| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 48 | Very low | 244 Ų | 244 | 140 Ų | 140 | 100% | 1.202 | 67% | 0.666 | S | S | * | * | 0 | 100.6 | 0 | -74.4 | 175.2 | 172.3 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.24Š| |||
| 2 | E | 39 | Very low | 48.6 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 88% | 0.879 | 65% | 0.649 | S | S | * | * | trans | -61.6 | 124.6 | 177.6 | -80.4 | 161.2 | 93.9 | 0 | 0 | 109.7 | H4 | E2-H4 PolarHBondContact O-N 2.7Š| ||
| 3 | S | 48.1 | Very low | 49 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 54% | 0.538 | 62% | 0.624 | S | S | . | * | trans | -71.5 | 94.3 | 178.4 | -50.2 | 0 | 0 | 0 | 0 | 108.4 | M1 L5 | M1-S3 PolarHBondContact O-N 3.24Å; S3-L5 PolarHBondContact O-N 3.14Å | ||
| 4 | H | 47.2 | Very low | 49.6 | Very low | 186 Ų | 186 | 127.9 Ų | 127.9 | 86% | 0.861 | 62% | 0.615 | S | S | * | * | trans | -66.3 | 75.6 | 165.9 | -100.8 | -94.8 | 0 | 0 | 0 | 108.9 | E2 D6 | E2-H4 PolarHBondContact O-N 2.7Å; H4-D6 PolarHBondContact O-N 2.86Å | ||
| 5 | L | 49.4 | Very low | 50.2 | Low | 111 Ų | 111 | 123.7 Ų | 123.7 | 58% | 0.581 | 60% | 0.601 | S | S | * | * | trans | -70 | 114.1 | 160.3 | -93.8 | 87.7 | 0 | 0 | 0 | 106.7 | S3 P7 L10 | S3-L5 PolarHBondContact O-N 3.14Å; L5-P7 WeakPolarHBondContact O-CD 3.34Å; L5-P7 VanDerWaalsContact O-N 3.11Å; L5-L10 HydrophobicContact CB-CD1 3.98Å; L5-L10 HydrophobicContact CD2-CD1 3.94Å; L5-L10 HydrophobicContact CD2-CG 4.26Å | ||
| 6 | D | 48.9 | Very low | 50.8 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | trans | -54.1 | 116.9 | 177.3 | -135.3 | -52 | 0 | 0 | 0 | 109.1 | H4 Y8 W9 L10 | H4-D6 PolarHBondContact O-N 2.86Å; D6-Y8 PolarHBondContact O-N 2.76Å; D6-W9 HydrophobicContact CB-CB 4.22Å; D6-W9 WeakPolarHBondContact O-CA 3.34Å; D6-W9 VanDerWaalsContact O-CB 3.25Å; D6-W9 WeakPolarHBondContact O-CB 3.25Å; D6-W9 PolarHBondContact O-N 2.76Å; D6-L10 PolarHBondContact O-N 3.37Å | ||
| 7 | P | 51.5 | Low | 51.5 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.1 | -23.4 | -176.2 | 22.1 | -32.2 | 0 | 0 | 0 | 112 | L5 W9 R11 | L5-P7 WeakPolarHBondContact O-CD 3.34Å; L5-P7 VanDerWaalsContact O-N 3.11Å; P7-W9 VanDerWaalsContact C-N 3.31Å; P7-W9 PolarHBondContact O-N 3.42Å; P7-R11 WeakPolarHBondContact O-CB 3.47Å; P7-R11 PolarHBondContact O-N 3.13Å; P7-R11 VanDerWaalsContact O-N 3.1Å |
| 8 | Y | 51.1 | Low | 52 | Low | 186 Ų | 186 | 119.5 Ų | 119.5 | 73% | 0.729 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.4 | -34.4 | 171.1 | -75 | -81.5 | 0 | 0 | 0 | 112.9 | D6 S12 | D6-Y8 PolarHBondContact O-N 2.76Å; Y8-S12 VanDerWaalsContact O-CB 3.24Å; Y8-S12 WeakPolarHBondContact O-CB 3.18Å; Y8-S12 PolarHBondContact O-N 2.87Å |
| 9 | W | 47 | Very low | 52.6 | Low | 119 Ų | 119 | 121.8 Ų | 121.8 | 45% | 0.451 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71 | -47 | -179.2 | -122.4 | 93.1 | 0 | 0 | 0 | 111.9 | D6 P7 R11 S12 T13 R39 | D6-W9 HydrophobicContact CB-CB 4.22Å; D6-W9 WeakPolarHBondContact O-CA 3.34Å; D6-W9 VanDerWaalsContact O-CB 3.25Å; D6-W9 WeakPolarHBondContact O-CB 3.25Å; D6-W9 PolarHBondContact O-N 2.76Å; P7-W9 VanDerWaalsContact C-N 3.31Å; P7-W9 PolarHBondContact O-N 3.42Å; W9-R11 VanDerWaalsContact C-N 3.35Å; W9-R11 PolarHBondContact O-N 3.06Å; W9-S12 PolarHBondContact O-N 3.37Å; W9-T13 WeakPolarHBondContact O-CB 3.45Å; W9-T13 PolarHBondContact O-N 3.32Å; W9-T13 PolarHBondContact O-OG1 2.87Å; W9-R39 HydrophobicContact CH2-CB 3.52Å; W9-R39 HydrophobicContact CH2-CG 3.71Å; W9-R39 HydrophobicContact CZ2-CB 4.46Å; W9-R39 HydrophobicContact CZ3-CB 4.03Å |
| 10 | L | 49.6 | Very low | 52.9 | Low | 53 Ų | 53 | 118.1 Ų | 118.1 | 28% | 0.277 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61 | -43.9 | 174.6 | -84.2 | 150.9 | 0 | 0 | 0 | 111.2 | L5 D6 R14 | L5-L10 HydrophobicContact CB-CD1 3.98Å; L5-L10 HydrophobicContact CD2-CD1 3.94Å; L5-L10 HydrophobicContact CD2-CG 4.26Å; D6-L10 PolarHBondContact O-N 3.37Å; L10-R14 VanDerWaalsContact O-CB 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.9Å |
| 11 | R | 56 | Low | 53.2 | Low | 192 Ų | 192 | 114.7 Ų | 114.7 | 73% | 0.725 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 178.3 | -172.8 | 176.6 | -88.7 | -142.5 | -2 | 112.3 | P7 W9 T15 | P7-R11 WeakPolarHBondContact O-CB 3.47Å; P7-R11 PolarHBondContact O-N 3.13Å; P7-R11 VanDerWaalsContact O-N 3.1Å; W9-R11 VanDerWaalsContact C-N 3.35Å; W9-R11 PolarHBondContact O-N 3.06Å; R11-T15 WeakPolarHBondContact O-CB 3.39Å; R11-T15 PolarHBondContact O-N 3.42Å; R11-T15 PolarHBondContact O-OG1 3.49Å |
| 12 | S | 54.4 | Low | 54.3 | Low | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | Y8 W9 T15 R16 | Y8-S12 VanDerWaalsContact O-CB 3.24Å; Y8-S12 WeakPolarHBondContact O-CB 3.18Å; Y8-S12 PolarHBondContact O-N 2.87Å; W9-S12 PolarHBondContact O-N 3.37Å; S12-T15 PolarHBondContact O-N 3.16Å; S12-R16 WeakPolarHBondContact O-CB 3.34Å; S12-R16 WeakPolarHBondContact O-CG 3.33Å; S12-R16 PolarHBondContact O-N 3.45Å |
