| 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 | 39.9 | Very low | 46.2 | Very low | 247 Ų | 247 | 112.4 Ų | 112.4 | 100% | 1.217 | 64% | 0.638 | S | S | * | * | 0 | 113.2 | 0 | -81.9 | 170 | 168 | 0 | 0 | 107.1 | |||||
| 2 | A | 36.1 | Very low | 47.6 | Very low | 94 Ų | 94 | 106.4 Ų | 106.4 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 142.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 3 | P | 40.1 | Very low | 49.1 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.6 | 176.6 | 27.8 | -31.1 | 0 | 0 | 0 | 109.7 | ||
| 4 | K | 41.5 | Very low | 49.9 | Very low | 181 Ų | 181 | 103.6 Ų | 103.6 | 79% | 0.787 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 127.3 | 178.1 | -82 | 179.5 | 174.2 | 175.1 | 0 | 109.2 | G6 A7 | K4-G6 PolarHBondContact O-N 3.36Å; K4-A7 PolarHBondContact O-N 2.87Å |
| 5 | P | 44.4 | Very low | 50.5 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 67% | 0.669 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -5.3 | -175.4 | 23.9 | -33 | 0 | 0 | 0 | 114.9 | ||
| 6 | G | 46.6 | Very low | 51.7 | Low | 54 Ų | 54 | 100.3 Ų | 100.3 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83 | -18.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K4 | K4-G6 PolarHBondContact O-N 3.36Å |
| 7 | A | 46.4 | Very low | 52.5 | Low | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -78.5 | -42.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K4 W9 S10 T11 | K4-A7 PolarHBondContact O-N 2.87Å; A7-W9 VanDerWaalsContact C-N 3.28Å; A7-W9 PolarHBondContact O-N 3.43Å; A7-S10 WeakPolarHBondContact O-CB 3.49Å; A7-S10 PolarHBondContact O-N 2.94Å; A7-S10 VanDerWaalsContact O-N 3.16Å; A7-T11 PolarHBondContact O-N 3.46Å; A7-T11 PolarHBondContact O-OG1 2.86Å |
| 8 | E | 50.5 | Low | 53 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -34.6 | 179.6 | -66.6 | 177.9 | 161.8 | 0 | 0 | 112.5 | S10 A12 | E8-S10 VanDerWaalsContact C-N 3.34Å; E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.02Å |
| 9 | W | 52.5 | Low | 53.6 | Low | 190 Ų | 190 | 94.6 Ų | 94.6 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.9 | -34.4 | 177.6 | -72.3 | 65.9 | 0 | 0 | 0 | 111.8 | A7 L13 | A7-W9 VanDerWaalsContact C-N 3.28Å; A7-W9 PolarHBondContact O-N 3.43Å; W9-L13 VanDerWaalsContact O-CB 3.24Å; W9-L13 WeakPolarHBondContact O-CB 3.34Å; W9-L13 WeakPolarHBondContact O-CD1 3.43Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.58Å |
| 10 | S | 55.7 | Low | 54.4 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | A7 E8 S14 | A7-S10 WeakPolarHBondContact O-CB 3.49Å; A7-S10 PolarHBondContact O-N 2.94Å; A7-S10 VanDerWaalsContact O-N 3.16Å; E8-S10 VanDerWaalsContact C-N 3.34Å; S10-S14 WeakPolarHBondContact O-CB 3.41Å; S10-S14 PolarHBondContact O-N 3.15Å; S10-S14 PolarHBondContact O-OG 2.91Å |
| 11 | T | 54.8 | Low | 54.8 | Low | 43 Ų | 43 | 94 Ų | 94 | 26% | 0.264 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71 | -44.2 | 177 | -2.7 | 0 | 0 | 0 | 0 | 111.1 | A7 L13 S14 H15 C61 | A7-T11 PolarHBondContact O-N 3.46Å; A7-T11 PolarHBondContact O-OG1 2.86Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 3.2Å; T11-S14 PolarHBondContact O-N 3.12Å; T11-S14 VanDerWaalsContact O-N 3.13Å; T11-H15 PolarHBondContact O-CD2 3.45Å; T11-H15 PolarHBondContact O-N 2.82Å; T11-C61 HydrophobicContact CG2-CB 4.36Å; T11-C61 WeakPolarHBondContact CG2-SG 3.38Å; T11-C61 PolarHBondContact OG1-SG 3.35Å |
| 12 | A | 62.4 | Low | 55.7 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | E8 S14 H15 L16 L51 | E8-A12 VanDerWaalsContact O-CB 3.31Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.02Å; A12-S14 VanDerWaalsContact C-N 3.32Å; A12-S14 PolarHBondContact O-N 2.89Å; A12-H15 PolarHBondContact O-N 3.37Å; A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 2.85Å; A12-L51 HydrophobicContact CB-CD2 4.11Å |
| 13 | L | 67.9 | Low | 57.3 | Low | 106 Ų | 106 | 82 Ų | 82 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.9 | -41.1 | 174 | -87.3 | 159.9 | 0 | 0 | 0 | 112.4 | W9 T11 L16 V17 | W9-L13 VanDerWaalsContact O-CB 3.24Å; W9-L13 WeakPolarHBondContact O-CB 3.34Å; W9-L13 WeakPolarHBondContact O-CD1 3.43Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 2.58Å; T11-L13 VanDerWaalsContact C-N 3.34Å; T11-L13 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 2.6Å; L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.87Å |
| 14 | S | 59.7 | Low | 58.7 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.7 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | S10 T11 A12 L16 V17 L18 | S10-S14 WeakPolarHBondContact O-CB 3.41Å; S10-S14 PolarHBondContact O-N 3.15Å; S10-S14 PolarHBondContact O-OG 2.91Å; T11-S14 PolarHBondContact O-N 3.12Å; T11-S14 VanDerWaalsContact O-N 3.13Å; A12-S14 VanDerWaalsContact C-N 3.32Å; A12-S14 PolarHBondContact O-N 2.89Å; S14-L16 VanDerWaalsContact C-N 3.34Å; S14-V17 PolarHBondContact O-N 2.97Å; S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 PolarHBondContact O-N 3.35Å |
| 15 | H | 59.6 | Low | 59.5 | Low | 58 Ų | 58 | 76.7 Ų | 76.7 | 27% | 0.269 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.6 | -33.7 | 174.5 | -71.5 | -61 | 0 | 0 | 0 | 112.3 | T11 A12 L18 G19 L51 | T11-H15 PolarHBondContact O-CD2 3.45Å; T11-H15 PolarHBondContact O-N 2.82Å; A12-H15 PolarHBondContact O-N 3.37Å; H15-L18 PolarHBondContact O-N 3.13Å; H15-G19 PolarHBondContact O-N 3.41Å; H15-L51 HydrophobicContact CB-CD1 4.31Å; H15-L51 HydrophobicContact CB-CD2 4.13Å; H15-L51 HydrophobicContact CB-CG 4.01Å |
| 16 | L | 69.1 | Low | 60.6 | Low | 97 Ų | 97 | 72 Ų | 72 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 175.3 | -141 | 160.6 | 0 | 0 | 0 | 110.8 | A12 L13 S14 G19 V20 L51 | A12-L16 WeakPolarHBondContact O-CB 3.34Å; A12-L16 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 2.6Å; S14-L16 VanDerWaalsContact C-N 3.34Å; L16-G19 PolarHBondContact O-N 2.89Å; L16-V20 HydrophobicContact CD2-CG2 4.09Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.76Å; L16-L51 HydrophobicContact CB-CD1 4.47Å; L16-L51 HydrophobicContact CG-CD1 4.42Å |
| 17 | V | 65.9 | Low | 61.9 | Low | 89 Ų | 89 | 74.2 Ų | 74.2 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 173.7 | 171 | 0 | 0 | 0 | 0 | 110.9 | L13 S14 G19 V20 V21 | L13-V17 WeakPolarHBondContact O-CB 3.26Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 2.87Å; S14-V17 PolarHBondContact O-N 2.97Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3Å; V17-V20 PolarHBondContact O-N 2.93Å; V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.5Å; V17-V21 PolarHBondContact O-N 2.78Å |
| 18 | L | 61.3 | Low | 62.9 | Low | 91 Ų | 91 | 75 Ų | 75 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.4 | -176.3 | 66.8 | 0 | 0 | 0 | 111.4 | S14 H15 S22 | S14-L18 VanDerWaalsContact O-CB 3.29Å; S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 PolarHBondContact O-N 3.35Å; H15-L18 PolarHBondContact O-N 3.13Å; L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.35Å; L18-S22 PolarHBondContact O-OG 3.27Å |
| 19 | G | 64.1 | Low | 63.4 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H15 L16 V17 S22 L23 | H15-G19 PolarHBondContact O-N 3.41Å; L16-G19 PolarHBondContact O-N 2.89Å; V17-G19 VanDerWaalsContact C-N 3.32Å; V17-G19 PolarHBondContact O-N 3Å; G19-S22 PolarHBondContact O-N 3.15Å; G19-L23 VanDerWaalsContact O-CB 3.27Å; G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 2.83Å |
| 20 | V | 70.3 | Confident | 64.1 | Low | 88 Ų | 88 | 64 Ų | 64 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L16 V17 L23 H24 | L16-V20 HydrophobicContact CD2-CG2 4.09Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 2.76Å; V17-V20 PolarHBondContact O-N 2.93Å; V20-L23 PolarHBondContact O-N 3.48Å; V20-H24 WeakPolarHBondContact O-CB 3.46Å; V20-H24 PolarHBondContact O-N 3.46Å |
| 21 | V | 62.7 | Low | 64.1 | Low | 88 Ų | 88 | 69.9 Ų | 69.9 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V17 L23 H24 A25 | V17-V21 HydrophobicContact CG1-CG2 4.24Å; V17-V21 WeakPolarHBondContact O-CB 3.47Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.5Å; V17-V21 PolarHBondContact O-N 2.78Å; V21-L23 VanDerWaalsContact C-N 3.35Å; V21-H24 PolarHBondContact O-N 3.14Å; V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.95Å |
| 22 | S | 57.4 | Low | 63.7 | Low | 5 Ų | 5 | 72.3 Ų | 72.3 | 4% | 0.035 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | L18 G19 A25 A26 F40 | L18-S22 WeakPolarHBondContact O-CB 3.47Å; L18-S22 PolarHBondContact O-N 3.35Å; L18-S22 PolarHBondContact O-OG 3.27Å; G19-S22 PolarHBondContact O-N 3.15Å; S22-A25 PolarHBondContact O-N 2.76Å; S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 2.97Å; S22-F40 WeakPolarHBondContact O-CB 3.5Å |
| 23 | L | 70.4 | Confident | 63.2 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 175.7 | -171.5 | 65.6 | 0 | 0 | 0 | 111.5 | G19 V20 V21 A25 A26 V27 L41 V44 | G19-L23 VanDerWaalsContact O-CB 3.27Å; G19-L23 WeakPolarHBondContact O-CB 3.39Å; G19-L23 PolarHBondContact O-N 2.83Å; V20-L23 PolarHBondContact O-N 3.48Å; V21-L23 VanDerWaalsContact C-N 3.35Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.31Å; L23-A26 WeakPolarHBondContact O-CB 3.46Å; L23-A26 PolarHBondContact O-N 3.07Å; L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.75Å; L23-L41 HydrophobicContact CD1-CD2 4.38Å; L23-V44 HydrophobicContact CB-CG2 3.87Å; L23-V44 HydrophobicContact CD1-CG2 4.24Å |
| 24 | H | 69.3 | Low | 62.6 | Low | 138 Ų | 138 | 78 Ų | 78 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 173.5 | -178.4 | -84.6 | 0 | 0 | 0 | 111.5 | V20 V21 V27 S28 | V20-H24 WeakPolarHBondContact O-CB 3.46Å; V20-H24 PolarHBondContact O-N 3.46Å; V21-H24 PolarHBondContact O-N 3.14Å; H24-V27 PolarHBondContact O-N 3.28Å; H24-S28 WeakPolarHBondContact O-CB 3.34Å; H24-S28 PolarHBondContact O-N 3.08Å; H24-S28 PolarHBondContact O-OG 2.84Å; H24-S28 VanDerWaalsContact O-OG 3.08Å |
| 25 | A | 58.2 | Low | 62 | Low | 20 Ų | 20 | 77.4 Ų | 77.4 | 17% | 0.165 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V21 S22 L23 V27 S28 T29 F40 | V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.46Å; V21-A25 PolarHBondContact O-N 2.95Å; S22-A25 PolarHBondContact O-N 2.76Å; L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3.31Å; A25-V27 PolarHBondContact O-N 2.98Å; A25-S28 WeakPolarHBondContact CA-OG 3.43Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 PolarHBondContact O-OG 3.35Å; A25-T29 WeakPolarHBondContact O-CB 3.15Å; A25-T29 VanDerWaalsContact O-CG2 3.32Å; A25-T29 WeakPolarHBondContact O-CG2 3.43Å; A25-T29 PolarHBondContact O-N 3.04Å; A25-T29 PolarHBondContact O-OG1 2.87Å; A25-F40 HydrophobicContact CB-CD1 3.81Å; A25-F40 HydrophobicContact CB-CD2 4.19Å; A25-F40 HydrophobicContact CB-CE1 3.9Å; A25-F40 HydrophobicContact CB-CE2 4.29Å; A25-F40 HydrophobicContact CB-CG 3.97Å; A25-F40 HydrophobicContact CB-CZ 4.15Å |
| 26 | A | 67.6 | Low | 61.4 | Low | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.033 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S22 L23 T29 A30 F40 L41 | S22-A26 WeakPolarHBondContact O-CB 3.38Å; S22-A26 PolarHBondContact O-N 2.97Å; L23-A26 WeakPolarHBondContact O-CB 3.46Å; L23-A26 PolarHBondContact O-N 3.07Å; A26-T29 PolarHBondContact O-OG1 3.08Å; A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.25Å; A26-A30 PolarHBondContact O-N 3.3Å; A26-F40 HydrophobicContact CB-CB 3.62Å; A26-L41 HydrophobicContact CB-CD2 4.12Å; A26-L41 HydrophobicContact CB-CG 4.1Å |
| 27 | V | 74.6 | Confident | 60.6 | Low | 102 Ų | 102 | 71.5 Ų | 71.5 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.7 | -43.9 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | L23 H24 A25 T29 A30 | L23-V27 WeakPolarHBondContact O-CG2 3.46Å; L23-V27 PolarHBondContact O-N 2.75Å; H24-V27 PolarHBondContact O-N 3.28Å; A25-V27 PolarHBondContact O-N 2.98Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 2.82Å; V27-A30 PolarHBondContact O-N 2.7Å |
| 28 | S | 67.8 | Low | 60 | Low | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | H24 A25 | H24-S28 WeakPolarHBondContact O-CB 3.34Å; H24-S28 PolarHBondContact O-N 3.08Å; H24-S28 PolarHBondContact O-OG 2.84Å; H24-S28 VanDerWaalsContact O-OG 3.08Å; A25-S28 WeakPolarHBondContact CA-OG 3.43Å; A25-S28 PolarHBondContact O-N 3.49Å; A25-S28 PolarHBondContact O-OG 3.35Å |
| 29 | T | 60.2 | Low | 59.5 | Low | 23 Ų | 23 | 66.8 Ų | 66.8 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -90 | -14.8 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | A25 A26 V27 Q31 A32 S33 F40 | A25-T29 WeakPolarHBondContact O-CB 3.15Å; A25-T29 VanDerWaalsContact O-CG2 3.32Å; A25-T29 WeakPolarHBondContact O-CG2 3.43Å; A25-T29 PolarHBondContact O-N 3.04Å; A25-T29 PolarHBondContact O-OG1 2.87Å; A26-T29 PolarHBondContact O-OG1 3.08Å; V27-T29 VanDerWaalsContact C-N 3.34Å; V27-T29 PolarHBondContact O-N 2.82Å; T29-Q31 PolarHBondContact O-N 2.77Å; T29-A32 PolarHBondContact O-N 2.81Å; T29-S33 PolarHBondContact O-N 3.29Å; T29-F40 HydrophobicContact CG2-CD2 4.5Å; T29-F40 HydrophobicContact CG2-CE2 3.98Å |
| 30 | A | 67 | Low | 59.2 | Low | 48 Ų | 48 | 67.9 Ų | 67.9 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A26 V27 A37 | A26-A30 VanDerWaalsContact O-CB 3.29Å; A26-A30 WeakPolarHBondContact O-CB 3.25Å; A26-A30 PolarHBondContact O-N 3.3Å; V27-A30 PolarHBondContact O-N 2.7Å; A30-A37 HydrophobicContact CB-CB 3.99Å |
| 31 | Q | 55.2 | Low | 58.7 | Low | 192 Ų | 192 | 68.2 Ų | 68.2 | 90% | 0.897 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -26.5 | 176.3 | -68 | -176.4 | -13.8 | 0 | 0 | 112.8 | T29 | T29-Q31 PolarHBondContact O-N 2.77Š|
| 32 | A | 47.4 | Very low | 58.5 | Low | 94 Ų | 94 | 69.5 Ų | 69.5 | 78% | 0.777 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -36.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T29 | T29-A32 PolarHBondContact O-N 2.81Š|
| 33 | S | 51.7 | Low | 58.5 | Low | 44 Ų | 44 | 73.8 Ų | 73.8 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | trans | -158.9 | 113.9 | -179.6 | 174 | 0 | 0 | 0 | 0 | 111.8 | T29 G35 A36 A37 | T29-S33 PolarHBondContact O-N 3.29Å; S33-G35 PolarHBondContact O-N 3.42Å; S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 2.88Å; S33-A37 PolarHBondContact O-N 2.93Å | ||
| 34 | R | 54.3 | Low | 58.4 | Low | 223 Ų | 223 | 71 Ų | 71 | 84% | 0.842 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62 | -27.5 | 177.6 | -68.6 | -178.1 | 170 | -176.3 | -3.5 | 113.1 | A38 | R34-A38 PolarHBondContact O-N 3.06Å |
| 35 | G | 46.9 | Very low | 58 | Low | 53 Ų | 53 | 69.2 Ų | 69.2 | 55% | 0.546 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.4 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S33 A37 A38 G39 | S33-G35 PolarHBondContact O-N 3.42Å; G35-A37 VanDerWaalsContact C-N 3.35Å; G35-A38 PolarHBondContact O-N 3.32Å; G35-G39 PolarHBondContact O-N 2.84Å |
| 36 | A | 48.3 | Very low | 57.9 | Low | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S33 A38 G39 F40 | S33-A36 PolarHBondContact O-N 3.4Å; S33-A36 PolarHBondContact OG-N 2.88Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A36-A38 PolarHBondContact O-N 2.84Å; A36-G39 PolarHBondContact O-N 2.82Å; A36-G39 VanDerWaalsContact O-N 3.11Å; A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 3.18Å; A36-F40 VanDerWaalsContact O-N 3.1Å |
| 37 | A | 52.2 | Low | 57.5 | Low | 8 Ų | 8 | 70.6 Ų | 70.6 | 7% | 0.066 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A30 S33 G35 G39 F40 L41 | A30-A37 HydrophobicContact CB-CB 3.99Å; S33-A37 PolarHBondContact O-N 2.93Å; G35-A37 VanDerWaalsContact C-N 3.35Å; A37-G39 VanDerWaalsContact C-N 3.32Å; A37-G39 PolarHBondContact O-N 3.08Å; A37-F40 PolarHBondContact O-N 3.29Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.28Å; A37-L41 PolarHBondContact O-N 3.18Å |
| 38 | A | 53.8 | Low | 57 | Low | 47 Ų | 47 | 69.3 Ų | 69.3 | 39% | 0.388 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R34 G35 A36 L41 L42 | R34-A38 PolarHBondContact O-N 3.06Å; G35-A38 PolarHBondContact O-N 3.32Å; A36-A38 VanDerWaalsContact C-N 3.31Å; A36-A38 PolarHBondContact O-N 2.84Å; A38-L41 PolarHBondContact O-N 3.38Å; A38-L42 PolarHBondContact O-N 2.87Å |
| 39 | G | 49.7 | Very low | 56.8 | Low | 34 Ų | 34 | 69.8 Ų | 69.8 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | G35 A36 A37 L42 Q43 | G35-G39 PolarHBondContact O-N 2.84Å; A36-G39 PolarHBondContact O-N 2.82Å; A36-G39 VanDerWaalsContact O-N 3.11Å; A37-G39 VanDerWaalsContact C-N 3.32Å; A37-G39 PolarHBondContact O-N 3.08Å; G39-L42 WeakPolarHBondContact O-CB 3.21Å; G39-L42 PolarHBondContact O-N 3.49Å; G39-Q43 PolarHBondContact O-N 3.19Å |
| 40 | F | 58.1 | Low | 56.7 | Low | 36 Ų | 36 | 73.6 Ų | 73.6 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 175.2 | -69.6 | -62.9 | 0 | 0 | 0 | 112.6 | S22 A25 A26 T29 A36 A37 L42 Q43 V44 L135 | S22-F40 WeakPolarHBondContact O-CB 3.5Å; A25-F40 HydrophobicContact CB-CD1 3.81Å; A25-F40 HydrophobicContact CB-CD2 4.19Å; A25-F40 HydrophobicContact CB-CE1 3.9Å; A25-F40 HydrophobicContact CB-CE2 4.29Å; A25-F40 HydrophobicContact CB-CG 3.97Å; A25-F40 HydrophobicContact CB-CZ 4.15Å; A26-F40 HydrophobicContact CB-CB 3.62Å; T29-F40 HydrophobicContact CG2-CD2 4.5Å; T29-F40 HydrophobicContact CG2-CE2 3.98Å; A36-F40 WeakPolarHBondContact O-CD2 3.36Å; A36-F40 PolarHBondContact O-N 3.18Å; A36-F40 VanDerWaalsContact O-N 3.1Å; A37-F40 PolarHBondContact O-N 3.29Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 2.86Å; F40-Q43 WeakPolarHBondContact O-CB 3.2Å; F40-Q43 PolarHBondContact O-N 3.15Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.46Å; F40-L135 HydrophobicContact CZ-CD2 4.03Å |
| 41 | L | 59.3 | Low | 56.3 | Low | 94 Ų | 94 | 74.5 Ų | 74.5 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 173.2 | -70.1 | 169 | 0 | 0 | 0 | 112.5 | L23 A26 A37 A38 Q43 V44 L45 | L23-L41 HydrophobicContact CD1-CD2 4.38Å; A26-L41 HydrophobicContact CB-CD2 4.12Å; A26-L41 HydrophobicContact CB-CG 4.1Å; A37-L41 VanDerWaalsContact O-CG 3.26Å; A37-L41 WeakPolarHBondContact O-CG 3.28Å; A37-L41 PolarHBondContact O-N 3.18Å; A38-L41 PolarHBondContact O-N 3.38Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; L41-V44 WeakPolarHBondContact O-CB 3.26Å; L41-V44 PolarHBondContact O-N 3.26Å; L41-L45 PolarHBondContact O-N 3.29Å |
