ų | 102 | 117.1 Ų | 117.1 | 66% | 0.662 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 141.6 | 178.6 | 25.3 | -33.4 | 0 | 0 | 0 | 109.7 | A88 | P86-A88 PolarHBondContact O-N 3.39Š|
| 87 | L | 65.6 | Low | 65.3 | Low | 98 Ų | 98 | 113.5 Ų | 113.5 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 131.9 | 178.5 | -66.3 | 110.8 | 0 | 0 | 0 | 109.4 | T85 I89 E90 | T85-L87 PolarHBondContact O-N 3.14Å; L87-I89 HydrophobicContact CB-CG2 3.96Å; L87-I89 PolarHBondContact O-N 3.19Å; L87-E90 PolarHBondContact O-N 3.18Å |
| 88 | A | 67.9 | Low | 66.4 | Low | 46 Ų | 46 | 107.6 Ų | 107.6 | 38% | 0.38 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -54.6 | -22.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P86 E90 N91 F92 | P86-A88 PolarHBondContact O-N 3.39Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.99Å; A88-N91 PolarHBondContact O-N 3.21Å; A88-F92 WeakPolarHBondContact O-CD2 3.37Å |
| 89 | I | 69 | Low | 67.6 | Low | 128 Ų | 128 | 111.1 Ų | 111.1 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -65.9 | -27.2 | 176.7 | -162.3 | 166.4 | 0 | 0 | 0 | 113.3 | L87 N91 | L87-I89 HydrophobicContact CB-CG2 3.96Å; L87-I89 PolarHBondContact O-N 3.19Å; I89-N91 PolarHBondContact O-N 2.91Å |
| 90 | E | 66.6 | Low | 68.9 | Low | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.7 | -178.7 | -62.4 | -163.7 | 162.9 | 0 | 0 | 112.9 | L87 A88 | L87-E90 PolarHBondContact O-N 3.18Å; A88-E90 VanDerWaalsContact C-N 3.27Å; A88-E90 PolarHBondContact O-N 2.99Å |
| 91 | N | 70.1 | Confident | 69.8 | Low | 62 Ų | 62 | 104.9 Ų | 104.9 | 33% | 0.332 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -86.4 | -15.3 | 179.8 | -63.4 | -42.8 | 0 | 0 | 0 | 113.5 | A88 I89 A171 D173 | A88-N91 PolarHBondContact O-N 3.21Å; I89-N91 PolarHBondContact O-N 2.91Å; N91-A171 WeakPolarHBondContact CB-O 3.39Å; N91-A171 WeakPolarHBondContact O-CA 3.47Å; N91-D173 VanDerWaalsContact CB-OD2 3.28Å; N91-D173 WeakPolarHBondContact CB-OD2 3.47Å; N91-D173 PolarHBondContact ND2-OD1 3.26Å; N91-D173 PolarHBondContact ND2-OD2 3.38Å |
| 92 | F | 72.2 | Confident | 70.9 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 41% | 0.412 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -71.3 | 149.4 | 174.3 | -73.1 | -84 | 0 | 0 | 0 | 111 | A88 A171 I175 | A88-F92 WeakPolarHBondContact O-CD2 3.37Å; F92-A171 HydrophobicContact CD1-CB 4.11Å; F92-A171 HydrophobicContact CE1-CB 3.88Å; F92-A171 HydrophobicContact CE2-CB 4.39Å; F92-A171 HydrophobicContact CG-CB 4.47Å; F92-A171 HydrophobicContact CZ-CB 4.03Å; F92-I175 HydrophobicContact CZ-CD1 4.34Å; F92-I175 HydrophobicContact CZ-CG2 4.05Å |
| 93 | P | 72.9 | Confident | 72 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 147.3 | -179.5 | 31.2 | -33.7 | 0 | 0 | 0 | 109.3 | D95 I170 | P93-D95 PolarHBondContact O-N 2.53Å; P93-I170 HydrophobicContact CB-CG2 3.82Å; P93-I170 VanDerWaalsContact CD-CG2 3.48Å; P93-I170 HydrophobicContact CG-CG2 3.65Å |
| 94 | R | 70.8 | Confident | 73.3 | Confident | 244 Ų | 244 | 107.4 Ų | 107.4 | 92% | 0.921 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 123.8 | -178.7 | -64.1 | -170 | -179.5 | -154.8 | -0.1 | 110 | ||
| 95 | D | 75.9 | Confident | 74 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.9 | 172.4 | -87.2 | -23.6 | 0 | 0 | 0 | 110.5 | P93 F97 R102 | P93-D95 PolarHBondContact O-N 2.53Å; D95-F97 PolarHBondContact O-N 2.7Å; D95-R102 IonicContact OD2-CZ 3.21Å; D95-R102 IonicContact OD2-NE 3.12Å; D95-R102 PolarHBondContact OD2-NE 2.95Å; D95-R102 VanDerWaalsContact OD2-NE 3.12Å; D95-R102 IonicContact OD2-NH2 2.73Å; D95-R102 PolarHBondContact OD2-NH2 3.03Å |
| 96 | I | 75.7 | Confident | 74.7 | Confident | 147 Ų | 147 | 99.7 Ų | 99.7 | 75% | 0.754 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -63.5 | -18.2 | 174.4 | 59.5 | 172.7 | 0 | 0 | 0 | 112.8 | ||
| 97 | F | 75.2 | Confident | 75.6 | Confident | 39 Ų | 39 | 98.6 Ų | 98.6 | 17% | 0.171 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -105.3 | 132.6 | 178.5 | -60.9 | -69.7 | 0 | 0 | 0 | 110.9 | D95 Q101 R102 A106 I109 H110 | D95-F97 PolarHBondContact O-N 2.7Å; F97-Q101 HydrophobicContact CB-CB 4.36Å; F97-R102 HydrophobicContact CB-CG 4.37Å; F97-A106 HydrophobicContact CB-CB 4.28Å; F97-A106 HydrophobicContact CD1-CB 4.11Å; F97-A106 HydrophobicContact CD2-CB 4.33Å; F97-A106 HydrophobicContact CG-CB 3.98Å; F97-I109 HydrophobicContact CZ-CD1 4.16Å; F97-H110 AromaticContact CD2-NE2 3.33Å; F97-H110 VanDerWaalsContact CD2-NE2 3.33Å; F97-H110 WeakPolarHBondContact CD2-NE2 3.36Å; F97-H110 AromaticContact CE2-NE2 3.84Å |
| 98 | T | 78.2 | Confident | 76.7 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | trans | -69.8 | 156.5 | 174.8 | 57 | 0 | 0 | 0 | 0 | 111.1 | S100 Q101 R102 | T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.86Å; T98-Q101 WeakPolarHBondContact O-CA 3.25Å; T98-Q101 WeakPolarHBondContact O-CB 3.4Å; T98-Q101 PolarHBondContact O-N 3.07Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q101 PolarHBondContact OG1-OE1 3.25Å; T98-R102 PolarHBondContact O-N 3.31Å | ||
| 99 | Q | 77.2 | Confident | 77.6 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.5 | -33.8 | -179 | -71 | -69.7 | 6.2 | 0 | 0 | 112.8 | R102 Q103 | Q99-R102 PolarHBondContact O-N 2.88Å; Q99-Q103 WeakPolarHBondContact O-CG 3.27Å; Q99-Q103 PolarHBondContact O-N 3.05Å |
| 100 | S | 78.3 | Confident | 78.4 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | T98 R102 Q103 Y104 | T98-S100 PolarHBondContact O-N 3.46Å; T98-S100 PolarHBondContact OG1-OG 2.86Å; S100-R102 VanDerWaalsContact C-N 3.33Å; S100-R102 PolarHBondContact O-N 3.32Å; S100-Q103 WeakPolarHBondContact O-CB 3.45Å; S100-Q103 PolarHBondContact O-N 3.28Å; S100-Y104 WeakPolarHBondContact O-CD2 3.44Å; S100-Y104 PolarHBondContact O-N 3.31Å; S100-Y104 VanDerWaalsContact O-N 3.15Å |
| 101 | Q | 80.2 | Confident | 79.5 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 176.9 | -70.5 | 176.3 | -36.3 | 0 | 0 | 113 | F97 T98 Q103 Y104 G105 A106 | F97-Q101 HydrophobicContact CB-CB 4.36Å; T98-Q101 WeakPolarHBondContact O-CA 3.25Å; T98-Q101 WeakPolarHBondContact O-CB 3.4Å; T98-Q101 PolarHBondContact O-N 3.07Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.46Å; T98-Q101 PolarHBondContact OG1-OE1 3.25Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q101-Y104 PolarHBondContact O-N 2.83Å; Q101-G105 PolarHBondContact O-N 3.18Å; Q101-A106 HydrophobicContact CB-CB 4.43Å; Q101-A106 VanDerWaalsContact O-CB 3.23Å; Q101-A106 WeakPolarHBondContact O-CB 3.41Å; Q101-A106 PolarHBondContact O-N 3.13Å; Q101-A106 VanDerWaalsContact O-N 3.1Å |
| 102 | R | 78.4 | Confident | 80.4 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 32% | 0.317 | 46% | 0.459 | S | S | . | . | I | π-helix | trans | -60.7 | -42.6 | 172.9 | -75.3 | 170.9 | 130.3 | -129.8 | 5.6 | 111.6 | D95 F97 T98 Q99 S100 Y104 G105 V107 | D95-R102 IonicContact OD2-CZ 3.21Å; D95-R102 IonicContact OD2-NE 3.12Å; D95-R102 PolarHBondContact OD2-NE 2.95Å; D95-R102 VanDerWaalsContact OD2-NE 3.12Å; D95-R102 IonicContact OD2-NH2 2.73Å; D95-R102 PolarHBondContact OD2-NH2 3.03Å; F97-R102 HydrophobicContact CB-CG 4.37Å; T98-R102 PolarHBondContact O-N 3.31Å; Q99-R102 PolarHBondContact O-N 2.88Å; S100-R102 VanDerWaalsContact C-N 3.33Å; S100-R102 PolarHBondContact O-N 3.32Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.34Å; R102-G105 PolarHBondContact O-N 3.35Å; R102-G105 VanDerWaalsContact O-N 3.17Å; R102-V107 HydrophobicContact CB-CG2 4.11Å; R102-V107 HydrophobicContact CG-CG2 4.46Å |
| 103 | Q | 78.3 | Confident | 81.3 | Confident | 165 Ų | 165 | 92.4 Ų | 92.4 | 77% | 0.771 | 46% | 0.461 | S | S | * | . | I | π-helix | trans | -64.5 | -34.3 | 176.3 | -69.7 | 176.1 | -25.8 | 0 | 0 | 112.8 | Q99 S100 Q101 G105 | Q99-Q103 WeakPolarHBondContact O-CG 3.27Å; Q99-Q103 PolarHBondContact O-N 3.05Å; S100-Q103 WeakPolarHBondContact O-CB 3.45Å; S100-Q103 PolarHBondContact O-N 3.28Å; Q101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-G105 PolarHBondContact O-N 3.39Å |
| 104 | Y | 84.1 | Confident | 82 | Confident | 203 Ų | 203 | 92.2 Ų | 92.2 | 80% | 0.796 | 46% | 0.462 | S | S | * | . | I | π-helix | trans | -79.9 | 9.9 | 175.5 | -68.8 | -69.1 | 0 | 0 | 0 | 114.5 | S100 Q101 R102 | S100-Y104 WeakPolarHBondContact O-CD2 3.44Å; S100-Y104 PolarHBondContact O-N 3.31Å; S100-Y104 VanDerWaalsContact O-N 3.15Å; Q101-Y104 PolarHBondContact O-N 2.83Å; R102-Y104 VanDerWaalsContact C-N 3.32Å; R102-Y104 PolarHBondContact O-N 3.34Å |
| 105 | G | 81.6 | Confident | 83 | Confident | 26 Ų | 26 | 84 Ų | 84 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | I | π-helix | trans | 109.4 | 5.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q101 R102 Q103 V107 I108 | Q101-G105 PolarHBondContact O-N 3.18Å; R102-G105 PolarHBondContact O-N 3.35Å; R102-G105 VanDerWaalsContact O-N 3.17Å; Q103-G105 PolarHBondContact O-N 3.39Å; G105-V107 PolarHBondContact O-N 3.2Å; G105-V107 VanDerWaalsContact O-N 3.1Å; G105-I108 WeakPolarHBondContact O-CB 3.26Å; G105-I108 PolarHBondContact O-N 2.98Å |
| 106 | A | 83.9 | Confident | 83.6 | Confident | 10 Ų | 10 | 85 Ų | 85 | 8% | 0.083 | 43% | 0.434 | C | S | . | . | I | π-helix | trans | -61.4 | -19.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F97 Q101 I108 I109 H110 | F97-A106 HydrophobicContact CB-CB 4.28Å; F97-A106 HydrophobicContact CD1-CB 4.11Å; F97-A106 HydrophobicContact CD2-CB 4.33Å; F97-A106 HydrophobicContact CG-CB 3.98Å; Q101-A106 HydrophobicContact CB-CB 4.43Å; Q101-A106 VanDerWaalsContact O-CB 3.23Å; Q101-A106 WeakPolarHBondContact O-CB 3.41Å; Q101-A106 PolarHBondContact O-N 3.13Å; Q101-A106 VanDerWaalsContact O-N 3.1Å; A106-I108 PolarHBondContact O-N 3.12Å; A106-I109 WeakPolarHBondContact O-CB 3.17Å; A106-I109 PolarHBondContact O-N 3.02Å; A106-H110 PolarHBondContact O-N 2.66Å |
| 107 | V | 86.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 83.3 Ų | 83.3 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.1 | -33.9 | 172 | 178.9 | 0 | 0 | 0 | 0 | 112 | R102 G105 I109 H110 L111 | R102-V107 HydrophobicContact CB-CG2 4.11Å; R102-V107 HydrophobicContact CG-CG2 4.46Å; G105-V107 PolarHBondContact O-N 3.2Å; G105-V107 VanDerWaalsContact O-N 3.1Å; V107-I109 PolarHBondContact O-N 3.19Å; V107-H110 PolarHBondContact O-N 2.93Å; V107-L111 PolarHBondContact O-N 3.4Å |