| 13 | T | 54.5 | Low | 55.4 | Low | 52 Ų | 52 | 99.8 Ų | 99.8 | 32% | 0.319 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.3 | -43.6 | -179.9 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | W9 T15 R16 A17 | W9-T13 WeakPolarHBondContact O-CB 3.45Å; W9-T13 PolarHBondContact O-N 3.32Å; W9-T13 PolarHBondContact O-OG1 2.87Å; T13-T15 PolarHBondContact O-N 3.03Å; T13-R16 PolarHBondContact O-N 3.49Å; T13-A17 WeakPolarHBondContact O-CB 3.48Å; T13-A17 PolarHBondContact O-N 3.32Å |
| 14 | R | 56.8 | Low | 55.8 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.1 | -82.9 | -179.5 | 156.9 | 166.8 | -5.1 | 112 | L10 R16 A17 L18 E104 | L10-R14 VanDerWaalsContact O-CB 3.32Å; L10-R14 WeakPolarHBondContact O-CB 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.9Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.92Å; R14-A17 PolarHBondContact O-N 2.86Å; R14-L18 WeakPolarHBondContact O-CB 3.37Å; R14-L18 WeakPolarHBondContact O-CD1 3.49Å; R14-L18 PolarHBondContact O-N 3.27Å; R14-E104 IonicContact CZ-OE1 3.69Å; R14-E104 IonicContact NH2-OE1 2.71Å; R14-E104 PolarHBondContact NH2-OE1 3Å |
| 15 | T | 59.8 | Low | 56.3 | Low | 66 Ų | 66 | 99.9 Ų | 99.9 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | R11 S12 T13 L18 W19 | R11-T15 WeakPolarHBondContact O-CB 3.39Å; R11-T15 PolarHBondContact O-N 3.42Å; R11-T15 PolarHBondContact O-OG1 3.49Å; S12-T15 PolarHBondContact O-N 3.16Å; T13-T15 PolarHBondContact O-N 3.03Å; T15-L18 PolarHBondContact O-N 3.49Å; T15-W19 WeakPolarHBondContact O-CB 3.4Å; T15-W19 PolarHBondContact O-N 2.85Å |
| 16 | R | 59.4 | Low | 56.7 | Low | 158 Ų | 158 | 104.2 Ų | 104.2 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176.9 | -76.8 | 178 | 140 | -158.6 | -5.5 | 112.8 | S12 T13 R14 W19 L20 | S12-R16 WeakPolarHBondContact O-CB 3.34Å; S12-R16 WeakPolarHBondContact O-CG 3.33Å; S12-R16 PolarHBondContact O-N 3.45Å; T13-R16 PolarHBondContact O-N 3.49Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 2.92Å; R16-W19 PolarHBondContact O-N 3.22Å; R16-L20 WeakPolarHBondContact O-CD1 3.4Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.47Å; R16-L20 PolarHBondContact O-N 2.87Å |
| 17 | A | 61.6 | Low | 56.8 | Low | 29 Ų | 29 | 101.7 Ų | 101.7 | 24% | 0.24 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T13 R14 L20 L21 L100 | T13-A17 WeakPolarHBondContact O-CB 3.48Å; T13-A17 PolarHBondContact O-N 3.32Å; R14-A17 PolarHBondContact O-N 2.86Å; A17-L20 PolarHBondContact O-N 2.78Å; A17-L21 PolarHBondContact O-N 2.94Å; A17-L100 HydrophobicContact CB-CD2 4.24Å |
| 18 | L | 61.7 | Low | 56.6 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -45 | 173.7 | -85.1 | 155.5 | 0 | 0 | 0 | 111.7 | R14 T15 L20 L21 V22 | R14-L18 WeakPolarHBondContact O-CB 3.37Å; R14-L18 WeakPolarHBondContact O-CD1 3.49Å; R14-L18 PolarHBondContact O-N 3.27Å; T15-L18 PolarHBondContact O-N 3.49Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.35Å; L18-L21 PolarHBondContact O-N 2.57Å; L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 3.32Å |
| 19 | W | 62.3 | Low | 56.6 | Low | 163 Ų | 163 | 103.4 Ų | 103.4 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -40.1 | 176.3 | -91.4 | 97.3 | 0 | 0 | 0 | 112.4 | T15 R16 V22 I23 | T15-W19 WeakPolarHBondContact O-CB 3.4Å; T15-W19 PolarHBondContact O-N 2.85Å; R16-W19 PolarHBondContact O-N 3.22Å; W19-V22 PolarHBondContact O-N 3.14Å; W19-I23 WeakPolarHBondContact O-CB 3.21Å; W19-I23 WeakPolarHBondContact O-CD1 3.5Å; W19-I23 WeakPolarHBondContact O-CG1 3.36Å; W19-I23 PolarHBondContact O-N 3.37Å |
| 20 | L | 59.4 | Low | 56.3 | Low | 48 Ų | 48 | 102.6 Ų | 102.6 | 25% | 0.251 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.6 | -73.3 | 160.3 | 0 | 0 | 0 | 111.9 | R16 A17 L18 I23 A24 I36 | R16-L20 WeakPolarHBondContact O-CD1 3.4Å; R16-L20 VanDerWaalsContact O-CG 3.29Å; R16-L20 WeakPolarHBondContact O-CG 3.47Å; R16-L20 PolarHBondContact O-N 2.87Å; A17-L20 PolarHBondContact O-N 2.78Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 3.35Å; L20-I23 PolarHBondContact O-N 3.21Å; L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 3.04Å; L20-I36 HydrophobicContact CB-CD1 4.3Å; L20-I36 HydrophobicContact CD1-CB 4.28Å; L20-I36 HydrophobicContact CD1-CD1 3.79Å; L20-I36 HydrophobicContact CD1-CG1 3.67Å; L20-I36 HydrophobicContact CD1-CG2 3.78Å; L20-I36 HydrophobicContact CD2-CG1 4.34Å; L20-I36 HydrophobicContact CG-CD1 4.44Å |
| 21 | L | 60.2 | Low | 56.1 | Low | 47 Ų | 47 | 105 Ų | 105 | 25% | 0.246 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 172.8 | -78.9 | 165.9 | 0 | 0 | 0 | 112.1 | A17 L18 I23 A24 R25 L100 | A17-L21 PolarHBondContact O-N 2.94Å; L18-L21 PolarHBondContact O-N 2.57Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 3.21Å; L21-A24 PolarHBondContact O-N 2.64Å; L21-R25 PolarHBondContact O-N 3.01Å; L21-L100 HydrophobicContact CD1-CD1 3.68Å |
| 22 | V | 63.5 | Low | 55.4 | Low | 61 Ų | 61 | 102.1 Ų | 102.1 | 37% | 0.37 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | L18 W19 R25 R26 | L18-V22 VanDerWaalsContact O-CG2 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.45Å; L18-V22 PolarHBondContact O-N 3.32Å; W19-V22 PolarHBondContact O-N 3.14Å; V22-R25 PolarHBondContact O-N 3.38Å; V22-R26 PolarHBondContact O-N 3.5Å |