| 42 | L | 58.6 | Low | 56.3 | Low | 115 Ų | 115 | 67.8 Ų | 67.8 | 60% | 0.602 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.3 | -34.8 | 172.1 | -83.3 | 156 | 0 | 0 | 0 | 112.3 | A38 G39 F40 L45 A46 | A38-L42 PolarHBondContact O-N 2.87Å; G39-L42 WeakPolarHBondContact O-CB 3.21Å; G39-L42 PolarHBondContact O-N 3.49Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 2.86Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.22Å; L42-A46 PolarHBondContact O-N 3.4Å |
| 43 | Q | 58.7 | Low | 56 | Low | 96 Ų | 96 | 69.9 Ų | 69.9 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 174.3 | -69.9 | 178.2 | -13.7 | 0 | 0 | 112.2 | G39 F40 L41 L45 A46 A47 | G39-Q43 PolarHBondContact O-N 3.19Å; F40-Q43 WeakPolarHBondContact O-CB 3.2Å; F40-Q43 PolarHBondContact O-N 3.15Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-A46 PolarHBondContact O-N 3.3Å; Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.13Å |
| 44 | V | 66.8 | Low | 56 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 169.9 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | L23 F40 L41 A46 A47 T48 | L23-V44 HydrophobicContact CB-CG2 3.87Å; L23-V44 HydrophobicContact CD1-CG2 4.24Å; F40-V44 WeakPolarHBondContact O-CG2 3.44Å; F40-V44 PolarHBondContact O-N 3.46Å; L41-V44 WeakPolarHBondContact O-CB 3.26Å; L41-V44 PolarHBondContact O-N 3.26Å; V44-A46 PolarHBondContact O-N 2.88Å; V44-A47 PolarHBondContact O-N 2.83Å; V44-T48 WeakPolarHBondContact O-CG2 3.42Å; V44-T48 PolarHBondContact O-N 2.85Å; V44-T48 PolarHBondContact O-OG1 3.46Å; V44-T48 VanDerWaalsContact O-OG1 3.06Å |
| 45 | L | 61 | Low | 55.5 | Low | 100 Ų | 100 | 67.3 Ų | 67.3 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 177.6 | -164.1 | 85.5 | 0 | 0 | 0 | 111.5 | L41 L42 Q43 A47 T48 I49 | L41-L45 PolarHBondContact O-N 3.29Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.22Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-T48 VanDerWaalsContact C-OG1 3.3Å; L45-T48 VanDerWaalsContact CA-OG1 3.29Å; L45-T48 WeakPolarHBondContact CA-OG1 3.19Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 2.92Å; L45-I49 HydrophobicContact CD2-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.07Å |
| 46 | A | 57.6 | Low | 55.2 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L42 Q43 V44 I49 M50 | L42-A46 PolarHBondContact O-N 3.4Å; Q43-A46 PolarHBondContact O-N 3.3Å; V44-A46 PolarHBondContact O-N 2.88Å; A46-I49 PolarHBondContact O-N 3.45Å; A46-M50 WeakPolarHBondContact O-CG 3.39Å; A46-M50 PolarHBondContact O-N 2.82Å; A46-M50 VanDerWaalsContact O-N 3.16Å |
| 47 | A | 59.4 | Low | 54.6 | Low | 3 Ų | 3 | 75.2 Ų | 75.2 | 3% | 0.025 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q43 V44 L45 M50 L51 | Q43-A47 WeakPolarHBondContact O-CB 3.18Å; Q43-A47 PolarHBondContact O-N 3.13Å; V44-A47 PolarHBondContact O-N 2.83Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-M50 PolarHBondContact O-N 3.19Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.78Å |
| 48 | T | 63.3 | Low | 53.9 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.5 | -33.6 | 176 | 50 | 0 | 0 | 0 | 0 | 113.1 | V44 L45 M50 L51 A52 | V44-T48 WeakPolarHBondContact O-CG2 3.42Å; V44-T48 PolarHBondContact O-N 2.85Å; V44-T48 PolarHBondContact O-OG1 3.46Å; V44-T48 VanDerWaalsContact O-OG1 3.06Å; L45-T48 VanDerWaalsContact C-OG1 3.3Å; L45-T48 VanDerWaalsContact CA-OG1 3.29Å; L45-T48 WeakPolarHBondContact CA-OG1 3.19Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-T48 PolarHBondContact O-OG1 2.92Å; T48-M50 VanDerWaalsContact C-N 3.34Å; T48-L51 PolarHBondContact O-N 3.44Å; T48-A52 PolarHBondContact O-N 3.25Å |
| 49 | I | 63.3 | Low | 53.3 | Low | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.415 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 174.8 | -68.2 | 163.8 | 0 | 0 | 0 | 110.4 | L45 A46 L51 A52 | L45-I49 HydrophobicContact CD2-CD1 4.39Å; L45-I49 HydrophobicContact CG-CD1 4.23Å; L45-I49 VanDerWaalsContact O-CG1 3.27Å; L45-I49 WeakPolarHBondContact O-CG1 3.32Å; L45-I49 PolarHBondContact O-N 3.07Å; A46-I49 PolarHBondContact O-N 3.45Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.35Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.9Å |
| 50 | M | 57.6 | Low | 52.9 | Low | 102 Ų | 102 | 92.5 Ų | 92.5 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.1 | -20.3 | 177.4 | -65.6 | -63.4 | 131.4 | 0 | 0 | 113.7 | A46 A47 T48 | A46-M50 WeakPolarHBondContact O-CG 3.39Å; A46-M50 PolarHBondContact O-N 2.82Å; A46-M50 VanDerWaalsContact O-N 3.16Å; A47-M50 PolarHBondContact O-N 3.19Å; T48-M50 VanDerWaalsContact C-N 3.34Å |
| 51 | L | 59.7 | Low | 52.1 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 35% | 0.351 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.9 | 173.6 | -72.6 | 165.9 | 0 | 0 | 0 | 113.1 | A12 H15 L16 A47 T48 I49 | A12-L51 HydrophobicContact CB-CD2 4.11Å; H15-L51 HydrophobicContact CB-CD1 4.31Å; H15-L51 HydrophobicContact CB-CD2 4.13Å; H15-L51 HydrophobicContact CB-CG 4.01Å; L16-L51 HydrophobicContact CB-CD1 4.47Å; L16-L51 HydrophobicContact CG-CD1 4.42Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 2.78Å; T48-L51 PolarHBondContact O-N 3.44Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.35Å |
| 52 | A | 55.6 | Low | 51.1 | Low | 51 Ų | 51 | 97 Ų | 97 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -78.3 | 123.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T48 I49 G54 | T48-A52 PolarHBondContact O-N 3.25Å; I49-A52 WeakPolarHBondContact O-CB 3.44Å; I49-A52 PolarHBondContact O-N 2.9Å; A52-G54 PolarHBondContact O-N 3.22Å; A52-G54 VanDerWaalsContact O-N 3.16Å |
| 53 | P | 40.8 | Very low | 50.2 | Low | 139 Ų | 139 | 93.8 Ų | 93.8 | 90% | 0.903 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 112.5 | 179.9 | 23.9 | -22.8 | 0 | 0 | 0 | 109.4 | ||
| 54 | G | 51 | Low | 49.3 | Very low | 73 Ų | 73 | 91.8 Ų | 91.8 | 75% | 0.753 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.8 | -6.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A52 | A52-G54 PolarHBondContact O-N 3.22Å; A52-G54 VanDerWaalsContact O-N 3.16Å |
| 55 | L | 44.4 | Very low | 47.9 | Very low | 139 Ų | 139 | 94.2 Ų | 94.2 | 73% | 0.728 | 58% | 0.578 | S | S | * | * | trans | -139.5 | 71.5 | 178.3 | -104.3 | 109.2 | 0 | 0 | 0 | 111.7 | ||||
| 56 | S | 39.3 | Very low | 46.5 | Very low | 101 Ų | 101 | 99.5 Ų | 99.5 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | trans | -154.9 | 126 | 163.9 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 57 | T | 36.3 | Very low | 45.8 | Very low | 142 Ų | 142 | 100 Ų | 100 | 87% | 0.871 | 59% | 0.588 | S | S | * | * | trans | -86.3 | 136 | 163.6 | 44.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 58 | H | 38.4 | Very low | 44.7 | Very low | 141 Ų | 141 | 103.2 Ų | 103.2 | 65% | 0.653 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -96.7 | 94.1 | -158 | 179.7 | -72.8 | 0 | 0 | 0 | 111.5 | ||
| 59 | E | 39.6 | Very low | 43.5 | Very low | 182 Ų | 182 | 105.3 Ų | 105.3 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | trans | -158.8 | 7.7 | 165.7 | -117.9 | 170 | -160.8 | 0 | 0 | 119.2 | ||||
| 60 | D | 41.8 | Very low | 42.2 | Very low | 129 Ų | 129 | 107 Ų | 107 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -110.7 | 14.7 | -166.7 | -72 | -38.4 | 0 | 0 | 0 | 117.7 | L62 | D60-L62 PolarHBondContact O-N 2.89Š| ||
| 61 | C | 41.2 | Very low | 41.6 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 42% | 0.419 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -12.9 | -163.8 | -159.5 | 0 | 0 | 0 | 0 | 116.5 | T11 | T11-C61 HydrophobicContact CG2-CB 4.36Å; T11-C61 WeakPolarHBondContact CG2-SG 3.38Å; T11-C61 PolarHBondContact OG1-SG 3.35Å |
| 62 | L | 38.3 | Very low | 40.4 | Very low | 162 Ų | 162 | 104.2 Ų | 104.2 | 85% | 0.848 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -11.6 | -175.9 | -90.3 | 151.1 | 0 | 0 | 0 | 114.6 | D60 | D60-L62 PolarHBondContact O-N 2.89Š|
| 63 | A | 41.1 | Very low | 39.5 | Very low | 48 Ų | 48 | 109.6 Ų | 109.6 | 40% | 0.397 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.1 | -24.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A65 V67 | A63-A65 PolarHBondContact O-N 2.77Å; A63-V67 VanDerWaalsContact O-CG2 3.27Å; A63-V67 WeakPolarHBondContact O-CG2 3.44Å |
| 64 | G | 39.2 | Very low | 39.4 | Very low | 54 Ų | 54 | 104.4 Ų | 104.4 | 56% | 0.557 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -28.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 65 | A | 36.6 | Very low | 39 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80.9 | -27.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A63 | A63-A65 PolarHBondContact O-N 2.77Å |
| 66 | W | 32.8 | Very low | 38.9 | Very low | 210 Ų | 210 | 105.1 Ų | 105.1 | 80% | 0.795 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.6 | -27.2 | 178 | -80.2 | 75.5 | 0 | 0 | 0 | 112.7 | A68 | W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.42Å |
| 67 | V | 42.3 | Very low | 39.3 | Very low | 61 Ų | 61 | 101.7 Ų | 101.7 | 37% | 0.37 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.6 | -29.7 | -179.1 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | A63 T69 I71 | A63-V67 VanDerWaalsContact O-CG2 3.27Å; A63-V67 WeakPolarHBondContact O-CG2 3.44Å; V67-T69 PolarHBondContact O-N 2.85Å; V67-I71 HydrophobicContact CG1-CD1 3.91Å; V67-I71 HydrophobicContact CG1-CG1 4.38Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.08Å; V67-I71 PolarHBondContact O-N 3.25Å |
| 68 | A | 36.7 | Very low | 40.3 | Very low | 72 Ų | 72 | 100.9 Ų | 100.9 | 60% | 0.595 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71 | -27.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W66 | W66-A68 VanDerWaalsContact C-N 3.33Å; W66-A68 PolarHBondContact O-N 3.42Å |
| 69 | T | 37.2 | Very low | 42.1 | Very low | 117 Ų | 117 | 96.9 Ų | 96.9 | 72% | 0.718 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -100.1 | -26.5 | -170.2 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | V67 | V67-T69 PolarHBondContact O-N 2.85Å |
| 70 | V | 36.7 | Very low | 44.2 | Very low | 116 Ų | 116 | 89.1 Ų | 89.1 | 70% | 0.703 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -99.7 | -20.8 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 71 | I | 43.8 | Very low | 46.3 | Very low | 77 Ų | 77 | 84.6 Ų | 84.6 | 40% | 0.395 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -98.3 | -0.6 | 175.4 | -47.6 | -166.2 | 0 | 0 | 0 | 112 | V67 L73 P74 | V67-I71 HydrophobicContact CG1-CD1 3.91Å; V67-I71 HydrophobicContact CG1-CG1 4.38Å; V67-I71 VanDerWaalsContact O-CB 3.3Å; V67-I71 WeakPolarHBondContact O-CB 3.08Å; V67-I71 PolarHBondContact O-N 3.25Å; I71-L73 PolarHBondContact O-N 3.11Å; I71-P74 WeakPolarHBondContact O-CD 3.48Å |
| 72 | G | 35.6 | Very low | 48.5 | Very low | 34 Ų | 34 | 86.6 Ų | 86.6 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -75.9 | -12.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 73 | L | 36.3 | Very low | 50.9 | Low | 164 Ų | 164 | 79 Ų | 79 | 86% | 0.859 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -105.7 | 8.4 | -170.3 | -120.2 | 84.8 | 0 | 0 | 0 | 119.4 | I71 | I71-L73 PolarHBondContact O-N 3.11Š|
| 74 | P | 39.3 | Very low | 53.1 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 20% | 0.201 | 46% | 0.459 | C | S | . | . | trans | -116.4 | 45.3 | 165.4 | 38.3 | -25.2 | 0 | 0 | 0 | 111.4 | I71 L76 A77 C90 | I71-P74 WeakPolarHBondContact O-CD 3.48Å; P74-L76 PolarHBondContact O-N 3.44Å; P74-A77 PolarHBondContact O-N 3.25Å; P74-C90 HydrophobicContact CB-CB 4.29Å; P74-C90 VanDerWaalsContact CB-SG 3.52Å; P74-C90 HydrophobicContact CG-CB 4.08Å; P74-C90 WeakPolarHBondContact CG-SG 3.3Å | ||
| 75 | L | 42.7 | Very low | 55.4 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 39% | 0.393 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4.5 | 169.4 | -81.3 | 173.5 | 0 | 0 | 0 | 113.3 | F80 V132 R148 | L75-F80 HydrophobicContact CD2-CZ 4.27Å; L75-V132 HydrophobicContact CD2-CG1 4.14Å; L75-R148 PolarHBondContact O-NH1 3.12Å; L75-R148 VanDerWaalsContact O-NH1 3.1Å |
| 76 | L | 42.1 | Very low | 57.7 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 79% | 0.791 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -4.7 | 168.3 | -70.9 | 163.6 | 0 | 0 | 0 | 112.8 | P74 | P74-L76 PolarHBondContact O-N 3.44Š|
| 77 | A | 47 | Very low | 60.3 | Low | 30 Ų | 30 | 74.2 Ų | 74.2 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | trans | -86.6 | 112.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P74 D79 F80 C90 | P74-A77 PolarHBondContact O-N 3.25Å; A77-D79 PolarHBondContact O-N 2.86Å; A77-D79 VanDerWaalsContact O-N 3.09Å; A77-F80 WeakPolarHBondContact O-CE2 3.33Å; A77-C90 HydrophobicContact CB-CB 4.07Å | ||
| 78 | F | 58.4 | Low | 62.4 | Low | 125 Ų | 125 | 75.2 Ų | 75.2 | 55% | 0.548 | 43% | 0.427 | S | S | . | . | trans | -70.2 | 1.5 | -179.9 | -66.4 | -80.2 | 0 | 0 | 0 | 114.4 | E129 | F78-E129 WeakPolarHBondContact O-CG 3.15Š| ||
| 79 | D | 74.9 | Confident | 64.9 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 30% | 0.299 | 40% | 0.402 | S | S | . | . | trans | -121.7 | 120.9 | -174 | -65.5 | -3.6 | 0 | 0 | 0 | 110 | A77 C90 A91 R124 E129 | A77-D79 PolarHBondContact O-N 2.86Å; A77-D79 VanDerWaalsContact O-N 3.09Å; D79-C90 CarbonylContact O-C 3.55Å; D79-A91 HydrophobicContact CB-CB 3.54Å; D79-A91 PolarHBondContact O-N 2.91Å; D79-R124 IonicContact OD1-CZ 2.63Å; D79-R124 IonicContact OD1-NE 3.15Å; D79-R124 IonicContact OD1-NH1 3.33Å; D79-R124 PolarHBondContact OD1-NH1 3.24Å; D79-R124 IonicContact OD1-NH2 3.26Å; D79-R124 PolarHBondContact OD1-NH2 3.49Å; D79-R124 IonicContact OD2-NH1 3.71Å; D79-E129 VanDerWaalsContact CA-OE1 3.31Å; D79-E129 WeakPolarHBondContact CA-OE1 3.26Å | ||
| 80 | F | 84.6 | Confident | 67.2 | Low | 20 Ų | 20 | 67 Ų | 67 | 9% | 0.088 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.7 | 176.8 | -72.8 | -88.9 | 0 | 0 | 0 | 110.3 | L75 A77 C90 R124 N125 V128 E129 V132 | L75-F80 HydrophobicContact CD2-CZ 4.27Å; A77-F80 WeakPolarHBondContact O-CE2 3.33Å; F80-C90 HydrophobicContact CD1-CB 4.33Å; F80-C90 HydrophobicContact CE1-CB 4.1Å; F80-R124 CarbonylContact O-C 3.6Å; F80-R124 VanDerWaalsContact O-CA 3.31Å; F80-R124 WeakPolarHBondContact O-CA 3.47Å; F80-N125 PolarHBondContact O-N 3.38Å; F80-V128 HydrophobicContact CB-CG1 4.07Å; F80-V128 HydrophobicContact CD1-CG1 4.32Å; F80-V128 HydrophobicContact CD2-CG1 4.08Å; F80-V128 HydrophobicContact CG-CG1 3.89Å; F80-E129 HydrophobicContact CB-CG 4.22Å; F80-E129 HydrophobicContact CD2-CG 3.83Å; F80-E129 PolarHBondContact N-OE1 3.35Å; F80-V132 HydrophobicContact CE2-CB 4.1Å; F80-V132 HydrophobicContact CE2-CG1 3.95Å; F80-V132 HydrophobicContact CE2-CG2 3.97Å; F80-V132 HydrophobicContact CZ-CG1 4.2Å; F80-V132 HydrophobicContact CZ-CG2 4.17Å |
| 81 | H | 85.9 | Confident | 69.5 | Low | 33 Ų | 33 | 62.4 Ų | 62.4 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.8 | 175.8 | -66 | 70 | 0 | 0 | 0 | 109.3 | L88 M89 F94 C122 C123 | H81-L88 CarbonylContact O-C 3.53Å; H81-L88 WeakPolarHBondContact O-CA 3.31Å; H81-M89 PolarHBondContact N-O 2.97Å; H81-M89 PolarHBondContact O-N 3.01Å; H81-F94 HydrophobicContact CB-CD1 4.35Å; H81-F94 HydrophobicContact CB-CG 4.35Å; H81-F94 AromaticContact CD2-CD1 3.96Å; H81-F94 AromaticContact CD2-CE1 3.88Å; H81-F94 AromaticContact CG-CD1 3.9Å; H81-C122 HydrophobicContact CB-CB 4.48Å; H81-C123 VanDerWaalsContact CA-O 3.31Å; H81-C123 WeakPolarHBondContact CA-O 3.37Å |
| 82 | W | 86.2 | Confident | 71.4 | Confident | 105 Ų | 105 | 60.3 Ų | 60.3 | 40% | 0.398 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 155.9 | 168.8 | 61.9 | 36.7 | 0 | 0 | 0 | 112.1 | H87 L88 C122 C123 N125 | W82-H87 CarbonylContact C-O 3.56Å; W82-H87 WeakPolarHBondContact CA-O 3.43Å; W82-L88 HydrophobicContact CB-CD2 4.19Å; W82-C122 VanDerWaalsContact O-CA 3.24Å; W82-C122 WeakPolarHBondContact O-CA 3.49Å; W82-C122 WeakPolarHBondContact O-CB 3.44Å; W82-C122 PolarHBondContact O-SG 2.9Å; W82-C123 PolarHBondContact N-O 3.48Å; W82-N125 HydrophobicContact CD2-CB 4.44Å; W82-N125 HydrophobicContact CE3-CB 4.08Å; W82-N125 HydrophobicContact CZ3-CB 4.37Å; W82-N125 WeakPolarHBondContact CZ3-ND2 3.27Å |
| 83 | C | 89.3 | Confident | 73.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | trans | -81.7 | 172.2 | 161.3 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | N85 G86 H87 M89 C110 C115 I117 | C83-N85 PolarHBondContact O-N 3.35Å; C83-N85 VanDerWaalsContact O-N 3.12Å; C83-N85 PolarHBondContact SG-N 2.97Å; C83-N85 VanDerWaalsContact SG-N 3.44Å; C83-G86 PolarHBondContact O-N 3.32Å; C83-H87 PolarHBondContact N-O 3.2Å; C83-H87 PolarHBondContact SG-N 2.79Å; C83-H87 VanDerWaalsContact SG-N 3.38Å; C83-M89 HydrophobicContact CB-CE 4.47Å; C83-C110 HydrophobicContact CB-CB 4.3Å; C83-C115 VanDerWaalsContact CB-SG 3.59Å; C83-I117 HydrophobicContact CB-CG2 4.05Å | ||
| 84 | T | 88.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.1 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | L121 | T84-L121 HydrophobicContact CG2-CB 4.5Š|
| 85 | N | 86.1 | Confident | 78.6 | Confident | 103 Ų | 103 | 52.9 Ų | 52.9 | 55% | 0.551 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.4 | 177.9 | -60.6 | -6.9 | 0 | 0 | 0 | 113.1 | C83 | C83-N85 PolarHBondContact O-N 3.35Å; C83-N85 VanDerWaalsContact O-N 3.12Å; C83-N85 PolarHBondContact SG-N 2.97Å; C83-N85 VanDerWaalsContact SG-N 3.44Å |
| 86 | G | 84.8 | Confident | 80.7 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | trans | 91.6 | 3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117 | C83 | C83-G86 PolarHBondContact O-N 3.32Š| ||
| 87 | H | 87.7 | Confident | 83 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 27% | 0.269 | 26% | 0.262 | S | S | . | . | trans | -73.4 | 132.1 | 175.9 | -58.7 | 107.2 | 0 | 0 | 0 | 111.8 | W82 C83 N112 C113 | W82-H87 CarbonylContact C-O 3.56Å; W82-H87 WeakPolarHBondContact CA-O 3.43Å; C83-H87 PolarHBondContact N-O 3.2Å; C83-H87 PolarHBondContact SG-N 2.79Å; C83-H87 VanDerWaalsContact SG-N 3.38Å; H87-N112 HydrophobicContact CB-CB 4.35Å; H87-N112 PolarHBondContact CD2-ND2 3.14Å; H87-N112 PolarHBondContact NE2-ND2 3.28Å; H87-C113 WeakPolarHBondContact CE1-CB 3.46Å; H87-C113 PolarHBondContact ND1-SG 3.05Å | ||