| 108 | I | 87.5 | Confident | 84.9 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 177.2 | -60.3 | 173.7 | 0 | 0 | 0 | 110 | G105 A106 L111 V112 | G105-I108 WeakPolarHBondContact O-CB 3.26Å; G105-I108 PolarHBondContact O-N 2.98Å; A106-I108 PolarHBondContact O-N 3.12Å; I108-L111 PolarHBondContact O-N 2.93Å; I108-V112 HydrophobicContact CG2-CG2 4.16Å; I108-V112 WeakPolarHBondContact O-CB 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.48Å; I108-V112 PolarHBondContact O-N 2.96Å |
| 109 | I | 87 | Confident | 85.4 | Confident | 57 Ų | 57 | 88.3 Ų | 88.3 | 29% | 0.292 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 178.6 | -59.5 | 173.2 | 0 | 0 | 0 | 110.1 | F97 A106 V107 L111 V112 V113 | F97-I109 HydrophobicContact CZ-CD1 4.16Å; A106-I109 WeakPolarHBondContact O-CB 3.17Å; A106-I109 PolarHBondContact O-N 3.02Å; V107-I109 PolarHBondContact O-N 3.19Å; I109-L111 PolarHBondContact O-N 3.21Å; I109-V112 PolarHBondContact O-N 3.49Å; I109-V113 HydrophobicContact CG2-CG2 4.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.38Å |
| 110 | H | 86.4 | Confident | 85.9 | Confident | 65 Ų | 65 | 83.6 Ų | 83.6 | 30% | 0.301 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.1 | -73.6 | -79.2 | 0 | 0 | 0 | 112.5 | F97 A106 V107 V112 V113 S114 | F97-H110 AromaticContact CD2-NE2 3.33Å; F97-H110 VanDerWaalsContact CD2-NE2 3.33Å; F97-H110 WeakPolarHBondContact CD2-NE2 3.36Å; F97-H110 AromaticContact CE2-NE2 3.84Å; A106-H110 PolarHBondContact O-N 2.66Å; V107-H110 PolarHBondContact O-N 2.93Å; H110-V112 VanDerWaalsContact C-N 3.3Å; H110-V112 PolarHBondContact O-N 3.37Å; H110-V113 PolarHBondContact O-N 2.84Å; H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 2.98Å |
| 111 | L | 89.2 | Confident | 86.2 | Confident | 104 Ų | 104 | 84.7 Ų | 84.7 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.6 | -46 | 178.6 | 178.4 | 62.7 | 0 | 0 | 0 | 110.9 | V107 I108 I109 S114 I115 | V107-L111 PolarHBondContact O-N 3.4Å; I108-L111 PolarHBondContact O-N 2.93Å; I109-L111 PolarHBondContact O-N 3.21Å; L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.01Å; L111-I115 HydrophobicContact CD1-CD1 4.03Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.92Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.19Å; L111-I115 PolarHBondContact O-N 3.23Å |
| 112 | V | 89.6 | Confident | 86.6 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 14% | 0.139 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.4 | -39.6 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | F19 V23 I108 I109 H110 S114 I115 Y116 | F19-V112 HydrophobicContact CE1-CG1 4.24Å; V23-V112 HydrophobicContact CB-CG1 3.72Å; V23-V112 HydrophobicContact CG1-CB 4.15Å; V23-V112 HydrophobicContact CG1-CG1 3.15Å; V23-V112 HydrophobicContact CG2-CG1 3.18Å; I108-V112 HydrophobicContact CG2-CG2 4.16Å; I108-V112 WeakPolarHBondContact O-CB 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.48Å; I108-V112 PolarHBondContact O-N 2.96Å; I109-V112 PolarHBondContact O-N 3.49Å; H110-V112 VanDerWaalsContact C-N 3.3Å; H110-V112 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.91Å; V112-I115 PolarHBondContact O-N 2.91Å; V112-Y116 WeakPolarHBondContact O-CB 3.36Å; V112-Y116 PolarHBondContact O-N 3.47Å |
| 113 | V | 90.3 | Very high | 87.1 | Confident | 77 Ų | 77 | 80 Ų | 80 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.7 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | I109 H110 Y116 M117 | I109-V113 HydrophobicContact CG2-CG2 4.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.38Å; H110-V113 PolarHBondContact O-N 2.84Å; V113-Y116 PolarHBondContact O-N 3.38Å; V113-M117 HydrophobicContact CG1-CG 4.39Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 3.5Å |
| 114 | S | 88.4 | Confident | 87.6 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 54% | 0.538 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | H110 L111 V112 Y116 M117 F118 | H110-S114 WeakPolarHBondContact O-CB 3.29Å; H110-S114 PolarHBondContact O-N 2.98Å; L111-S114 WeakPolarHBondContact O-CB 3.49Å; L111-S114 PolarHBondContact O-N 3.01Å; V112-S114 VanDerWaalsContact C-N 3.32Å; V112-S114 PolarHBondContact O-N 2.91Å; S114-Y116 VanDerWaalsContact C-N 3.32Å; S114-Y116 PolarHBondContact O-N 3.13Å; S114-M117 PolarHBondContact O-N 3.43Å; S114-F118 WeakPolarHBondContact O-CB 3.34Å; S114-F118 PolarHBondContact O-N 2.98Å |
| 115 | I | 91 | Very high | 87.8 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 37% | 0.369 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 176.9 | -69.5 | 166.6 | 0 | 0 | 0 | 110.4 | L111 V112 F118 I119 | L111-I115 HydrophobicContact CD1-CD1 4.03Å; L111-I115 HydrophobicContact CD1-CG1 4.4Å; L111-I115 HydrophobicContact CG-CD1 3.92Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.19Å; L111-I115 PolarHBondContact O-N 3.23Å; V112-I115 PolarHBondContact O-N 2.91Å; I115-F118 PolarHBondContact O-N 3.47Å; I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.45Å |
| 116 | Y | 89.2 | Confident | 88 | Confident | 99 Ų | 99 | 74.1 Ų | 74.1 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 178.2 | 172.2 | -115.5 | 0 | 0 | 0 | 112.2 | V20 V112 V113 S114 F118 I119 G120 | V20-Y116 HydrophobicContact CB-CE2 4.32Å; V20-Y116 HydrophobicContact CG2-CD1 4.46Å; V20-Y116 HydrophobicContact CG2-CD2 3.17Å; V20-Y116 HydrophobicContact CG2-CE1 4.19Å; V20-Y116 HydrophobicContact CG2-CE2 2.85Å; V20-Y116 HydrophobicContact CG2-CG 3.99Å; V112-Y116 WeakPolarHBondContact O-CB 3.36Å; V112-Y116 PolarHBondContact O-N 3.47Å; V113-Y116 PolarHBondContact O-N 3.38Å; S114-Y116 VanDerWaalsContact C-N 3.32Å; S114-Y116 PolarHBondContact O-N 3.13Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.01Å; Y116-I119 PolarHBondContact O-N 2.99Å; Y116-G120 PolarHBondContact O-N 3.47Å |
| 117 | M | 89.6 | Confident | 88.1 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 177.3 | -69.8 | -60.1 | -66.4 | 0 | 0 | 111.6 | V113 S114 G120 L121 | V113-M117 HydrophobicContact CG1-CG 4.39Å; V113-M117 WeakPolarHBondContact O-CG 3.28Å; V113-M117 PolarHBondContact O-N 3.5Å; S114-M117 PolarHBondContact O-N 3.43Å; M117-G120 PolarHBondContact O-N 3.35Å; M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 3.15Å |
| 118 | F | 87.8 | Confident | 88.3 | Confident | 153 Ų | 153 | 77.8 Ų | 77.8 | 67% | 0.671 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.6 | -46.5 | 176.9 | -173.1 | -101.2 | 0 | 0 | 0 | 112.2 | S114 I115 Y116 G120 L121 A122 | S114-F118 WeakPolarHBondContact O-CB 3.34Å; S114-F118 PolarHBondContact O-N 2.98Å; I115-F118 PolarHBondContact O-N 3.47Å; Y116-F118 VanDerWaalsContact C-N 3.3Å; Y116-F118 PolarHBondContact O-N 3.01Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.43Å; F118-L121 PolarHBondContact O-N 3.28Å; F118-A122 PolarHBondContact O-N 3Å |
| 119 | I | 88.5 | Confident | 88.4 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 35% | 0.354 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.6 | -66.5 | 167.8 | 0 | 0 | 0 | 110.5 | I115 Y116 L121 A122 L123 | I115-I119 HydrophobicContact CG2-CD1 3.76Å; I115-I119 HydrophobicContact CG2-CG1 4.42Å; I115-I119 VanDerWaalsContact O-CG1 3.32Å; I115-I119 WeakPolarHBondContact O-CG1 3.43Å; I115-I119 PolarHBondContact O-N 3.45Å; Y116-I119 PolarHBondContact O-N 2.99Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.47Å; I119-A122 PolarHBondContact O-N 3Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CG 3.2Å; I119-L123 PolarHBondContact O-N 2.87Å |
| 120 | G | 88 | Confident | 88.6 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 34% | 0.34 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y116 M117 F118 L124 | Y116-G120 PolarHBondContact O-N 3.47Å; M117-G120 PolarHBondContact O-N 3.35Å; F118-G120 VanDerWaalsContact C-N 3.31Å; F118-G120 PolarHBondContact O-N 3.43Å; G120-L124 VanDerWaalsContact O-CB 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.22Å; G120-L124 PolarHBondContact O-N 3.04Å |
| 121 | L | 85.9 | Confident | 88.8 | Confident | 82 Ų | 82 | 75.6 Ų | 75.6 | 43% | 0.429 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 175.5 | -73.2 | 173.1 | 0 | 0 | 0 | 112.2 | M117 F118 I119 L123 L124 C125 | M117-L121 WeakPolarHBondContact O-CG 3.47Å; M117-L121 PolarHBondContact O-N 3.15Å; F118-L121 PolarHBondContact O-N 3.28Å; I119-L121 VanDerWaalsContact C-N 3.35Å; I119-L121 PolarHBondContact O-N 3.47Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 2.86Å; L121-L124 PolarHBondContact O-N 3.5Å; L121-C125 PolarHBondContact O-N 2.91Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.35Å |
| 122 | A | 88 | Confident | 88.9 | Confident | 46 Ų | 46 | 74 Ų | 74 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F118 I119 C125 D126 | F118-A122 PolarHBondContact O-N 3Å; I119-A122 PolarHBondContact O-N 3Å; A122-C125 PolarHBondContact O-N 3.38Å; A122-D126 PolarHBondContact O-N 3.08Å; A122-D126 VanDerWaalsContact O-N 3.13Å |
| 123 | L | 87.8 | Confident | 89 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.5 | -68.9 | 174.5 | 0 | 0 | 0 | 112.2 | L12 L13 I119 L121 C125 D126 D127 | L12-L123 HydrophobicContact CD2-CD2 3.62Å; L12-L123 HydrophobicContact CG-CD2 4.26Å; L13-L123 HydrophobicContact CD2-CD1 4.41Å; I119-L123 HydrophobicContact CG2-CD1 3.91Å; I119-L123 HydrophobicContact CG2-CG 4.28Å; I119-L123 WeakPolarHBondContact O-CG 3.2Å; I119-L123 PolarHBondContact O-N 2.87Å; L121-L123 VanDerWaalsContact C-N 3.34Å; L121-L123 PolarHBondContact O-N 2.86Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.03Å; L123-D126 PolarHBondContact O-N 3.1Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.33Å |
| 124 | L | 89.7 | Confident | 89 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | I | π-helix | trans | -61.9 | -43.1 | 177.7 | -175.5 | 67.9 | 0 | 0 | 0 | 111.2 | G120 L121 Y128 F129 | G120-L124 VanDerWaalsContact O-CB 3.31Å; G120-L124 WeakPolarHBondContact O-CB 3.22Å; G120-L124 PolarHBondContact O-N 3.04Å; L121-L124 PolarHBondContact O-N 3.5Å; L124-Y128 HydrophobicContact CD1-CD2 4.25Å; L124-Y128 HydrophobicContact CD1-CG 4.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.08Å; L124-Y128 PolarHBondContact O-N 3.1Å; L124-F129 WeakPolarHBondContact O-CB 2.95Å; L124-F129 PolarHBondContact O-N 3.27Å |
| 125 | C | 88.7 | Confident | 89.1 | Confident | 61 Ų | 61 | 79.2 Ų | 79.2 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | I | π-helix | trans | -61.7 | -52.5 | 177 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | L121 A122 L123 F129 I130 | L121-C125 PolarHBondContact O-N 2.91Å; L121-C125 PolarHBondContact O-SG 3.39Å; L121-C125 VanDerWaalsContact O-SG 3.35Å; A122-C125 PolarHBondContact O-N 3.38Å; L123-C125 VanDerWaalsContact C-N 3.33Å; L123-C125 PolarHBondContact O-N 3.03Å; C125-F129 WeakPolarHBondContact O-CB 3.38Å; C125-I130 WeakPolarHBondContact O-CG1 3.36Å; C125-I130 PolarHBondContact O-N 3.44Å |