| 23 | I | 60.3 | Low | 54.9 | Low | 58 Ų | 58 | 102.1 Ų | 102.1 | 30% | 0.297 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.8 | -70.3 | 164.5 | 0 | 0 | 0 | 111 | W19 L20 L21 R25 R26 | W19-I23 WeakPolarHBondContact O-CB 3.21Å; W19-I23 WeakPolarHBondContact O-CD1 3.5Å; W19-I23 WeakPolarHBondContact O-CG1 3.36Å; W19-I23 PolarHBondContact O-N 3.37Å; L20-I23 PolarHBondContact O-N 3.21Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-I23 PolarHBondContact O-N 3.21Å; I23-R25 VanDerWaalsContact C-N 3.34Å; I23-R25 PolarHBondContact O-N 2.91Å; I23-R26 PolarHBondContact O-N 3.33Å |
| 24 | A | 57 | Low | 54.3 | Low | 78 Ų | 78 | 103.5 Ų | 103.5 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66 | -33.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L20 L21 | L20-A24 WeakPolarHBondContact O-CB 3.37Å; L20-A24 PolarHBondContact O-N 3.04Å; L21-A24 PolarHBondContact O-N 2.64Å |
| 25 | R | 58.8 | Low | 53.8 | Low | 187 Ų | 187 | 99.3 Ų | 99.3 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.9 | -12.9 | 179.8 | -70.1 | -164.4 | -178.7 | 178.4 | 3.6 | 115 | L21 V22 I23 G27 E97 | L21-R25 PolarHBondContact O-N 3.01Å; V22-R25 PolarHBondContact O-N 3.38Å; I23-R25 VanDerWaalsContact C-N 3.34Å; I23-R25 PolarHBondContact O-N 2.91Å; R25-G27 PolarHBondContact O-N 3.33Å; R25-E97 IonicContact NH2-OE1 3.16Å; R25-E97 PolarHBondContact NH2-OE1 3.49Å; R25-E97 VanDerWaalsContact NH2-OE1 3.16Å |
| 26 | R | 56.2 | Low | 53.3 | Low | 201 Ų | 201 | 97.8 Ų | 97.8 | 76% | 0.758 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -88.2 | 16.3 | -173.2 | -88.8 | -171.4 | 178.1 | 173.2 | 1.7 | 116.8 | V22 I23 | V22-R26 PolarHBondContact O-N 3.5Å; I23-R26 PolarHBondContact O-N 3.33Å |
| 27 | G | 51.2 | Low | 52.6 | Low | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | trans | 113.3 | 177.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R25 R29 | R25-G27 PolarHBondContact O-N 3.33Å; G27-R29 PolarHBondContact O-N 2.96Å | ||
| 28 | P | 48.8 | Very low | 52 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 93% | 0.929 | 52% | 0.522 | S | S | * | . | trans | -72.9 | 91.9 | -165.3 | 30.6 | -33 | 0 | 0 | 0 | 109.9 | ||||
| 29 | R | 49.4 | Very low | 51.1 | Low | 169 Ų | 169 | 96.3 Ų | 96.3 | 64% | 0.638 | 52% | 0.519 | S | S | * | . | trans | -81.1 | 139.4 | 170 | -72.6 | -173.1 | 174.5 | -161.5 | -2.2 | 109.2 | G27 | G27-R29 PolarHBondContact O-N 2.96Š| ||
| 30 | P | 42 | Very low | 50.2 | Low | 102 Ų | 102 | 90 Ų | 90 | 66% | 0.662 | 50% | 0.5 | S | S | * | . | trans | -54.4 | 149 | 174.4 | 25 | -33.6 | 0 | 0 | 0 | 109.6 | I32 | P30-I32 HydrophobicContact CG-CD1 4.45Å; P30-I32 PolarHBondContact O-N 2.91Å | ||
| 31 | A | 45.9 | Very low | 49.4 | Very low | 104 Ų | 104 | 92.7 Ų | 92.7 | 86% | 0.86 | 52% | 0.52 | S | S | * | . | trans | -57.6 | 68.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 32 | I | 41.3 | Very low | 48.8 | Very low | 131 Ų | 131 | 93.8 Ų | 93.8 | 67% | 0.672 | 53% | 0.526 | S | S | * | . | trans | -94.6 | 99.7 | 168.3 | -59.7 | 168.9 | 0 | 0 | 0 | 104.3 | P30 T34 | P30-I32 HydrophobicContact CG-CD1 4.45Å; P30-I32 PolarHBondContact O-N 2.91Å; I32-T34 PolarHBondContact O-N 3.32Å | ||
| 33 | G | 42.1 | Very low | 47.7 | Very low | 67 Ų | 67 | 91.6 Ų | 91.6 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | trans | -54.5 | 108.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 34 | T | 43.7 | Very low | 47.1 | Very low | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | trans | -91.7 | 105.4 | 175.7 | 36.2 | 0 | 0 | 0 | 0 | 107.7 | I32 I36 | I32-T34 PolarHBondContact O-N 3.32Å; T34-I36 PolarHBondContact O-N 2.93Å | ||
| 35 | S | 44.9 | Very low | 46.7 | Very low | 44 Ų | 44 | 95.2 Ų | 95.2 | 31% | 0.308 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.3 | 172.5 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | R72 | S35-R72 PolarHBondContact OG-NE 3.43Å |
| 36 | I | 49.1 | Very low | 46.1 | Very low | 34 Ų | 34 | 94.1 Ų | 94.1 | 17% | 0.174 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117 | 173.3 | -53.5 | 178 | 0 | 0 | 0 | 106.6 | L20 T34 I38 L73 | L20-I36 HydrophobicContact CB-CD1 4.3Å; L20-I36 HydrophobicContact CD1-CB 4.28Å; L20-I36 HydrophobicContact CD1-CD1 3.79Å; L20-I36 HydrophobicContact CD1-CG1 3.67Å; L20-I36 HydrophobicContact CD1-CG2 3.78Å; L20-I36 HydrophobicContact CD2-CG1 4.34Å; L20-I36 HydrophobicContact CG-CD1 4.44Å; T34-I36 PolarHBondContact O-N 2.93Å; I36-I38 HydrophobicContact CG2-CG1 3.94Å; I36-I38 PolarHBondContact O-N 3.46Å; I36-L73 PolarHBondContact N-O 2.7Å; I36-L73 VanDerWaalsContact N-O 3.11Å; I36-L73 WeakPolarHBondContact O-CB 3.46Å; I36-L73 PolarHBondContact O-N 2.91Å |
| 37 | I | 45.4 | Very low | 45.5 | Very low | 79 Ų | 79 | 96.8 Ų | 96.8 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 100.5 | 173.7 | -64.1 | 172.7 | 0 | 0 | 0 | 107.2 | R39 V70 F71 R72 | I37-R39 HydrophobicContact CG2-CG 4.21Å; I37-V70 HydrophobicContact CD1-CG1 4.35Å; I37-V70 HydrophobicContact CG1-CG1 4.47Å; I37-V70 HydrophobicContact CG2-CG1 3.4Å; I37-V70 VanDerWaalsContact CG2-CG1 3.4Å; I37-F71 WeakPolarHBondContact CA-O 3.4Å; I37-R72 HydrophobicContact CG1-CG 4.34Å |