| 88 | L | 87.7 | Confident | 85 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 43% | 0.429 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 140 | -177 | -61.6 | 170.1 | 0 | 0 | 0 | 111.9 | H81 W82 V128 | H81-L88 CarbonylContact O-C 3.53Å; H81-L88 WeakPolarHBondContact O-CA 3.31Å; W82-L88 HydrophobicContact CB-CD2 4.19Å; L88-V128 HydrophobicContact CD1-CG1 4.07Å; L88-V128 HydrophobicContact CD1-CG2 3.96Å; L88-V128 HydrophobicContact CD2-CG1 4.47Å; L88-V128 HydrophobicContact CD2-CG2 4.01Å |
| 89 | M | 87.7 | Confident | 86.4 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.9 | 173.8 | -61.5 | 171.2 | -71.4 | 0 | 0 | 108 | H81 C83 F94 L97 I117 | H81-M89 PolarHBondContact N-O 2.97Å; H81-M89 PolarHBondContact O-N 3.01Å; C83-M89 HydrophobicContact CB-CE 4.47Å; M89-F94 HydrophobicContact CB-CB 4.35Å; M89-F94 HydrophobicContact CE-CD2 4Å; M89-L97 HydrophobicContact SD-CD1 3.91Å; M89-I117 HydrophobicContact CE-CD1 4.44Å; M89-I117 HydrophobicContact CE-CG2 4.17Å; M89-I117 HydrophobicContact SD-CD1 4.2Å |
| 90 | C | 85.5 | Confident | 87 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 158 | 169.4 | 79.3 | 0 | 0 | 0 | 0 | 110 | P74 A77 D79 F80 G92 C93 F94 | P74-C90 HydrophobicContact CB-CB 4.29Å; P74-C90 VanDerWaalsContact CB-SG 3.52Å; P74-C90 HydrophobicContact CG-CB 4.08Å; P74-C90 WeakPolarHBondContact CG-SG 3.3Å; A77-C90 HydrophobicContact CB-CB 4.07Å; D79-C90 CarbonylContact O-C 3.55Å; F80-C90 HydrophobicContact CD1-CB 4.33Å; F80-C90 HydrophobicContact CE1-CB 4.1Å; C90-G92 VanDerWaalsContact C-N 3.25Å; C90-G92 PolarHBondContact O-N 3.17Å; C90-C93 PolarHBondContact O-N 3.01Å; C90-C93 PolarHBondContact SG-N 2.8Å; C90-C93 PolarHBondContact SG-SG 3.49Å; C90-F94 WeakPolarHBondContact O-CB 3.29Å; C90-F94 PolarHBondContact O-N 3.07Å |
| 91 | A | 84.8 | Confident | 87.2 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D79 F94 I95 | D79-A91 HydrophobicContact CB-CB 3.54Å; D79-A91 PolarHBondContact O-N 2.91Å; A91-F94 PolarHBondContact O-N 2.96Å; A91-I95 WeakPolarHBondContact O-CB 3.25Å; A91-I95 WeakPolarHBondContact O-CG1 3.2Å; A91-I95 PolarHBondContact O-N 2.98Å |
| 92 | G | 83.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -51.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C90 I95 H96 | C90-G92 VanDerWaalsContact C-N 3.25Å; C90-G92 PolarHBondContact O-N 3.17Å; G92-I95 PolarHBondContact O-N 3.41Å; G92-H96 WeakPolarHBondContact O-CB 3.49Å; G92-H96 PolarHBondContact O-N 3.34Å |
| 93 | C | 85.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.5 | -42 | 176.9 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | C90 H96 L97 | C90-C93 PolarHBondContact O-N 3.01Å; C90-C93 PolarHBondContact SG-N 2.8Å; C90-C93 PolarHBondContact SG-SG 3.49Å; C93-H96 WeakPolarHBondContact O-CB 3.35Å; C93-H96 PolarHBondContact O-N 3.36Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.77Å |
| 94 | F | 88.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -50.3 | 177.5 | 176.1 | -121.7 | 0 | 0 | 0 | 111.6 | H81 M89 C90 A91 H96 L97 L98 I117 K119 C122 | H81-F94 HydrophobicContact CB-CD1 4.35Å; H81-F94 HydrophobicContact CB-CG 4.35Å; H81-F94 AromaticContact CD2-CD1 3.96Å; H81-F94 AromaticContact CD2-CE1 3.88Å; H81-F94 AromaticContact CG-CD1 3.9Å; M89-F94 HydrophobicContact CB-CB 4.35Å; M89-F94 HydrophobicContact CE-CD2 4Å; C90-F94 WeakPolarHBondContact O-CB 3.29Å; C90-F94 PolarHBondContact O-N 3.07Å; A91-F94 PolarHBondContact O-N 2.96Å; F94-H96 VanDerWaalsContact C-N 3.32Å; F94-H96 PolarHBondContact O-N 2.95Å; F94-L97 PolarHBondContact O-N 2.84Å; F94-L98 HydrophobicContact CD1-CD1 4.33Å; F94-L98 HydrophobicContact CD2-CG 4.43Å; F94-L98 HydrophobicContact CE1-CD1 3.83Å; F94-L98 HydrophobicContact CE2-CD1 4.01Å; F94-L98 HydrophobicContact CE2-CD2 4.21Å; F94-L98 HydrophobicContact CE2-CG 4.13Å; F94-L98 HydrophobicContact CZ-CD1 3.66Å; F94-L98 HydrophobicContact CZ-CG 4.29Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.63Å; F94-L98 VanDerWaalsContact O-N 3.08Å; F94-I117 HydrophobicContact CD2-CD1 4.31Å; F94-I117 HydrophobicContact CE2-CB 4.33Å; F94-I117 HydrophobicContact CE2-CD1 4.41Å; F94-K119 HydrophobicContact CE1-CG 4.41Å; F94-C122 HydrophobicContact CE2-CB 3.83Å; F94-C122 HydrophobicContact CZ-CB 3.75Å |
| 95 | I | 88.4 | Confident | 86.6 | Confident | 26 Ų | 26 | 41 Ų | 41 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 177.3 | -67.7 | -64.4 | 0 | 0 | 0 | 111.5 | A91 G92 L98 A99 N343 K344 A347 | A91-I95 WeakPolarHBondContact O-CB 3.25Å; A91-I95 WeakPolarHBondContact O-CG1 3.2Å; A91-I95 PolarHBondContact O-N 2.98Å; G92-I95 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 3.19Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.01Å; I95-N343 VanDerWaalsContact CG2-C 3.42Å; I95-N343 HydrophobicContact CG2-CB 3.75Å; I95-N343 WeakPolarHBondContact CG2-O 3.44Å; I95-K344 HydrophobicContact CG2-CB 4.43Å; I95-K344 HydrophobicContact CG2-CG 4.07Å; I95-A347 HydrophobicContact CD1-CB 4.1Å; I95-A347 HydrophobicContact CG2-CB 4.04Å |
| 96 | H | 87.5 | Confident | 86.6 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 174.5 | -168.2 | 129.1 | 0 | 0 | 0 | 111.4 | G92 C93 F94 L98 A99 D100 R281 | G92-H96 WeakPolarHBondContact O-CB 3.49Å; G92-H96 PolarHBondContact O-N 3.34Å; C93-H96 WeakPolarHBondContact O-CB 3.35Å; C93-H96 PolarHBondContact O-N 3.36Å; F94-H96 VanDerWaalsContact C-N 3.32Å; F94-H96 PolarHBondContact O-N 2.95Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 3Å; H96-A99 PolarHBondContact O-N 3.25Å; H96-D100 IonicContact CD2-OD2 3.1Å; H96-D100 PolarHBondContact CD2-OD2 2.75Å; H96-D100 VanDerWaalsContact CD2-OD2 3.23Å; H96-D100 IonicContact NE2-OD2 3.32Å; H96-D100 PolarHBondContact NE2-OD2 2.81Å; H96-D100 PolarHBondContact O-N 2.76Å; H96-R281 PolarHBondContact NE2-NH2 3.16Å |
| 97 | L | 89.6 | Confident | 86.8 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | -179.3 | -70.3 | 167.1 | 0 | 0 | 0 | 111.9 | M89 C93 F94 A99 D100 A101 P111 I117 | M89-L97 HydrophobicContact SD-CD1 3.91Å; C93-L97 VanDerWaalsContact O-CG 3.27Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.77Å; F94-L97 PolarHBondContact O-N 2.84Å; L97-A99 VanDerWaalsContact C-N 3.34Å; L97-D100 PolarHBondContact O-N 2.96Å; L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.81Å; L97-P111 HydrophobicContact CD1-CG 3.6Å; L97-P111 HydrophobicContact CD2-CG 4.07Å; L97-I117 HydrophobicContact CB-CD1 4.09Å; L97-I117 HydrophobicContact CD1-CD1 4.04Å |
| 98 | L | 90.4 | Very high | 87 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.9 | -67.8 | -177.6 | 0 | 0 | 0 | 112 | F94 I95 H96 R102 A108 I117 K119 A347 | F94-L98 HydrophobicContact CD1-CD1 4.33Å; F94-L98 HydrophobicContact CD2-CG 4.43Å; F94-L98 HydrophobicContact CE1-CD1 3.83Å; F94-L98 HydrophobicContact CE2-CD1 4.01Å; F94-L98 HydrophobicContact CE2-CD2 4.21Å; F94-L98 HydrophobicContact CE2-CG 4.13Å; F94-L98 HydrophobicContact CZ-CD1 3.66Å; F94-L98 HydrophobicContact CZ-CG 4.29Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.63Å; F94-L98 VanDerWaalsContact O-N 3.08Å; I95-L98 PolarHBondContact O-N 3.19Å; H96-L98 VanDerWaalsContact C-N 3.35Å; H96-L98 PolarHBondContact O-N 3Å; L98-R102 WeakPolarHBondContact O-CB 3.46Å; L98-R102 PolarHBondContact O-N 2.8Å; L98-R102 VanDerWaalsContact O-N 3.08Å; L98-A108 HydrophobicContact CD2-CB 3.68Å; L98-I117 HydrophobicContact CD2-CG1 4.44Å; L98-K119 HydrophobicContact CD1-CG 3.79Å; L98-A347 HydrophobicContact CB-CB 3.71Å; L98-A347 HydrophobicContact CD1-CB 4.26Å |
| 99 | A | 88.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.8 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I95 H96 L97 R102 L103 N343 L346 A347 | I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.01Å; H96-A99 PolarHBondContact O-N 3.25Å; L97-A99 VanDerWaalsContact C-N 3.34Å; A99-R102 WeakPolarHBondContact O-CB 3.48Å; A99-R102 PolarHBondContact O-N 2.97Å; A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.83Å; A99-N343 HydrophobicContact CB-CB 4.18Å; A99-L346 HydrophobicContact CB-CB 3.71Å; A99-A347 HydrophobicContact CB-CB 4.44Å |
| 100 | D | 86.9 | Confident | 87.4 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -51.6 | 172.5 | -101 | -16.6 | 0 | 0 | 0 | 112.1 | H96 L97 R102 L103 K104 R281 | H96-D100 IonicContact CD2-OD2 3.1Å; H96-D100 PolarHBondContact CD2-OD2 2.75Å; H96-D100 VanDerWaalsContact CD2-OD2 3.23Å; H96-D100 IonicContact NE2-OD2 3.32Å; H96-D100 PolarHBondContact NE2-OD2 2.81Å; H96-D100 PolarHBondContact O-N 2.76Å; L97-D100 PolarHBondContact O-N 2.96Å; D100-R102 PolarHBondContact O-N 2.82Å; D100-L103 PolarHBondContact O-N 3.4Å; D100-K104 WeakPolarHBondContact O-CG 3.46Å; D100-K104 PolarHBondContact O-N 3.02Å; D100-R281 VanDerWaalsContact CG-NH2 3.3Å; D100-R281 IonicContact OD1-CZ 2.81Å; D100-R281 IonicContact OD1-NH2 2.75Å; D100-R281 PolarHBondContact OD1-NH2 2.92Å; D100-R281 IonicContact OD2-NH2 3.67Å |
| 101 | A | 88 | Confident | 87.6 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.3 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L97 K104 E105 E106 A108 | L97-A101 WeakPolarHBondContact O-CB 3.3Å; L97-A101 PolarHBondContact O-N 2.81Å; A101-K104 PolarHBondContact O-N 2.98Å; A101-E105 PolarHBondContact O-N 2.98Å; A101-E106 CarbonylContact C-O 3.55Å; A101-E106 WeakPolarHBondContact CB-O 3.39Å; A101-E106 PolarHBondContact O-N 2.91Å; A101-A108 HydrophobicContact CB-CB 3.54Å |
| 102 | R | 86.8 | Confident | 87.7 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.3 | -178.4 | 61.2 | 61.7 | 154.8 | 1.5 | 112.5 | L98 A99 D100 K104 E105 R240 L248 | L98-R102 WeakPolarHBondContact O-CB 3.46Å; L98-R102 PolarHBondContact O-N 2.8Å; L98-R102 VanDerWaalsContact O-N 3.08Å; A99-R102 WeakPolarHBondContact O-CB 3.48Å; A99-R102 PolarHBondContact O-N 2.97Å; D100-R102 PolarHBondContact O-N 2.82Å; R102-K104 VanDerWaalsContact C-N 3.35Å; R102-E105 PolarHBondContact O-N 3.14Å; R102-R240 PolarHBondContact O-NH2 3.17Å; R102-L248 HydrophobicContact CG-CD2 3.82Å |
| 103 | L | 84.2 | Confident | 88 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -37 | 179.2 | -69.4 | 170.1 | 0 | 0 | 0 | 112.2 | A99 D100 E105 L248 V268 N276 | A99-L103 WeakPolarHBondContact O-CG 3.46Å; A99-L103 PolarHBondContact O-N 2.83Å; D100-L103 PolarHBondContact O-N 3.4Å; L103-E105 VanDerWaalsContact C-N 3.33Å; L103-L248 HydrophobicContact CD2-CD2 3.92Å; L103-V268 HydrophobicContact CD2-CB 4.49Å; L103-V268 HydrophobicContact CD2-CG1 4.04Å; L103-N276 VanDerWaalsContact CB-OD1 3.22Å; L103-N276 WeakPolarHBondContact CB-OD1 3.24Å |
| 104 | K | 81.8 | Confident | 88.3 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 39% | 0.391 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -81.3 | -7.5 | 179.5 | -65.9 | 177.2 | -175.7 | 174.7 | 0 | 114.8 | D100 A101 R102 E106 | D100-K104 WeakPolarHBondContact O-CG 3.46Å; D100-K104 PolarHBondContact O-N 3.02Å; A101-K104 PolarHBondContact O-N 2.98Å; R102-K104 VanDerWaalsContact C-N 3.35Å; K104-E106 HydrophobicContact CB-CB 4.22Å; K104-E106 HydrophobicContact CB-CG 3.91Å; K104-E106 PolarHBondContact O-N 2.93Å |
| 105 | E | 84 | Confident | 88.5 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 33.7 | -170.9 | -167.4 | 158.7 | -138.8 | 0 | 0 | 112.8 | A101 R102 L103 R240 T246 | A101-E105 PolarHBondContact O-N 2.98Å; R102-E105 PolarHBondContact O-N 3.14Å; L103-E105 VanDerWaalsContact C-N 3.33Å; E105-R240 VanDerWaalsContact CD-CD 3.42Å; E105-R240 VanDerWaalsContact CD-CZ 3.48Å; E105-R240 VanDerWaalsContact CD-NH1 3.31Å; E105-R240 WeakPolarHBondContact OE1-CD 3.32Å; E105-R240 IonicContact OE1-CZ 3.02Å; E105-R240 IonicContact OE1-NE 3.37Å; E105-R240 IonicContact OE1-NH1 2.65Å; E105-R240 PolarHBondContact OE1-NH1 3.42Å; E105-R240 WeakPolarHBondContact OE2-CD 3.16Å; E105-R240 IonicContact OE2-CZ 3.4Å; E105-R240 IonicContact OE2-NE 3.92Å; E105-R240 PolarHBondContact OE2-NE 2.93Å; E105-T246 PolarHBondContact OE2-OG1 3.41Å |
| 106 | E | 87.1 | Confident | 88.7 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 59% | 0.589 | 29% | 0.293 | S | S | * | . | trans | -109.5 | 161.7 | 179.9 | -70.6 | 174 | 174.1 | 0 | 0 | 110.6 | A101 K104 | A101-E106 CarbonylContact C-O 3.55Å; A101-E106 WeakPolarHBondContact CB-O 3.39Å; A101-E106 PolarHBondContact O-N 2.91Å; K104-E106 HydrophobicContact CB-CB 4.22Å; K104-E106 HydrophobicContact CB-CG 3.91Å; K104-E106 PolarHBondContact O-N 2.93Å | ||
| 107 | Q | 88.9 | Confident | 88.9 | Confident | 115 Ų | 115 | 57.2 Ų | 57.2 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | trans | -74.1 | 130.2 | 168.3 | -170.7 | 172.2 | 43.1 | 0 | 0 | 109.1 | T109 E116 | Q107-T109 PolarHBondContact O-N 3.14Å; Q107-E116 HydrophobicContact CG-CG 3.9Å; Q107-E116 PolarHBondContact NE2-OE1 2.9Å; Q107-E116 PolarHBondContact NE2-OE2 3.34Å; Q107-E116 VanDerWaalsContact NE2-OE2 3.07Å | ||
| 108 | A | 92.3 | Very high | 89 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | trans | -68.2 | 129.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L98 A101 I117 | L98-A108 HydrophobicContact CD2-CB 3.68Å; A101-A108 HydrophobicContact CB-CB 3.54Å; A108-I117 VanDerWaalsContact C-CG1 3.49Å; A108-I117 HydrophobicContact CB-CD1 4.26Å; A108-I117 HydrophobicContact CB-CG1 3.67Å; A108-I117 WeakPolarHBondContact O-CG1 3.49Å; A108-I117 PolarHBondContact O-N 2.98Å | ||
| 109 | T | 93.1 | Very high | 88.8 | Confident | 58 Ų | 58 | 60.9 Ų | 60.9 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -126.6 | 150.7 | -178.2 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | Q107 R114 C115 | Q107-T109 PolarHBondContact O-N 3.14Å; T109-R114 WeakPolarHBondContact CG2-O 3.4Å; T109-C115 CarbonylContact C-O 3.51Å; T109-C115 VanDerWaalsContact CA-O 3.3Å; T109-C115 WeakPolarHBondContact CA-O 3.28Å |
| 110 | C | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | trans | -63 | 129 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | C83 N112 R114 C115 I117 | C83-C110 HydrophobicContact CB-CB 4.3Å; C110-N112 PolarHBondContact O-N 3.1Å; C110-N112 VanDerWaalsContact O-N 3.17Å; C110-R114 WeakPolarHBondContact O-CA 3.41Å; C110-R114 PolarHBondContact O-N 2.91Å; C110-C115 PolarHBondContact N-O 3.42Å; C110-I117 HydrophobicContact CB-CG2 3.89Å | ||
| 111 | P | 89.2 | Confident | 88.8 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.5 | 179.1 | -24.9 | 34.3 | 0 | 0 | 0 | 113.9 | L97 | L97-P111 HydrophobicContact CD1-CG 3.6Å; L97-P111 HydrophobicContact CD2-CG 4.07Å |
| 112 | N | 88 | Confident | 88.8 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -53.5 | -178 | -156.1 | 61.7 | 0 | 0 | 0 | 112.4 | H87 C110 | H87-N112 HydrophobicContact CB-CB 4.35Å; H87-N112 PolarHBondContact CD2-ND2 3.14Å; H87-N112 PolarHBondContact NE2-ND2 3.28Å; C110-N112 PolarHBondContact O-N 3.1Å; C110-N112 VanDerWaalsContact O-N 3.17Å |
| 113 | C | 89.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 28% | 0.277 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 2.7 | -173 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | H87 C115 | H87-C113 WeakPolarHBondContact CE1-CB 3.46Å; H87-C113 PolarHBondContact ND1-SG 3.05Å; C113-C115 PolarHBondContact O-N 3.37Å; C113-C115 PolarHBondContact SG-SG 3.19Å |
| 114 | R | 91.7 | Very high | 88.8 | Confident | 205 Ų | 205 | 72.9 Ų | 72.9 | 77% | 0.774 | 37% | 0.369 | S | S | * | . | trans | 59.1 | 9.6 | 176.8 | -54.1 | 177.9 | -178 | -119.2 | 0.5 | 116.2 | T109 C110 | T109-R114 WeakPolarHBondContact CG2-O 3.4Å; C110-R114 WeakPolarHBondContact O-CA 3.41Å; C110-R114 PolarHBondContact O-N 2.91Å | ||
| 115 | C | 91.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -62.9 | 152.5 | 171.4 | 73.9 | 0 | 0 | 0 | 0 | 109.9 | C83 T109 C110 C113 I117 | C83-C115 VanDerWaalsContact CB-SG 3.59Å; T109-C115 CarbonylContact C-O 3.51Å; T109-C115 VanDerWaalsContact CA-O 3.3Å; T109-C115 WeakPolarHBondContact CA-O 3.28Å; C110-C115 PolarHBondContact N-O 3.42Å; C113-C115 PolarHBondContact O-N 3.37Å; C113-C115 PolarHBondContact SG-SG 3.19Å; C115-I117 PolarHBondContact O-N 3.41Å | ||
| 116 | E | 93.3 | Very high | 88.7 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -57.9 | 136.6 | 174.4 | -178.9 | 177.1 | -163.1 | 0 | 0 | 110.7 | Q107 L121 | Q107-E116 HydrophobicContact CG-CG 3.9Å; Q107-E116 PolarHBondContact NE2-OE1 2.9Å; Q107-E116 PolarHBondContact NE2-OE2 3.34Å; Q107-E116 VanDerWaalsContact NE2-OE2 3.07Å; E116-L121 HydrophobicContact CB-CD1 4.19Å; E116-L121 HydrophobicContact CG-CD1 3.74Å |
| 117 | I | 92.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | trans | -123 | 140 | 173.9 | 62.3 | 170.2 | 0 | 0 | 0 | 110.1 | C83 M89 F94 L97 L98 A108 C110 C115 | C83-I117 HydrophobicContact CB-CG2 4.05Å; M89-I117 HydrophobicContact CE-CD1 4.44Å; M89-I117 HydrophobicContact CE-CG2 4.17Å; M89-I117 HydrophobicContact SD-CD1 4.2Å; F94-I117 HydrophobicContact CD2-CD1 4.31Å; F94-I117 HydrophobicContact CE2-CB 4.33Å; F94-I117 HydrophobicContact CE2-CD1 4.41Å; L97-I117 HydrophobicContact CB-CD1 4.09Å; L97-I117 HydrophobicContact CD1-CD1 4.04Å; L98-I117 HydrophobicContact CD2-CG1 4.44Å; A108-I117 VanDerWaalsContact C-CG1 3.49Å; A108-I117 HydrophobicContact CB-CD1 4.26Å; A108-I117 HydrophobicContact CB-CG1 3.67Å; A108-I117 WeakPolarHBondContact O-CG1 3.49Å; A108-I117 PolarHBondContact O-N 2.98Å; C110-I117 HydrophobicContact CB-CG2 3.89Å; C115-I117 PolarHBondContact O-N 3.41Å | ||
| 118 | S | 90.6 | Very high | 87.8 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | trans | -159.1 | 165.7 | 176.3 | 70.9 | 0 | 0 | 0 | 0 | 110 | S120 L121 C122 | S118-S120 PolarHBondContact O-N 2.74Å; S118-S120 VanDerWaalsContact O-N 3.11Å; S118-S120 PolarHBondContact OG-N 2.98Å; S118-S120 PolarHBondContact OG-OG 2.86Å; S118-S120 VanDerWaalsContact OG-OG 3.08Å; S118-L121 PolarHBondContact O-N 3.1Å; S118-L121 WeakPolarHBondContact OG-CB 3.44Å; S118-L121 VanDerWaalsContact OG-CG 3.31Å; S118-L121 WeakPolarHBondContact OG-CG 3.43Å; S118-L121 PolarHBondContact OG-N 2.94Å; S118-C122 WeakPolarHBondContact O-CB 3.02Å; S118-C122 PolarHBondContact O-N 3.46Å | ||
| 119 | K | 86.6 | Confident | 87.3 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.2 | 176.3 | -66.1 | -173.2 | 179.7 | -176.3 | 0 | 113.5 | F94 L98 | F94-K119 HydrophobicContact CE1-CG 4.41Å; L98-K119 HydrophobicContact CD1-CG 3.79Å |
| 120 | S | 86.8 | Confident | 86.7 | Confident | 107 Ų | 107 | 67.9 Ų | 67.9 | 75% | 0.748 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -23.7 | 177.9 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | S118 | S118-S120 PolarHBondContact O-N 2.74Å; S118-S120 VanDerWaalsContact O-N 3.11Å; S118-S120 PolarHBondContact OG-N 2.98Å; S118-S120 PolarHBondContact OG-OG 2.86Å; S118-S120 VanDerWaalsContact OG-OG 3.08Å |