| 126 | D | 85.3 | Confident | 89.1 | Confident | 117 Ų | 117 | 79 Ų | 79 | 63% | 0.626 | 40% | 0.401 | S | S | * | . | I | π-helix | trans | -75.2 | -44.2 | -173.4 | -75 | -13.9 | 0 | 0 | 0 | 113.8 | A122 L123 | A122-D126 PolarHBondContact O-N 3.08Å; A122-D126 VanDerWaalsContact O-N 3.13Å; L123-D126 PolarHBondContact O-N 3.1Å |
| 127 | D | 86.9 | Confident | 89.2 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | I | π-helix | trans | -90.7 | -26.2 | -169.6 | -75.3 | -22.5 | 0 | 0 | 0 | 113.7 | R9 L123 | R9-D127 IonicContact CZ-OD1 3.93Å; R9-D127 IonicContact NE-OD1 3.1Å; R9-D127 PolarHBondContact NE-OD1 2.99Å; R9-D127 IonicContact NE-OD2 2.65Å; R9-D127 IonicContact NH2-OD1 3.81Å; R9-D127 PolarHBondContact NH2-OD1 3.43Å; L123-D127 WeakPolarHBondContact O-CB 3.45Å; L123-D127 PolarHBondContact O-N 3.33Å |
| 128 | Y | 89.4 | Confident | 89.1 | Confident | 134 Ų | 134 | 75.2 Ų | 75.2 | 53% | 0.525 | 38% | 0.384 | S | S | . | . | I | π-helix | trans | -119.5 | -50.2 | -174.1 | -63.2 | -90.3 | 0 | 0 | 0 | 112.8 | L124 P131 C132 | L124-Y128 HydrophobicContact CD1-CD2 4.25Å; L124-Y128 HydrophobicContact CD1-CG 4.3Å; L124-Y128 WeakPolarHBondContact O-CB 3.08Å; L124-Y128 PolarHBondContact O-N 3.1Å; Y128-P131 WeakPolarHBondContact O-CD 3.17Å; Y128-C132 VanDerWaalsContact O-CB 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.4Å; Y128-C132 PolarHBondContact O-N 3.42Å; Y128-C132 PolarHBondContact O-SG 2.81Å |
| 129 | F | 89.9 | Confident | 89.3 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 25% | 0.254 | 39% | 0.385 | S | S | . | . | I | π-helix | trans | -64.5 | -52.8 | -173.1 | 179.7 | -117 | 0 | 0 | 0 | 112.2 | L124 C125 C132 L133 M152 | L124-F129 WeakPolarHBondContact O-CB 2.95Å; L124-F129 PolarHBondContact O-N 3.27Å; C125-F129 WeakPolarHBondContact O-CB 3.38Å; F129-C132 WeakPolarHBondContact O-CB 3.39Å; F129-C132 PolarHBondContact O-N 2.65Å; F129-L133 HydrophobicContact CD1-CD1 4.39Å; F129-L133 HydrophobicContact CE1-CD1 3.82Å; F129-L133 HydrophobicContact CE1-CG 4.48Å; F129-L133 HydrophobicContact CE2-CD1 4.27Å; F129-L133 HydrophobicContact CE2-CD2 4.02Å; F129-L133 HydrophobicContact CE2-CG 4.21Å; F129-L133 HydrophobicContact CZ-CD1 3.75Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.91Å; F129-M152 HydrophobicContact CE1-CG 4.28Å |
| 130 | I | 91.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -48.2 | -179.8 | -58.8 | -57 | 0 | 0 | 0 | 112.4 | C125 C132 L133 E134 | C125-I130 WeakPolarHBondContact O-CG1 3.36Å; C125-I130 PolarHBondContact O-N 3.44Å; I130-C132 VanDerWaalsContact C-N 3.3Å; I130-C132 PolarHBondContact O-N 2.99Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-L133 VanDerWaalsContact O-N 3.13Å; I130-E134 PolarHBondContact O-N 3.23Å; I130-E134 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 90.4 | Very high | 89.6 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -33.6 | 175.4 | -26.4 | 37 | 0 | 0 | 0 | 114.1 | Y128 E134 R135 | Y128-P131 WeakPolarHBondContact O-CD 3.17Å; P131-E134 PolarHBondContact O-N 2.96Å; P131-R135 WeakPolarHBondContact O-CG 3.13Å; P131-R135 PolarHBondContact O-N 3.48Å; P131-R135 VanDerWaalsContact O-N 3.14Å |
| 132 | C | 91 | Very high | 89.7 | Confident | 72 Ų | 72 | 81.2 Ų | 81.2 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 173.2 | -76.5 | 0 | 0 | 0 | 0 | 111.2 | Y128 F129 I130 E134 R135 I136 | Y128-C132 VanDerWaalsContact O-CB 3.27Å; Y128-C132 WeakPolarHBondContact O-CB 3.4Å; Y128-C132 PolarHBondContact O-N 3.42Å; Y128-C132 PolarHBondContact O-SG 2.81Å; F129-C132 WeakPolarHBondContact O-CB 3.39Å; F129-C132 PolarHBondContact O-N 2.65Å; I130-C132 VanDerWaalsContact C-N 3.3Å; I130-C132 PolarHBondContact O-N 2.99Å; C132-E134 PolarHBondContact O-N 3.37Å; C132-R135 PolarHBondContact O-N 2.86Å; C132-I136 VanDerWaalsContact O-CG1 3.3Å; C132-I136 WeakPolarHBondContact O-CG1 3.26Å; C132-I136 PolarHBondContact O-N 3.35Å |
| 133 | L | 91.7 | Very high | 89.7 | Confident | 14 Ų | 14 | 85.1 Ų | 85.1 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.5 | -64.4 | -170.4 | 0 | 0 | 0 | 111.7 | F129 I130 R135 I136 C137 F151 M152 | F129-L133 HydrophobicContact CD1-CD1 4.39Å; F129-L133 HydrophobicContact CE1-CD1 3.82Å; F129-L133 HydrophobicContact CE1-CG 4.48Å; F129-L133 HydrophobicContact CE2-CD1 4.27Å; F129-L133 HydrophobicContact CE2-CD2 4.02Å; F129-L133 HydrophobicContact CE2-CG 4.21Å; F129-L133 HydrophobicContact CZ-CD1 3.75Å; F129-L133 HydrophobicContact CZ-CD2 4.24Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 WeakPolarHBondContact O-CG 3.48Å; F129-L133 PolarHBondContact O-N 2.91Å; I130-L133 WeakPolarHBondContact O-CB 3.49Å; I130-L133 PolarHBondContact O-N 3.47Å; I130-L133 VanDerWaalsContact O-N 3.13Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; L133-I136 PolarHBondContact O-N 3.4Å; L133-C137 PolarHBondContact O-N 3.35Å; L133-C137 PolarHBondContact O-SG 3.49Å; L133-F151 HydrophobicContact CD1-CB 4.17Å; L133-F151 HydrophobicContact CD2-CB 3.48Å; L133-F151 VanDerWaalsContact CD2-CB 3.48Å; L133-F151 HydrophobicContact CD2-CG 4.21Å; L133-F151 HydrophobicContact CG-CB 4.44Å; L133-M152 HydrophobicContact CD1-CB 4.19Å |
| 134 | E | 89.4 | Confident | 89.6 | Confident | 101 Ų | 101 | 87.4 Ų | 87.4 | 47% | 0.472 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 176.6 | -69.1 | 179.9 | -171.1 | 0 | 0 | 112.7 | I130 P131 C132 K138 | I130-E134 PolarHBondContact O-N 3.23Å; I130-E134 VanDerWaalsContact O-N 3.08Å; P131-E134 PolarHBondContact O-N 2.96Å; C132-E134 PolarHBondContact O-N 3.37Å; E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.41Å; E134-K138 VanDerWaalsContact O-N 3.13Å |
| 135 | R | 90.7 | Very high | 89.5 | Confident | 171 Ų | 171 | 88.6 Ų | 88.6 | 65% | 0.645 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69.7 | -42.8 | 176.9 | -70.9 | -63.9 | -175.7 | 178.8 | 1.6 | 112 | P131 C132 L133 C137 K138 V139 | P131-R135 WeakPolarHBondContact O-CG 3.13Å; P131-R135 PolarHBondContact O-N 3.48Å; P131-R135 VanDerWaalsContact O-N 3.14Å; C132-R135 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact C-N 3.27Å; L133-R135 PolarHBondContact O-N 3.13Å; R135-C137 VanDerWaalsContact C-N 3.34Å; R135-K138 PolarHBondContact O-N 3Å; R135-V139 WeakPolarHBondContact O-CG2 3.16Å; R135-V139 PolarHBondContact O-N 2.91Å; R135-V139 VanDerWaalsContact O-N 3.1Å |
| 136 | I | 91.3 | Very high | 89.5 | Confident | 67 Ų | 67 | 90.2 Ų | 90.2 | 34% | 0.344 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.5 | -67.9 | 165.9 | 0 | 0 | 0 | 109.7 | C132 L133 K138 V139 L140 F151 | C132-I136 VanDerWaalsContact O-CG1 3.3Å; C132-I136 WeakPolarHBondContact O-CG1 3.26Å; C132-I136 PolarHBondContact O-N 3.35Å; L133-I136 PolarHBondContact O-N 3.4Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 2.92Å; I136-V139 PolarHBondContact O-N 3.49Å; I136-V139 VanDerWaalsContact O-N 3.15Å; I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CD2 4.5Å; I136-L140 VanDerWaalsContact O-CD1 3.28Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.13Å; I136-F151 HydrophobicContact CG2-CE2 4.14Å |
| 137 | C | 91.2 | Very high | 89.6 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 3% | 0.034 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | L133 R135 H141 L142 P144 A147 | L133-C137 PolarHBondContact O-N 3.35Å; L133-C137 PolarHBondContact O-SG 3.49Å; R135-C137 VanDerWaalsContact C-N 3.34Å; C137-H141 PolarHBondContact O-N 2.65Å; C137-H141 VanDerWaalsContact O-N 3.1Å; C137-L142 PolarHBondContact O-N 2.85Å; C137-P144 HydrophobicContact CB-CB 4.5Å; C137-A147 WeakPolarHBondContact SG-CB 3.29Å |
| 138 | K | 89 | Confident | 89.7 | Confident | 125 Ų | 125 | 84 Ų | 84 | 54% | 0.543 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.4 | -75.5 | 170.8 | -176 | 169.2 | 0 | 112.8 | E134 R135 I136 | E134-K138 VanDerWaalsContact O-CG 3.31Å; E134-K138 WeakPolarHBondContact O-CG 3.34Å; E134-K138 PolarHBondContact O-N 3.41Å; E134-K138 VanDerWaalsContact O-N 3.13Å; R135-K138 PolarHBondContact O-N 3Å; I136-K138 VanDerWaalsContact C-N 3.3Å; I136-K138 PolarHBondContact O-N 2.92Å |
| 139 | V | 91.8 | Very high | 89.7 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 68% | 0.679 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74 | -40.9 | 179.4 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | R135 I136 H141 | R135-V139 WeakPolarHBondContact O-CG2 3.16Å; R135-V139 PolarHBondContact O-N 2.91Å; R135-V139 VanDerWaalsContact O-N 3.1Å; I136-V139 PolarHBondContact O-N 3.49Å; I136-V139 VanDerWaalsContact O-N 3.15Å; V139-H141 PolarHBondContact O-N 3.18Å; V139-H141 PolarHBondContact O-ND1 3.43Å |
| 140 | L | 91.1 | Very high | 89.7 | Confident | 88 Ų | 88 | 82.1 Ų | 82.1 | 46% | 0.461 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.9 | -4.6 | 179.4 | -85.1 | 73.2 | 0 | 0 | 0 | 113.4 | I136 L142 | I136-L140 HydrophobicContact CG2-CD1 3.8Å; I136-L140 HydrophobicContact CG2-CD2 4.5Å; I136-L140 VanDerWaalsContact O-CD1 3.28Å; I136-L140 WeakPolarHBondContact O-CD1 3.43Å; I136-L140 PolarHBondContact O-N 3.13Å; L140-L142 HydrophobicContact CB-CD1 4.15Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD2-CD1 4.05Å; L140-L142 PolarHBondContact O-N 3.24Å |
| 141 | H | 90.5 | Very high | 89.7 | Confident | 172 Ų | 172 | 82.8 Ų | 82.8 | 80% | 0.796 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 30.8 | -174.3 | -61.5 | 84.9 | 0 | 0 | 0 | 113.4 | C137 V139 | C137-H141 PolarHBondContact O-N 2.65Å; C137-H141 VanDerWaalsContact O-N 3.1Å; V139-H141 PolarHBondContact O-N 3.18Å; V139-H141 PolarHBondContact O-ND1 3.43Å |
| 142 | L | 88.1 | Confident | 89.7 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | trans | -94.3 | 153.1 | 176.8 | -66.7 | 179 | 0 | 0 | 0 | 110.6 | C137 L140 P144 A147 | C137-L142 PolarHBondContact O-N 2.85Å; L140-L142 HydrophobicContact CB-CD1 4.15Å; L140-L142 HydrophobicContact CB-CG 4.01Å; L140-L142 HydrophobicContact CD2-CD1 4.05Å; L140-L142 PolarHBondContact O-N 3.24Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; L142-A147 HydrophobicContact CB-CB 3.87Å; L142-A147 HydrophobicContact CD1-CB 4.07Å | ||
| 143 | Q | 88.2 | Confident | 89.6 | Confident | 128 Ų | 128 | 84.1 Ų | 84.1 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | trans | -61.8 | 124.9 | 173.4 | -168 | 152.5 | 4.9 | 0 | 0 | 109.3 | D145 V146 A147 | Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.11Å; Q143-V146 HydrophobicContact CB-CG2 4.35Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.11Å | ||