| 38 | I | 48.8 | Very low | 45 | Very low | 48 Ų | 48 | 98.8 Ų | 98.8 | 25% | 0.246 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 115 | 168.9 | -55.7 | 178.1 | 0 | 0 | 0 | 105.8 | I36 S40 F71 F103 | I36-I38 HydrophobicContact CG2-CG1 3.94Å; I36-I38 PolarHBondContact O-N 3.46Å; I38-S40 PolarHBondContact O-N 3.21Å; I38-F71 PolarHBondContact N-O 3.22Å; I38-F103 HydrophobicContact CG2-CZ 4.16Å |
| 39 | R | 44.1 | Very low | 44.8 | Very low | 137 Ų | 137 | 102.3 Ų | 102.3 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | trans | -85.9 | 106.5 | 172.1 | -49.4 | -167.6 | -164.5 | 158.9 | -5.4 | 107 | W9 I37 | W9-R39 HydrophobicContact CH2-CB 3.52Å; W9-R39 HydrophobicContact CH2-CG 3.71Å; W9-R39 HydrophobicContact CZ2-CB 4.46Å; W9-R39 HydrophobicContact CZ3-CB 4.03Å; I37-R39 HydrophobicContact CG2-CG 4.21Å | ||
| 40 | S | 42.4 | Very low | 44.5 | Very low | 31 Ų | 31 | 102.8 Ų | 102.8 | 22% | 0.217 | 55% | 0.545 | C | S | . | . | trans | -109 | 138.8 | 171.5 | -35.3 | 0 | 0 | 0 | 0 | 107.9 | I38 I42 | I38-S40 PolarHBondContact O-N 3.21Å; S40-I42 PolarHBondContact O-N 2.95Å; S40-I42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | P | 43.3 | Very low | 44.5 | Very low | 104 Ų | 104 | 102.3 Ų | 102.3 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | trans | -64.5 | 111.6 | 168.3 | 26.6 | -31 | 0 | 0 | 0 | 108.5 | ||||
| 42 | I | 46.5 | Very low | 44.5 | Very low | 70 Ų | 70 | 103.6 Ų | 103.6 | 36% | 0.359 | 54% | 0.541 | S | S | . | . | trans | -96.6 | 129.5 | 170.3 | -53.5 | 162 | 0 | 0 | 0 | 107.1 | S40 M69 F71 | S40-I42 PolarHBondContact O-N 2.95Å; S40-I42 VanDerWaalsContact O-N 3.08Å; I42-M69 HydrophobicContact CD1-CB 4.01Å; I42-F71 HydrophobicContact CD1-CD1 4.27Å; I42-F71 HydrophobicContact CD1-CD2 3.63Å; I42-F71 HydrophobicContact CD1-CE1 3.7Å; I42-F71 HydrophobicContact CD1-CE2 3.03Å; I42-F71 HydrophobicContact CD1-CG 4.24Å; I42-F71 HydrophobicContact CD1-CZ 3.04Å; I42-F71 HydrophobicContact CG1-CD2 3.88Å; I42-F71 HydrophobicContact CG1-CE2 3.07Å; I42-F71 HydrophobicContact CG1-CZ 3.45Å; I42-F71 VanDerWaalsContact CG1-CZ 3.45Å | ||
| 43 | C | 41.9 | Very low | 44.7 | Very low | 15 Ų | 15 | 103 Ų | 103 | 10% | 0.101 | 54% | 0.544 | C | S | . | . | trans | -83.5 | 134.8 | 170.9 | -74.7 | 0 | 0 | 0 | 0 | 112.2 | V45 C60 C65 | C43-V45 PolarHBondContact O-N 3.46Å; C43-C60 HydrophobicContact CB-CB 3.45Å; C43-C60 VanDerWaalsContact CB-CB 3.45Å; C43-C60 WeakPolarHBondContact CB-SG 3.32Å; C43-C60 WeakPolarHBondContact SG-CA 3.44Å; C43-C60 WeakPolarHBondContact SG-CB 3.49Å; C43-C60 CovalentContact SG-SG 1.97Å; C43-C60 PolarHBondContact SG-SG 2.9Å; C43-C65 HydrophobicContact CB-CB 4.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.29Å; C43-C65 PolarHBondContact SG-SG 3.48Å | ||
| 44 | P | 46.9 | Very low | 44.7 | Very low | 86 Ų | 86 | 104.5 Ų | 104.5 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | trans | -61.1 | 109.7 | 177.9 | 25.5 | -32.2 | 0 | 0 | 0 | 108.3 | K46 C65 | P44-K46 PolarHBondContact O-N 3.49Å; P44-C65 VanDerWaalsContact CD-SG 3.55Å | ||
| 45 | V | 49.4 | Very low | 44.3 | Very low | 126 Ų | 126 | 104.6 Ų | 104.6 | 76% | 0.764 | 55% | 0.547 | S | S | * | . | trans | -68.6 | 82.2 | 169.8 | -168.3 | 0 | 0 | 0 | 0 | 106.7 | C43 R47 | C43-V45 PolarHBondContact O-N 3.46Å; V45-R47 PolarHBondContact O-N 2.95Å | ||
| 46 | K | 44.6 | Very low | 44.2 | Very low | 165 Ų | 165 | 106.4 Ų | 106.4 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | trans | -55.3 | 130 | 162 | -83.2 | -171.4 | 176.5 | -178.6 | 0 | 106.2 | P44 L48 | P44-K46 PolarHBondContact O-N 3.49Å; K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 VanDerWaalsContact O-CB 3.3Å; K46-L48 WeakPolarHBondContact O-CB 3.39Å; K46-L48 PolarHBondContact O-N 3.3Å | ||
| 47 | R | 44.4 | Very low | 43.8 | Very low | 256 Ų | 256 | 111.1 Ų | 111.1 | 97% | 0.966 | 59% | 0.589 | S | S | * | * | trans | -43 | 81.7 | -178.2 | -69.3 | -174.9 | -179.6 | -158.7 | 1.6 | 113.3 | V45 | V45-R47 PolarHBondContact O-N 2.95Š| ||
| 48 | L | 39.8 | Very low | 43.8 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 44% | 0.44 | 60% | 0.599 | S | S | . | * | trans | -110.1 | 111.3 | -179.5 | -99.9 | 147.8 | 0 | 0 | 0 | 104.7 | K46 W50 | K46-L48 VanDerWaalsContact C-N 3.26Å; K46-L48 VanDerWaalsContact O-CB 3.3Å; K46-L48 WeakPolarHBondContact O-CB 3.39Å; K46-L48 PolarHBondContact O-N 3.3Å; L48-W50 VanDerWaalsContact CD2-CD1 3.49Å; L48-W50 PolarHBondContact O-N 2.9Å | ||
| 49 | K | 46 | Very low | 43.4 | Very low | 216 Ų | 216 | 114.8 Ų | 114.8 | 94% | 0.939 | 61% | 0.609 | S | S | * | * | trans | -59.3 | 70.4 | 171.8 | -95.4 | 179.7 | 169.6 | -179.7 | 0 | 109.9 | ||||
| 50 | W | 42 | Very low | 43.4 | Very low | 179 Ų | 179 | 109.9 Ų | 109.9 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | trans | -126.1 | 142.2 | 177.3 | -67.6 | 78.4 | 0 | 0 | 0 | 110 | L48 | L48-W50 VanDerWaalsContact CD2-CD1 3.49Å; L48-W50 PolarHBondContact O-N 2.9Å | ||
| 51 | P | 42.6 | Very low | 43.6 | Very low | 92 Ų | 92 | 118.5 Ų | 118.5 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | trans | -58.9 | 144.7 | -178.3 | 23.2 | -31.8 | 0 | 0 | 0 | 111 | T53 | P51-T53 PolarHBondContact O-N 3.5Š| ||