| 121 | L | 87.8 | Confident | 86.2 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -32 | -179.8 | -69 | 171.1 | 0 | 0 | 0 | 112.5 | T84 E116 S118 | T84-L121 HydrophobicContact CG2-CB 4.5Å; E116-L121 HydrophobicContact CB-CD1 4.19Å; E116-L121 HydrophobicContact CG-CD1 3.74Å; S118-L121 PolarHBondContact O-N 3.1Å; S118-L121 WeakPolarHBondContact OG-CB 3.44Å; S118-L121 VanDerWaalsContact OG-CG 3.31Å; S118-L121 WeakPolarHBondContact OG-CG 3.43Å; S118-L121 PolarHBondContact OG-N 2.94Å |
| 122 | C | 87.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | trans | -92.4 | 131.9 | 179.6 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | H81 W82 F94 S118 | H81-C122 HydrophobicContact CB-CB 4.48Å; W82-C122 VanDerWaalsContact O-CA 3.24Å; W82-C122 WeakPolarHBondContact O-CA 3.49Å; W82-C122 WeakPolarHBondContact O-CB 3.44Å; W82-C122 PolarHBondContact O-SG 2.9Å; F94-C122 HydrophobicContact CE2-CB 3.83Å; F94-C122 HydrophobicContact CZ-CB 3.75Å; S118-C122 WeakPolarHBondContact O-CB 3.02Å; S118-C122 PolarHBondContact O-N 3.46Å | ||
| 123 | C | 85.4 | Confident | 85.6 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 148.7 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | H81 W82 | H81-C123 VanDerWaalsContact CA-O 3.31Å; H81-C123 WeakPolarHBondContact CA-O 3.37Å; W82-C123 PolarHBondContact N-O 3.48Å |
| 124 | R | 86.3 | Confident | 85.3 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.3 | 170.8 | -172.8 | 177 | 169.4 | 168 | 0.1 | 110.1 | D79 F80 L126 E129 | D79-R124 IonicContact OD1-CZ 2.63Å; D79-R124 IonicContact OD1-NE 3.15Å; D79-R124 IonicContact OD1-NH1 3.33Å; D79-R124 PolarHBondContact OD1-NH1 3.24Å; D79-R124 IonicContact OD1-NH2 3.26Å; D79-R124 PolarHBondContact OD1-NH2 3.49Å; D79-R124 IonicContact OD2-NH1 3.71Å; F80-R124 CarbonylContact O-C 3.6Å; F80-R124 VanDerWaalsContact O-CA 3.31Å; F80-R124 WeakPolarHBondContact O-CA 3.47Å; R124-L126 HydrophobicContact CG-CD2 4.19Å; R124-E129 WeakPolarHBondContact CD-OE1 3.23Å; R124-E129 WeakPolarHBondContact CG-OE1 3.44Å; R124-E129 IonicContact CZ-OE1 2.58Å; R124-E129 IonicContact CZ-OE2 3.9Å; R124-E129 IonicContact NE-OE1 2.77Å; R124-E129 PolarHBondContact NE-OE1 3.29Å; R124-E129 IonicContact NE-OE2 2.9Å; R124-E129 PolarHBondContact NE-OE2 2.82Å; R124-E129 IonicContact NH2-OE1 3.72Å; R124-E129 IonicContact NH2-OE2 2.72Å; R124-E129 PolarHBondContact NH2-OE2 3.37Å |
| 125 | N | 82.8 | Confident | 85 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | trans | -106.8 | 88.3 | -177.8 | -173.8 | -19.5 | 0 | 0 | 0 | 111.1 | F80 W82 A127 V128 E129 | F80-N125 PolarHBondContact O-N 3.38Å; W82-N125 HydrophobicContact CD2-CB 4.44Å; W82-N125 HydrophobicContact CE3-CB 4.08Å; W82-N125 HydrophobicContact CZ3-CB 4.37Å; W82-N125 WeakPolarHBondContact CZ3-ND2 3.27Å; N125-A127 PolarHBondContact O-N 3.09Å; N125-A127 WeakPolarHBondContact OD1-CB 3.49Å; N125-A127 PolarHBondContact OD1-N 3.21Å; N125-A127 VanDerWaalsContact OD1-N 3.14Å; N125-V128 HydrophobicContact CB-CB 4.29Å; N125-V128 HydrophobicContact CB-CG2 4.44Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.36Å; N125-V128 PolarHBondContact O-N 3.06Å; N125-V128 PolarHBondContact OD1-N 3.28Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.24Å; N125-E129 VanDerWaalsContact O-N 3.1Å | ||
| 126 | L | 79.9 | Confident | 84.8 | Confident | 113 Ų | 113 | 62.2 Ų | 62.2 | 59% | 0.592 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.5 | -28.3 | 179.8 | -57.5 | -179.5 | 0 | 0 | 0 | 113.4 | R124 E129 K130 | R124-L126 HydrophobicContact CG-CD2 4.19Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.26Å; L126-E129 PolarHBondContact O-N 3.05Å; L126-K130 WeakPolarHBondContact O-CB 3.05Å; L126-K130 PolarHBondContact O-N 3.4Å |
| 127 | A | 76.5 | Confident | 84.5 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.2 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N125 K130 A131 | N125-A127 PolarHBondContact O-N 3.09Å; N125-A127 WeakPolarHBondContact OD1-CB 3.49Å; N125-A127 PolarHBondContact OD1-N 3.21Å; N125-A127 VanDerWaalsContact OD1-N 3.14Å; A127-K130 PolarHBondContact O-N 3.45Å; A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 3.35Å |
| 128 | V | 82.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 173.6 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | F80 L88 N125 K130 A131 V132 | F80-V128 HydrophobicContact CB-CG1 4.07Å; F80-V128 HydrophobicContact CD1-CG1 4.32Å; F80-V128 HydrophobicContact CD2-CG1 4.08Å; F80-V128 HydrophobicContact CG-CG1 3.89Å; L88-V128 HydrophobicContact CD1-CG1 4.07Å; L88-V128 HydrophobicContact CD1-CG2 3.96Å; L88-V128 HydrophobicContact CD2-CG1 4.47Å; L88-V128 HydrophobicContact CD2-CG2 4.01Å; N125-V128 HydrophobicContact CB-CB 4.29Å; N125-V128 HydrophobicContact CB-CG2 4.44Å; N125-V128 WeakPolarHBondContact ND2-CG2 3.36Å; N125-V128 PolarHBondContact O-N 3.06Å; N125-V128 PolarHBondContact OD1-N 3.28Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.77Å; V128-A131 PolarHBondContact O-N 3.5Å; V128-V132 HydrophobicContact CG1-CG2 4.11Å; V128-V132 WeakPolarHBondContact O-CB 3.49Å; V128-V132 VanDerWaalsContact O-CG2 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.29Å; V128-V132 PolarHBondContact O-N 2.87Å |
| 129 | E | 81.4 | Confident | 84.4 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 176.2 | -68.7 | 170.9 | -165 | 0 | 0 | 111.9 | F78 D79 F80 R124 N125 L126 V132 S133 | F78-E129 WeakPolarHBondContact O-CG 3.15Å; D79-E129 VanDerWaalsContact CA-OE1 3.31Å; D79-E129 WeakPolarHBondContact CA-OE1 3.26Å; F80-E129 HydrophobicContact CB-CG 4.22Å; F80-E129 HydrophobicContact CD2-CG 3.83Å; F80-E129 PolarHBondContact N-OE1 3.35Å; R124-E129 WeakPolarHBondContact CD-OE1 3.23Å; R124-E129 WeakPolarHBondContact CG-OE1 3.44Å; R124-E129 IonicContact CZ-OE1 2.58Å; R124-E129 IonicContact CZ-OE2 3.9Å; R124-E129 IonicContact NE-OE1 2.77Å; R124-E129 PolarHBondContact NE-OE1 3.29Å; R124-E129 IonicContact NE-OE2 2.9Å; R124-E129 PolarHBondContact NE-OE2 2.82Å; R124-E129 IonicContact NH2-OE1 3.72Å; R124-E129 IonicContact NH2-OE2 2.72Å; R124-E129 PolarHBondContact NH2-OE2 3.37Å; N125-E129 WeakPolarHBondContact O-CG 3.4Å; N125-E129 PolarHBondContact O-N 3.24Å; N125-E129 VanDerWaalsContact O-N 3.1Å; L126-E129 WeakPolarHBondContact CD2-OE2 3.26Å; L126-E129 PolarHBondContact O-N 3.05Å; E129-V132 PolarHBondContact O-N 2.91Å; E129-S133 WeakPolarHBondContact O-CB 3.08Å; E129-S133 PolarHBondContact O-N 3.2Å |
| 130 | K | 79.6 | Confident | 84.5 | Confident | 147 Ų | 147 | 61.1 Ų | 61.1 | 64% | 0.639 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 176.5 | -170.2 | 171.6 | -176 | 176.4 | 0 | 112.2 | L126 A127 V128 S133 E134 | L126-K130 WeakPolarHBondContact O-CB 3.05Å; L126-K130 PolarHBondContact O-N 3.4Å; A127-K130 PolarHBondContact O-N 3.45Å; V128-K130 VanDerWaalsContact C-N 3.32Å; V128-K130 PolarHBondContact O-N 2.77Å; K130-S133 WeakPolarHBondContact CA-OG 3.37Å; K130-S133 PolarHBondContact O-N 3.46Å; K130-S133 PolarHBondContact O-OG 3.4Å; K130-E134 WeakPolarHBondContact O-CG 2.92Å; K130-E134 PolarHBondContact O-N 3.5Å |
| 131 | A | 81 | Confident | 84.6 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A127 V128 S133 E134 | A127-A131 WeakPolarHBondContact O-CB 3.31Å; A127-A131 PolarHBondContact O-N 3.35Å; V128-A131 PolarHBondContact O-N 3.5Å; A131-S133 VanDerWaalsContact C-N 3.34Å; A131-E134 PolarHBondContact O-N 3.34Å |
| 132 | V | 82.6 | Confident | 84.8 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L75 F80 V128 E129 E134 L135 | L75-V132 HydrophobicContact CD2-CG1 4.14Å; F80-V132 HydrophobicContact CE2-CB 4.1Å; F80-V132 HydrophobicContact CE2-CG1 3.95Å; F80-V132 HydrophobicContact CE2-CG2 3.97Å; F80-V132 HydrophobicContact CZ-CG1 4.2Å; F80-V132 HydrophobicContact CZ-CG2 4.17Å; V128-V132 HydrophobicContact CG1-CG2 4.11Å; V128-V132 WeakPolarHBondContact O-CB 3.49Å; V128-V132 VanDerWaalsContact O-CG2 3.25Å; V128-V132 WeakPolarHBondContact O-CG2 3.29Å; V128-V132 PolarHBondContact O-N 2.87Å; E129-V132 PolarHBondContact O-N 2.91Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-L135 HydrophobicContact CG1-CD1 4.44Å; V132-L135 WeakPolarHBondContact O-CB 3.16Å; V132-L135 PolarHBondContact O-N 3.15Å |
| 133 | S | 80.2 | Confident | 84.9 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.4 | -25.3 | 177.5 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | E129 K130 A131 R148 S149 | E129-S133 WeakPolarHBondContact O-CB 3.08Å; E129-S133 PolarHBondContact O-N 3.2Å; K130-S133 WeakPolarHBondContact CA-OG 3.37Å; K130-S133 PolarHBondContact O-N 3.46Å; K130-S133 PolarHBondContact O-OG 3.4Å; A131-S133 VanDerWaalsContact C-N 3.34Å; S133-R148 CarbonylContact O-C 3.59Å; S133-R148 WeakPolarHBondContact O-CB 3.4Å; S133-R148 PolarHBondContact O-N 3.08Å; S133-S149 PolarHBondContact O-N 3.17Å; S133-S149 PolarHBondContact O-OG 3.46Å |
| 134 | E | 83.6 | Confident | 85.2 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7 | 177.2 | -63.2 | -55.2 | 124.3 | 0 | 0 | 113.3 | K130 A131 V132 S149 | K130-E134 WeakPolarHBondContact O-CG 2.92Å; K130-E134 PolarHBondContact O-N 3.5Å; A131-E134 PolarHBondContact O-N 3.34Å; V132-E134 PolarHBondContact O-N 3.36Å; E134-S149 PolarHBondContact OE1-OG 3.45Å |
| 135 | L | 85.8 | Confident | 85.4 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -65.1 | 143.4 | 176.9 | -67.7 | 176.4 | 0 | 0 | 0 | 110.8 | F40 V132 R148 | F40-L135 HydrophobicContact CZ-CD2 4.03Å; V132-L135 HydrophobicContact CG1-CD1 4.44Å; V132-L135 WeakPolarHBondContact O-CB 3.16Å; V132-L135 PolarHBondContact O-N 3.15Å; L135-R148 WeakPolarHBondContact O-CG 3.4Å; L135-R148 PolarHBondContact O-N 3.34Å |
| 136 | P | 86.9 | Confident | 85.6 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 140.8 | 177 | 28.1 | -33.8 | 0 | 0 | 0 | 110.6 | F146 | P136-F146 CarbonylContact C-O 3.58Å; P136-F146 WeakPolarHBondContact CA-O 3.48Å |
| 137 | S | 87.3 | Confident | 86 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 146.2 | 171 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | Q145 F146 | S137-Q145 WeakPolarHBondContact O-CA 3.4Å; S137-F146 PolarHBondContact N-O 3.48Å; S137-F146 PolarHBondContact O-N 2.81Å; S137-F146 VanDerWaalsContact O-O 3.12Å |
| 138 | E | 90.5 | Very high | 86.4 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 140.5 | -179.1 | -67.6 | 174.1 | -177.3 | 0 | 0 | 111.3 | R144 Q145 | E138-R144 WeakPolarHBondContact CA-O 3.4Å; E138-Q145 HydrophobicContact CG-CG 3.9Å |
| 139 | C | 90.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | trans | -71.3 | 125.7 | 169 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | F141 C142 L143 R144 F146 L151 H154 | C139-F141 PolarHBondContact O-N 3.28Å; C139-C142 VanDerWaalsContact CB-SG 3.54Å; C139-C142 VanDerWaalsContact SG-SG 3.69Å; C139-L143 WeakPolarHBondContact O-CA 3.43Å; C139-L143 PolarHBondContact O-N 2.79Å; C139-R144 PolarHBondContact N-O 3.36Å; C139-F146 HydrophobicContact CB-CD2 4.23Å; C139-F146 HydrophobicContact CB-CE2 4.19Å; C139-L151 HydrophobicContact CB-CD1 4.09Å; C139-H154 VanDerWaalsContact SG-CD2 3.53Å | ||
| 140 | G | 88.8 | Confident | 86.8 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -7.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 141 | F | 90.2 | Very high | 87.2 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -59.4 | 177.3 | -53.3 | -64.8 | 0 | 0 | 0 | 112.1 | C139 Q155 D161 R162 V163 | C139-F141 PolarHBondContact O-N 3.28Å; F141-Q155 HydrophobicContact CD2-CB 4.35Å; F141-Q155 HydrophobicContact CD2-CG 4.01Å; F141-Q155 HydrophobicContact CE2-CB 3.96Å; F141-Q155 HydrophobicContact CE2-CG 3.93Å; F141-D161 HydrophobicContact CB-CB 3.86Å; F141-R162 HydrophobicContact CD2-CB 4.49Å; F141-V163 HydrophobicContact CD1-CG2 4.47Å; F141-V163 HydrophobicContact CE1-CG2 3.97Å |
| 142 | C | 90.6 | Very high | 87.5 | Confident | 23 Ų | 23 | 65.6 Ų | 65.6 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -2.3 | -174.4 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | C139 R144 H154 D161 | C139-C142 VanDerWaalsContact CB-SG 3.54Å; C139-C142 VanDerWaalsContact SG-SG 3.69Å; C142-R144 PolarHBondContact O-N 3.03Å; C142-H154 PolarHBondContact SG-NE2 3.4Å; C142-H154 VanDerWaalsContact SG-NE2 3.39Å; C142-D161 WeakPolarHBondContact CA-OD2 3.43Å; C142-D161 HydrophobicContact CB-CB 4.34Å; C142-D161 WeakPolarHBondContact CB-OD2 3.38Å |
| 143 | L | 91.5 | Very high | 87.9 | Confident | 123 Ų | 123 | 70.3 Ų | 70.3 | 64% | 0.644 | 36% | 0.36 | S | S | * | . | trans | 58.1 | 10.3 | -179.9 | -54.8 | 175.5 | 0 | 0 | 0 | 115.5 | C139 | C139-L143 WeakPolarHBondContact O-CA 3.43Å; C139-L143 PolarHBondContact O-N 2.79Å | ||
| 144 | R | 89.8 | Confident | 88.4 | Confident | 175 Ų | 175 | 69.9 Ų | 69.9 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | trans | -79.1 | 149.5 | 174.7 | -62.5 | 179.7 | -170.8 | -179.8 | 2.8 | 110.8 | E138 C139 C142 F146 | E138-R144 WeakPolarHBondContact CA-O 3.4Å; C139-R144 PolarHBondContact N-O 3.36Å; C142-R144 PolarHBondContact O-N 3.03Å; R144-F146 HydrophobicContact CB-CD2 4.42Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 4.04Å; R144-F146 WeakPolarHBondContact O-CD2 3.41Å | ||
| 145 | Q | 91.3 | Very high | 88.7 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132.3 | 178.6 | -68.1 | -174.6 | -7.2 | 0 | 0 | 111.5 | S137 E138 | S137-Q145 WeakPolarHBondContact O-CA 3.4Å; E138-Q145 HydrophobicContact CG-CG 3.9Å |
| 146 | F | 88 | Confident | 88.8 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 21% | 0.211 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 155.4 | 173.3 | -62.4 | -86.2 | 0 | 0 | 0 | 109.9 | P136 S137 C139 R144 R148 L151 H154 | P136-F146 CarbonylContact C-O 3.58Å; P136-F146 WeakPolarHBondContact CA-O 3.48Å; S137-F146 PolarHBondContact N-O 3.48Å; S137-F146 PolarHBondContact O-N 2.81Å; S137-F146 VanDerWaalsContact O-O 3.12Å; C139-F146 HydrophobicContact CB-CD2 4.23Å; C139-F146 HydrophobicContact CB-CE2 4.19Å; R144-F146 HydrophobicContact CB-CD2 4.42Å; R144-F146 HydrophobicContact CB-CE2 3.61Å; R144-F146 HydrophobicContact CB-CZ 4.04Å; R144-F146 WeakPolarHBondContact O-CD2 3.41Å; F146-R148 PolarHBondContact O-N 3.25Å; F146-L151 HydrophobicContact CB-CD1 4.16Å; F146-L151 HydrophobicContact CD2-CD1 4.21Å; F146-H154 AromaticContact CD2-CD2 3.88Å; F146-H154 AromaticContact CE1-ND1 3.92Å; F146-H154 AromaticContact CE2-CD2 3.5Å; F146-H154 AromaticContact CE2-CE1 3.58Å; F146-H154 AromaticContact CE2-CG 3.87Å; F146-H154 AromaticContact CE2-ND1 3.91Å; F146-H154 AromaticContact CE2-NE2 3.32Å; F146-H154 VanDerWaalsContact CE2-NE2 3.32Å; F146-H154 WeakPolarHBondContact CE2-NE2 3.26Å; F146-H154 AromaticContact CZ-CD2 3.98Å; F146-H154 AromaticContact CZ-CE1 3.32Å; F146-H154 WeakPolarHBondContact CZ-CE1 3.49Å; F146-H154 AromaticContact CZ-CG 3.95Å; F146-H154 AromaticContact CZ-ND1 3.56Å; F146-H154 AromaticContact CZ-NE2 3.61Å |
| 147 | P | 87.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 76 Ų | 76 | 26% | 0.26 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 137.8 | 163.5 | -22.3 | 33.6 | 0 | 0 | 0 | 110 | S149 L150 L151 | P147-S149 PolarHBondContact O-N 3.45Å; P147-S149 VanDerWaalsContact O-N 3.17Å; P147-L150 HydrophobicContact CB-CG 4.41Å; P147-L150 HydrophobicContact CG-CD1 4.13Å; P147-L150 PolarHBondContact O-N 3.33Å; P147-L151 PolarHBondContact O-N 3.26Å; P147-L151 VanDerWaalsContact O-N 3.14Å |
| 148 | R | 85.9 | Confident | 89.1 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.6 | -35.7 | 178.9 | -73.2 | 176.8 | -167.6 | 172.4 | 5.5 | 112.8 | L75 S133 L135 F146 L150 L151 | L75-R148 PolarHBondContact O-NH1 3.12Å; L75-R148 VanDerWaalsContact O-NH1 3.1Å; S133-R148 CarbonylContact O-C 3.59Å; S133-R148 WeakPolarHBondContact O-CB 3.4Å; S133-R148 PolarHBondContact O-N 3.08Å; L135-R148 WeakPolarHBondContact O-CG 3.4Å; L135-R148 PolarHBondContact O-N 3.34Å; F146-R148 PolarHBondContact O-N 3.25Å; R148-L150 PolarHBondContact O-N 3.4Å; R148-L151 WeakPolarHBondContact O-CB 3.43Å; R148-L151 PolarHBondContact O-N 3.16Å |
| 149 | S | 82.9 | Confident | 89.2 | Confident | 53 Ų | 53 | 72.8 Ų | 72.8 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -29.9 | 176 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | S133 E134 P147 | S133-S149 PolarHBondContact O-N 3.17Å; S133-S149 PolarHBondContact O-OG 3.46Å; E134-S149 PolarHBondContact OE1-OG 3.45Å; P147-S149 PolarHBondContact O-N 3.45Å; P147-S149 VanDerWaalsContact O-N 3.17Å |
| 150 | L | 87.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -99.4 | -13 | -179.2 | -59.8 | -178 | 0 | 0 | 0 | 113.1 | P147 R148 E152 R153 H154 | P147-L150 HydrophobicContact CB-CG 4.41Å; P147-L150 HydrophobicContact CG-CD1 4.13Å; P147-L150 PolarHBondContact O-N 3.33Å; R148-L150 PolarHBondContact O-N 3.4Å; L150-E152 PolarHBondContact O-N 3.17Å; L150-R153 PolarHBondContact O-N 3.08Å; L150-H154 WeakPolarHBondContact O-CB 3.33Å; L150-H154 PolarHBondContact O-N 3.24Å |
| 151 | L | 88.7 | Confident | 89.3 | Confident | 22 Ų | 22 | 77.3 Ų | 77.3 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | -171.2 | -167.9 | 68.4 | 0 | 0 | 0 | 112.5 | C139 F146 P147 R148 H154 Q155 | C139-L151 HydrophobicContact CB-CD1 4.09Å; F146-L151 HydrophobicContact CB-CD1 4.16Å; F146-L151 HydrophobicContact CD2-CD1 4.21Å; P147-L151 PolarHBondContact O-N 3.26Å; P147-L151 VanDerWaalsContact O-N 3.14Å; R148-L151 WeakPolarHBondContact O-CB 3.43Å; R148-L151 PolarHBondContact O-N 3.16Å; L151-H154 PolarHBondContact O-N 3.09Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.41Å |
| 152 | E | 87.1 | Confident | 89.4 | Confident | 106 Ų | 106 | 74.7 Ų | 74.7 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.5 | -46.2 | 179.3 | -173.6 | -179 | 175.4 | 0 | 0 | 111.5 | L150 H154 Q155 K156 | L150-E152 PolarHBondContact O-N 3.17Å; E152-H154 VanDerWaalsContact C-N 3.34Å; E152-Q155 PolarHBondContact O-N 3.21Å; E152-K156 HydrophobicContact CG-CD 4.09Å; E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.43Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.03Å; E152-K156 PolarHBondContact OE1-NZ 3.48Å |