| 144 | P | 86.7 | Confident | 89.5 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.5 | -33.2 | -174.3 | -28 | 35 | 0 | 0 | 0 | 113.6 | C137 L142 G148 | C137-P144 HydrophobicContact CB-CB 4.5Å; L142-P144 WeakPolarHBondContact O-CD 3.3Å; P144-G148 WeakPolarHBondContact O-CA 3.11Å; P144-G148 PolarHBondContact O-N 3.36Å |
| 145 | D | 87.3 | Confident | 89.5 | Confident | 119 Ų | 119 | 82.8 Ų | 82.8 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -70.5 | -42.5 | -177.9 | -52.3 | -38.1 | 0 | 0 | 0 | 112 | Q143 A149 | Q143-D145 PolarHBondContact O-N 2.89Å; Q143-D145 VanDerWaalsContact O-N 3.11Å; D145-A149 VanDerWaalsContact O-CB 3.28Å; D145-A149 WeakPolarHBondContact O-CB 3.17Å; D145-A149 PolarHBondContact O-N 3.02Å |
| 146 | V | 87.8 | Confident | 89.2 | Confident | 94 Ų | 94 | 77.2 Ų | 77.2 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -76.8 | -46 | -176.1 | -177.9 | 0 | 0 | 0 | 0 | 111 | Q143 G148 A149 T150 | Q143-V146 HydrophobicContact CB-CG2 4.35Å; Q143-V146 PolarHBondContact O-N 3.23Å; Q143-V146 VanDerWaalsContact O-N 3.16Å; V146-G148 VanDerWaalsContact C-N 3.35Å; V146-A149 PolarHBondContact O-N 3.13Å; V146-T150 PolarHBondContact O-N 3.47Å; V146-T150 PolarHBondContact O-OG1 3.19Å |
| 147 | A | 88.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 76.7 Ų | 76.7 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C137 L142 Q143 T150 F151 | C137-A147 WeakPolarHBondContact SG-CB 3.29Å; L142-A147 HydrophobicContact CB-CB 3.87Å; L142-A147 HydrophobicContact CD1-CB 4.07Å; Q143-A147 PolarHBondContact O-N 3.4Å; Q143-A147 VanDerWaalsContact O-N 3.11Å; A147-T150 PolarHBondContact O-N 3.02Å; A147-F151 HydrophobicContact CB-CD2 4.29Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.97Å |
| 148 | G | 89.4 | Confident | 89 | Confident | 16 Ų | 16 | 79 Ų | 79 | 17% | 0.165 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P144 V146 T150 F151 M152 | P144-G148 WeakPolarHBondContact O-CA 3.11Å; P144-G148 PolarHBondContact O-N 3.36Å; V146-G148 VanDerWaalsContact C-N 3.35Å; G148-T150 VanDerWaalsContact C-N 3.3Å; G148-T150 PolarHBondContact O-N 2.62Å; G148-F151 PolarHBondContact O-N 3.41Å; G148-M152 WeakPolarHBondContact O-CA 3.46Å; G148-M152 WeakPolarHBondContact O-CB 3.36Å; G148-M152 PolarHBondContact O-N 3.43Å |
| 149 | A | 89.4 | Confident | 89 | Confident | 61 Ų | 61 | 76 Ų | 76 | 50% | 0.504 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D145 V146 A153 | D145-A149 VanDerWaalsContact O-CB 3.28Å; D145-A149 WeakPolarHBondContact O-CB 3.17Å; D145-A149 PolarHBondContact O-N 3.02Å; V146-A149 PolarHBondContact O-N 3.13Å; A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.12Å; A149-A153 VanDerWaalsContact O-N 3.1Å |
| 150 | T | 89.6 | Confident | 88.7 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.2 | -49.6 | -177.8 | -49.3 | 0 | 0 | 0 | 0 | 111.9 | V146 A147 G148 A153 A154 | V146-T150 PolarHBondContact O-N 3.47Å; V146-T150 PolarHBondContact O-OG1 3.19Å; A147-T150 PolarHBondContact O-N 3.02Å; G148-T150 VanDerWaalsContact C-N 3.3Å; G148-T150 PolarHBondContact O-N 2.62Å; T150-A153 PolarHBondContact O-N 2.88Å; T150-A154 PolarHBondContact O-N 2.96Å |
| 151 | F | 91 | Very high | 88.6 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.3 | -31.9 | -178.3 | -70.9 | -61.6 | 0 | 0 | 0 | 112.8 | L133 I136 A147 G148 A154 G155 | L133-F151 HydrophobicContact CD1-CB 4.17Å; L133-F151 HydrophobicContact CD2-CB 3.48Å; L133-F151 VanDerWaalsContact CD2-CB 3.48Å; L133-F151 HydrophobicContact CD2-CG 4.21Å; L133-F151 HydrophobicContact CG-CB 4.44Å; I136-F151 HydrophobicContact CG2-CE2 4.14Å; A147-F151 HydrophobicContact CB-CD2 4.29Å; A147-F151 HydrophobicContact CB-CE2 4.35Å; A147-F151 WeakPolarHBondContact O-CB 3.46Å; A147-F151 WeakPolarHBondContact O-CD2 3.4Å; A147-F151 PolarHBondContact O-N 2.97Å; G148-F151 PolarHBondContact O-N 3.41Å; F151-A154 PolarHBondContact O-N 3.38Å; F151-G155 PolarHBondContact O-N 3.02Å |
| 152 | M | 90.4 | Very high | 88.6 | Confident | 101 Ų | 101 | 67.5 Ų | 67.5 | 50% | 0.498 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 173.5 | -170.8 | 178.1 | 83.1 | 0 | 0 | 110.5 | F129 L133 G148 G155 S156 | F129-M152 HydrophobicContact CE1-CG 4.28Å; L133-M152 HydrophobicContact CD1-CB 4.19Å; G148-M152 WeakPolarHBondContact O-CA 3.46Å; G148-M152 WeakPolarHBondContact O-CB 3.36Å; G148-M152 PolarHBondContact O-N 3.43Å; M152-G155 PolarHBondContact O-N 3.12Å; M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.33Å; M152-S156 PolarHBondContact O-OG 3.06Å |
| 153 | A | 89.8 | Confident | 88.5 | Confident | 49 Ų | 49 | 67 Ų | 67 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56 | -53.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A149 T150 G155 S156 S157 | A149-A153 VanDerWaalsContact O-CB 3.26Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.12Å; A149-A153 VanDerWaalsContact O-N 3.1Å; T150-A153 PolarHBondContact O-N 2.88Å; A153-G155 VanDerWaalsContact C-N 3.34Å; A153-G155 PolarHBondContact O-N 3.2Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 PolarHBondContact O-OG 3.29Å; A153-S157 PolarHBondContact O-N 3.01Å; A153-S157 PolarHBondContact O-OG 3.34Å; A153-S157 VanDerWaalsContact O-OG 3.07Å |
| 154 | A | 89.5 | Confident | 88.5 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T150 F151 A158 | T150-A154 PolarHBondContact O-N 2.96Å; F151-A154 PolarHBondContact O-N 3.38Å; A154-A158 PolarHBondContact O-N 2.96Å |
| 155 | G | 89.2 | Confident | 88.6 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F151 M152 A153 S157 A158 P159 | F151-G155 PolarHBondContact O-N 3.02Å; M152-G155 PolarHBondContact O-N 3.12Å; A153-G155 VanDerWaalsContact C-N 3.34Å; A153-G155 PolarHBondContact O-N 3.2Å; G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 3.19Å; G155-A158 PolarHBondContact O-N 2.93Å; G155-P159 VanDerWaalsContact O-CD 3.25Å; G155-P159 WeakPolarHBondContact O-CD 3.34Å |
| 156 | S | 84.4 | Confident | 88.6 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.2 | -30.3 | 177 | 68.4 | 0 | 0 | 0 | 0 | 113 | M152 A153 A158 P159 | M152-S156 WeakPolarHBondContact O-CB 3.49Å; M152-S156 PolarHBondContact O-N 3.33Å; M152-S156 PolarHBondContact O-OG 3.06Å; A153-S156 PolarHBondContact O-N 2.91Å; A153-S156 PolarHBondContact O-OG 3.29Å; S156-A158 VanDerWaalsContact C-N 3.35Å; S156-P159 WeakPolarHBondContact O-CD 3.36Å |
| 157 | S | 88.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -78 | -15.2 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 113.7 | A153 G155 E160 L161 | A153-S157 PolarHBondContact O-N 3.01Å; A153-S157 PolarHBondContact O-OG 3.34Å; A153-S157 VanDerWaalsContact O-OG 3.07Å; G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 3.19Å; S157-E160 PolarHBondContact O-N 3.43Å; S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.45Å |
| 158 | A | 89.8 | Confident | 88.3 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A154 G155 S156 E160 L161 A162 | A154-A158 PolarHBondContact O-N 2.96Å; G155-A158 PolarHBondContact O-N 2.93Å; S156-A158 VanDerWaalsContact C-N 3.35Å; A158-E160 VanDerWaalsContact C-N 3.34Å; A158-E160 PolarHBondContact O-N 2.85Å; A158-L161 PolarHBondContact O-N 2.91Å; A158-A162 PolarHBondContact O-N 2.77Å |
| 159 | P | 87.2 | Confident | 88.1 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 169.1 | -26.5 | 33.9 | 0 | 0 | 0 | 113.7 | G155 S156 A162 T163 | G155-P159 VanDerWaalsContact O-CD 3.25Å; G155-P159 WeakPolarHBondContact O-CD 3.34Å; S156-P159 WeakPolarHBondContact O-CD 3.36Å; P159-A162 PolarHBondContact O-N 2.97Å; P159-T163 WeakPolarHBondContact O-CG2 3.39Å; P159-T163 PolarHBondContact O-N 2.94Å; P159-T163 PolarHBondContact O-OG1 3.33Å |
| 160 | E | 86.3 | Confident | 87.7 | Confident | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 178.4 | -63.1 | 174 | -178.3 | 0 | 0 | 111.2 | S157 A158 A162 T163 T164 N187 | S157-E160 PolarHBondContact O-N 3.43Å; A158-E160 VanDerWaalsContact C-N 3.34Å; A158-E160 PolarHBondContact O-N 2.85Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 3.04Å; E160-T163 PolarHBondContact O-N 3.14Å; E160-T163 PolarHBondContact O-OG1 3.29Å; E160-T164 WeakPolarHBondContact O-CB 3.28Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.46Å; E160-N187 PolarHBondContact OE1-ND2 2.99Å |
| 161 | L | 89.4 | Confident | 87.1 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 53% | 0.529 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 173.4 | -179.8 | 63.1 | 0 | 0 | 0 | 110.8 | S157 A158 T164 L165 | S157-L161 WeakPolarHBondContact O-CB 3.38Å; S157-L161 PolarHBondContact O-N 3.45Å; A158-L161 PolarHBondContact O-N 2.91Å; L161-T164 PolarHBondContact O-N 3.43Å; L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 3.86Å; L161-L165 HydrophobicContact CG-CG 4.27Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.32Å; L161-L165 PolarHBondContact O-N 2.87Å |
| 162 | A | 89.1 | Confident | 86.4 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A158 P159 E160 T164 L165 V166 | A158-A162 PolarHBondContact O-N 2.77Å; P159-A162 PolarHBondContact O-N 2.97Å; E160-A162 VanDerWaalsContact C-N 3.34Å; E160-A162 PolarHBondContact O-N 3.04Å; A162-T164 VanDerWaalsContact C-N 3.34Å; A162-L165 PolarHBondContact O-N 3.36Å; A162-V166 WeakPolarHBondContact O-CG2 3.31Å; A162-V166 PolarHBondContact O-N 2.95Å |
| 163 | T | 86.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | P159 E160 V166 G167 | P159-T163 WeakPolarHBondContact O-CG2 3.39Å; P159-T163 PolarHBondContact O-N 2.94Å; P159-T163 PolarHBondContact O-OG1 3.33Å; E160-T163 PolarHBondContact O-N 3.14Å; E160-T163 PolarHBondContact O-OG1 3.29Å; T163-V166 PolarHBondContact O-N 3.32Å; T163-G167 PolarHBondContact O-N 2.82Å |
| 164 | T | 87.7 | Confident | 85 | Confident | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.16 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | E160 L161 A162 V166 G167 V168 V180 | E160-T164 WeakPolarHBondContact O-CB 3.28Å; E160-T164 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact O-OG1 3.46Å; L161-T164 PolarHBondContact O-N 3.43Å; A162-T164 VanDerWaalsContact C-N 3.34Å; T164-V166 VanDerWaalsContact C-N 3.29Å; T164-V166 PolarHBondContact O-N 3.3Å; T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 VanDerWaalsContact O-N 3.13Å; T164-V168 HydrophobicContact CG2-CG2 4.17Å; T164-V168 WeakPolarHBondContact O-CG2 3.31Å; T164-V168 PolarHBondContact O-N 2.91Å; T164-V180 HydrophobicContact CG2-CG2 3.32Å; T164-V180 WeakPolarHBondContact OG1-CG2 3.47Å |