| 52 | P | 46.5 | Very low | 43.9 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 85% | 0.851 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 18.4 | -157.5 | 29.5 | -35.4 | 0 | 0 | 0 | 116.1 | ||
| 53 | T | 44.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -8.4 | -161 | 42.9 | 0 | 0 | 0 | 0 | 117.3 | P51 | P51-T53 PolarHBondContact O-N 3.5Š|
| 54 | S | 41.5 | Very low | 43.7 | Very low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -139.3 | -2.8 | -167.7 | -48.6 | 0 | 0 | 0 | 0 | 118.6 | ||
| 55 | C | 37.3 | Very low | 43.2 | Very low | 82 Ų | 82 | 121.7 Ų | 121.7 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | trans | -131.2 | 9.2 | -165.5 | -80.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 56 | A | 42.7 | Very low | 42.8 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.6 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C60 | A56-C60 WeakPolarHBondContact O-CB 3.41Å |
| 57 | L | 40.7 | Very low | 42.5 | Very low | 133 Ų | 133 | 118 Ų | 118 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.2 | -39.1 | -174.8 | -89.6 | 142.6 | 0 | 0 | 0 | 113.6 | C60 | L57-C60 WeakPolarHBondContact O-CB 3.45Å |
| 58 | S | 45.4 | Very low | 42.3 | Very low | 87 Ų | 87 | 114.6 Ų | 114.6 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.9 | -37.3 | -177.2 | -47.8 | 0 | 0 | 0 | 0 | 112.9 | C60 R61 | S58-C60 PolarHBondContact O-N 3.05Å; S58-R61 PolarHBondContact O-N 2.71Å |
| 59 | Y | 39.7 | Very low | 42.3 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 46% | 0.459 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.3 | -29.1 | 179.1 | -159.4 | -95.7 | 0 | 0 | 0 | 112 | R61 A62 | Y59-R61 VanDerWaalsContact C-N 3.25Å; Y59-R61 PolarHBondContact O-N 3.42Å; Y59-A62 PolarHBondContact O-N 3.28Å |
| 60 | C | 43.3 | Very low | 42 | Very low | 34 Ų | 34 | 111.7 Ų | 111.7 | 23% | 0.23 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -69 | -26.1 | -178.9 | -158 | 0 | 0 | 0 | 0 | 113.6 | C43 A56 L57 S58 | C43-C60 HydrophobicContact CB-CB 3.45Å; C43-C60 VanDerWaalsContact CB-CB 3.45Å; C43-C60 WeakPolarHBondContact CB-SG 3.32Å; C43-C60 WeakPolarHBondContact SG-CA 3.44Å; C43-C60 WeakPolarHBondContact SG-CB 3.49Å; C43-C60 CovalentContact SG-SG 1.97Å; C43-C60 PolarHBondContact SG-SG 2.9Å; A56-C60 WeakPolarHBondContact O-CB 3.41Å; L57-C60 WeakPolarHBondContact O-CB 3.45Å; S58-C60 PolarHBondContact O-N 3.05Å |
| 61 | R | 47.8 | Very low | 41.8 | Very low | 213 Ų | 213 | 108.2 Ų | 108.2 | 80% | 0.804 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -18.2 | -178.6 | -143 | 176.2 | -169.5 | 154.5 | 2.9 | 113.3 | S58 Y59 | S58-R61 PolarHBondContact O-N 2.71Å; Y59-R61 VanDerWaalsContact C-N 3.25Å; Y59-R61 PolarHBondContact O-N 3.42Å |
| 62 | A | 47.8 | Very low | 41.5 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 65% | 0.653 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -25.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y59 | Y59-A62 PolarHBondContact O-N 3.28Š|
| 63 | N | 43.1 | Very low | 41.3 | Very low | 92 Ų | 92 | 110.1 Ų | 110.1 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -115.5 | 133.7 | 176.9 | -85.5 | 3.4 | 0 | 0 | 0 | 109.9 | C65 | N63-C65 VanDerWaalsContact C-N 3.27Å; N63-C65 PolarHBondContact O-N 3.31Å; N63-C65 PolarHBondContact O-SG 2.91Å |
| 64 | S | 41.3 | Very low | 41.1 | Very low | 132 Ų | 132 | 108 Ų | 108 | 92% | 0.923 | 59% | 0.59 | S | S | * | * | trans | -52.7 | 78.4 | 173.8 | 31.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 65 | C | 37.9 | Very low | 41.3 | Very low | 39 Ų | 39 | 105.9 Ų | 105.9 | 26% | 0.264 | 57% | 0.571 | S | S | . | * | trans | -85.5 | 121.1 | -177.5 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | C43 P44 N63 | C43-C65 HydrophobicContact CB-CB 4.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.29Å; C43-C65 PolarHBondContact SG-SG 3.48Å; P44-C65 VanDerWaalsContact CD-SG 3.55Å; N63-C65 VanDerWaalsContact C-N 3.27Å; N63-C65 PolarHBondContact O-N 3.31Å; N63-C65 PolarHBondContact O-SG 2.91Å | ||
| 66 | D | 40.1 | Very low | 41.4 | Very low | 134 Ų | 134 | 107.6 Ų | 107.6 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | trans | -59.1 | 120.6 | 178.8 | -147.8 | -40 | 0 | 0 | 0 | 110.9 | Y68 | D66-Y68 PolarHBondContact O-N 3.45Å; D66-Y68 VanDerWaalsContact O-N 3.16Å | ||
| 67 | P | 39.4 | Very low | 41.4 | Very low | 78 Ų | 78 | 108.6 Ų | 108.6 | 51% | 0.506 | 57% | 0.572 | S | S | . | * | trans | -93.3 | 39.4 | -157 | 37.1 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 68 | Y | 38.4 | Very low | 41.3 | Very low | 185 Ų | 185 | 109.3 Ų | 109.3 | 73% | 0.725 | 58% | 0.576 | S | S | * | * | trans | -132.8 | 73.6 | -175.4 | -57.4 | -70.9 | 0 | 0 | 0 | 114 | D66 | D66-Y68 PolarHBondContact O-N 3.45Å; D66-Y68 VanDerWaalsContact O-N 3.16Å | ||
| 69 | M | 40.4 | Very low | 40.9 | Very low | 143 Ų | 143 | 110 Ų | 110 | 70% | 0.704 | 58% | 0.581 | S | S | * | * | trans | -127.3 | 124.1 | 161 | -86.1 | -91.7 | 168.8 | 0 | 0 | 109.4 | I42 | I42-M69 HydrophobicContact CD1-CB 4.01Š| ||