| 153 | R | 90.1 | Very high | 89.4 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.1 | -170 | -179.2 | 73.8 | -164.1 | -0.5 | 110.8 | L150 Q155 K156 E157 E158 | L150-R153 PolarHBondContact O-N 3.08Å; R153-Q155 PolarHBondContact O-N 3.09Å; R153-K156 PolarHBondContact O-N 3.16Å; R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 PolarHBondContact O-N 2.83Å; R153-E158 IonicContact CZ-OE1 3.31Å; R153-E158 VanDerWaalsContact CZ-OE1 3.31Å; R153-E158 IonicContact NE-OE1 2.79Å; R153-E158 PolarHBondContact NE-OE1 3.35Å; R153-E158 IonicContact NH2-OE1 3.09Å; R153-E158 PolarHBondContact NH2-OE1 2.94Å; R153-E158 VanDerWaalsContact NH2-OE1 3.09Å |
| 154 | H | 90.9 | Very high | 89.5 | Confident | 13 Ų | 13 | 73 Ų | 73 | 6% | 0.06 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -56.9 | -52.3 | 175.9 | 174.9 | 72.3 | 0 | 0 | 0 | 111.3 | C139 C142 F146 L150 L151 E152 K156 E158 C159 | C139-H154 VanDerWaalsContact SG-CD2 3.53Å; C142-H154 PolarHBondContact SG-NE2 3.4Å; C142-H154 VanDerWaalsContact SG-NE2 3.39Å; F146-H154 AromaticContact CD2-CD2 3.88Å; F146-H154 AromaticContact CE1-ND1 3.92Å; F146-H154 AromaticContact CE2-CD2 3.5Å; F146-H154 AromaticContact CE2-CE1 3.58Å; F146-H154 AromaticContact CE2-CG 3.87Å; F146-H154 AromaticContact CE2-ND1 3.91Å; F146-H154 AromaticContact CE2-NE2 3.32Å; F146-H154 VanDerWaalsContact CE2-NE2 3.32Å; F146-H154 WeakPolarHBondContact CE2-NE2 3.26Å; F146-H154 AromaticContact CZ-CD2 3.98Å; F146-H154 AromaticContact CZ-CE1 3.32Å; F146-H154 WeakPolarHBondContact CZ-CE1 3.49Å; F146-H154 AromaticContact CZ-CG 3.95Å; F146-H154 AromaticContact CZ-ND1 3.56Å; F146-H154 AromaticContact CZ-NE2 3.61Å; L150-H154 WeakPolarHBondContact O-CB 3.33Å; L150-H154 PolarHBondContact O-N 3.24Å; L151-H154 PolarHBondContact O-N 3.09Å; E152-H154 VanDerWaalsContact C-N 3.34Å; H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 3.33Å; H154-E158 IonicContact ND1-OE2 3.93Å; H154-E158 PolarHBondContact O-N 3.22Å; H154-C159 VanDerWaalsContact NE2-CB 3.31Å; H154-C159 WeakPolarHBondContact NE2-CB 3.46Å; H154-C159 PolarHBondContact NE2-SG 3.46Å; H154-C159 VanDerWaalsContact NE2-SG 3.4Å; H154-C159 WeakPolarHBondContact O-CB 3.5Å; H154-C159 PolarHBondContact O-N 3.32Å |
| 155 | Q | 90.1 | Very high | 89.7 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 28% | 0.28 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -61.4 | -36.5 | -179.1 | -76.4 | 176.5 | -6.5 | 0 | 0 | 113.1 | F141 L151 E152 R153 R162 | F141-Q155 HydrophobicContact CD2-CB 4.35Å; F141-Q155 HydrophobicContact CD2-CG 4.01Å; F141-Q155 HydrophobicContact CE2-CB 3.96Å; F141-Q155 HydrophobicContact CE2-CG 3.93Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 VanDerWaalsContact O-CG 3.26Å; L151-Q155 WeakPolarHBondContact O-CG 3.45Å; L151-Q155 PolarHBondContact O-N 3.41Å; E152-Q155 PolarHBondContact O-N 3.21Å; R153-Q155 PolarHBondContact O-N 3.09Å; Q155-R162 WeakPolarHBondContact O-CB 3.22Å |
| 156 | K | 88.2 | Confident | 89.8 | Confident | 130 Ų | 130 | 63.4 Ų | 63.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -81.1 | -39.7 | -178.6 | -74 | 178.9 | 175.2 | 175.7 | 0 | 113.7 | E152 R153 H154 R162 | E152-K156 HydrophobicContact CG-CD 4.09Å; E152-K156 WeakPolarHBondContact O-CB 3.35Å; E152-K156 WeakPolarHBondContact O-CG 3.39Å; E152-K156 PolarHBondContact O-N 3.43Å; E152-K156 WeakPolarHBondContact OE1-CE 3.29Å; E152-K156 IonicContact OE1-NZ 3.03Å; E152-K156 PolarHBondContact OE1-NZ 3.48Å; R153-K156 PolarHBondContact O-N 3.16Å; H154-K156 VanDerWaalsContact C-N 3.31Å; H154-K156 PolarHBondContact O-N 3.33Å; K156-R162 VanDerWaalsContact O-CD 3.28Å; K156-R162 WeakPolarHBondContact O-CD 3.32Å; K156-R162 PolarHBondContact O-NE 2.86Å |
| 157 | E | 89.9 | Confident | 89.9 | Confident | 132 Ų | 132 | 66.2 Ų | 66.2 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -122.3 | -39.1 | -163.1 | -62.7 | 176.7 | -172 | 0 | 0 | 113.5 | R153 R162 | R153-E157 WeakPolarHBondContact O-CB 3.38Å; R153-E157 PolarHBondContact O-N 2.83Å; E157-R162 PolarHBondContact O-NH1 3.38Å |
| 158 | E | 90.8 | Very high | 90.1 | Very high | 85 Ų | 85 | 67.6 Ų | 67.6 | 40% | 0.397 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -103 | -26.7 | -166.4 | -52.8 | 172.3 | -178.3 | 0 | 0 | 113.6 | R153 H154 Q160 | R153-E158 IonicContact CZ-OE1 3.31Å; R153-E158 VanDerWaalsContact CZ-OE1 3.31Å; R153-E158 IonicContact NE-OE1 2.79Å; R153-E158 PolarHBondContact NE-OE1 3.35Å; R153-E158 IonicContact NH2-OE1 3.09Å; R153-E158 PolarHBondContact NH2-OE1 2.94Å; R153-E158 VanDerWaalsContact NH2-OE1 3.09Å; H154-E158 IonicContact ND1-OE2 3.93Å; H154-E158 PolarHBondContact O-N 3.22Å; E158-Q160 PolarHBondContact O-N 2.85Å |
| 159 | C | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -69.6 | 129.5 | -172.8 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | H154 D161 R162 | H154-C159 VanDerWaalsContact NE2-CB 3.31Å; H154-C159 WeakPolarHBondContact NE2-CB 3.46Å; H154-C159 PolarHBondContact NE2-SG 3.46Å; H154-C159 VanDerWaalsContact NE2-SG 3.4Å; H154-C159 WeakPolarHBondContact O-CB 3.5Å; H154-C159 PolarHBondContact O-N 3.32Å; C159-D161 VanDerWaalsContact C-N 3.28Å; C159-D161 PolarHBondContact O-N 3.31Å; C159-R162 HydrophobicContact CB-CB 4.07Å; C159-R162 VanDerWaalsContact O-CD 3.31Å; C159-R162 WeakPolarHBondContact O-CD 3.37Å; C159-R162 WeakPolarHBondContact O-CG 3.29Å; C159-R162 PolarHBondContact O-N 2.76Å; C159-R162 PolarHBondContact O-NH1 3.21Å | ||
| 160 | Q | 91.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 77 Ų | 77 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.6 | 178.6 | -63.6 | -61.6 | -36.9 | 0 | 0 | 112.9 | E158 F179 H180 | E158-Q160 PolarHBondContact O-N 2.85Å; Q160-F179 WeakPolarHBondContact O-CB 3.43Å; Q160-F179 PolarHBondContact O-N 2.85Å; Q160-F179 VanDerWaalsContact O-N 3.16Å; Q160-H180 PolarHBondContact O-N 3.08Å; Q160-H180 VanDerWaalsContact O-N 3.09Å; Q160-H180 PolarHBondContact O-ND1 3.43Å |
| 161 | D | 91.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 76.4 Ų | 76.4 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.4 | 179.5 | -55.8 | -38.5 | 0 | 0 | 0 | 112.1 | F141 C142 C159 H180 | F141-D161 HydrophobicContact CB-CB 3.86Å; C142-D161 WeakPolarHBondContact CA-OD2 3.43Å; C142-D161 HydrophobicContact CB-CB 4.34Å; C142-D161 WeakPolarHBondContact CB-OD2 3.38Å; C159-D161 VanDerWaalsContact C-N 3.28Å; C159-D161 PolarHBondContact O-N 3.31Å; D161-H180 IonicContact OD1-CE1 3.23Å; D161-H180 PolarHBondContact OD1-CE1 3.08Å; D161-H180 VanDerWaalsContact OD1-CE1 3.26Å; D161-H180 IonicContact OD1-ND1 3.79Å; D161-H180 PolarHBondContact OD1-ND1 3.21Å; D161-H180 VanDerWaalsContact OD1-ND1 3.15Å |
| 162 | R | 92.8 | Very high | 90.3 | Very high | 36 Ų | 36 | 75.8 Ų | 75.8 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -61.5 | 143.2 | 174.5 | 75.4 | -169.1 | -173.9 | -82 | 1.3 | 110.1 | F141 Q155 K156 E157 C159 T164 P178 F179 | F141-R162 HydrophobicContact CD2-CB 4.49Å; Q155-R162 WeakPolarHBondContact O-CB 3.22Å; K156-R162 VanDerWaalsContact O-CD 3.28Å; K156-R162 WeakPolarHBondContact O-CD 3.32Å; K156-R162 PolarHBondContact O-NE 2.86Å; E157-R162 PolarHBondContact O-NH1 3.38Å; C159-R162 HydrophobicContact CB-CB 4.07Å; C159-R162 VanDerWaalsContact O-CD 3.31Å; C159-R162 WeakPolarHBondContact O-CD 3.37Å; C159-R162 WeakPolarHBondContact O-CG 3.29Å; C159-R162 PolarHBondContact O-N 2.76Å; C159-R162 PolarHBondContact O-NH1 3.21Å; R162-T164 HydrophobicContact CG-CG2 3.72Å; R162-T164 PolarHBondContact O-N 2.96Å; R162-P178 CarbonylContact O-C 3.59Å; R162-P178 WeakPolarHBondContact O-CA 3.44Å; R162-F179 HydrophobicContact CG-CB 4Å; R162-F179 PolarHBondContact O-N 3.4Å |
| 163 | V | 91.1 | Very high | 90.4 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.2 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | F141 H176 G177 | F141-V163 HydrophobicContact CD1-CG2 4.47Å; F141-V163 HydrophobicContact CE1-CG2 3.97Å; V163-H176 HydrophobicContact CG1-CB 4.16Å; V163-G177 CarbonylContact C-O 3.57Å; V163-G177 WeakPolarHBondContact CA-O 3.33Å |
| 164 | T | 93 | Very high | 90.4 | Very high | 21 Ų | 21 | 69.5 Ų | 69.5 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 169 | 175 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | R162 H176 G177 F179 | R162-T164 HydrophobicContact CG-CG2 3.72Å; R162-T164 PolarHBondContact O-N 2.96Å; T164-H176 WeakPolarHBondContact O-CA 3.29Å; T164-G177 PolarHBondContact N-O 2.72Å; T164-G177 PolarHBondContact O-N 3.49Å; T164-F179 HydrophobicContact CG2-CB 3.9Å; T164-F179 HydrophobicContact CG2-CD2 3.77Å; T164-F179 HydrophobicContact CG2-CG 4.29Å |
| 165 | Q | 93.6 | Very high | 90.4 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.6 | -178.5 | -71.4 | 165.9 | 11.3 | 0 | 0 | 109 | K169 H176 | Q165-K169 HydrophobicContact CB-CD 3.96Å; Q165-K169 HydrophobicContact CG-CD 3.97Å; Q165-H176 WeakPolarHBondContact CG-CD2 3.34Å; Q165-H176 WeakPolarHBondContact CG-NE2 3.41Å; Q165-H176 PolarHBondContact NE2-NE2 3.12Å |
| 166 | C | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | trans | -61.7 | 143.1 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | Y168 K169 C173 W175 | C166-Y168 PolarHBondContact O-N 3.17Å; C166-Y168 VanDerWaalsContact O-N 3.1Å; C166-Y168 VanDerWaalsContact SG-CD2 3.59Å; C166-Y168 PolarHBondContact SG-N 3.48Å; C166-Y168 VanDerWaalsContact SG-N 3.41Å; C166-K169 WeakPolarHBondContact O-CB 3.42Å; C166-K169 PolarHBondContact O-N 3.37Å; C166-C173 HydrophobicContact CB-CB 4.25Å; C166-W175 HydrophobicContact CB-CB 4.43Å; C166-W175 HydrophobicContact CB-CE3 4.1Å | ||
| 167 | K | 91.3 | Very high | 90.7 | Very high | 108 Ų | 108 | 67.1 Ų | 67.1 | 47% | 0.47 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -54.4 | -29.4 | 172 | 69.2 | -173.3 | 172.2 | -147.3 | 0 | 113.7 | K169 E186 | K167-K169 PolarHBondContact O-N 3.04Å; K167-E186 WeakPolarHBondContact CB-OE1 3.39Å; K167-E186 HydrophobicContact CD-CG 4.45Å; K167-E186 WeakPolarHBondContact CD-OE1 3.32Å; K167-E186 WeakPolarHBondContact CD-OE2 3.5Å; K167-E186 WeakPolarHBondContact CE-OE2 3.15Å; K167-E186 HydrophobicContact CG-CG 4.35Å; K167-E186 WeakPolarHBondContact CG-OE1 3.31Å; K167-E186 PolarHBondContact N-OE1 3.44Å; K167-E186 IonicContact NZ-OE2 3.64Å; K167-E186 PolarHBondContact NZ-OE2 2.83Å |
| 168 | Y | 91.4 | Very high | 90.8 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -81.2 | 9 | 177.2 | -56.6 | -58 | 0 | 0 | 0 | 113.6 | C166 R170 I171 G172 C173 C189 P192 | C166-Y168 PolarHBondContact O-N 3.17Å; C166-Y168 VanDerWaalsContact O-N 3.1Å; C166-Y168 VanDerWaalsContact SG-CD2 3.59Å; C166-Y168 PolarHBondContact SG-N 3.48Å; C166-Y168 VanDerWaalsContact SG-N 3.41Å; Y168-R170 PolarHBondContact O-N 2.75Å; Y168-I171 HydrophobicContact CD1-CD1 3.9Å; Y168-I171 HydrophobicContact CD1-CG1 4.41Å; Y168-I171 HydrophobicContact CG-CD1 4.17Å; Y168-I171 HydrophobicContact CG-CG1 4.48Å; Y168-I171 CarbonylContact O-C 3.58Å; Y168-I171 WeakPolarHBondContact O-CG1 3.47Å; Y168-I171 PolarHBondContact O-N 3.47Å; Y168-G172 PolarHBondContact O-N 3.39Å; Y168-C173 WeakPolarHBondContact O-CB 3.36Å; Y168-C173 PolarHBondContact O-N 3.07Å; Y168-C173 VanDerWaalsContact O-N 3.1Å; Y168-C189 HydrophobicContact CD2-CB 3.84Å; Y168-C189 HydrophobicContact CE2-CB 4.08Å; Y168-P192 HydrophobicContact CD1-CG 3.9Å; Y168-P192 HydrophobicContact CD2-CG 3.72Å; Y168-P192 HydrophobicContact CE1-CB 4.45Å; Y168-P192 HydrophobicContact CE1-CG 3.61Å; Y168-P192 HydrophobicContact CE2-CG 3.4Å; Y168-P192 VanDerWaalsContact CE2-CG 3.4Å; Y168-P192 HydrophobicContact CG-CG 3.95Å |
| 169 | K | 89.6 | Confident | 90.8 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -55.7 | -30.9 | 169.3 | 179.5 | 173.5 | 175.6 | 175 | 0 | 112.2 | Q165 C166 K167 I171 G172 | Q165-K169 HydrophobicContact CB-CD 3.96Å; Q165-K169 HydrophobicContact CG-CD 3.97Å; C166-K169 WeakPolarHBondContact O-CB 3.42Å; C166-K169 PolarHBondContact O-N 3.37Å; K167-K169 PolarHBondContact O-N 3.04Å; K169-I171 PolarHBondContact O-N 3.01Å; K169-G172 PolarHBondContact O-N 2.95Å |
| 170 | R | 84.6 | Confident | 90.8 | Very high | 220 Ų | 220 | 66 Ų | 66 | 83% | 0.83 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -61.4 | -25.7 | 175.5 | -63.8 | -176.5 | -178.9 | -177.3 | 0.3 | 113.7 | Y168 | Y168-R170 PolarHBondContact O-N 2.75Š|
| 171 | I | 87.1 | Confident | 90.8 | Very high | 51 Ų | 51 | 65.4 Ų | 65.4 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -104.8 | 17.4 | 174.8 | 61.8 | 170.4 | 0 | 0 | 0 | 111.6 | Y168 K169 H191 L199 | Y168-I171 HydrophobicContact CD1-CD1 3.9Å; Y168-I171 HydrophobicContact CD1-CG1 4.41Å; Y168-I171 HydrophobicContact CG-CD1 4.17Å; Y168-I171 HydrophobicContact CG-CG1 4.48Å; Y168-I171 CarbonylContact O-C 3.58Å; Y168-I171 WeakPolarHBondContact O-CG1 3.47Å; Y168-I171 PolarHBondContact O-N 3.47Å; K169-I171 PolarHBondContact O-N 3.01Å; I171-H191 HydrophobicContact CD1-CB 3.83Å; I171-H191 HydrophobicContact CG1-CB 4.16Å; I171-L199 WeakPolarHBondContact O-CD2 3.46Å |
| 172 | G | 86.4 | Confident | 90.9 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 9% | 0.093 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 12.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y168 K169 P174 | Y168-G172 PolarHBondContact O-N 3.39Å; K169-G172 PolarHBondContact O-N 2.95Å; G172-P174 VanDerWaalsContact O-CD 3.29Å; G172-P174 WeakPolarHBondContact O-CD 3.43Å |
| 173 | C | 90.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | trans | -63.3 | 120 | 173.2 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | C166 Y168 W175 H185 H191 | C166-C173 HydrophobicContact CB-CB 4.25Å; Y168-C173 WeakPolarHBondContact O-CB 3.36Å; Y168-C173 PolarHBondContact O-N 3.07Å; Y168-C173 VanDerWaalsContact O-N 3.1Å; C173-W175 VanDerWaalsContact C-N 3.27Å; C173-W175 PolarHBondContact O-N 2.75Å; C173-H185 PolarHBondContact SG-NE2 3.23Å; C173-H185 VanDerWaalsContact SG-NE2 3.37Å; C173-H191 HydrophobicContact CB-CB 4.32Å | ||
| 174 | P | 88.9 | Confident | 91 | Very high | 95 Ų | 95 | 67.4 Ų | 67.4 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | trans | -85.5 | 2.3 | -177.6 | 35.9 | -36.2 | 0 | 0 | 0 | 112.9 | G172 H176 | G172-P174 VanDerWaalsContact O-CD 3.29Å; G172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-H176 PolarHBondContact O-CE1 3.49Å; P174-H176 PolarHBondContact O-N 3.32Å; P174-H176 PolarHBondContact O-ND1 3.1Å | ||
| 175 | W | 92.4 | Very high | 91 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -66.2 | 127.5 | -174.6 | -175.7 | 87.5 | 0 | 0 | 0 | 111.7 | C166 C173 E181 L182 H185 | C166-W175 HydrophobicContact CB-CB 4.43Å; C166-W175 HydrophobicContact CB-CE3 4.1Å; C173-W175 VanDerWaalsContact C-N 3.27Å; C173-W175 PolarHBondContact O-N 2.75Å; W175-E181 HydrophobicContact CZ2-CB 4.08Å; W175-L182 HydrophobicContact CE3-CD1 4.21Å; W175-L182 HydrophobicContact CH2-CB 4.01Å; W175-L182 HydrophobicContact CH2-CD1 4.12Å; W175-L182 HydrophobicContact CZ3-CB 4.22Å; W175-L182 HydrophobicContact CZ3-CD1 3.47Å; W175-L182 VanDerWaalsContact CZ3-CD1 3.47Å; W175-L182 HydrophobicContact CZ3-CG 4.44Å; W175-H185 VanDerWaalsContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-NE2 3.46Å; W175-H185 AromaticContact CD1-CE1 3.61Å; W175-H185 AromaticContact CD1-CG 3.73Å; W175-H185 AromaticContact CD1-ND1 3.33Å; W175-H185 VanDerWaalsContact CD1-ND1 3.33Å; W175-H185 HydrophobicContact CD2-CB 4.04Å; W175-H185 AromaticContact CD2-CD2 3.58Å; W175-H185 AromaticContact CD2-CG 3.54Å; W175-H185 AromaticContact CD2-ND1 3.94Å; W175-H185 AromaticContact CE2-CG 3.65Å; W175-H185 AromaticContact CE3-CD2 3.87Å; W175-H185 HydrophobicContact CG-CB 4.49Å; W175-H185 AromaticContact CG-CD2 3.62Å; W175-H185 AromaticContact CG-CE1 3.44Å; W175-H185 VanDerWaalsContact CG-CE1 3.44Å; W175-H185 AromaticContact CG-CG 3.59Å; W175-H185 AromaticContact CG-ND1 3.49Å; W175-H185 AromaticContact CG-NE2 3.55Å; W175-H185 HydrophobicContact CH2-CB 4.44Å; W175-H185 HydrophobicContact CZ2-CB 3.91Å; W175-H185 AromaticContact NE1-CG 3.75Å; W175-H185 AromaticContact NE1-ND1 3.67Å | ||
| 176 | H | 92.6 | Very high | 90.9 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.6 | 170.5 | -61.6 | 75.4 | 0 | 0 | 0 | 106.9 | V163 T164 Q165 P174 | V163-H176 HydrophobicContact CG1-CB 4.16Å; T164-H176 WeakPolarHBondContact O-CA 3.29Å; Q165-H176 WeakPolarHBondContact CG-CD2 3.34Å; Q165-H176 WeakPolarHBondContact CG-NE2 3.41Å; Q165-H176 PolarHBondContact NE2-NE2 3.12Å; P174-H176 PolarHBondContact O-CE1 3.49Å; P174-H176 PolarHBondContact O-N 3.32Å; P174-H176 PolarHBondContact O-ND1 3.1Å |
| 177 | G | 91.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 179.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V163 T164 | V163-G177 CarbonylContact C-O 3.57Å; V163-G177 WeakPolarHBondContact CA-O 3.33Å; T164-G177 PolarHBondContact N-O 2.72Å; T164-G177 PolarHBondContact O-N 3.49Å |
| 178 | P | 92.1 | Very high | 90.9 | Very high | 39 Ų | 39 | 69 Ų | 69 | 25% | 0.253 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 143 | 174.9 | -23.1 | 34.4 | 0 | 0 | 0 | 111.8 | R162 H180 E181 | R162-P178 CarbonylContact O-C 3.59Å; R162-P178 WeakPolarHBondContact O-CA 3.44Å; P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 WeakPolarHBondContact CB-CE1 3.44Å; P178-H180 WeakPolarHBondContact CB-ND1 3.24Å; P178-H180 PolarHBondContact O-N 2.63Å; P178-E181 HydrophobicContact CB-CG 4.48Å; P178-E181 PolarHBondContact O-N 3.08Å; P178-E181 VanDerWaalsContact O-N 3.08Å |
| 179 | F | 91.9 | Very high | 90.9 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58 | -36.2 | -179 | 178 | -107 | 0 | 0 | 0 | 113.6 | Q160 R162 T164 E181 L182 | Q160-F179 WeakPolarHBondContact O-CB 3.43Å; Q160-F179 PolarHBondContact O-N 2.85Å; Q160-F179 VanDerWaalsContact O-N 3.16Å; R162-F179 HydrophobicContact CG-CB 4Å; R162-F179 PolarHBondContact O-N 3.4Å; T164-F179 HydrophobicContact CG2-CB 3.9Å; T164-F179 HydrophobicContact CG2-CD2 3.77Å; T164-F179 HydrophobicContact CG2-CG 4.29Å; F179-E181 PolarHBondContact O-N 3.22Å; F179-L182 HydrophobicContact CD2-CB 4.49Å; F179-L182 HydrophobicContact CD2-CD2 3.87Å; F179-L182 HydrophobicContact CE2-CD2 3.84Å; F179-L182 WeakPolarHBondContact O-CB 3.36Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.08Å |