| 165 | L | 89.6 | Confident | 84.6 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 178.8 | -71.6 | 170 | 0 | 0 | 0 | 110.9 | L161 A162 F169 | L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 3.86Å; L161-L165 HydrophobicContact CG-CG 4.27Å; L161-L165 WeakPolarHBondContact O-CB 3.4Å; L161-L165 WeakPolarHBondContact O-CG 3.32Å; L161-L165 PolarHBondContact O-N 2.87Å; A162-L165 PolarHBondContact O-N 3.36Å; L165-F169 HydrophobicContact CB-CD2 4.35Å; L165-F169 HydrophobicContact CD2-CD2 4.15Å; L165-F169 HydrophobicContact CD2-CE2 3.71Å; L165-F169 WeakPolarHBondContact O-CB 3.22Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å; L165-F169 PolarHBondContact O-N 3.24Å |
| 166 | V | 87.5 | Confident | 84.2 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | A162 T163 T164 I170 | A162-V166 WeakPolarHBondContact O-CG2 3.31Å; A162-V166 PolarHBondContact O-N 2.95Å; T163-V166 PolarHBondContact O-N 3.32Å; T164-V166 VanDerWaalsContact C-N 3.29Å; T164-V166 PolarHBondContact O-N 3.3Å; V166-I170 HydrophobicContact CG1-CB 4.46Å; V166-I170 HydrophobicContact CG1-CG1 4.09Å; V166-I170 WeakPolarHBondContact O-CA 3.34Å; V166-I170 WeakPolarHBondContact O-CB 3.44Å; V166-I170 WeakPolarHBondContact O-CG1 3.47Å; V166-I170 PolarHBondContact O-N 3.36Å |
| 167 | G | 84.8 | Confident | 84.2 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | I | π-helix | trans | -60.9 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T163 T164 A171 K172 | T163-G167 PolarHBondContact O-N 2.82Å; T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 VanDerWaalsContact O-N 3.13Å; G167-A171 CarbonylContact O-C 3.57Å; G167-A171 WeakPolarHBondContact O-CA 3Å; G167-A171 VanDerWaalsContact O-CB 3.29Å; G167-A171 WeakPolarHBondContact O-CB 3.49Å; G167-A171 PolarHBondContact O-N 3.46Å; G167-K172 PolarHBondContact O-N 2.98Å; G167-K172 VanDerWaalsContact O-N 3.12Å |
| 168 | V | 84.4 | Confident | 84.1 | Confident | 76 Ų | 76 | 69.3 Ų | 69.3 | 46% | 0.461 | 39% | 0.394 | S | S | . | . | I | π-helix | trans | -73.1 | -45.8 | -177 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | T164 K172 | T164-V168 HydrophobicContact CG2-CG2 4.17Å; T164-V168 WeakPolarHBondContact O-CG2 3.31Å; T164-V168 PolarHBondContact O-N 2.91Å; V168-K172 VanDerWaalsContact O-CA 3.3Å; V168-K172 WeakPolarHBondContact O-CA 3.29Å; V168-K172 PolarHBondContact O-N 3.39Å |
| 169 | F | 85.2 | Confident | 83.8 | Confident | 143 Ų | 143 | 68.9 Ų | 68.9 | 63% | 0.627 | 39% | 0.39 | S | S | * | . | I | π-helix | trans | -81.8 | -37.4 | -175.3 | -75.8 | -62.3 | 0 | 0 | 0 | 113.8 | L165 | L165-F169 HydrophobicContact CB-CD2 4.35Å; L165-F169 HydrophobicContact CD2-CD2 4.15Å; L165-F169 HydrophobicContact CD2-CE2 3.71Å; L165-F169 WeakPolarHBondContact O-CB 3.22Å; L165-F169 WeakPolarHBondContact O-CD2 3.48Å; L165-F169 PolarHBondContact O-N 3.24Å |
| 170 | I | 81 | Confident | 83.9 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -91.9 | -54 | -174.6 | -47.2 | -60.4 | 0 | 0 | 0 | 110.6 | P93 V166 | P93-I170 HydrophobicContact CB-CG2 3.82Å; P93-I170 VanDerWaalsContact CD-CG2 3.48Å; P93-I170 HydrophobicContact CG-CG2 3.65Å; V166-I170 HydrophobicContact CG1-CB 4.46Å; V166-I170 HydrophobicContact CG1-CG1 4.09Å; V166-I170 WeakPolarHBondContact O-CA 3.34Å; V166-I170 WeakPolarHBondContact O-CB 3.44Å; V166-I170 WeakPolarHBondContact O-CG1 3.47Å; V166-I170 PolarHBondContact O-N 3.36Å |
| 171 | A | 76.7 | Confident | 84 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -77.2 | -23.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N91 F92 G167 D173 | N91-A171 WeakPolarHBondContact CB-O 3.39Å; N91-A171 WeakPolarHBondContact O-CA 3.47Å; F92-A171 HydrophobicContact CD1-CB 4.11Å; F92-A171 HydrophobicContact CE1-CB 3.88Å; F92-A171 HydrophobicContact CE2-CB 4.39Å; F92-A171 HydrophobicContact CG-CB 4.47Å; F92-A171 HydrophobicContact CZ-CB 4.03Å; G167-A171 CarbonylContact O-C 3.57Å; G167-A171 WeakPolarHBondContact O-CA 3Å; G167-A171 VanDerWaalsContact O-CB 3.29Å; G167-A171 WeakPolarHBondContact O-CB 3.49Å; G167-A171 PolarHBondContact O-N 3.46Å; A171-D173 HydrophobicContact CB-CB 4.27Å; A171-D173 PolarHBondContact O-N 3.28Å |
| 172 | K | 77.5 | Confident | 83.9 | Confident | 173 Ų | 173 | 65.2 Ų | 65.2 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | trans | 48.9 | 33.2 | -177.7 | -64.4 | 178 | 179.8 | 153 | 0 | 112.8 | G167 V168 | G167-K172 PolarHBondContact O-N 2.98Å; G167-K172 VanDerWaalsContact O-N 3.12Å; V168-K172 VanDerWaalsContact O-CA 3.3Å; V168-K172 WeakPolarHBondContact O-CA 3.29Å; V168-K172 PolarHBondContact O-N 3.39Å | ||
| 173 | D | 72.2 | Confident | 83.8 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 20% | 0.203 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -121.9 | 150 | -174.6 | -84.5 | -25.3 | 0 | 0 | 0 | 109.9 | N91 A171 I175 G176 | N91-D173 VanDerWaalsContact CB-OD2 3.28Å; N91-D173 WeakPolarHBondContact CB-OD2 3.47Å; N91-D173 PolarHBondContact ND2-OD1 3.26Å; N91-D173 PolarHBondContact ND2-OD2 3.38Å; A171-D173 HydrophobicContact CB-CB 4.27Å; A171-D173 PolarHBondContact O-N 3.28Å; D173-I175 HydrophobicContact CB-CB 4.28Å; D173-I175 HydrophobicContact CB-CG2 3.63Å; D173-I175 PolarHBondContact O-N 3.49Å; D173-G176 PolarHBondContact O-N 2.77Å |
| 174 | D | 77.9 | Confident | 83.9 | Confident | 150 Ų | 150 | 62.4 Ų | 62.4 | 80% | 0.802 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7.5 | 175 | -57.8 | -34.5 | 0 | 0 | 0 | 112.8 | G176 L177 G178 | D174-G176 PolarHBondContact O-N 2.82Å; D174-L177 WeakPolarHBondContact O-CB 3.35Å; D174-L177 PolarHBondContact O-N 2.77Å; D174-L177 VanDerWaalsContact O-N 3.13Å; D174-G178 PolarHBondContact O-N 3.49Å |
| 175 | I | 80.6 | Confident | 84 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.4 | -29.3 | 171.7 | -161.1 | 166.3 | 0 | 0 | 0 | 112.1 | F92 D173 L177 G178 A179 | F92-I175 HydrophobicContact CZ-CD1 4.34Å; F92-I175 HydrophobicContact CZ-CG2 4.05Å; D173-I175 HydrophobicContact CB-CB 4.28Å; D173-I175 HydrophobicContact CB-CG2 3.63Å; D173-I175 PolarHBondContact O-N 3.49Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.96Å; I175-G178 PolarHBondContact O-N 3.37Å; I175-A179 WeakPolarHBondContact O-CB 3.34Å; I175-A179 PolarHBondContact O-N 3.39Å |
| 176 | G | 81.8 | Confident | 83.9 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D173 D174 A179 V180 | D173-G176 PolarHBondContact O-N 2.77Å; D174-G176 PolarHBondContact O-N 2.82Å; G176-A179 PolarHBondContact O-N 2.92Å; G176-V180 WeakPolarHBondContact O-CG2 3.33Å; G176-V180 PolarHBondContact O-N 3.5Å; G176-V180 VanDerWaalsContact O-N 3.1Å |
| 177 | L | 84.8 | Confident | 84 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 34% | 0.335 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 178.2 | 179.5 | 70.9 | 0 | 0 | 0 | 111.6 | D174 I175 A179 V180 V181 L224 I228 | D174-L177 WeakPolarHBondContact O-CB 3.35Å; D174-L177 PolarHBondContact O-N 2.77Å; D174-L177 VanDerWaalsContact O-N 3.13Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.96Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 2.96Å; L177-V180 WeakPolarHBondContact O-CB 3.06Å; L177-V180 PolarHBondContact O-N 3.36Å; L177-V180 VanDerWaalsContact O-N 3.1Å; L177-V181 PolarHBondContact O-N 3.34Å; L177-V181 VanDerWaalsContact O-N 3.08Å; L177-L224 HydrophobicContact CD1-CD1 4.28Å; L177-L224 HydrophobicContact CD1-CD2 4.39Å; L177-I228 HydrophobicContact CD1-CD1 4.16Å; L177-I228 HydrophobicContact CD2-CD1 3.44Å; L177-I228 VanDerWaalsContact CD2-CD1 3.44Å; L177-I228 HydrophobicContact CD2-CG1 3.99Å; L177-I228 HydrophobicContact CG-CD1 4.33Å |
| 178 | G | 85.3 | Confident | 84.2 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D174 I175 G182 | D174-G178 PolarHBondContact O-N 3.49Å; I175-G178 PolarHBondContact O-N 3.37Å; G178-G182 PolarHBondContact O-N 3.49Å |
| 179 | A | 85 | Confident | 84.5 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I175 G176 L177 S183 | I175-A179 WeakPolarHBondContact O-CB 3.34Å; I175-A179 PolarHBondContact O-N 3.39Å; G176-A179 PolarHBondContact O-N 2.92Å; L177-A179 VanDerWaalsContact C-N 3.27Å; L177-A179 PolarHBondContact O-N 2.96Å; A179-S183 WeakPolarHBondContact O-CB 3.22Å; A179-S183 PolarHBondContact O-N 2.69Å; A179-S183 PolarHBondContact O-OG 3.47Å |
| 180 | V | 88.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 24% | 0.242 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -57 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | T164 G176 L177 G182 S183 A184 | T164-V180 HydrophobicContact CG2-CG2 3.32Å; T164-V180 WeakPolarHBondContact OG1-CG2 3.47Å; G176-V180 WeakPolarHBondContact O-CG2 3.33Å; G176-V180 PolarHBondContact O-N 3.5Å; G176-V180 VanDerWaalsContact O-N 3.1Å; L177-V180 WeakPolarHBondContact O-CB 3.06Å; L177-V180 PolarHBondContact O-N 3.36Å; L177-V180 VanDerWaalsContact O-N 3.1Å; V180-G182 PolarHBondContact O-N 3.48Å; V180-S183 PolarHBondContact O-N 3.31Å; V180-A184 WeakPolarHBondContact O-CB 3.08Å; V180-A184 PolarHBondContact O-N 2.85Å |
| 181 | V | 88.7 | Confident | 85.1 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 28% | 0.279 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | -173.8 | 179.9 | 0 | 0 | 0 | 0 | 110 | L177 S183 A184 D185 L224 | L177-V181 PolarHBondContact O-N 3.34Å; L177-V181 VanDerWaalsContact O-N 3.08Å; V181-S183 PolarHBondContact O-N 3.27Å; V181-A184 PolarHBondContact O-N 2.89Å; V181-D185 PolarHBondContact O-N 3.19Å; V181-L224 HydrophobicContact CG2-CD2 3.73Å |
| 182 | G | 87.9 | Confident | 85.7 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G178 V180 F186 | G178-G182 PolarHBondContact O-N 3.49Å; V180-G182 PolarHBondContact O-N 3.48Å; G182-F186 WeakPolarHBondContact O-CB 2.86Å; G182-F186 PolarHBondContact O-N 2.71Å |
| 183 | S | 87.5 | Confident | 86.4 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | A179 V180 V181 F186 N187 | A179-S183 WeakPolarHBondContact O-CB 3.22Å; A179-S183 PolarHBondContact O-N 2.69Å; A179-S183 PolarHBondContact O-OG 3.47Å; V180-S183 PolarHBondContact O-N 3.31Å; V181-S183 PolarHBondContact O-N 3.27Å; S183-F186 PolarHBondContact O-N 2.78Å; S183-N187 VanDerWaalsContact O-CB 3.22Å; S183-N187 WeakPolarHBondContact O-CB 3.45Å; S183-N187 PolarHBondContact O-N 2.73Å |
| 184 | A | 88.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V180 V181 F186 N187 I188 | V180-A184 WeakPolarHBondContact O-CB 3.08Å; V180-A184 PolarHBondContact O-N 2.85Å; V181-A184 PolarHBondContact O-N 2.89Å; A184-F186 PolarHBondContact O-N 2.89Å; A184-N187 PolarHBondContact O-N 2.81Å; A184-I188 PolarHBondContact O-N 2.81Å; A184-I188 VanDerWaalsContact O-N 3.15Å |