| 70 | V | 39.4 | Very low | 40.7 | Very low | 97 Ų | 97 | 106.4 Ų | 106.4 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | trans | -90.1 | 108.6 | -170.9 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | I37 | I37-V70 HydrophobicContact CD1-CG1 4.35Å; I37-V70 HydrophobicContact CG1-CG1 4.47Å; I37-V70 HydrophobicContact CG2-CG1 3.4Å; I37-V70 VanDerWaalsContact CG2-CG1 3.4Å | ||
| 71 | F | 39.1 | Very low | 40.6 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 47% | 0.465 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.8 | 166.8 | -77.7 | -65.4 | 0 | 0 | 0 | 110.4 | I37 I38 I42 | I37-F71 WeakPolarHBondContact CA-O 3.4Å; I38-F71 PolarHBondContact N-O 3.22Å; I42-F71 HydrophobicContact CD1-CD1 4.27Å; I42-F71 HydrophobicContact CD1-CD2 3.63Å; I42-F71 HydrophobicContact CD1-CE1 3.7Å; I42-F71 HydrophobicContact CD1-CE2 3.03Å; I42-F71 HydrophobicContact CD1-CG 4.24Å; I42-F71 HydrophobicContact CD1-CZ 3.04Å; I42-F71 HydrophobicContact CG1-CD2 3.88Å; I42-F71 HydrophobicContact CG1-CE2 3.07Å; I42-F71 HydrophobicContact CG1-CZ 3.45Å; I42-F71 VanDerWaalsContact CG1-CZ 3.45Å |
| 72 | R | 36.3 | Very low | 40.4 | Very low | 173 Ų | 173 | 110.4 Ų | 110.4 | 65% | 0.653 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 100.5 | 172.6 | -167.5 | 175.1 | -179.6 | -158.9 | -1.1 | 108 | S35 I37 S74 | S35-R72 PolarHBondContact OG-NE 3.43Å; I37-R72 HydrophobicContact CG1-CG 4.34Å; R72-S74 PolarHBondContact O-N 2.97Å |
| 73 | L | 41.2 | Very low | 40.4 | Very low | 89 Ų | 89 | 115 Ų | 115 | 47% | 0.466 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 101.1 | 171.8 | -164.6 | 77.6 | 0 | 0 | 0 | 107.7 | I36 I75 | I36-L73 PolarHBondContact N-O 2.7Å; I36-L73 VanDerWaalsContact N-O 3.11Å; I36-L73 WeakPolarHBondContact O-CB 3.46Å; I36-L73 PolarHBondContact O-N 2.91Å; L73-I75 HydrophobicContact CD2-CD1 4.13Å; L73-I75 HydrophobicContact CD2-CG1 4.18Å; L73-I75 HydrophobicContact CG-CG1 4.29Å; L73-I75 PolarHBondContact O-N 3.34Å |
| 74 | S | 39.7 | Very low | 40.6 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 52% | 0.517 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 96.5 | 175.8 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | R72 V76 | R72-S74 PolarHBondContact O-N 2.97Å; S74-V76 PolarHBondContact O-N 3.44Å |
| 75 | I | 46.2 | Very low | 40.6 | Very low | 56 Ų | 56 | 120.1 Ų | 120.1 | 29% | 0.287 | 62% | 0.621 | S | S | . | * | trans | -83.2 | 101.6 | 170.6 | -55.8 | 175.7 | 0 | 0 | 0 | 107.1 | L73 L77 L96 | L73-I75 HydrophobicContact CD2-CD1 4.13Å; L73-I75 HydrophobicContact CD2-CG1 4.18Å; L73-I75 HydrophobicContact CG-CG1 4.29Å; L73-I75 PolarHBondContact O-N 3.34Å; I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.18Å; I75-L77 PolarHBondContact O-N 2.91Å; I75-L96 HydrophobicContact CD1-CD1 3.78Å | ||
| 76 | V | 39.3 | Very low | 40.9 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | trans | -80.7 | 96.1 | 171.1 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | S74 N78 | S74-V76 PolarHBondContact O-N 3.44Å; V76-N78 HydrophobicContact CG1-CB 4.46Å; V76-N78 PolarHBondContact O-N 3.4Å | ||
| 77 | L | 43.8 | Very low | 41 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | trans | -72.1 | 84 | 168.3 | -69.4 | 171 | 0 | 0 | 0 | 108.3 | I75 S79 L89 | I75-L77 HydrophobicContact CG2-CD2 4.19Å; I75-L77 HydrophobicContact CG2-CG 4.18Å; I75-L77 PolarHBondContact O-N 2.91Å; L77-S79 PolarHBondContact O-N 3.49Å; L77-L89 HydrophobicContact CD2-CD2 4.5Å | ||
| 78 | N | 37.2 | Very low | 41.3 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -75.8 | 78.2 | 170.9 | -140.2 | -0.2 | 0 | 0 | 0 | 107.6 | V76 G80 | V76-N78 HydrophobicContact CG1-CB 4.46Å; V76-N78 PolarHBondContact O-N 3.4Å; N78-G80 PolarHBondContact O-N 3.4Å | ||
| 79 | S | 37.9 | Very low | 41.7 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | trans | -72.2 | 74.6 | 165.4 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | L77 K81 | L77-S79 PolarHBondContact O-N 3.49Å; S79-K81 PolarHBondContact O-N 3Å | ||
| 80 | G | 34.2 | Very low | 42 | Very low | 43 Ų | 43 | 117.7 Ų | 117.7 | 44% | 0.443 | 63% | 0.628 | S | S | . | * | trans | -50.6 | 132.1 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | N78 D82 | N78-G80 PolarHBondContact O-N 3.4Å; G80-D82 PolarHBondContact O-N 3.11Å | ||
| 81 | K | 41.8 | Very low | 42.3 | Very low | 207 Ų | 207 | 118.2 Ų | 118.2 | 90% | 0.9 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -62.5 | 24.5 | -179.1 | -100.6 | 178.5 | 171.8 | 177.9 | 0 | 114.1 | S79 | S79-K81 PolarHBondContact O-N 3Š|
| 82 | D | 43.6 | Very low | 42.8 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 66% | 0.663 | 62% | 0.618 | S | S | * | * | trans | -96.2 | 107.3 | 179.3 | -63.2 | -35.1 | 0 | 0 | 0 | 108.4 | G80 R84 | G80-D82 PolarHBondContact O-N 3.11Å; D82-R84 PolarHBondContact O-N 3.49Å | ||
| 83 | N | 48.6 | Very low | 43.5 | Very low | 176 Ų | 176 | 108.7 Ų | 108.7 | 94% | 0.941 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 32.3 | 175.8 | -95.6 | -20.4 | 0 | 0 | 0 | 114.1 | ||