| 180 | H | 90.5 | Very high | 90.8 | Very high | 88 Ų | 88 | 65.1 Ų | 65.1 | 41% | 0.407 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -21.8 | 179.9 | 66.5 | -96.2 | 0 | 0 | 0 | 113.6 | Q160 D161 P178 | Q160-H180 PolarHBondContact O-N 3.08Å; Q160-H180 VanDerWaalsContact O-N 3.09Å; Q160-H180 PolarHBondContact O-ND1 3.43Å; D161-H180 IonicContact OD1-CE1 3.23Å; D161-H180 PolarHBondContact OD1-CE1 3.08Å; D161-H180 VanDerWaalsContact OD1-CE1 3.26Å; D161-H180 IonicContact OD1-ND1 3.79Å; D161-H180 PolarHBondContact OD1-ND1 3.21Å; D161-H180 VanDerWaalsContact OD1-ND1 3.15Å; P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 WeakPolarHBondContact CB-CE1 3.44Å; P178-H180 WeakPolarHBondContact CB-ND1 3.24Å; P178-H180 PolarHBondContact O-N 2.63Å |
| 181 | E | 92.5 | Very high | 91 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -90.3 | -10.6 | 175.9 | -59.4 | -173.8 | 167.3 | 0 | 0 | 113.2 | W175 P178 F179 T183 V184 H185 | W175-E181 HydrophobicContact CZ2-CB 4.08Å; P178-E181 HydrophobicContact CB-CG 4.48Å; P178-E181 PolarHBondContact O-N 3.08Å; P178-E181 VanDerWaalsContact O-N 3.08Å; F179-E181 PolarHBondContact O-N 3.22Å; E181-T183 VanDerWaalsContact C-N 3.33Å; E181-T183 PolarHBondContact O-N 3.16Å; E181-V184 PolarHBondContact O-N 3.41Å; E181-H185 PolarHBondContact O-N 2.58Å |
| 182 | L | 93.1 | Very high | 91 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | -174.8 | 176.3 | 66.1 | 0 | 0 | 0 | 112 | W175 F179 V184 H185 E186 | W175-L182 HydrophobicContact CE3-CD1 4.21Å; W175-L182 HydrophobicContact CH2-CB 4.01Å; W175-L182 HydrophobicContact CH2-CD1 4.12Å; W175-L182 HydrophobicContact CZ3-CB 4.22Å; W175-L182 HydrophobicContact CZ3-CD1 3.47Å; W175-L182 VanDerWaalsContact CZ3-CD1 3.47Å; W175-L182 HydrophobicContact CZ3-CG 4.44Å; F179-L182 HydrophobicContact CD2-CB 4.49Å; F179-L182 HydrophobicContact CD2-CD2 3.87Å; F179-L182 HydrophobicContact CE2-CD2 3.84Å; F179-L182 WeakPolarHBondContact O-CB 3.36Å; F179-L182 PolarHBondContact O-N 3.23Å; F179-L182 VanDerWaalsContact O-N 3.08Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 3.09Å; L182-H185 PolarHBondContact O-N 3.33Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.35Å; L182-E186 WeakPolarHBondContact O-CB 3.36Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.25Å; L182-E186 PolarHBondContact O-N 3.2Å |
| 183 | T | 92 | Very high | 91.1 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | -178.4 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | E181 E186 A187 | E181-T183 VanDerWaalsContact C-N 3.33Å; E181-T183 PolarHBondContact O-N 3.16Å; T183-E186 PolarHBondContact O-N 2.95Å; T183-A187 PolarHBondContact O-N 2.97Å; T183-A187 VanDerWaalsContact O-N 3.16Å |
| 184 | V | 93.3 | Very high | 90.9 | Very high | 102 Ų | 102 | 64.5 Ų | 64.5 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | E181 L182 A187 A188 | E181-V184 PolarHBondContact O-N 3.41Å; L182-V184 VanDerWaalsContact C-N 3.33Å; L182-V184 PolarHBondContact O-N 3.09Å; V184-A187 PolarHBondContact O-N 3.41Å; V184-A188 PolarHBondContact O-N 3.28Å |
| 185 | H | 93.5 | Very high | 90.9 | Very high | 39 Ų | 39 | 63.3 Ų | 63.3 | 18% | 0.181 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176 | 175.7 | 74.2 | 0 | 0 | 0 | 112 | C173 W175 E181 L182 A187 A188 C189 | C173-H185 PolarHBondContact SG-NE2 3.23Å; C173-H185 VanDerWaalsContact SG-NE2 3.37Å; W175-H185 VanDerWaalsContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-CE1 3.45Å; W175-H185 WeakPolarHBondContact CB-NE2 3.46Å; W175-H185 AromaticContact CD1-CE1 3.61Å; W175-H185 AromaticContact CD1-CG 3.73Å; W175-H185 AromaticContact CD1-ND1 3.33Å; W175-H185 VanDerWaalsContact CD1-ND1 3.33Å; W175-H185 HydrophobicContact CD2-CB 4.04Å; W175-H185 AromaticContact CD2-CD2 3.58Å; W175-H185 AromaticContact CD2-CG 3.54Å; W175-H185 AromaticContact CD2-ND1 3.94Å; W175-H185 AromaticContact CE2-CG 3.65Å; W175-H185 AromaticContact CE3-CD2 3.87Å; W175-H185 HydrophobicContact CG-CB 4.49Å; W175-H185 AromaticContact CG-CD2 3.62Å; W175-H185 AromaticContact CG-CE1 3.44Å; W175-H185 VanDerWaalsContact CG-CE1 3.44Å; W175-H185 AromaticContact CG-CG 3.59Å; W175-H185 AromaticContact CG-ND1 3.49Å; W175-H185 AromaticContact CG-NE2 3.55Å; W175-H185 HydrophobicContact CH2-CB 4.44Å; W175-H185 HydrophobicContact CZ2-CB 3.91Å; W175-H185 AromaticContact NE1-CG 3.75Å; W175-H185 AromaticContact NE1-ND1 3.67Å; E181-H185 PolarHBondContact O-N 2.58Å; L182-H185 PolarHBondContact O-N 3.33Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 2.92Å; H185-A188 CarbonylContact O-C 3.46Å; H185-A188 PolarHBondContact O-N 3.38Å; H185-A188 VanDerWaalsContact O-N 3.09Å; H185-C189 WeakPolarHBondContact O-CA 3.35Å; H185-C189 WeakPolarHBondContact O-CB 3.38Å; H185-C189 PolarHBondContact O-N 2.8Å |
| 186 | E | 92.1 | Very high | 90.5 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.7 | -33.8 | -178.6 | -78 | -168.5 | 172 | 0 | 0 | 113.3 | K167 L182 T183 | K167-E186 WeakPolarHBondContact CB-OE1 3.39Å; K167-E186 HydrophobicContact CD-CG 4.45Å; K167-E186 WeakPolarHBondContact CD-OE1 3.32Å; K167-E186 WeakPolarHBondContact CD-OE2 3.5Å; K167-E186 WeakPolarHBondContact CE-OE2 3.15Å; K167-E186 HydrophobicContact CG-CG 4.35Å; K167-E186 WeakPolarHBondContact CG-OE1 3.31Å; K167-E186 PolarHBondContact N-OE1 3.44Å; K167-E186 IonicContact NZ-OE2 3.64Å; K167-E186 PolarHBondContact NZ-OE2 2.83Å; L182-E186 HydrophobicContact CD1-CG 4.04Å; L182-E186 HydrophobicContact CG-CG 4.35Å; L182-E186 WeakPolarHBondContact O-CB 3.36Å; L182-E186 VanDerWaalsContact O-CG 3.31Å; L182-E186 WeakPolarHBondContact O-CG 3.25Å; L182-E186 PolarHBondContact O-N 3.2Å; T183-E186 PolarHBondContact O-N 2.95Å |
| 187 | A | 91.1 | Very high | 90 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 78% | 0.777 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.8 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T183 V184 H185 | T183-A187 PolarHBondContact O-N 2.97Å; T183-A187 VanDerWaalsContact O-N 3.16Å; V184-A187 PolarHBondContact O-N 3.41Å; H185-A187 VanDerWaalsContact C-N 3.27Å; H185-A187 PolarHBondContact O-N 2.92Å |
| 188 | A | 92.1 | Very high | 89.6 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -98.8 | 5.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | V184 H185 A190 | V184-A188 PolarHBondContact O-N 3.28Å; H185-A188 CarbonylContact O-C 3.46Å; H185-A188 PolarHBondContact O-N 3.38Å; H185-A188 VanDerWaalsContact O-N 3.09Å; A188-A190 PolarHBondContact O-N 3.44Å |
| 189 | C | 91.1 | Very high | 89.4 | Confident | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | trans | -69.1 | 124.7 | -172.6 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | Y168 H185 P192 | Y168-C189 HydrophobicContact CD2-CB 3.84Å; Y168-C189 HydrophobicContact CE2-CB 4.08Å; H185-C189 WeakPolarHBondContact O-CA 3.35Å; H185-C189 WeakPolarHBondContact O-CB 3.38Å; H185-C189 PolarHBondContact O-N 2.8Å; C189-P192 VanDerWaalsContact O-CD 3.24Å; C189-P192 WeakPolarHBondContact O-CD 3.45Å | ||
| 190 | A | 88.8 | Confident | 89.1 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.6 | -12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A188 P192 T193 K194 | A188-A190 PolarHBondContact O-N 3.44Å; A190-P192 VanDerWaalsContact C-CD 3.48Å; A190-T193 PolarHBondContact O-N 3.35Å; A190-T193 VanDerWaalsContact O-N 3.14Å; A190-T193 PolarHBondContact O-OG1 3.33Å; A190-K194 WeakPolarHBondContact O-CG 3.49Å; A190-K194 PolarHBondContact O-N 3Å; A190-K194 VanDerWaalsContact O-N 3.17Å |
| 191 | H | 87.6 | Confident | 88.8 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -62.3 | -36.6 | -175.8 | -72.8 | 75.4 | 0 | 0 | 0 | 114.8 | I171 C173 T193 K194 | I171-H191 HydrophobicContact CD1-CB 3.83Å; I171-H191 HydrophobicContact CG1-CB 4.16Å; C173-H191 HydrophobicContact CB-CB 4.32Å; H191-T193 PolarHBondContact O-N 3.32Å; H191-K194 PolarHBondContact NE2-NZ 3.5Å; H191-K194 PolarHBondContact O-N 2.92Å |
| 192 | P | 87.9 | Confident | 88.4 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 42% | 0.422 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.3 | 174.1 | -23 | 35.6 | 0 | 0 | 0 | 114.4 | Y168 C189 A190 | Y168-P192 HydrophobicContact CD1-CG 3.9Å; Y168-P192 HydrophobicContact CD2-CG 3.72Å; Y168-P192 HydrophobicContact CE1-CB 4.45Å; Y168-P192 HydrophobicContact CE1-CG 3.61Å; Y168-P192 HydrophobicContact CE2-CG 3.4Å; Y168-P192 VanDerWaalsContact CE2-CG 3.4Å; Y168-P192 HydrophobicContact CG-CG 3.95Å; C189-P192 VanDerWaalsContact O-CD 3.24Å; C189-P192 WeakPolarHBondContact O-CD 3.45Å; A190-P192 VanDerWaalsContact C-CD 3.48Å |
| 193 | T | 87.6 | Confident | 88.1 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 73% | 0.73 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -101.4 | -2 | -178.3 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | A190 H191 | A190-T193 PolarHBondContact O-N 3.35Å; A190-T193 VanDerWaalsContact O-N 3.14Å; A190-T193 PolarHBondContact O-OG1 3.33Å; H191-T193 PolarHBondContact O-N 3.32Å |
| 194 | K | 87.1 | Confident | 87.9 | Confident | 67 Ų | 67 | 71.1 Ų | 71.1 | 29% | 0.291 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -63.8 | 149.4 | 174.1 | -79.4 | -176.1 | 176.6 | -177.2 | 0 | 111.2 | A190 H191 L199 | A190-K194 WeakPolarHBondContact O-CG 3.49Å; A190-K194 PolarHBondContact O-N 3Å; A190-K194 VanDerWaalsContact O-N 3.17Å; H191-K194 PolarHBondContact NE2-NZ 3.5Å; H191-K194 PolarHBondContact O-N 2.92Å; K194-L199 HydrophobicContact CB-CD1 4.44Å; K194-L199 HydrophobicContact CB-CD2 3.93Å; K194-L199 HydrophobicContact CB-CG 3.95Å; K194-L199 HydrophobicContact CD-CD2 4.08Å |
| 195 | T | 87.8 | Confident | 87.5 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | trans | -72.8 | 155.4 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 111 | S197 E198 L199 | T195-S197 PolarHBondContact O-N 3.31Å; T195-S197 PolarHBondContact OG1-OG 3.26Å; T195-E198 PolarHBondContact N-OE2 3.46Å; T195-E198 PolarHBondContact O-N 3.28Å; T195-E198 VanDerWaalsContact OG1-CG 3.31Å; T195-E198 WeakPolarHBondContact OG1-CG 3.35Å; T195-E198 PolarHBondContact OG1-OE2 3.42Å; T195-L199 PolarHBondContact O-N 3.08Å; T195-L199 VanDerWaalsContact O-N 3.13Å | ||
| 196 | G | 83.6 | Confident | 87 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.8 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E198 L199 M200 | G196-E198 PolarHBondContact O-N 3Å; G196-L199 PolarHBondContact O-N 2.88Å; G196-M200 WeakPolarHBondContact O-CB 3.42Å; G196-M200 WeakPolarHBondContact O-CG 3.44Å; G196-M200 PolarHBondContact O-N 2.89Å |
| 197 | S | 83.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 177.8 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | T195 M200 E201 | T195-S197 PolarHBondContact O-N 3.31Å; T195-S197 PolarHBondContact OG1-OG 3.26Å; S197-M200 PolarHBondContact O-N 2.93Å; S197-E201 PolarHBondContact O-N 3.44Å |
| 198 | E | 82.5 | Confident | 86.6 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.4 | -33.9 | 179.2 | -65.6 | 165.3 | 143.6 | 0 | 0 | 112 | T195 G196 | T195-E198 PolarHBondContact N-OE2 3.46Å; T195-E198 PolarHBondContact O-N 3.28Å; T195-E198 VanDerWaalsContact OG1-CG 3.31Å; T195-E198 WeakPolarHBondContact OG1-CG 3.35Å; T195-E198 PolarHBondContact OG1-OE2 3.42Å; G196-E198 PolarHBondContact O-N 3Å |
| 199 | L | 86.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 70.1 Ų | 70.1 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -72.2 | -36.1 | 175.1 | -66.9 | 177.6 | 0 | 0 | 0 | 111.6 | I171 K194 T195 G196 E201 I202 L203 | I171-L199 WeakPolarHBondContact O-CD2 3.46Å; K194-L199 HydrophobicContact CB-CD1 4.44Å; K194-L199 HydrophobicContact CB-CD2 3.93Å; K194-L199 HydrophobicContact CB-CG 3.95Å; K194-L199 HydrophobicContact CD-CD2 4.08Å; T195-L199 PolarHBondContact O-N 3.08Å; T195-L199 VanDerWaalsContact O-N 3.13Å; G196-L199 PolarHBondContact O-N 2.88Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.65Å; L199-I202 PolarHBondContact O-N 3.46Å; L199-L203 HydrophobicContact CB-CD1 4.38Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.97Å |
| 200 | M | 86.5 | Confident | 85.9 | Confident | 124 Ų | 124 | 73.9 Ų | 73.9 | 61% | 0.611 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.3 | -38.5 | -179.8 | -77.2 | -58.1 | -64.2 | 0 | 0 | 112.6 | G196 S197 D204 | G196-M200 WeakPolarHBondContact O-CB 3.42Å; G196-M200 WeakPolarHBondContact O-CG 3.44Å; G196-M200 PolarHBondContact O-N 2.89Å; S197-M200 PolarHBondContact O-N 2.93Å; M200-D204 VanDerWaalsContact O-CB 3.25Å; M200-D204 WeakPolarHBondContact O-CB 3.37Å; M200-D204 PolarHBondContact O-N 3.31Å |
| 201 | E | 84.4 | Confident | 85.7 | Confident | 158 Ų | 158 | 79.4 Ų | 79.4 | 74% | 0.738 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 175.6 | -70.1 | -177.2 | 178.8 | 0 | 0 | 112.1 | S197 L199 G205 | S197-E201 PolarHBondContact O-N 3.44Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-E201 PolarHBondContact O-N 2.65Å; E201-G205 PolarHBondContact O-N 3.11Å |
| 202 | I | 84.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 85.2 Ų | 85.2 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.3 | -43.7 | -179.9 | -57.1 | 168 | 0 | 0 | 0 | 110.5 | L199 D204 G205 M206 | L199-I202 PolarHBondContact O-N 3.46Å; I202-D204 VanDerWaalsContact C-N 3.35Å; I202-G205 PolarHBondContact O-N 3.45Å; I202-M206 HydrophobicContact CG2-SD 4.29Å; I202-M206 WeakPolarHBondContact O-CG 3.37Å; I202-M206 PolarHBondContact O-N 3.47Å |
| 203 | L | 86.5 | Confident | 85 | Confident | 51 Ų | 51 | 88.6 Ų | 88.6 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 177.7 | -71.3 | 173.6 | 0 | 0 | 0 | 111.5 | L199 G205 M206 D207 | L199-L203 HydrophobicContact CB-CD1 4.38Å; L199-L203 VanDerWaalsContact O-CB 3.29Å; L199-L203 WeakPolarHBondContact O-CB 3.45Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.97Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.49Å; L203-M206 HydrophobicContact CD2-SD 4.27Å; L203-M206 WeakPolarHBondContact O-CB 3.37Å; L203-M206 PolarHBondContact O-N 3.18Å; L203-D207 WeakPolarHBondContact O-CB 3.47Å; L203-D207 PolarHBondContact O-N 3.08Å |
| 204 | D | 87.3 | Confident | 84.9 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.1 | -170.9 | 59 | 0 | 0 | 0 | 111.1 | M200 I202 M206 D207 Q208 | M200-D204 VanDerWaalsContact O-CB 3.25Å; M200-D204 WeakPolarHBondContact O-CB 3.37Å; M200-D204 PolarHBondContact O-N 3.31Å; I202-D204 VanDerWaalsContact C-N 3.35Å; D204-M206 PolarHBondContact O-N 3.2Å; D204-D207 PolarHBondContact O-N 3.26Å; D204-Q208 WeakPolarHBondContact O-CB 3.3Å; D204-Q208 WeakPolarHBondContact O-CG 3.33Å; D204-Q208 PolarHBondContact O-N 3.17Å; D204-Q208 PolarHBondContact OD2-NE2 3.15Å |
| 205 | G | 84.9 | Confident | 84.9 | Confident | 32 Ų | 32 | 89.2 Ų | 89.2 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E201 I202 L203 S209 | E201-G205 PolarHBondContact O-N 3.11Å; I202-G205 PolarHBondContact O-N 3.45Å; L203-G205 VanDerWaalsContact C-N 3.33Å; L203-G205 PolarHBondContact O-N 3.49Å; G205-S209 PolarHBondContact O-N 2.77Å; G205-S209 VanDerWaalsContact O-N 3.14Å; G205-S209 PolarHBondContact O-OG 3.03Å |
| 206 | M | 84.1 | Confident | 84.7 | Confident | 70 Ų | 70 | 88.7 Ų | 88.7 | 35% | 0.345 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 174.8 | -70.6 | 173.9 | 59.3 | 0 | 0 | 111.6 | I202 L203 D204 S209 H210 | I202-M206 HydrophobicContact CG2-SD 4.29Å; I202-M206 WeakPolarHBondContact O-CG 3.37Å; I202-M206 PolarHBondContact O-N 3.47Å; L203-M206 HydrophobicContact CD2-SD 4.27Å; L203-M206 WeakPolarHBondContact O-CB 3.37Å; L203-M206 PolarHBondContact O-N 3.18Å; D204-M206 PolarHBondContact O-N 3.2Å; M206-S209 PolarHBondContact O-N 3.48Å; M206-H210 WeakPolarHBondContact O-CB 3.22Å; M206-H210 PolarHBondContact O-N 2.88Å |
| 207 | D | 86.8 | Confident | 84.7 | Confident | 80 Ų | 80 | 92.7 Ų | 92.7 | 43% | 0.428 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 178 | -87.7 | 3.9 | 0 | 0 | 0 | 111.4 | L203 D204 S209 H210 R211 | L203-D207 WeakPolarHBondContact O-CB 3.47Å; L203-D207 PolarHBondContact O-N 3.08Å; D204-D207 PolarHBondContact O-N 3.26Å; D207-S209 VanDerWaalsContact C-N 3.31Å; D207-S209 PolarHBondContact O-N 3.38Å; D207-H210 PolarHBondContact O-N 3.06Å; D207-R211 VanDerWaalsContact O-CB 3.26Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.35Å; D207-R211 PolarHBondContact O-N 3.45Å |
| 208 | Q | 87.4 | Confident | 84.9 | Confident | 93 Ų | 93 | 93.4 Ų | 93.4 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.4 | -75.3 | 179.3 | 32.7 | 0 | 0 | 111.6 | D204 K212 | D204-Q208 WeakPolarHBondContact O-CB 3.3Å; D204-Q208 WeakPolarHBondContact O-CG 3.33Å; D204-Q208 PolarHBondContact O-N 3.17Å; D204-Q208 PolarHBondContact OD2-NE2 3.15Å; Q208-K212 VanDerWaalsContact O-CG 3.3Å; Q208-K212 WeakPolarHBondContact O-CG 3.42Å; Q208-K212 PolarHBondContact O-N 3.4Å |
| 209 | S | 83.8 | Confident | 85.1 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | G205 M206 D207 R211 K212 E213 | G205-S209 PolarHBondContact O-N 2.77Å; G205-S209 VanDerWaalsContact O-N 3.14Å; G205-S209 PolarHBondContact O-OG 3.03Å; M206-S209 PolarHBondContact O-N 3.48Å; D207-S209 VanDerWaalsContact C-N 3.31Å; D207-S209 PolarHBondContact O-N 3.38Å; S209-R211 PolarHBondContact O-N 3.38Å; S209-K212 WeakPolarHBondContact O-CB 3.17Å; S209-K212 PolarHBondContact O-N 3.24Å; S209-E213 PolarHBondContact O-N 3.24Å; S209-E213 VanDerWaalsContact O-N 3.11Å |
| 210 | H | 84.9 | Confident | 85.1 | Confident | 92 Ų | 92 | 91.4 Ų | 91.4 | 43% | 0.426 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 177.2 | -170.8 | 58.1 | 0 | 0 | 0 | 112.6 | M206 D207 K212 E213 M214 | M206-H210 WeakPolarHBondContact O-CB 3.22Å; M206-H210 PolarHBondContact O-N 2.88Å; D207-H210 PolarHBondContact O-N 3.06Å; H210-K212 VanDerWaalsContact C-N 3.32Å; H210-K212 PolarHBondContact O-N 3.24Å; H210-E213 PolarHBondContact O-N 2.89Å; H210-M214 VanDerWaalsContact CE1-CE 3.44Å; H210-M214 WeakPolarHBondContact CE1-CE 3.31Å; H210-M214 WeakPolarHBondContact O-CB 3.4Å; H210-M214 WeakPolarHBondContact O-CG 3.18Å; H210-M214 PolarHBondContact O-N 3.37Å |
| 211 | R | 84.8 | Confident | 85.1 | Confident | 171 Ų | 171 | 92 Ų | 92 | 65% | 0.645 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 174.2 | -77.7 | 176.6 | -168.8 | -164.8 | 7.8 | 111.7 | D207 S209 M214 Q215 | D207-R211 VanDerWaalsContact O-CB 3.26Å; D207-R211 WeakPolarHBondContact O-CB 3.31Å; D207-R211 WeakPolarHBondContact O-CG 3.35Å; D207-R211 PolarHBondContact O-N 3.45Å; S209-R211 PolarHBondContact O-N 3.38Å; R211-M214 PolarHBondContact O-N 2.9Å; R211-Q215 WeakPolarHBondContact O-CB 3.35Å; R211-Q215 PolarHBondContact O-N 3.3Å |