| 185 | D | 89.5 | Confident | 87.7 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.3 | -76.4 | -23.7 | 0 | 0 | 0 | 111.4 | V181 N187 I188 M189 Y217 | V181-D185 PolarHBondContact O-N 3.19Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.32Å; D185-I188 PolarHBondContact O-N 3.42Å; D185-M189 WeakPolarHBondContact O-CB 3.27Å; D185-M189 VanDerWaalsContact O-CG 3.26Å; D185-M189 WeakPolarHBondContact O-CG 3.37Å; D185-M189 PolarHBondContact O-N 2.73Å; D185-Y217 PolarHBondContact OD1-OH 2.8Å |
| 186 | F | 87.6 | Confident | 88.1 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 178.4 | 179.6 | -106.4 | 0 | 0 | 0 | 112 | G182 S183 A184 M189 L190 | G182-F186 WeakPolarHBondContact O-CB 2.86Å; G182-F186 PolarHBondContact O-N 2.71Å; S183-F186 PolarHBondContact O-N 2.78Å; A184-F186 PolarHBondContact O-N 2.89Å; F186-M189 PolarHBondContact O-N 3.39Å; F186-L190 HydrophobicContact CE1-CD2 3.75Å; F186-L190 HydrophobicContact CE2-CB 4.5Å; F186-L190 HydrophobicContact CZ-CB 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.46Å; F186-L190 HydrophobicContact CZ-CD2 3.74Å; F186-L190 HydrophobicContact CZ-CG 4.42Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.22Å |
| 187 | N | 88.5 | Confident | 88.4 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 179.8 | -170.8 | -1.6 | 0 | 0 | 0 | 110.9 | E160 S183 A184 D185 V191 | E160-N187 PolarHBondContact OE1-ND2 2.99Å; S183-N187 VanDerWaalsContact O-CB 3.22Å; S183-N187 WeakPolarHBondContact O-CB 3.45Å; S183-N187 PolarHBondContact O-N 2.73Å; A184-N187 PolarHBondContact O-N 2.81Å; D185-N187 VanDerWaalsContact C-N 3.33Å; D185-N187 PolarHBondContact O-N 3.32Å; N187-V191 WeakPolarHBondContact O-CB 3.34Å; N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.12Å |
| 188 | I | 88.7 | Confident | 88.7 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 42% | 0.415 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | -179.9 | -60.1 | 168.5 | 0 | 0 | 0 | 110.7 | A184 D185 L190 V192 Y217 | A184-I188 PolarHBondContact O-N 2.81Å; A184-I188 VanDerWaalsContact O-N 3.15Å; D185-I188 PolarHBondContact O-N 3.42Å; I188-L190 PolarHBondContact O-N 3.46Å; I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.24Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.48Å; I188-Y217 HydrophobicContact CD1-CD2 3.94Å; I188-Y217 HydrophobicContact CD1-CE1 4.19Å; I188-Y217 HydrophobicContact CD1-CE2 3.42Å; I188-Y217 VanDerWaalsContact CD1-CE2 3.42Å |
| 189 | M | 90.6 | Very high | 88.8 | Confident | 132 Ų | 132 | 74.4 Ų | 74.4 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | -179.7 | -73.1 | -178 | 69.4 | 0 | 0 | 111.9 | D185 F186 S193 | D185-M189 WeakPolarHBondContact O-CB 3.27Å; D185-M189 VanDerWaalsContact O-CG 3.26Å; D185-M189 WeakPolarHBondContact O-CG 3.37Å; D185-M189 PolarHBondContact O-N 2.73Å; F186-M189 PolarHBondContact O-N 3.39Å; M189-S193 WeakPolarHBondContact O-CB 3.4Å; M189-S193 PolarHBondContact O-N 3.36Å; M189-S193 PolarHBondContact O-OG 3.4Å |
| 190 | L | 90.1 | Very high | 88.8 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 43% | 0.429 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -47.1 | -177.9 | -177 | 67.8 | 0 | 0 | 0 | 111.1 | F186 I188 S193 V194 | F186-L190 HydrophobicContact CE1-CD2 3.75Å; F186-L190 HydrophobicContact CE2-CB 4.5Å; F186-L190 HydrophobicContact CZ-CB 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.46Å; F186-L190 HydrophobicContact CZ-CD2 3.74Å; F186-L190 HydrophobicContact CZ-CG 4.42Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 PolarHBondContact O-N 3.22Å; I188-L190 PolarHBondContact O-N 3.46Å; L190-S193 PolarHBondContact O-N 3.43Å; L190-V194 HydrophobicContact CD1-CG2 3.92Å; L190-V194 HydrophobicContact CG-CG2 4.28Å; L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.32Å; L190-V194 PolarHBondContact O-N 2.73Å |
| 191 | V | 89.8 | Confident | 88.7 | Confident | 85 Ų | 85 | 88.2 Ų | 88.2 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | -179.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | N187 S195 | N187-V191 WeakPolarHBondContact O-CB 3.34Å; N187-V191 WeakPolarHBondContact O-CG2 3.28Å; N187-V191 PolarHBondContact O-N 3.12Å; V191-S195 WeakPolarHBondContact O-CB 3.29Å; V191-S195 PolarHBondContact O-N 3.33Å; V191-S195 PolarHBondContact O-OG 2.93Å |
| 192 | V | 89.9 | Confident | 88.5 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | I188 S195 A196 | I188-V192 HydrophobicContact CG2-CG2 4.29Å; I188-V192 WeakPolarHBondContact O-CB 3.46Å; I188-V192 VanDerWaalsContact O-CG2 3.24Å; I188-V192 WeakPolarHBondContact O-CG2 3.29Å; I188-V192 PolarHBondContact O-N 3.48Å; V192-S195 WeakPolarHBondContact CA-OG 3.14Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.32Å; V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.19Å |
| 193 | S | 91.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 94.4 Ų | 94.4 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -48.4 | -178.7 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | M189 L190 A196 L197 | M189-S193 WeakPolarHBondContact O-CB 3.4Å; M189-S193 PolarHBondContact O-N 3.36Å; M189-S193 PolarHBondContact O-OG 3.4Å; L190-S193 PolarHBondContact O-N 3.43Å; S193-A196 PolarHBondContact O-N 3.36Å; S193-L197 WeakPolarHBondContact O-CB 3.08Å; S193-L197 VanDerWaalsContact O-CG 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.18Å; S193-L197 PolarHBondContact O-N 2.72Å |
| 194 | V | 90.5 | Very high | 88.1 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 178.8 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | L190 A196 L197 F198 | L190-V194 HydrophobicContact CD1-CG2 3.92Å; L190-V194 HydrophobicContact CG-CG2 4.28Å; L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 VanDerWaalsContact O-CG2 3.26Å; L190-V194 WeakPolarHBondContact O-CG2 3.32Å; L190-V194 PolarHBondContact O-N 2.73Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 2.73Å; V194-L197 PolarHBondContact O-N 3.49Å; V194-F198 HydrophobicContact CG1-CD2 3.64Å; V194-F198 HydrophobicContact CG1-CE2 3.82Å; V194-F198 VanDerWaalsContact O-CD2 3.25Å; V194-F198 WeakPolarHBondContact O-CD2 3.28Å; V194-F198 PolarHBondContact O-N 3.38Å |
| 195 | S | 86.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 106.2 Ų | 106.2 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.3 | -39.9 | 178.2 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | V191 V192 A199 | V191-S195 WeakPolarHBondContact O-CB 3.29Å; V191-S195 PolarHBondContact O-N 3.33Å; V191-S195 PolarHBondContact O-OG 2.93Å; V192-S195 WeakPolarHBondContact CA-OG 3.14Å; V192-S195 PolarHBondContact O-N 3Å; V192-S195 PolarHBondContact O-OG 3.32Å; S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.12Å; S195-A199 PolarHBondContact O-N 3.27Å |
| 196 | A | 89 | Confident | 87.8 | Confident | 68 Ų | 68 | 109.8 Ų | 109.8 | 56% | 0.562 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.2 | -39.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V192 S193 V194 F198 A199 | V192-A196 WeakPolarHBondContact O-CB 3.33Å; V192-A196 PolarHBondContact O-N 3.19Å; S193-A196 PolarHBondContact O-N 3.36Å; V194-A196 VanDerWaalsContact C-N 3.32Å; V194-A196 PolarHBondContact O-N 2.73Å; A196-F198 VanDerWaalsContact C-N 3.35Å; A196-F198 PolarHBondContact O-N 3.28Å; A196-A199 PolarHBondContact O-N 2.63Å |
| 197 | L | 89.5 | Confident | 88 | Confident | 144 Ų | 144 | 113.1 Ų | 113.1 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.8 | -34.7 | 178.3 | -74.2 | 172.4 | 0 | 0 | 0 | 112.8 | S193 V194 | S193-L197 WeakPolarHBondContact O-CB 3.08Å; S193-L197 VanDerWaalsContact O-CG 3.29Å; S193-L197 WeakPolarHBondContact O-CG 3.18Å; S193-L197 PolarHBondContact O-N 2.72Å; V194-L197 PolarHBondContact O-N 3.49Å |
| 198 | F | 89.5 | Confident | 88.2 | Confident | 160 Ų | 160 | 119.4 Ų | 119.4 | 70% | 0.702 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -92.9 | -7.8 | 179.9 | -73.5 | -77.2 | 0 | 0 | 0 | 114 | V194 A196 K200 | V194-F198 HydrophobicContact CG1-CD2 3.64Å; V194-F198 HydrophobicContact CG1-CE2 3.82Å; V194-F198 VanDerWaalsContact O-CD2 3.25Å; V194-F198 WeakPolarHBondContact O-CD2 3.28Å; V194-F198 PolarHBondContact O-N 3.38Å; A196-F198 VanDerWaalsContact C-N 3.35Å; A196-F198 PolarHBondContact O-N 3.28Å; F198-K200 PolarHBondContact O-N 2.79Å |
| 199 | A | 86.9 | Confident | 88.2 | Confident | 39 Ų | 39 | 117.8 Ų | 117.8 | 32% | 0.322 | 60% | 0.598 | S | S | . | * | trans | -68.8 | 90.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S195 A196 Q201 I203 | S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.12Å; S195-A199 PolarHBondContact O-N 3.27Å; A196-A199 PolarHBondContact O-N 2.63Å; A199-Q201 PolarHBondContact O-N 2.8Å; A199-Q201 VanDerWaalsContact O-N 3.13Å; A199-I203 HydrophobicContact CB-CD1 3.74Å; A199-I203 HydrophobicContact CB-CG1 4.42Å | ||
| 200 | K | 86.2 | Confident | 88.2 | Confident | 216 Ų | 216 | 115.9 Ų | 115.9 | 94% | 0.939 | 59% | 0.59 | S | S | * | * | trans | -70.6 | 0.7 | 175.6 | -67.6 | -175.2 | 178.1 | -179.4 | 0 | 114.1 | F198 | F198-K200 PolarHBondContact O-N 2.79Š| ||
| 201 | Q | 86.5 | Confident | 88.4 | Confident | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -134.3 | 148.2 | -174.2 | -176.9 | 170.9 | -16.7 | 0 | 0 | 109.8 | A199 I203 | A199-Q201 PolarHBondContact O-N 2.8Å; A199-Q201 VanDerWaalsContact O-N 3.13Å; Q201-I203 PolarHBondContact O-N 3.01Å |
| 202 | V | 84.8 | Confident | 88.6 | Confident | 103 Ų | 103 | 117.4 Ų | 117.4 | 62% | 0.624 | 59% | 0.588 | S | S | * | * | trans | -61.3 | 116.1 | 171.8 | -70.2 | 0 | 0 | 0 | 0 | 110 | Y204 | V202-Y204 HydrophobicContact CB-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 3.86Å | ||
| 203 | I | 82.3 | Confident | 88.5 | Confident | 113 Ų | 113 | 117.5 Ų | 117.5 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | trans | -97.3 | 115.2 | 174 | -55.6 | 174.1 | 0 | 0 | 0 | 107 | A199 Q201 L205 | A199-I203 HydrophobicContact CB-CD1 3.74Å; A199-I203 HydrophobicContact CB-CG1 4.42Å; Q201-I203 PolarHBondContact O-N 3.01Å; I203-L205 HydrophobicContact CB-CD1 3.95Å; I203-L205 HydrophobicContact CG2-CD1 3.48Å; I203-L205 VanDerWaalsContact CG2-CD1 3.48Å; I203-L205 HydrophobicContact CG2-CG 4.14Å; I203-L205 PolarHBondContact O-N 2.93Å | ||
| 204 | Y | 84.2 | Confident | 88.5 | Confident | 206 Ų | 206 | 117.7 Ų | 117.7 | 81% | 0.808 | 59% | 0.587 | S | S | * | * | trans | -81.8 | 99.2 | 173 | -63.2 | -84.4 | 0 | 0 | 0 | 108.6 | V202 | V202-Y204 HydrophobicContact CB-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 3.86Å | ||