| 84 | R | 46.7 | Very low | 44.1 | Very low | 242 Ų | 242 | 107.3 Ų | 107.3 | 91% | 0.913 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 0.8 | -176.3 | -75.2 | -170.3 | 177.9 | 170.1 | 0.5 | 116.3 | D82 | D82-R84 PolarHBondContact O-N 3.49Š|
| 85 | T | 40.9 | Very low | 44.6 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 55% | 0.546 | 60% | 0.604 | S | S | . | * | trans | -116 | 54.2 | -175.4 | 6.3 | 0 | 0 | 0 | 0 | 114 | G87 | T85-G87 PolarHBondContact O-N 2.76Å; T85-G87 VanDerWaalsContact O-N 3.14Å | ||
| 86 | K | 45.1 | Very low | 44.9 | Very low | 201 Ų | 201 | 109 Ų | 109 | 87% | 0.874 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -7.1 | 167.2 | -79.4 | -174.6 | 177.4 | -179.9 | 0 | 114 | T90 | K86-T90 PolarHBondContact O-OG1 2.95Š|
| 87 | G | 41.7 | Very low | 45.4 | Very low | 51 Ų | 51 | 107.5 Ų | 107.5 | 53% | 0.526 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.8 | -16.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | T85 | T85-G87 PolarHBondContact O-N 2.76Å; T85-G87 VanDerWaalsContact O-N 3.14Å |
| 88 | S | 45.9 | Very low | 45.5 | Very low | 82 Ų | 82 | 107.1 Ų | 107.1 | 57% | 0.573 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -88.4 | -30.5 | -172.4 | -167.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 89 | L | 45.7 | Very low | 46.1 | Very low | 111 Ų | 111 | 103.5 Ų | 103.5 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.7 | -29.8 | 174.7 | -90.4 | 109.8 | 0 | 0 | 0 | 113 | L77 A92 A93 | L77-L89 HydrophobicContact CD2-CD2 4.5Å; L89-A92 PolarHBondContact O-N 3.31Å; L89-A93 PolarHBondContact O-N 3.43Å |
| 90 | T | 47 | Very low | 46.4 | Very low | 83 Ų | 83 | 101.9 Ų | 101.9 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.5 | -45.4 | 178.8 | -29.3 | 0 | 0 | 0 | 0 | 110 | K86 A92 A93 T94 | K86-T90 PolarHBondContact O-OG1 2.95Å; T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 2.68Å; T90-A93 PolarHBondContact O-N 2.97Å; T90-A93 VanDerWaalsContact O-N 3.13Å; T90-T94 PolarHBondContact O-N 3.49Å; T90-T94 PolarHBondContact O-OG1 2.74Å |
| 91 | N | 46.7 | Very low | 46.8 | Very low | 108 Ų | 108 | 104.2 Ų | 104.2 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.4 | -37.4 | 176.6 | -81.2 | 8.3 | 0 | 0 | 0 | 113.2 | A93 T94 L95 | N91-A93 VanDerWaalsContact C-N 3.34Å; N91-T94 WeakPolarHBondContact CA-OG1 3.43Å; N91-T94 PolarHBondContact O-OG1 2.98Å; N91-L95 VanDerWaalsContact O-CB 3.25Å; N91-L95 WeakPolarHBondContact O-CB 3.34Å; N91-L95 WeakPolarHBondContact O-CD1 3.37Å; N91-L95 WeakPolarHBondContact O-CG 3.48Å; N91-L95 PolarHBondContact O-N 2.96Å |
| 92 | A | 48.3 | Very low | 46.7 | Very low | 33 Ų | 33 | 98.1 Ų | 98.1 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L89 T90 L96 | L89-A92 PolarHBondContact O-N 3.31Å; T90-A92 VanDerWaalsContact C-N 3.33Å; T90-A92 PolarHBondContact O-N 2.68Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 PolarHBondContact O-N 3.34Å |
| 93 | A | 52.8 | Low | 46.5 | Very low | 46 Ų | 46 | 97.4 Ų | 97.4 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.3 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L89 T90 N91 L96 E97 | L89-A93 PolarHBondContact O-N 3.43Å; T90-A93 PolarHBondContact O-N 2.97Å; T90-A93 VanDerWaalsContact O-N 3.13Å; N91-A93 VanDerWaalsContact C-N 3.34Å; A93-L96 PolarHBondContact O-N 1.97Å; A93-E97 WeakPolarHBondContact O-CG 2.95Å; A93-E97 PolarHBondContact O-N 2.94Å |
| 94 | T | 53.3 | Low | 45.9 | Very low | 60 Ų | 60 | 94.5 Ų | 94.5 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 172.7 | 11.9 | 0 | 0 | 0 | 0 | 111.5 | T90 N91 L96 E97 D98 | T90-T94 PolarHBondContact O-N 3.49Å; T90-T94 PolarHBondContact O-OG1 2.74Å; N91-T94 WeakPolarHBondContact CA-OG1 3.43Å; N91-T94 PolarHBondContact O-OG1 2.98Å; T94-L96 VanDerWaalsContact C-N 3.28Å; T94-L96 PolarHBondContact O-N 3.08Å; T94-E97 PolarHBondContact O-N 2.67Å; T94-D98 WeakPolarHBondContact O-CB 3.41Å; T94-D98 PolarHBondContact O-N 2.92Å |
| 95 | L | 49 | Very low | 45.5 | Very low | 113 Ų | 113 | 90 Ų | 90 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.7 | -40.8 | 173.2 | -80.5 | 162.3 | 0 | 0 | 0 | 111.5 | N91 T99 | N91-L95 VanDerWaalsContact O-CB 3.25Å; N91-L95 WeakPolarHBondContact O-CB 3.34Å; N91-L95 WeakPolarHBondContact O-CD1 3.37Å; N91-L95 WeakPolarHBondContact O-CG 3.48Å; N91-L95 PolarHBondContact O-N 2.96Å; L95-T99 WeakPolarHBondContact O-CB 3.39Å; L95-T99 PolarHBondContact O-N 3.39Å; L95-T99 PolarHBondContact O-OG1 3.37Å |
| 96 | L | 52.7 | Low | 45.3 | Very low | 52 Ų | 52 | 91.5 Ų | 91.5 | 27% | 0.272 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 176.4 | -110 | 145.6 | 0 | 0 | 0 | 112.5 | I75 A92 A93 T94 T99 L100 | I75-L96 HydrophobicContact CD1-CD1 3.78Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 PolarHBondContact O-N 3.34Å; A93-L96 PolarHBondContact O-N 1.97Å; T94-L96 VanDerWaalsContact C-N 3.28Å; T94-L96 PolarHBondContact O-N 3.08Å; L96-T99 PolarHBondContact O-N 3.48Å; L96-L100 HydrophobicContact CD2-CD1 4.42Å; L96-L100 WeakPolarHBondContact O-CB 2.85Å; L96-L100 WeakPolarHBondContact O-CD1 3.36Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.5Å |