| 212 | K | 82.1 | Confident | 85.3 | Confident | 140 Ų | 140 | 87.7 Ų | 87.7 | 61% | 0.609 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 174.7 | -72.6 | 170.2 | -174.1 | 175.3 | 0 | 111.5 | Q208 S209 H210 Q215 | Q208-K212 VanDerWaalsContact O-CG 3.3Å; Q208-K212 WeakPolarHBondContact O-CG 3.42Å; Q208-K212 PolarHBondContact O-N 3.4Å; S209-K212 WeakPolarHBondContact O-CB 3.17Å; S209-K212 PolarHBondContact O-N 3.24Å; H210-K212 VanDerWaalsContact C-N 3.32Å; H210-K212 PolarHBondContact O-N 3.24Å; K212-Q215 WeakPolarHBondContact O-CB 3.39Å; K212-Q215 PolarHBondContact O-N 2.87Å |
| 213 | E | 78.9 | Confident | 85.4 | Confident | 136 Ų | 136 | 85.9 Ų | 85.9 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.2 | -70.5 | 179.1 | 173 | 0 | 0 | 111.8 | S209 H210 Q215 | S209-E213 PolarHBondContact O-N 3.24Å; S209-E213 VanDerWaalsContact O-N 3.11Å; H210-E213 PolarHBondContact O-N 2.89Å; E213-Q215 VanDerWaalsContact C-N 3.26Å; E213-Q215 PolarHBondContact O-N 3.34Å |
| 214 | M | 85.6 | Confident | 85.5 | Confident | 77 Ų | 77 | 87.6 Ų | 87.6 | 38% | 0.379 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.2 | -17.5 | 178.8 | -74.8 | -66.1 | 179.2 | 0 | 0 | 113.6 | H210 R211 L216 Y217 N218 | H210-M214 VanDerWaalsContact CE1-CE 3.44Å; H210-M214 WeakPolarHBondContact CE1-CE 3.31Å; H210-M214 WeakPolarHBondContact O-CB 3.4Å; H210-M214 WeakPolarHBondContact O-CG 3.18Å; H210-M214 PolarHBondContact O-N 3.37Å; R211-M214 PolarHBondContact O-N 2.9Å; M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 3.09Å; M214-Y217 PolarHBondContact O-N 2.8Å; M214-Y217 HydrophobicContact SD-CD2 4.16Å; M214-N218 WeakPolarHBondContact O-CB 3.44Å; M214-N218 VanDerWaalsContact O-CG 3.29Å; M214-N218 PolarHBondContact O-N 3.24Å; M214-N218 PolarHBondContact O-ND2 2.85Å |
| 215 | Q | 87 | Confident | 85.5 | Confident | 121 Ų | 121 | 88.2 Ų | 88.2 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.3 | -43.4 | -178.8 | -171.6 | 175.6 | -2.8 | 0 | 0 | 111.5 | R211 K212 E213 Y217 N218 S219 | R211-Q215 WeakPolarHBondContact O-CB 3.35Å; R211-Q215 PolarHBondContact O-N 3.3Å; K212-Q215 WeakPolarHBondContact O-CB 3.39Å; K212-Q215 PolarHBondContact O-N 2.87Å; E213-Q215 VanDerWaalsContact C-N 3.26Å; E213-Q215 PolarHBondContact O-N 3.34Å; Q215-Y217 PolarHBondContact O-N 3.4Å; Q215-N218 PolarHBondContact O-N 3.14Å; Q215-S219 WeakPolarHBondContact O-CB 3.44Å; Q215-S219 PolarHBondContact O-N 3.22Å; Q215-S219 PolarHBondContact O-OG 3.25Å |
| 216 | L | 82.7 | Confident | 85.5 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 31% | 0.314 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 178.3 | -178.4 | 66 | 0 | 0 | 0 | 111.4 | M214 S219 I220 P315 I317 | M214-L216 VanDerWaalsContact C-N 3.31Å; M214-L216 PolarHBondContact O-N 3.09Å; L216-S219 PolarHBondContact O-N 3.07Å; L216-I220 HydrophobicContact CD1-CD1 4.44Å; L216-I220 HydrophobicContact CG-CD1 4.18Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 2.79Å; L216-P315 HydrophobicContact CD2-CB 4.46Å; L216-P315 HydrophobicContact CD2-CG 3.94Å; L216-P315 WeakPolarHBondContact CD2-O 3.43Å; L216-I317 HydrophobicContact CD1-CD1 4.29Å; L216-I317 HydrophobicContact CD1-CG1 4.48Å |
| 217 | Y | 84.3 | Confident | 85.6 | Confident | 134 Ų | 134 | 94.4 Ų | 94.4 | 53% | 0.525 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 177.4 | -67.3 | -76.5 | 0 | 0 | 0 | 111.3 | M214 Q215 S219 I220 F221 | M214-Y217 PolarHBondContact O-N 2.8Å; M214-Y217 HydrophobicContact SD-CD2 4.16Å; Q215-Y217 PolarHBondContact O-N 3.4Å; Y217-S219 VanDerWaalsContact C-N 3.32Å; Y217-S219 PolarHBondContact O-N 3.09Å; Y217-I220 PolarHBondContact O-N 2.79Å; Y217-F221 WeakPolarHBondContact O-CD2 3.43Å; Y217-F221 PolarHBondContact O-N 2.93Å |
| 218 | N | 86.6 | Confident | 85.7 | Confident | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177 | -71.1 | -27.4 | 0 | 0 | 0 | 111.9 | M214 Q215 F221 S222 | M214-N218 WeakPolarHBondContact O-CB 3.44Å; M214-N218 VanDerWaalsContact O-CG 3.29Å; M214-N218 PolarHBondContact O-N 3.24Å; M214-N218 PolarHBondContact O-ND2 2.85Å; Q215-N218 PolarHBondContact O-N 3.14Å; N218-F221 PolarHBondContact O-N 3.44Å; N218-S222 WeakPolarHBondContact O-CB 3.47Å; N218-S222 PolarHBondContact O-N 2.72Å |
| 219 | S | 87.4 | Confident | 86 | Confident | 50 Ų | 50 | 92.7 Ų | 92.7 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.9 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | Q215 L216 Y217 S222 L223 | Q215-S219 WeakPolarHBondContact O-CB 3.44Å; Q215-S219 PolarHBondContact O-N 3.22Å; Q215-S219 PolarHBondContact O-OG 3.25Å; L216-S219 PolarHBondContact O-N 3.07Å; Y217-S219 VanDerWaalsContact C-N 3.32Å; Y217-S219 PolarHBondContact O-N 3.09Å; S219-S222 WeakPolarHBondContact O-CB 3.33Å; S219-S222 PolarHBondContact O-N 2.9Å; S219-L223 WeakPolarHBondContact O-CG 3.39Å; S219-L223 PolarHBondContact O-N 2.79Å |
| 220 | I | 86.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 89.9 Ų | 89.9 | 17% | 0.174 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.8 | -66 | 170.1 | 0 | 0 | 0 | 110.7 | L216 Y217 S222 L223 L224 P315 I317 | L216-I220 HydrophobicContact CD1-CD1 4.44Å; L216-I220 HydrophobicContact CG-CD1 4.18Å; L216-I220 VanDerWaalsContact O-CG1 3.3Å; L216-I220 WeakPolarHBondContact O-CG1 3.22Å; L216-I220 PolarHBondContact O-N 2.79Å; Y217-I220 PolarHBondContact O-N 2.79Å; I220-S222 VanDerWaalsContact C-N 3.3Å; I220-S222 PolarHBondContact O-N 2.77Å; I220-L223 WeakPolarHBondContact O-CB 3.47Å; I220-L223 PolarHBondContact O-N 3.03Å; I220-L223 VanDerWaalsContact O-N 3.13Å; I220-L224 HydrophobicContact CG2-CD1 4.17Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.96Å; I220-P315 HydrophobicContact CD1-CB 4.27Å; I220-I317 HydrophobicContact CG1-CD1 3.84Å; I220-I317 HydrophobicContact CG1-CG1 4.3Å |
| 221 | F | 86.4 | Confident | 86.7 | Confident | 138 Ų | 138 | 90.8 Ų | 90.8 | 61% | 0.605 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.8 | -39.6 | 176.4 | -79.1 | -62.4 | 0 | 0 | 0 | 112.2 | Y217 N218 L224 S225 | Y217-F221 WeakPolarHBondContact O-CD2 3.43Å; Y217-F221 PolarHBondContact O-N 2.93Å; N218-F221 PolarHBondContact O-N 3.44Å; F221-L224 HydrophobicContact CD1-CD1 4.36Å; F221-L224 PolarHBondContact O-N 2.9Å; F221-S225 PolarHBondContact O-N 3.42Å |
| 222 | S | 87.7 | Confident | 87.2 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 47% | 0.469 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.6 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | N218 S219 I220 L224 S225 | N218-S222 WeakPolarHBondContact O-CB 3.47Å; N218-S222 PolarHBondContact O-N 2.72Å; S219-S222 WeakPolarHBondContact O-CB 3.33Å; S219-S222 PolarHBondContact O-N 2.9Å; I220-S222 VanDerWaalsContact C-N 3.3Å; I220-S222 PolarHBondContact O-N 2.77Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.89Å; S222-S225 WeakPolarHBondContact O-CB 3.31Å; S222-S225 PolarHBondContact O-N 3.33Å; S222-S225 VanDerWaalsContact O-N 3.14Å; S222-S225 PolarHBondContact O-OG 2.91Å |
| 223 | L | 88.1 | Confident | 87.7 | Confident | 14 Ų | 14 | 82.1 Ų | 82.1 | 7% | 0.073 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.2 | -69.3 | 178.9 | 0 | 0 | 0 | 112 | S219 I220 S225 F226 I317 F358 | S219-L223 WeakPolarHBondContact O-CG 3.39Å; S219-L223 PolarHBondContact O-N 2.79Å; I220-L223 WeakPolarHBondContact O-CB 3.47Å; I220-L223 PolarHBondContact O-N 3.03Å; I220-L223 VanDerWaalsContact O-N 3.13Å; L223-S225 PolarHBondContact O-N 3.39Å; L223-S225 VanDerWaalsContact O-N 3.15Å; L223-F226 HydrophobicContact CD2-CD2 4.19Å; L223-F226 HydrophobicContact CD2-CE2 3.49Å; L223-F226 VanDerWaalsContact CD2-CE2 3.49Å; L223-F226 HydrophobicContact CD2-CZ 4.2Å; L223-F226 PolarHBondContact O-N 3.1Å; L223-F226 VanDerWaalsContact O-N 3.15Å; L223-I317 HydrophobicContact CD1-CD1 3.72Å; L223-I317 HydrophobicContact CD1-CG1 4.04Å; L223-I317 HydrophobicContact CD1-CG2 3.76Å; L223-F358 HydrophobicContact CB-CD1 3.69Å; L223-F358 HydrophobicContact CB-CD2 4.29Å; L223-F358 HydrophobicContact CB-CE1 3.79Å; L223-F358 HydrophobicContact CB-CE2 4.4Å; L223-F358 HydrophobicContact CB-CG 3.95Å; L223-F358 HydrophobicContact CB-CZ 4.15Å; L223-F358 HydrophobicContact CD1-CD2 4.11Å; L223-F358 HydrophobicContact CD1-CE2 4.34Å; L223-F358 HydrophobicContact CD1-CG 4.42Å; L223-F358 HydrophobicContact CD2-CB 4.32Å; L223-F358 HydrophobicContact CD2-CG 4.42Å; L223-F358 WeakPolarHBondContact O-CD1 3.35Å; L223-F358 WeakPolarHBondContact O-CE1 3.49Å |
| 224 | L | 88.1 | Confident | 88.4 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 45% | 0.45 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.5 | 175.7 | -68.6 | 171.2 | 0 | 0 | 0 | 113.7 | I220 F221 S222 I229 F358 | I220-L224 HydrophobicContact CG2-CD1 4.17Å; I220-L224 HydrophobicContact CG2-CG 4.46Å; I220-L224 WeakPolarHBondContact O-CG 3.33Å; I220-L224 PolarHBondContact O-N 2.96Å; F221-L224 HydrophobicContact CD1-CD1 4.36Å; F221-L224 PolarHBondContact O-N 2.9Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.89Å; L224-I229 WeakPolarHBondContact O-CD1 3.43Å; L224-F358 HydrophobicContact CD2-CE1 4.05Å; L224-F358 HydrophobicContact CD2-CZ 4.2Å |
| 225 | S | 86.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -7.2 | 174.7 | 76.4 | 0 | 0 | 0 | 0 | 114.2 | F221 S222 L223 | F221-S225 PolarHBondContact O-N 3.42Å; S222-S225 WeakPolarHBondContact O-CB 3.31Å; S222-S225 PolarHBondContact O-N 3.33Å; S222-S225 VanDerWaalsContact O-N 3.14Å; S222-S225 PolarHBondContact O-OG 2.91Å; L223-S225 PolarHBondContact O-N 3.39Å; L223-S225 VanDerWaalsContact O-N 3.15Å |
| 226 | F | 86.2 | Confident | 89.1 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 26% | 0.259 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -73.2 | 149.2 | 178 | -65 | -22.9 | 0 | 0 | 0 | 112.6 | L223 I229 F358 I360 | L223-F226 HydrophobicContact CD2-CD2 4.19Å; L223-F226 HydrophobicContact CD2-CE2 3.49Å; L223-F226 VanDerWaalsContact CD2-CE2 3.49Å; L223-F226 HydrophobicContact CD2-CZ 4.2Å; L223-F226 PolarHBondContact O-N 3.1Å; L223-F226 VanDerWaalsContact O-N 3.15Å; F226-I229 HydrophobicContact CB-CG1 4.47Å; F226-I229 VanDerWaalsContact O-CD1 3.3Å; F226-I229 WeakPolarHBondContact O-CD1 3.17Å; F226-I229 WeakPolarHBondContact O-CG1 3.28Å; F226-F358 HydrophobicContact CD2-CB 4.11Å; F226-I360 HydrophobicContact CD2-CG1 4.21Å; F226-I360 HydrophobicContact CE2-CB 4.39Å; F226-I360 HydrophobicContact CE2-CD1 4.37Å; F226-I360 HydrophobicContact CE2-CG1 3.41Å; F226-I360 VanDerWaalsContact CE2-CG1 3.41Å; F226-I360 HydrophobicContact CZ-CG1 3.88Å |
| 227 | E | 85.1 | Confident | 89.6 | Confident | 173 Ų | 173 | 73.4 Ų | 73.4 | 81% | 0.808 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -68.8 | -37.7 | 179.2 | -169.8 | -177.3 | 168.3 | 0 | 0 | 111.9 | ||
| 228 | K | 89.9 | Confident | 90 | Very high | 75 Ų | 75 | 69 Ų | 69 | 33% | 0.326 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 86.2 | -175.3 | -70.4 | -175.3 | -179.1 | 169.5 | 0 | 112 | L258 Q359 Q361 | K228-L258 HydrophobicContact CB-CD2 4.09Å; K228-Q359 HydrophobicContact CB-CB 3.88Å; K228-Q359 HydrophobicContact CD-CB 4.47Å; K228-Q359 HydrophobicContact CD-CG 4.42Å; K228-Q359 PolarHBondContact O-N 3.25Å; K228-Q361 HydrophobicContact CD-CG 4.34Å |
| 229 | I | 93.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 68 Ų | 68 | 32% | 0.323 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.3 | 175.6 | -53.1 | 173.6 | 0 | 0 | 0 | 109.4 | L224 F226 F358 | L224-I229 WeakPolarHBondContact O-CD1 3.43Å; F226-I229 HydrophobicContact CB-CG1 4.47Å; F226-I229 VanDerWaalsContact O-CD1 3.3Å; F226-I229 WeakPolarHBondContact O-CD1 3.17Å; F226-I229 WeakPolarHBondContact O-CG1 3.28Å; I229-F358 HydrophobicContact CB-CD1 4.38Å; I229-F358 HydrophobicContact CB-CE1 4.39Å; I229-F358 HydrophobicContact CD1-CD1 4.26Å; I229-F358 HydrophobicContact CD1-CE1 4.01Å; I229-F358 HydrophobicContact CG1-CD1 3.8Å; I229-F358 HydrophobicContact CG1-CE1 3.96Å; I229-F358 HydrophobicContact CG2-CD1 3.97Å; I229-F358 HydrophobicContact CG2-CE1 3.61Å; I229-F358 HydrophobicContact CG2-CZ 4.2Å |
| 230 | G | 91.7 | Very high | 90 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V257 F356 L357 | G230-V257 VanDerWaalsContact CA-CG1 3.47Å; G230-F356 WeakPolarHBondContact O-CA 3.39Å; G230-L357 PolarHBondContact N-O 2.94Å; G230-L357 PolarHBondContact O-N 2.95Å |
| 231 | Y | 92.1 | Very high | 89.8 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.6 | 172.7 | 163.5 | -102 | 0 | 0 | 0 | 109.4 | E233 R354 F356 | Y231-E233 HydrophobicContact CE1-CG 4.48Å; Y231-E233 VanDerWaalsContact OH-CG 3.27Å; Y231-E233 WeakPolarHBondContact OH-CG 3.19Å; Y231-E233 PolarHBondContact OH-OE1 3.17Å; Y231-R354 HydrophobicContact CE2-CB 4.16Å; Y231-R354 HydrophobicContact CE2-CG 4.01Å; Y231-F356 HydrophobicContact CD2-CD1 4.11Å; Y231-F356 HydrophobicContact CD2-CD2 4.34Å; Y231-F356 AromaticContact CD2-CE1 3.62Å; Y231-F356 HydrophobicContact CD2-CE1 3.62Å; Y231-F356 AromaticContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CG 4.45Å; Y231-F356 AromaticContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CD2-CZ 3.48Å; Y231-F356 VanDerWaalsContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CE2-CE1 4.38Å; Y231-F356 HydrophobicContact CE2-CE2 4.06Å; Y231-F356 AromaticContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CG-CE1 4.27Å; Y231-F356 HydrophobicContact CG-CZ 4.5Å |
| 232 | T | 94 | Very high | 89.2 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 150.4 | 171.3 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | V234 F255 V257 L355 | T232-V234 HydrophobicContact CG2-CG1 3.75Å; T232-F255 HydrophobicContact CG2-CD2 3.75Å; T232-F255 HydrophobicContact CG2-CE2 3.83Å; T232-F255 HydrophobicContact CG2-CG 4.49Å; T232-V257 HydrophobicContact CG2-CG2 3.58Å; T232-L355 HydrophobicContact CG2-CB 4.15Å; T232-L355 HydrophobicContact CG2-CD2 4.29Å; T232-L355 PolarHBondContact N-O 3.16Å; T232-L355 PolarHBondContact O-N 2.69Å |
| 233 | E | 93.4 | Very high | 88.5 | Confident | 96 Ų | 96 | 71.3 Ų | 71.3 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 124.1 | 170.3 | -55.5 | -159.2 | 142.3 | 0 | 0 | 108.7 | Y231 P307 R354 | Y231-E233 HydrophobicContact CE1-CG 4.48Å; Y231-E233 VanDerWaalsContact OH-CG 3.27Å; Y231-E233 WeakPolarHBondContact OH-CG 3.19Å; Y231-E233 PolarHBondContact OH-OE1 3.17Å; E233-P307 VanDerWaalsContact OE1-CD 3.26Å; E233-P307 WeakPolarHBondContact OE1-CD 3.33Å; E233-P307 VanDerWaalsContact OE1-CG 3.31Å; E233-P307 WeakPolarHBondContact OE1-CG 3.2Å; E233-P307 WeakPolarHBondContact OE2-CG 3.36Å; E233-R354 HydrophobicContact CG-CG 4.21Å; E233-R354 IonicContact OE1-CZ 3.53Å; E233-R354 IonicContact OE1-NE 3.67Å; E233-R354 PolarHBondContact OE1-NE 2.97Å; E233-R354 IonicContact OE1-NH2 3.2Å; E233-R354 PolarHBondContact OE1-NH2 2.97Å |
| 234 | V | 93.7 | Very high | 87.4 | Confident | 6 Ų | 6 | 80.9 Ų | 80.9 | 4% | 0.036 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.3 | -175.9 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | T232 F236 T252 F255 L264 L303 N352 L353 L355 | T232-V234 HydrophobicContact CG2-CG1 3.75Å; V234-F236 HydrophobicContact CG2-CD2 4.34Å; V234-F236 HydrophobicContact CG2-CE2 3.83Å; V234-T252 HydrophobicContact CB-CG2 3.99Å; V234-F255 HydrophobicContact CG1-CD1 4.11Å; V234-F255 HydrophobicContact CG1-CE1 3.81Å; V234-F255 HydrophobicContact CG1-CE2 4.35Å; V234-F255 HydrophobicContact CG1-CZ 3.95Å; V234-L264 HydrophobicContact CB-CD1 4.21Å; V234-L264 HydrophobicContact CG1-CD1 4.04Å; V234-L264 HydrophobicContact CG2-CD1 3.81Å; V234-L303 HydrophobicContact CG2-CD1 3.95Å; V234-N352 WeakPolarHBondContact O-CA 3.36Å; V234-L353 HydrophobicContact CG2-CB 4.02Å; V234-L353 WeakPolarHBondContact CG2-O 3.49Å; V234-L353 PolarHBondContact N-O 3.25Å; V234-L353 PolarHBondContact O-N 3.16Å; V234-L355 HydrophobicContact CG1-CB 4.02Å; V234-L355 HydrophobicContact CG1-CD2 4.36Å; V234-L355 HydrophobicContact CG2-CB 4.44Å |
| 235 | Q | 93.4 | Very high | 86.5 | Confident | 67 Ų | 67 | 80 Ų | 80 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.3 | 175.8 | 179.7 | 174 | 81.1 | 0 | 0 | 109.6 | T252 P253 N350 N352 | Q235-T252 WeakPolarHBondContact O-CA 3.45Å; Q235-P253 WeakPolarHBondContact O-CD 3.47Å; Q235-N350 VanDerWaalsContact CD-ND2 3.34Å; Q235-N350 HydrophobicContact CG-CB 3.7Å; Q235-N350 PolarHBondContact NE2-ND2 2.82Å; Q235-N350 PolarHBondContact OE1-ND2 3.32Å; Q235-N352 WeakPolarHBondContact CG-OD1 3.43Å; Q235-N352 PolarHBondContact NE2-OD1 3.33Å |
| 236 | F | 93.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.8 | 172.4 | -76.7 | -93.2 | 0 | 0 | 0 | 109.8 | V234 Y250 T252 L264 A266 L303 N350 I351 L353 | V234-F236 HydrophobicContact CG2-CD2 4.34Å; V234-F236 HydrophobicContact CG2-CE2 3.83Å; F236-Y250 HydrophobicContact CB-CD1 4.18Å; F236-T252 HydrophobicContact CD1-CG2 3.88Å; F236-T252 HydrophobicContact CD2-CG2 3.88Å; F236-T252 HydrophobicContact CE1-CG2 3.99Å; F236-T252 HydrophobicContact CE2-CG2 3.97Å; F236-T252 HydrophobicContact CG-CG2 3.85Å; F236-T252 HydrophobicContact CZ-CG2 4.05Å; F236-L264 HydrophobicContact CE1-CB 3.69Å; F236-L264 HydrophobicContact CE2-CB 4.42Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; F236-L264 HydrophobicContact CZ-CB 3.5Å; F236-L264 HydrophobicContact CZ-CD1 3.9Å; F236-L264 HydrophobicContact CZ-CG 4.22Å; F236-A266 HydrophobicContact CD1-CB 4.01Å; F236-A266 HydrophobicContact CE1-CB 3.7Å; F236-L303 HydrophobicContact CE2-CD2 4.23Å; F236-L303 HydrophobicContact CZ-CD2 4.27Å; F236-N350 WeakPolarHBondContact O-CA 3.42Å; F236-I351 HydrophobicContact CB-CB 3.97Å; F236-I351 WeakPolarHBondContact CB-O 3.4Å; F236-I351 HydrophobicContact CD2-CG2 4.48Å; F236-I351 PolarHBondContact N-O 2.86Å; F236-I351 PolarHBondContact O-N 3.47Å; F236-I351 VanDerWaalsContact O-N 3.09Å; F236-L353 HydrophobicContact CD2-CD1 4.25Å; F236-L353 HydrophobicContact CE2-CB 4.46Å; F236-L353 HydrophobicContact CE2-CD1 3.88Å |
| 237 | R | 93.6 | Very high | 85.5 | Confident | 135 Ų | 135 | 79.7 Ų | 79.7 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135 | 175.8 | -63.4 | -178.7 | -177.6 | 170.8 | 1.6 | 109.3 | Y250 E251 | R237-Y250 WeakPolarHBondContact O-CA 3.48Å; R237-E251 PolarHBondContact N-O 2.81Å; R237-E251 PolarHBondContact O-N 3.34Å |
| 238 | P | 91.9 | Very high | 85.5 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.5 | 178.3 | 29.5 | -33.8 | 0 | 0 | 0 | 110.4 | L248 Y249 Y250 K349 | P238-L248 HydrophobicContact CB-CD1 3.78Å; P238-Y249 CarbonylContact C-O 3.47Å; P238-Y249 VanDerWaalsContact CA-O 3.32Å; P238-Y249 WeakPolarHBondContact CA-O 3.26Å; P238-Y250 HydrophobicContact CB-CD1 4.14Å; P238-Y250 HydrophobicContact CB-CE1 3.84Å; P238-K349 WeakPolarHBondContact CD-O 3.31Å |