| 205 | L | 81.5 | Confident | 88.7 | Confident | 117 Ų | 117 | 117.3 Ų | 117.3 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | trans | -90.3 | 131.6 | 170.9 | -72.3 | 96 | 0 | 0 | 0 | 110 | I203 W207 | I203-L205 HydrophobicContact CB-CD1 3.95Å; I203-L205 HydrophobicContact CG2-CD1 3.48Å; I203-L205 VanDerWaalsContact CG2-CD1 3.48Å; I203-L205 HydrophobicContact CG2-CG 4.14Å; I203-L205 PolarHBondContact O-N 2.93Å; L205-W207 PolarHBondContact O-N 2.8Å | ||
| 206 | N | 89.4 | Confident | 89 | Confident | 129 Ų | 129 | 118.3 Ų | 118.3 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | trans | -65.7 | 130.4 | 167.3 | -73.3 | -58.1 | 0 | 0 | 0 | 109 | W208 P209 | N206-W208 VanDerWaalsContact C-N 3.26Å; N206-W208 PolarHBondContact O-N 3.4Å; N206-P209 HydrophobicContact CB-CG 4.07Å; N206-P209 WeakPolarHBondContact O-CD 3.11Å | ||
| 207 | W | 91.6 | Very high | 89.1 | Confident | 203 Ų | 203 | 118.5 Ų | 118.5 | 77% | 0.769 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.5 | -29.6 | 179 | -110.6 | 70.6 | 0 | 0 | 0 | 112.7 | L205 L210 V211 | L205-W207 PolarHBondContact O-N 2.8Å; W207-L210 PolarHBondContact O-N 3.43Å; W207-V211 HydrophobicContact CE3-CG2 3.61Å; W207-V211 HydrophobicContact CZ3-CG2 3.93Å; W207-V211 WeakPolarHBondContact O-CG2 3.13Å; W207-V211 PolarHBondContact O-N 2.9Å |
| 208 | W | 92.8 | Very high | 89.2 | Confident | 193 Ų | 193 | 116.6 Ų | 116.6 | 73% | 0.731 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -49.9 | -174.8 | -170.3 | 89 | 0 | 0 | 0 | 113.7 | N206 L210 V211 R212 | N206-W208 VanDerWaalsContact C-N 3.26Å; N206-W208 PolarHBondContact O-N 3.4Å; W208-L210 VanDerWaalsContact C-N 3.33Å; W208-L210 PolarHBondContact O-N 3.39Å; W208-V211 PolarHBondContact O-N 3.02Å; W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.26Å |
| 209 | P | 89.8 | Confident | 89.4 | Confident | 47 Ų | 47 | 114.2 Ų | 114.2 | 31% | 0.305 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.1 | -40 | 171.9 | -25.5 | 34.8 | 0 | 0 | 0 | 113.6 | N206 R212 D213 | N206-P209 HydrophobicContact CB-CG 4.07Å; N206-P209 WeakPolarHBondContact O-CD 3.11Å; P209-R212 PolarHBondContact O-N 3.02Å; P209-D213 WeakPolarHBondContact O-CB 3.48Å; P209-D213 PolarHBondContact O-N 3.1Å |
| 210 | L | 89.2 | Confident | 89.6 | Confident | 92 Ų | 92 | 115.1 Ų | 115.1 | 48% | 0.482 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -45.1 | -178.9 | -175.9 | 67.6 | 0 | 0 | 0 | 111.9 | W207 W208 D213 S214 | W207-L210 PolarHBondContact O-N 3.43Å; W208-L210 VanDerWaalsContact C-N 3.33Å; W208-L210 PolarHBondContact O-N 3.39Å; L210-D213 PolarHBondContact O-N 2.96Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.36Å; L210-S214 PolarHBondContact O-OG 3.46Å |
| 211 | V | 94.5 | Very high | 89.8 | Confident | 69 Ų | 69 | 107.6 Ų | 107.6 | 42% | 0.418 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | W207 W208 S214 A215 | W207-V211 HydrophobicContact CE3-CG2 3.61Å; W207-V211 HydrophobicContact CZ3-CG2 3.93Å; W207-V211 WeakPolarHBondContact O-CG2 3.13Å; W207-V211 PolarHBondContact O-N 2.9Å; W208-V211 PolarHBondContact O-N 3.02Å; V211-S214 PolarHBondContact O-OG 3.02Å; V211-S214 VanDerWaalsContact O-OG 3.11Å; V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 3.49Å |
| 212 | R | 93.9 | Very high | 90.1 | Very high | 129 Ų | 129 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 176 | -177.7 | -166 | 66.1 | 171.5 | -1.7 | 110.9 | W208 P209 A215 V216 | W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.26Å; P209-R212 PolarHBondContact O-N 3.02Å; R212-A215 PolarHBondContact O-N 2.64Å; R212-V216 VanDerWaalsContact O-CG2 3.28Å; R212-V216 WeakPolarHBondContact O-CG2 3.39Å; R212-V216 PolarHBondContact O-N 3.1Å |
| 213 | D | 89.6 | Confident | 90.4 | Very high | 87 Ų | 87 | 104.2 Ų | 104.2 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -38.5 | -176 | -64.3 | -0.6 | 0 | 0 | 0 | 110.8 | P209 L210 Y217 | P209-D213 WeakPolarHBondContact O-CB 3.48Å; P209-D213 PolarHBondContact O-N 3.1Å; L210-D213 PolarHBondContact O-N 2.96Å; D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.47Å |
| 214 | S | 90.9 | Very high | 90.7 | Very high | 68 Ų | 68 | 101.8 Ų | 101.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 175.2 | 70 | 0 | 0 | 0 | 0 | 113.2 | L210 V211 Y217 L218 | L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.36Å; L210-S214 PolarHBondContact O-OG 3.46Å; V211-S214 PolarHBondContact O-OG 3.02Å; V211-S214 VanDerWaalsContact O-OG 3.11Å; S214-Y217 PolarHBondContact O-N 2.7Å; S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 2.74Å |
| 215 | A | 94.3 | Very high | 90.8 | Very high | 53 Ų | 53 | 94.6 Ų | 94.6 | 44% | 0.438 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V211 R212 Y217 L218 L219 | V211-A215 WeakPolarHBondContact O-CB 3.5Å; V211-A215 PolarHBondContact O-N 3.49Å; R212-A215 PolarHBondContact O-N 2.64Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; A215-L218 PolarHBondContact O-N 3.21Å; A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 PolarHBondContact O-N 3.5Å |
| 216 | V | 92.6 | Very high | 91.2 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.558 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | R212 L219 S220 | R212-V216 VanDerWaalsContact O-CG2 3.28Å; R212-V216 WeakPolarHBondContact O-CG2 3.39Å; R212-V216 PolarHBondContact O-N 3.1Å; V216-L219 PolarHBondContact O-N 2.8Å; V216-S220 PolarHBondContact O-N 3.18Å |
| 217 | Y | 90.4 | Very high | 91 | Very high | 72 Ų | 72 | 92.7 Ų | 92.7 | 28% | 0.282 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 174.8 | -171.9 | -110.3 | 0 | 0 | 0 | 111.9 | D185 I188 D213 S214 A215 L219 S220 I221 | D185-Y217 PolarHBondContact OD1-OH 2.8Å; I188-Y217 HydrophobicContact CD1-CD2 3.94Å; I188-Y217 HydrophobicContact CD1-CE1 4.19Å; I188-Y217 HydrophobicContact CD1-CE2 3.42Å; I188-Y217 VanDerWaalsContact CD1-CE2 3.42Å; D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.47Å; S214-Y217 PolarHBondContact O-N 2.7Å; A215-Y217 VanDerWaalsContact C-N 3.34Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 3.19Å; Y217-S220 WeakPolarHBondContact O-CB 3.1Å; Y217-S220 PolarHBondContact O-N 3.45Å; Y217-S220 VanDerWaalsContact O-N 3.08Å; Y217-S220 PolarHBondContact O-OG 3.27Å; Y217-I221 HydrophobicContact CD1-CD1 3.85Å; Y217-I221 HydrophobicContact CE1-CD1 3.34Å; Y217-I221 HydrophobicContact CE1-CG1 4.33Å; Y217-I221 PolarHBondContact O-N 3.15Å; Y217-I221 VanDerWaalsContact O-N 3.08Å |
| 218 | L | 92.4 | Very high | 90.7 | Very high | 104 Ų | 104 | 86.9 Ų | 86.9 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 177.7 | -175.9 | 65.8 | 0 | 0 | 0 | 111.8 | S214 A215 S220 I221 I222 | S214-L218 WeakPolarHBondContact O-CB 3.32Å; S214-L218 PolarHBondContact O-N 2.74Å; A215-L218 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.43Å; L218-I221 PolarHBondContact O-N 3.44Å; L218-I222 HydrophobicContact CD1-CD1 4.41Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.88Å |
| 219 | L | 94.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 87 Ų | 87 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -40.1 | 174.8 | 179.4 | 62.7 | 0 | 0 | 0 | 111.7 | A215 V216 Y217 I222 L223 | A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 PolarHBondContact O-N 3.5Å; V216-L219 PolarHBondContact O-N 2.8Å; Y217-L219 VanDerWaalsContact C-N 3.32Å; Y217-L219 PolarHBondContact O-N 3.19Å; L219-I222 PolarHBondContact O-N 3.18Å; L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 PolarHBondContact O-N 3.43Å |
| 220 | S | 90.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 89.1 Ų | 89.1 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.6 | 77 | 0 | 0 | 0 | 0 | 112.5 | V216 Y217 L218 L224 | V216-S220 PolarHBondContact O-N 3.18Å; Y217-S220 WeakPolarHBondContact O-CB 3.1Å; Y217-S220 PolarHBondContact O-N 3.45Å; Y217-S220 VanDerWaalsContact O-N 3.08Å; Y217-S220 PolarHBondContact O-OG 3.27Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.43Å; S220-L224 WeakPolarHBondContact O-CB 3.08Å; S220-L224 PolarHBondContact O-N 2.77Å |
| 221 | I | 91 | Very high | 88.6 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 174.8 | -66.7 | 172.2 | 0 | 0 | 0 | 110.7 | Y217 L218 L223 L224 A225 | Y217-I221 HydrophobicContact CD1-CD1 3.85Å; Y217-I221 HydrophobicContact CE1-CD1 3.34Å; Y217-I221 HydrophobicContact CE1-CG1 4.33Å; Y217-I221 PolarHBondContact O-N 3.15Å; Y217-I221 VanDerWaalsContact O-N 3.08Å; L218-I221 PolarHBondContact O-N 3.44Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.19Å; I221-L224 PolarHBondContact O-N 3.08Å; I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.28Å |
| 222 | I | 92.1 | Very high | 86.4 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 42% | 0.415 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 178.4 | -69.5 | 166.9 | 0 | 0 | 0 | 110.4 | L218 L219 L224 A225 L226 | L218-I222 HydrophobicContact CD1-CD1 4.41Å; L218-I222 HydrophobicContact CD2-CD1 4.48Å; L218-I222 HydrophobicContact CG-CD1 3.91Å; L218-I222 VanDerWaalsContact O-CG1 3.29Å; L218-I222 WeakPolarHBondContact O-CG1 3.35Å; L218-I222 PolarHBondContact O-N 2.88Å; L219-I222 PolarHBondContact O-N 3.18Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.49Å; I222-A225 PolarHBondContact O-N 3.17Å; I222-L226 HydrophobicContact CG2-CD1 4.1Å; I222-L226 HydrophobicContact CG2-CG 4.36Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.49Å |
| 223 | L | 91.2 | Very high | 84.8 | Confident | 108 Ų | 108 | 91.6 Ų | 91.6 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 178 | -174.9 | 145.7 | 0 | 0 | 0 | 111.1 | L219 I221 L226 V227 | L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.4Å; L219-L223 PolarHBondContact O-N 3.43Å; I221-L223 VanDerWaalsContact C-N 3.35Å; I221-L223 PolarHBondContact O-N 3.19Å; L223-L226 PolarHBondContact O-N 3.5Å; L223-V227 HydrophobicContact CD2-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.05Å |
| 224 | L | 87.6 | Confident | 82.9 | Confident | 63 Ų | 63 | 97.4 Ų | 97.4 | 33% | 0.33 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 173.5 | -179.9 | 61.6 | 0 | 0 | 0 | 111.3 | L177 V181 S220 I221 I222 L226 V227 I228 | L177-L224 HydrophobicContact CD1-CD1 4.28Å; L177-L224 HydrophobicContact CD1-CD2 4.39Å; V181-L224 HydrophobicContact CG2-CD2 3.73Å; S220-L224 WeakPolarHBondContact O-CB 3.08Å; S220-L224 PolarHBondContact O-N 2.77Å; I221-L224 PolarHBondContact O-N 3.08Å; I222-L224 VanDerWaalsContact C-N 3.33Å; I222-L224 PolarHBondContact O-N 3.49Å; L224-L226 PolarHBondContact O-N 2.81Å; L224-V227 PolarHBondContact O-N 2.86Å; L224-I228 HydrophobicContact CD1-CD1 4.06Å; L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 3.85Å; L224-I228 VanDerWaalsContact O-CD1 3.29Å; L224-I228 WeakPolarHBondContact O-CD1 3.39Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.03Å; L224-I228 PolarHBondContact O-N 3.04Å |