| 97 | E | 50.6 | Low | 45 | Very low | 86 Ų | 86 | 87.4 Ų | 87.4 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.8 | -74.9 | -177.6 | 172.3 | 0 | 0 | 111.3 | R25 A93 T94 T99 L100 L101 | R25-E97 IonicContact NH2-OE1 3.16Å; R25-E97 PolarHBondContact NH2-OE1 3.49Å; R25-E97 VanDerWaalsContact NH2-OE1 3.16Å; A93-E97 WeakPolarHBondContact O-CG 2.95Å; A93-E97 PolarHBondContact O-N 2.94Å; T94-E97 PolarHBondContact O-N 2.67Å; E97-T99 PolarHBondContact O-N 2.8Å; E97-L100 PolarHBondContact O-N 3.31Å; E97-L101 WeakPolarHBondContact O-CB 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.25Å; E97-L101 PolarHBondContact O-N 3.1Å |
| 98 | D | 46.8 | Very low | 45.2 | Very low | 94 Ų | 94 | 89.2 Ų | 89.2 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.4 | -75.8 | -23.1 | 0 | 0 | 0 | 111.6 | T94 L100 L101 T102 | T94-D98 WeakPolarHBondContact O-CB 3.41Å; T94-D98 PolarHBondContact O-N 2.92Å; D98-L100 VanDerWaalsContact C-N 3.35Å; D98-L101 PolarHBondContact O-N 3.38Å; D98-T102 WeakPolarHBondContact O-CB 3.48Å; D98-T102 PolarHBondContact O-N 3.09Å; D98-T102 PolarHBondContact O-OG1 2.75Å |
| 99 | T | 47.9 | Very low | 45.2 | Very low | 72 Ų | 72 | 89.6 Ų | 89.6 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 177.3 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | L95 L96 E97 F103 | L95-T99 WeakPolarHBondContact O-CB 3.39Å; L95-T99 PolarHBondContact O-N 3.39Å; L95-T99 PolarHBondContact O-OG1 3.37Å; L96-T99 PolarHBondContact O-N 3.48Å; E97-T99 PolarHBondContact O-N 2.8Å; T99-F103 PolarHBondContact O-N 3.4Å |
| 100 | L | 45.3 | Very low | 45.1 | Very low | 67 Ų | 67 | 88.4 Ų | 88.4 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 175.2 | -83.8 | 160.7 | 0 | 0 | 0 | 112.4 | A17 L21 L96 E97 D98 T102 F103 E104 | A17-L100 HydrophobicContact CB-CD2 4.24Å; L21-L100 HydrophobicContact CD1-CD1 3.68Å; L96-L100 HydrophobicContact CD2-CD1 4.42Å; L96-L100 WeakPolarHBondContact O-CB 2.85Å; L96-L100 WeakPolarHBondContact O-CD1 3.36Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.5Å; E97-L100 PolarHBondContact O-N 3.31Å; D98-L100 VanDerWaalsContact C-N 3.35Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-F103 WeakPolarHBondContact O-CB 3Å; L100-F103 PolarHBondContact O-N 2.83Å; L100-E104 PolarHBondContact O-N 3.07Å |
| 101 | L | 41.9 | Very low | 45 | Very low | 92 Ų | 92 | 88.7 Ų | 88.7 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 174.5 | -83.6 | 159.1 | 0 | 0 | 0 | 111.8 | E97 D98 F103 E104 L105 | E97-L101 WeakPolarHBondContact O-CB 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.25Å; E97-L101 PolarHBondContact O-N 3.1Å; D98-L101 PolarHBondContact O-N 3.38Å; L101-F103 VanDerWaalsContact C-N 3.26Å; L101-F103 PolarHBondContact O-N 3.38Å; L101-E104 PolarHBondContact O-N 3.25Å; L101-E104 VanDerWaalsContact O-N 3.14Å; L101-L105 PolarHBondContact O-N 3.16Å |
| 102 | T | 39.4 | Very low | 44.9 | Very low | 78 Ų | 78 | 87.5 Ų | 87.5 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | D98 L100 L106 | D98-T102 WeakPolarHBondContact O-CB 3.48Å; D98-T102 PolarHBondContact O-N 3.09Å; D98-T102 PolarHBondContact O-OG1 2.75Å; L100-T102 VanDerWaalsContact C-N 3.34Å; T102-L106 HydrophobicContact CG2-CD1 4.08Å; T102-L106 WeakPolarHBondContact O-CD1 3.45Å; T102-L106 WeakPolarHBondContact O-CG 3.37Å; T102-L106 PolarHBondContact O-N 2.8Å |
| 103 | F | 40.1 | Very low | 44.7 | Very low | 110 Ų | 110 | 91.1 Ų | 91.1 | 48% | 0.482 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.2 | -33.6 | 173.4 | -102.1 | -86.7 | 0 | 0 | 0 | 113.2 | I38 T99 L100 L101 S107 | I38-F103 HydrophobicContact CG2-CZ 4.16Å; T99-F103 PolarHBondContact O-N 3.4Å; L100-F103 WeakPolarHBondContact O-CB 3Å; L100-F103 PolarHBondContact O-N 2.83Å; L101-F103 VanDerWaalsContact C-N 3.26Å; L101-F103 PolarHBondContact O-N 3.38Å; F103-S107 PolarHBondContact O-N 3.29Å |
| 104 | E | 36.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70 | -33.1 | 174 | -74.7 | -146.8 | 136.5 | 0 | 0 | 113.2 | R14 L100 L101 L106 | R14-E104 IonicContact CZ-OE1 3.69Å; R14-E104 IonicContact NH2-OE1 2.71Å; R14-E104 PolarHBondContact NH2-OE1 3Å; L100-E104 PolarHBondContact O-N 3.07Å; L101-E104 PolarHBondContact O-N 3.25Å; L101-E104 VanDerWaalsContact O-N 3.14Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.37Å |
| 105 | L | 36.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 97 Ų | 97 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.1 | -15.6 | 178.4 | -80.4 | 160 | 0 | 0 | 0 | 113.8 | L101 | L101-L105 PolarHBondContact O-N 3.16Å |
| 106 | L | 38.6 | Very low | 43 | Very low | 122 Ų | 122 | 95.7 Ų | 95.7 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -4.6 | -179.5 | -72 | 169.3 | 0 | 0 | 0 | 113.9 | T102 E104 | T102-L106 HydrophobicContact CG2-CD1 4.08Å; T102-L106 WeakPolarHBondContact O-CD1 3.45Å; T102-L106 WeakPolarHBondContact O-CG 3.37Å; T102-L106 PolarHBondContact O-N 2.8Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.37Å |
| 107 | S | 38.6 | Very low | 42.1 | Very low | 114 Ų | 114 | 99.6 Ų | 99.6 | 80% | 0.797 | 53% | 0.534 | S | S | * | . | trans | -100.5 | 0 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | F103 | F103-S107 PolarHBondContact O-N 3.29Š|
Retrieved 107 of 107 residues in 23.1 ms
(Link to these results)