| 225 | A | 87.6 | Confident | 81.2 | Confident | 54 Ų | 54 | 97.5 Ų | 97.5 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I221 I222 I228 Y229 | I221-A225 WeakPolarHBondContact O-CB 3.5Å; I221-A225 PolarHBondContact O-N 3.28Å; I222-A225 PolarHBondContact O-N 3.17Å; A225-I228 PolarHBondContact O-N 2.87Å; A225-Y229 WeakPolarHBondContact O-CB 3.42Å; A225-Y229 PolarHBondContact O-N 2.92Å |
| 226 | L | 89.3 | Confident | 79.5 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 175.7 | -72.7 | 174.9 | 0 | 0 | 0 | 112 | I222 L223 L224 I228 Y229 D230 | I222-L226 HydrophobicContact CG2-CD1 4.1Å; I222-L226 HydrophobicContact CG2-CG 4.36Å; I222-L226 WeakPolarHBondContact O-CG 3.23Å; I222-L226 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.5Å; L224-L226 PolarHBondContact O-N 2.81Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.27Å; L226-Y229 PolarHBondContact O-N 3.35Å; L226-D230 WeakPolarHBondContact O-CB 3.47Å; L226-D230 PolarHBondContact O-N 3.13Å |
| 227 | V | 86.4 | Confident | 77.7 | Confident | 95 Ų | 95 | 101 Ų | 101 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.1 | -37.2 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L223 L224 | L223-V227 HydrophobicContact CD2-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 3.05Å; L224-V227 PolarHBondContact O-N 2.86Å |
| 228 | I | 84.2 | Confident | 76 | Confident | 82 Ų | 82 | 104 Ų | 104 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.7 | -41 | 176.6 | -65 | 155.3 | 0 | 0 | 0 | 111.3 | L177 L224 A225 L226 D230 | L177-I228 HydrophobicContact CD1-CD1 4.16Å; L177-I228 HydrophobicContact CD2-CD1 3.44Å; L177-I228 VanDerWaalsContact CD2-CD1 3.44Å; L177-I228 HydrophobicContact CD2-CG1 3.99Å; L177-I228 HydrophobicContact CG-CD1 4.33Å; L224-I228 HydrophobicContact CD1-CD1 4.06Å; L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 3.85Å; L224-I228 VanDerWaalsContact O-CD1 3.29Å; L224-I228 WeakPolarHBondContact O-CD1 3.39Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.03Å; L224-I228 PolarHBondContact O-N 3.04Å; A225-I228 PolarHBondContact O-N 2.87Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.27Å; I228-D230 VanDerWaalsContact C-N 3.27Å; I228-D230 PolarHBondContact O-N 3.21Å |
| 229 | Y | 84.4 | Confident | 73.9 | Confident | 194 Ų | 194 | 111 Ų | 111 | 76% | 0.761 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -38.7 | 179 | -178.2 | -101.7 | 0 | 0 | 0 | 111.6 | A225 L226 E231 | A225-Y229 WeakPolarHBondContact O-CB 3.42Å; A225-Y229 PolarHBondContact O-N 2.92Å; L226-Y229 PolarHBondContact O-N 3.35Å; Y229-E231 VanDerWaalsContact C-N 3.29Å; Y229-E231 PolarHBondContact O-N 3.44Å |
| 230 | D | 77.8 | Confident | 71.8 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | trans | -79.7 | 72.6 | 175.8 | -157.6 | 13.4 | 0 | 0 | 0 | 110.5 | L226 I228 L232 | L226-D230 WeakPolarHBondContact O-CB 3.47Å; L226-D230 PolarHBondContact O-N 3.13Å; I228-D230 VanDerWaalsContact C-N 3.27Å; I228-D230 PolarHBondContact O-N 3.21Å; D230-L232 PolarHBondContact O-N 3.5Å; D230-L232 VanDerWaalsContact OD1-CB 3.31Å; D230-L232 WeakPolarHBondContact OD1-CB 3.45Å; D230-L232 WeakPolarHBondContact OD1-CD1 3.27Å; D230-L232 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 231 | E | 64.9 | Low | 70 | Confident | 107 Ų | 107 | 111.9 Ų | 111.9 | 50% | 0.5 | 60% | 0.604 | S | S | . | * | trans | -65.8 | 21.3 | 172.6 | -39 | 160.6 | -152.4 | 0 | 0 | 113.1 | Y229 V233 R249 | Y229-E231 VanDerWaalsContact C-N 3.29Å; Y229-E231 PolarHBondContact O-N 3.44Å; E231-V233 VanDerWaalsContact C-N 3.25Å; E231-V233 PolarHBondContact O-N 3.09Å; E231-R249 VanDerWaalsContact CD-CZ 3.47Å; E231-R249 VanDerWaalsContact CD-NE 3.33Å; E231-R249 IonicContact OE1-CZ 3.93Å; E231-R249 IonicContact OE1-NE 2.85Å; E231-R249 IonicContact OE1-NH2 3.18Å; E231-R249 PolarHBondContact OE1-NH2 3.29Å; E231-R249 IonicContact OE2-CZ 3.26Å; E231-R249 VanDerWaalsContact OE2-CZ 3.26Å; E231-R249 IonicContact OE2-NE 2.7Å; E231-R249 PolarHBondContact OE2-NE 3.17Å; E231-R249 IonicContact OE2-NH2 3.21Å; E231-R249 PolarHBondContact OE2-NH2 3.21Å | ||
| 232 | L | 49.4 | Very low | 68.2 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | trans | -75.9 | 76 | 172 | -65 | -177.4 | 0 | 0 | 0 | 110.2 | D230 Y234 | D230-L232 PolarHBondContact O-N 3.5Å; D230-L232 VanDerWaalsContact OD1-CB 3.31Å; D230-L232 WeakPolarHBondContact OD1-CB 3.45Å; D230-L232 WeakPolarHBondContact OD1-CD1 3.27Å; D230-L232 WeakPolarHBondContact OD1-CG 3.49Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.42Å | ||
| 233 | V | 59.5 | Low | 66.2 | Low | 115 Ų | 115 | 125.9 Ų | 125.9 | 70% | 0.697 | 65% | 0.648 | S | S | * | * | trans | -73.5 | 88.8 | 163.2 | -159.5 | 0 | 0 | 0 | 0 | 107.5 | E231 C235 | E231-V233 VanDerWaalsContact C-N 3.25Å; E231-V233 PolarHBondContact O-N 3.09Å; V233-C235 PolarHBondContact O-N 3.28Å | ||
| 234 | Y | 49.8 | Very low | 64.2 | Low | 209 Ų | 209 | 130.3 Ų | 130.3 | 82% | 0.82 | 66% | 0.657 | S | S | * | * | trans | -69.1 | 83 | 171.8 | -146.5 | -86 | 0 | 0 | 0 | 108.4 | L232 N236 | L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.42Å; Y234-N236 HydrophobicContact CD1-CB 4.35Å; Y234-N236 PolarHBondContact O-N 3.43Å | ||
| 235 | C | 55.8 | Low | 62.4 | Low | 70 Ų | 70 | 131.2 Ų | 131.2 | 47% | 0.473 | 67% | 0.668 | S | S | . | * | trans | -71.5 | 80.3 | 173.1 | -153.4 | 0 | 0 | 0 | 0 | 107.2 | V233 P237 C245 | V233-C235 PolarHBondContact O-N 3.28Å; C235-P237 WeakPolarHBondContact O-CD 3.46Å; C235-P237 VanDerWaalsContact O-N 3.11Å; C235-C245 HydrophobicContact CB-CB 3.57Å; C235-C245 WeakPolarHBondContact CB-SG 3.29Å; C235-C245 WeakPolarHBondContact SG-CB 3.41Å; C235-C245 CovalentContact SG-SG 2.05Å; C235-C245 PolarHBondContact SG-SG 3.35Å | ||
| 236 | N | 59.2 | Low | 60.4 | Low | 97 Ų | 97 | 133.3 Ų | 133.3 | 52% | 0.519 | 68% | 0.679 | S | S | . | * | trans | -61.3 | 113.9 | 177.6 | -171.4 | 12.8 | 0 | 0 | 0 | 108 | Y234 L238 | Y234-N236 HydrophobicContact CD1-CB 4.35Å; Y234-N236 PolarHBondContact O-N 3.43Å; N236-L238 VanDerWaalsContact ND2-CD1 3.3Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.37Å; N236-L238 PolarHBondContact O-N 3.22Å | ||
| 237 | P | 55 | Low | 58.6 | Low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | trans | -78.2 | 72.8 | 179.7 | 17.9 | -6.5 | 0 | 0 | 0 | 109.2 | C235 | C235-P237 WeakPolarHBondContact O-CD 3.46Å; C235-P237 VanDerWaalsContact O-N 3.11Å | ||
| 238 | L | 53.4 | Low | 56.6 | Low | 137 Ų | 137 | 132.1 Ų | 132.1 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -92.1 | 105.5 | 166.3 | -73.2 | 177.6 | 0 | 0 | 0 | 109.3 | N236 | N236-L238 VanDerWaalsContact ND2-CD1 3.3Å; N236-L238 WeakPolarHBondContact ND2-CD1 3.37Å; N236-L238 PolarHBondContact O-N 3.22Å | ||
| 239 | R | 48.2 | Very low | 54.8 | Low | 249 Ų | 249 | 133.9 Ų | 133.9 | 94% | 0.94 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 41.1 | 99.7 | 162.5 | -78.8 | -179.7 | 174.4 | 166 | -1.2 | 117 | ||
| 240 | G | 50.4 | Low | 52.8 | Low | 85 Ų | 85 | 134.3 Ų | 134.3 | 88% | 0.876 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 102.3 | -15.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | R242 | G240-R242 PolarHBondContact O-N 3.03Š|
| 241 | A | 53.6 | Low | 50.7 | Low | 103 Ų | 103 | 135.7 Ų | 135.7 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -92.3 | 98.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 242 | R | 51.5 | Low | 49.7 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -77.3 | 131.8 | -179.9 | -176.1 | 170.5 | -89.6 | -144.3 | -6.2 | 110.5 | G240 | G240-R242 PolarHBondContact O-N 3.03Š| ||
| 243 | R | 51.4 | Low | 49.7 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | 80.1 | 125.9 | 170.3 | -34.7 | -166.9 | -138.1 | -148.8 | 8 | 113.5 | ||||
| 244 | R | 49.5 | Very low | 49.2 | Very low | 200 Ų | 200 | 142.7 Ų | 142.7 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 93 | 24.5 | 178.8 | 170.8 | -71.8 | -114.8 | -3.4 | 108.4 | S246 | R244-S246 PolarHBondContact O-N 3.47Š| ||
| 245 | C | 49.3 | Very low | 49.2 | Very low | 83 Ų | 83 | 139 Ų | 139 | 56% | 0.561 | 76% | 0.761 | S | S | * | * | trans | -85.7 | 90.9 | 160.9 | -73.2 | 0 | 0 | 0 | 0 | 106.7 | C235 | C235-C245 HydrophobicContact CB-CB 3.57Å; C235-C245 WeakPolarHBondContact CB-SG 3.29Å; C235-C245 WeakPolarHBondContact SG-CB 3.41Å; C235-C245 CovalentContact SG-SG 2.05Å; C235-C245 PolarHBondContact SG-SG 3.35Å | ||
| 246 | S | 45.5 | Very low | 48.8 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -132.1 | 80.8 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | R244 | R244-S246 PolarHBondContact O-N 3.47Š| ||
| 247 | S | 51.6 | Low | 48.2 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -112.5 | 108.3 | 153.8 | -159.5 | 0 | 0 | 0 | 0 | 106.7 | R249 | S247-R249 PolarHBondContact O-N 3.36Š| ||
| 248 | G | 43.2 | Very low | 47.7 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -73.6 | 90.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K250 | G248-K250 PolarHBondContact O-N 3.43Š| ||
| 249 | R | 47.9 | Very low | 47.3 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 45% | 0.449 | 80% | 0.801 | S | S | . | * | trans | -77.8 | 110.2 | 165.3 | -169.9 | -179.6 | -94.7 | -169.3 | -26.5 | 108.1 | E231 S247 T251 | E231-R249 VanDerWaalsContact CD-CZ 3.47Å; E231-R249 VanDerWaalsContact CD-NE 3.33Å; E231-R249 IonicContact OE1-CZ 3.93Å; E231-R249 IonicContact OE1-NE 2.85Å; E231-R249 IonicContact OE1-NH2 3.18Å; E231-R249 PolarHBondContact OE1-NH2 3.29Å; E231-R249 IonicContact OE2-CZ 3.26Å; E231-R249 VanDerWaalsContact OE2-CZ 3.26Å; E231-R249 IonicContact OE2-NE 2.7Å; E231-R249 PolarHBondContact OE2-NE 3.17Å; E231-R249 IonicContact OE2-NH2 3.21Å; E231-R249 PolarHBondContact OE2-NH2 3.21Å; S247-R249 PolarHBondContact O-N 3.36Å; R249-T251 PolarHBondContact O-N 3.5Å | ||
| 250 | K | 41.4 | Very low | 47.2 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -56.8 | 114.8 | 167.2 | -77.5 | 175.8 | 174.5 | -178.1 | 0 | 108.3 | G248 | G248-K250 PolarHBondContact O-N 3.43Š| ||
| 251 | T | 35.1 | Very low | 47 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 146.5 | 158.8 | 49 | 0 | 0 | 0 | 0 | 108.6 | R249 | R249-T251 PolarHBondContact O-N 3.5Š| ||
| 252 | P | 43.8 | Very low | 46.4 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 100% | 1.318 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 0 | -159.6 | 26.3 | -35.9 | 0 | 0 | 0 | 114.9 |
Retrieved 252 of 252 residues in 411 ms
(Link to these results)