| 239 | Y | 89.8 | Confident | 85.5 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 160 | 166.6 | 73 | -82.9 | 0 | 0 | 0 | 109.4 | Y249 E251 | Y239-Y249 HydrophobicContact CE1-CG 4.45Å; Y239-Y249 HydrophobicContact CE2-CD2 4.15Å; Y239-Y249 HydrophobicContact CE2-CG 4.18Å; Y239-Y249 AromaticContact CZ-CG 3.94Å; Y239-Y249 PolarHBondContact N-O 3.19Å; Y239-Y249 PolarHBondContact O-N 2.87Å; Y239-Y249 VanDerWaalsContact O-O 3.07Å; Y239-Y249 WeakPolarHBondContact OH-CB 3.48Å; Y239-E251 HydrophobicContact CD1-CB 3.85Å; Y239-E251 HydrophobicContact CE1-CB 3.53Å |
| 240 | R | 85.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159 | 178.9 | -69.5 | -173.1 | 177.7 | 89.7 | 3.3 | 110.8 | R102 E105 R247 L248 | R102-R240 PolarHBondContact O-NH2 3.17Å; E105-R240 VanDerWaalsContact CD-CD 3.42Å; E105-R240 VanDerWaalsContact CD-CZ 3.48Å; E105-R240 VanDerWaalsContact CD-NH1 3.31Å; E105-R240 WeakPolarHBondContact OE1-CD 3.32Å; E105-R240 IonicContact OE1-CZ 3.02Å; E105-R240 IonicContact OE1-NE 3.37Å; E105-R240 IonicContact OE1-NH1 2.65Å; E105-R240 PolarHBondContact OE1-NH1 3.42Å; E105-R240 WeakPolarHBondContact OE2-CD 3.16Å; E105-R240 IonicContact OE2-CZ 3.4Å; E105-R240 IonicContact OE2-NE 3.92Å; E105-R240 PolarHBondContact OE2-NE 2.93Å; R240-R247 WeakPolarHBondContact CA-O 3.45Å; R240-L248 HydrophobicContact CG-CD1 4.45Å |
| 241 | T | 81.4 | Confident | 85.7 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | trans | -95.9 | 146.6 | 173.9 | 38.6 | 0 | 0 | 0 | 0 | 109 | D243 R247 Y249 | T241-D243 PolarHBondContact O-N 3.05Å; T241-R247 PolarHBondContact N-O 3.45Å; T241-R247 PolarHBondContact OG1-N 2.85Å; T241-Y249 HydrophobicContact CG2-CD2 3.87Å; T241-Y249 HydrophobicContact CG2-CE2 3.49Å; T241-Y249 VanDerWaalsContact CG2-CE2 3.49Å | ||
| 242 | D | 74.2 | Confident | 85.9 | Confident | 172 Ų | 172 | 64.6 Ų | 64.6 | 92% | 0.92 | 31% | 0.306 | S | S | * | . | trans | -77.7 | 21.9 | 178.2 | -60.6 | -32.2 | 0 | 0 | 0 | 112.8 | ||||
| 243 | D | 72.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -70.5 | 156.2 | 176.6 | -68.4 | -34.7 | 0 | 0 | 0 | 110.7 | T241 I245 | T241-D243 PolarHBondContact O-N 3.05Å; D243-I245 CarbonylContact O-C 3.59Å; D243-I245 PolarHBondContact O-N 3.07Å |
| 244 | F | 65.1 | Low | 86 | Confident | 215 Ų | 215 | 70.4 Ų | 70.4 | 94% | 0.943 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -53.6 | -30.3 | 177.1 | -176.6 | -96.2 | 0 | 0 | 0 | 113.5 | ||
| 245 | I | 68.6 | Low | 86.2 | Confident | 68 Ų | 68 | 71.3 Ų | 71.3 | 35% | 0.349 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -111 | 105.4 | 166.8 | -59 | 173.5 | 0 | 0 | 0 | 106.4 | D243 R247 R273 | D243-I245 CarbonylContact O-C 3.59Å; D243-I245 PolarHBondContact O-N 3.07Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-R247 VanDerWaalsContact O-N 3.15Å; I245-R273 HydrophobicContact CD1-CG 4.17Å |
| 246 | T | 71.9 | Confident | 86.2 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 117.8 | -178.5 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | E105 | E105-T246 PolarHBondContact OE2-OG1 3.41Š|
| 247 | R | 79.5 | Confident | 86.3 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 32% | 0.321 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 133.8 | 178.1 | -66.7 | 177 | -177.3 | 173.6 | 2.3 | 110.2 | R240 T241 I245 Y249 | R240-R247 WeakPolarHBondContact CA-O 3.45Å; T241-R247 PolarHBondContact N-O 3.45Å; T241-R247 PolarHBondContact OG1-N 2.85Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-R247 VanDerWaalsContact O-N 3.15Å; R247-Y249 HydrophobicContact CB-CD2 4.19Å; R247-Y249 HydrophobicContact CB-CE2 3.48Å; R247-Y249 VanDerWaalsContact CB-CE2 3.48Å; R247-Y249 WeakPolarHBondContact CD-OH 3.31Å; R247-Y249 WeakPolarHBondContact O-CD2 3.36Å |
| 248 | L | 85.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120 | 175.1 | -177.9 | 65.3 | 0 | 0 | 0 | 110.5 | R102 L103 P238 R240 Y250 | R102-L248 HydrophobicContact CG-CD2 3.82Å; L103-L248 HydrophobicContact CD2-CD2 3.92Å; P238-L248 HydrophobicContact CB-CD1 3.78Å; R240-L248 HydrophobicContact CG-CD1 4.45Å; L248-Y250 HydrophobicContact CD1-CE2 4.42Å; L248-Y250 HydrophobicContact CD2-CE2 3.77Å; L248-Y250 HydrophobicContact CG-CD2 4.48Å; L248-Y250 HydrophobicContact CG-CE2 3.81Å |
| 249 | Y | 90.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165 | 171.8 | -64.6 | -80.5 | 0 | 0 | 0 | 110 | P238 Y239 T241 R247 R267 S271 | P238-Y249 CarbonylContact C-O 3.47Å; P238-Y249 VanDerWaalsContact CA-O 3.32Å; P238-Y249 WeakPolarHBondContact CA-O 3.26Å; Y239-Y249 HydrophobicContact CE1-CG 4.45Å; Y239-Y249 HydrophobicContact CE2-CD2 4.15Å; Y239-Y249 HydrophobicContact CE2-CG 4.18Å; Y239-Y249 AromaticContact CZ-CG 3.94Å; Y239-Y249 PolarHBondContact N-O 3.19Å; Y239-Y249 PolarHBondContact O-N 2.87Å; Y239-Y249 VanDerWaalsContact O-O 3.07Å; Y239-Y249 WeakPolarHBondContact OH-CB 3.48Å; T241-Y249 HydrophobicContact CG2-CD2 3.87Å; T241-Y249 HydrophobicContact CG2-CE2 3.49Å; T241-Y249 VanDerWaalsContact CG2-CE2 3.49Å; R247-Y249 HydrophobicContact CB-CD2 4.19Å; R247-Y249 HydrophobicContact CB-CE2 3.48Å; R247-Y249 VanDerWaalsContact CB-CE2 3.48Å; R247-Y249 WeakPolarHBondContact CD-OH 3.31Å; R247-Y249 WeakPolarHBondContact O-CD2 3.36Å; Y249-R267 HydrophobicContact CD1-CB 4.35Å; Y249-R267 HydrophobicContact CD1-CG 3.8Å; Y249-R267 HydrophobicContact CE1-CB 4.35Å; Y249-R267 HydrophobicContact CE1-CG 3.76Å; Y249-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y249-S271 PolarHBondContact OH-OG 3.44Å |
| 250 | Y | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.8 | 176.9 | -72.5 | -91.5 | 0 | 0 | 0 | 109.7 | F236 R237 P238 L248 K265 A266 V268 L283 L346 I351 | F236-Y250 HydrophobicContact CB-CD1 4.18Å; R237-Y250 WeakPolarHBondContact O-CA 3.48Å; P238-Y250 HydrophobicContact CB-CD1 4.14Å; P238-Y250 HydrophobicContact CB-CE1 3.84Å; L248-Y250 HydrophobicContact CD1-CE2 4.42Å; L248-Y250 HydrophobicContact CD2-CE2 3.77Å; L248-Y250 HydrophobicContact CG-CD2 4.48Å; L248-Y250 HydrophobicContact CG-CE2 3.81Å; Y250-K265 CarbonylContact O-C 3.39Å; Y250-K265 WeakPolarHBondContact O-CA 3.38Å; Y250-A266 PolarHBondContact N-O 3.26Å; Y250-A266 PolarHBondContact O-N 3.18Å; Y250-V268 HydrophobicContact CD2-CG2 4.22Å; Y250-V268 HydrophobicContact CE2-CG2 3.87Å; Y250-L283 HydrophobicContact CD2-CD1 4.48Å; Y250-L346 HydrophobicContact CE2-CD2 3.95Å; Y250-I351 HydrophobicContact CD1-CD1 3.95Å; Y250-I351 HydrophobicContact CD1-CG1 4.48Å; Y250-I351 HydrophobicContact CD2-CD1 4.36Å; Y250-I351 HydrophobicContact CE1-CD1 3.66Å; Y250-I351 HydrophobicContact CE1-CG1 4.11Å; Y250-I351 HydrophobicContact CE2-CD1 4.12Å; Y250-I351 HydrophobicContact CG-CD1 4.28Å |
| 251 | E | 95.3 | Very high | 86.8 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.8 | 176.5 | 179.3 | 172.3 | -129.7 | 0 | 0 | 110 | R237 Y239 V263 L264 K265 | R237-E251 PolarHBondContact N-O 2.81Å; R237-E251 PolarHBondContact O-N 3.34Å; Y239-E251 HydrophobicContact CD1-CB 3.85Å; Y239-E251 HydrophobicContact CE1-CB 3.53Å; E251-V263 HydrophobicContact CG-CG1 3.73Å; E251-V263 WeakPolarHBondContact OE1-CG1 3.31Å; E251-L264 WeakPolarHBondContact CA-O 3.09Å; E251-K265 HydrophobicContact CB-CG 4.45Å; E251-K265 HydrophobicContact CG-CG 4.2Å; E251-K265 WeakPolarHBondContact OE1-CE 3.31Å |
| 252 | T | 96.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 147.8 | 172 | 66.3 | 0 | 0 | 0 | 0 | 110.1 | V234 Q235 F236 F255 L264 | V234-T252 HydrophobicContact CB-CG2 3.99Å; Q235-T252 WeakPolarHBondContact O-CA 3.45Å; F236-T252 HydrophobicContact CD1-CG2 3.88Å; F236-T252 HydrophobicContact CD2-CG2 3.88Å; F236-T252 HydrophobicContact CE1-CG2 3.99Å; F236-T252 HydrophobicContact CE2-CG2 3.97Å; F236-T252 HydrophobicContact CG-CG2 3.85Å; F236-T252 HydrophobicContact CZ-CG2 4.05Å; T252-F255 WeakPolarHBondContact OG1-CE1 3.38Å; T252-L264 HydrophobicContact CG2-CB 3.78Å; T252-L264 HydrophobicContact CG2-CD1 4.45Å; T252-L264 PolarHBondContact N-O 3.49Å; T252-L264 PolarHBondContact OG1-N 3.1Å |
| 253 | P | 95.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -52 | 156.1 | 159.8 | -22.4 | 33.8 | 0 | 0 | 0 | 110.8 | Q235 F255 | Q235-P253 WeakPolarHBondContact O-CD 3.47Å; P253-F255 WeakPolarHBondContact O-CD1 3.27Å; P253-F255 PolarHBondContact O-N 2.98Å |
| 254 | R | 95.8 | Very high | 89.7 | Confident | 195 Ų | 195 | 57.2 Ų | 57.2 | 74% | 0.736 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.9 | 172 | -69.5 | 177.5 | -172.9 | 154 | 3.3 | 109.1 | T261 W262 V263 | R254-T261 HydrophobicContact CB-CG2 3.94Å; R254-T261 HydrophobicContact CG-CG2 4.32Å; R254-W262 WeakPolarHBondContact CA-O 3.35Å; R254-V263 HydrophobicContact CB-CG2 4.38Å; R254-V263 HydrophobicContact CG-CG2 3.58Å |
| 255 | F | 96.1 | Very high | 91.1 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 11% | 0.114 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.2 | 175.7 | 61.3 | -92.7 | 0 | 0 | 0 | 109.9 | T232 V234 T252 P253 V257 T261 W262 L264 L287 L355 | T232-F255 HydrophobicContact CG2-CD2 3.75Å; T232-F255 HydrophobicContact CG2-CE2 3.83Å; T232-F255 HydrophobicContact CG2-CG 4.49Å; V234-F255 HydrophobicContact CG1-CD1 4.11Å; V234-F255 HydrophobicContact CG1-CE1 3.81Å; V234-F255 HydrophobicContact CG1-CE2 4.35Å; V234-F255 HydrophobicContact CG1-CZ 3.95Å; T252-F255 WeakPolarHBondContact OG1-CE1 3.38Å; P253-F255 WeakPolarHBondContact O-CD1 3.27Å; P253-F255 PolarHBondContact O-N 2.98Å; F255-V257 HydrophobicContact CD2-CG2 3.98Å; F255-V257 HydrophobicContact CE2-CG2 4.33Å; F255-T261 WeakPolarHBondContact O-CA 3.43Å; F255-W262 HydrophobicContact CD2-CB 4.05Å; F255-W262 HydrophobicContact CE1-CB 4.14Å; F255-W262 HydrophobicContact CE2-CB 3.47Å; F255-W262 VanDerWaalsContact CE2-CB 3.47Å; F255-W262 HydrophobicContact CE2-CG 4.04Å; F255-W262 HydrophobicContact CZ-CB 3.51Å; F255-W262 HydrophobicContact CZ-CG 4.44Å; F255-W262 PolarHBondContact N-O 3.45Å; F255-W262 VanDerWaalsContact N-O 3.08Å; F255-W262 PolarHBondContact O-N 2.85Å; F255-L264 HydrophobicContact CE1-CD1 4.28Å; F255-L264 HydrophobicContact CE1-CG 4.33Å; F255-L264 HydrophobicContact CZ-CD1 4.19Å; F255-L264 HydrophobicContact CZ-CG 4.29Å; F255-L287 HydrophobicContact CZ-CD1 4.47Å; F255-L355 HydrophobicContact CE2-CD2 3.51Å; F255-L355 HydrophobicContact CZ-CD2 3.41Å; F255-L355 VanDerWaalsContact CZ-CD2 3.41Å |
| 256 | T | 95.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 123 | -176.7 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | Q260 | T256-Q260 CarbonylContact C-O 3.59Å; T256-Q260 VanDerWaalsContact CA-O 3.28Å; T256-Q260 WeakPolarHBondContact CA-O 3.41Å; T256-Q260 WeakPolarHBondContact CG2-O 3.3Å |
| 257 | V | 94.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 138.2 | 179 | 169.2 | 0 | 0 | 0 | 0 | 108 | G230 T232 F255 N259 Q260 W262 L357 | G230-V257 VanDerWaalsContact CA-CG1 3.47Å; T232-V257 HydrophobicContact CG2-CG2 3.58Å; F255-V257 HydrophobicContact CD2-CG2 3.98Å; F255-V257 HydrophobicContact CE2-CG2 4.33Å; V257-N259 PolarHBondContact O-N 3.44Å; V257-Q260 PolarHBondContact N-O 3.22Å; V257-Q260 PolarHBondContact O-N 3.47Å; V257-Q260 VanDerWaalsContact O-N 3.07Å; V257-Q260 VanDerWaalsContact O-O 3.09Å; V257-W262 PolarHBondContact O-NE1 2.95Å; V257-L357 HydrophobicContact CG1-CB 4.39Å |
| 258 | L | 92 | Very high | 93.5 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 40.1 | -177 | -61.7 | 174.4 | 0 | 0 | 0 | 113.1 | K228 Q260 L357 Q359 | K228-L258 HydrophobicContact CB-CD2 4.09Å; L258-Q260 PolarHBondContact O-N 3.38Å; L258-Q260 VanDerWaalsContact O-N 3.12Å; L258-L357 HydrophobicContact CD1-CB 4.1Å; L258-Q359 HydrophobicContact CD1-CB 3.97Å |
| 259 | N | 90.5 | Very high | 93.2 | Very high | 155 Ų | 155 | 43.6 Ų | 43.6 | 83% | 0.829 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 20.8 | -177.4 | -59.4 | -10.6 | 0 | 0 | 0 | 114.7 | V257 | V257-N259 PolarHBondContact O-N 3.44Š|
| 260 | Q | 93.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.164 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.7 | 175.7 | -61.5 | -60.2 | -27.1 | 0 | 0 | 109.7 | T256 V257 L258 W262 L289 S291 L297 | T256-Q260 CarbonylContact C-O 3.59Å; T256-Q260 VanDerWaalsContact CA-O 3.28Å; T256-Q260 WeakPolarHBondContact CA-O 3.41Å; T256-Q260 WeakPolarHBondContact CG2-O 3.3Å; V257-Q260 PolarHBondContact N-O 3.22Å; V257-Q260 PolarHBondContact O-N 3.47Å; V257-Q260 VanDerWaalsContact O-N 3.07Å; V257-Q260 VanDerWaalsContact O-O 3.09Å; L258-Q260 PolarHBondContact O-N 3.38Å; L258-Q260 VanDerWaalsContact O-N 3.12Å; Q260-W262 HydrophobicContact CB-CZ2 3.69Å; Q260-W262 HydrophobicContact CG-CZ2 4.19Å; Q260-W262 PolarHBondContact O-NE1 3.4Å; Q260-L289 HydrophobicContact CB-CD1 3.81Å; Q260-L289 HydrophobicContact CG-CD1 4.34Å; Q260-S291 WeakPolarHBondContact CA-OG 3.15Å; Q260-S291 PolarHBondContact OE1-OG 3.35Å; Q260-L297 HydrophobicContact CG-CD1 3.7Å |
| 261 | T | 95.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.2 | 178 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | R254 F255 K290 S291 | R254-T261 HydrophobicContact CB-CG2 3.94Å; R254-T261 HydrophobicContact CG-CG2 4.32Å; F255-T261 WeakPolarHBondContact O-CA 3.43Å; T261-K290 HydrophobicContact CG2-CB 4.25Å; T261-K290 PolarHBondContact O-N 3.37Å; T261-S291 PolarHBondContact N-OG 3.32Å; T261-S291 PolarHBondContact O-N 3.28Å |
| 262 | W | 96.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 158 | -173.6 | -52.9 | 91.3 | 0 | 0 | 0 | 111.4 | R254 F255 V257 Q260 L287 L288 L289 F322 L357 | R254-W262 WeakPolarHBondContact CA-O 3.35Å; F255-W262 HydrophobicContact CD2-CB 4.05Å; F255-W262 HydrophobicContact CE1-CB 4.14Å; F255-W262 HydrophobicContact CE2-CB 3.47Å; F255-W262 VanDerWaalsContact CE2-CB 3.47Å; F255-W262 HydrophobicContact CE2-CG 4.04Å; F255-W262 HydrophobicContact CZ-CB 3.51Å; F255-W262 HydrophobicContact CZ-CG 4.44Å; F255-W262 PolarHBondContact N-O 3.45Å; F255-W262 VanDerWaalsContact N-O 3.08Å; F255-W262 PolarHBondContact O-N 2.85Å; V257-W262 PolarHBondContact O-NE1 2.95Å; Q260-W262 HydrophobicContact CB-CZ2 3.69Å; Q260-W262 HydrophobicContact CG-CZ2 4.19Å; Q260-W262 PolarHBondContact O-NE1 3.4Å; W262-L287 HydrophobicContact CB-CD1 4.27Å; W262-L287 HydrophobicContact CE3-CD1 4.02Å; W262-L287 HydrophobicContact CE3-CD2 4.18Å; W262-L287 HydrophobicContact CE3-CG 3.99Å; W262-L287 HydrophobicContact CZ3-CD2 4.26Å; W262-L287 HydrophobicContact CZ3-CG 4.37Å; W262-L288 CarbonylContact C-O 3.6Å; W262-L288 VanDerWaalsContact CA-O 3.26Å; W262-L288 WeakPolarHBondContact CA-O 3.35Å; W262-L289 HydrophobicContact CD2-CD1 4.08Å; W262-L289 HydrophobicContact CE3-CB 4Å; W262-L289 HydrophobicContact CE3-CD1 3.92Å; W262-L289 HydrophobicContact CH2-CB 4.44Å; W262-L289 HydrophobicContact CH2-CD1 3.78Å; W262-L289 HydrophobicContact CH2-CD2 4.49Å; W262-L289 HydrophobicContact CH2-CG 4.47Å; W262-L289 HydrophobicContact CZ2-CD1 3.92Å; W262-L289 HydrophobicContact CZ3-CB 3.75Å; W262-L289 HydrophobicContact CZ3-CD1 3.78Å; W262-L289 HydrophobicContact CZ3-CG 4.23Å; W262-F322 AromaticContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CE2 4.03Å; W262-F322 HydrophobicContact CH2-CG 4.35Å; W262-F322 HydrophobicContact CZ3-CD1 4.14Å; W262-F322 AromaticContact CZ3-CD2 3.92Å; W262-F322 HydrophobicContact CZ3-CD2 3.92Å; W262-F322 AromaticContact CZ3-CE1 3.94Å; W262-F322 HydrophobicContact CZ3-CE1 3.94Å; W262-F322 AromaticContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CG 4.13Å; W262-F322 AromaticContact CZ3-CZ 3.73Å; W262-F322 HydrophobicContact CZ3-CZ 3.73Å; W262-L357 HydrophobicContact CD2-CD2 4.11Å; W262-L357 HydrophobicContact CE3-CD2 4.46Å; W262-L357 HydrophobicContact CH2-CD2 3.87Å; W262-L357 HydrophobicContact CZ2-CD2 3.45Å; W262-L357 VanDerWaalsContact CZ2-CD2 3.45Å; W262-L357 HydrophobicContact CZ3-CD2 4.35Å |
| 263 | V | 97.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.8 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | E251 R254 K265 L288 K290 | E251-V263 HydrophobicContact CG-CG1 3.73Å; E251-V263 WeakPolarHBondContact OE1-CG1 3.31Å; R254-V263 HydrophobicContact CB-CG2 4.38Å; R254-V263 HydrophobicContact CG-CG2 3.58Å; V263-K265 HydrophobicContact CG1-CG 4.42Å; V263-L288 HydrophobicContact CB-CB 4.43Å; V263-L288 PolarHBondContact N-O 3.1Å; V263-L288 WeakPolarHBondContact O-CB 3.32Å; V263-L288 WeakPolarHBondContact O-CD1 3.49Å; V263-L288 PolarHBondContact O-N 3.44Å; V263-K290 HydrophobicContact CB-CG 4.42Å; V263-K290 HydrophobicContact CG2-CG 3.76Å |
| 264 | L | 96.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.4 | 168.3 | -76.8 | 161.2 | 0 | 0 | 0 | 109.6 | V234 F236 E251 T252 F255 F285 Q286 L287 L303 L355 | V234-L264 HydrophobicContact CB-CD1 4.21Å; V234-L264 HydrophobicContact CG1-CD1 4.04Å; V234-L264 HydrophobicContact CG2-CD1 3.81Å; F236-L264 HydrophobicContact CE1-CB 3.69Å; F236-L264 HydrophobicContact CE2-CB 4.42Å; F236-L264 HydrophobicContact CE2-CD1 4.21Å; F236-L264 HydrophobicContact CZ-CB 3.5Å; F236-L264 HydrophobicContact CZ-CD1 3.9Å; F236-L264 HydrophobicContact CZ-CG 4.22Å; E251-L264 WeakPolarHBondContact CA-O 3.09Å; T252-L264 HydrophobicContact CG2-CB 3.78Å; T252-L264 HydrophobicContact CG2-CD1 4.45Å; T252-L264 PolarHBondContact N-O 3.49Å; T252-L264 PolarHBondContact OG1-N 3.1Å; F255-L264 HydrophobicContact CE1-CD1 4.28Å; F255-L264 HydrophobicContact CE1-CG 4.33Å; F255-L264 HydrophobicContact CZ-CD1 4.19Å; F255-L264 HydrophobicContact CZ-CG 4.29Å; L264-F285 HydrophobicContact CD2-CD2 3.78Å; L264-F285 HydrophobicContact CD2-CE2 4.23Å; L264-Q286 WeakPolarHBondContact CA-O 3.32Å; L264-L287 HydrophobicContact CD2-CB 3.89Å; L264-L287 HydrophobicContact CD2-CD1 3.65Å; L264-L287 HydrophobicContact CD2-CG 4.36Å; L264-L287 HydrophobicContact CG-CD1 3.84Å; L264-L303 HydrophobicContact CD1-CD1 4.23Å; L264-L355 HydrophobicContact CD1-CD1 4.42Å; L264-L355 HydrophobicContact CD1-CD2 4.02Å |
| 265 | K | 95 | Very high | 83.7 | Confident | 50 Ų | 50 | 52 Ų | 52 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.7 | 170.8 | -70.2 | -178.4 | 176.6 | -176.3 | 0 | 109.4 | Y250 E251 V263 F285 Q286 L288 | Y250-K265 CarbonylContact O-C 3.39Å; Y250-K265 WeakPolarHBondContact O-CA 3.38Å; E251-K265 HydrophobicContact CB-CG 4.45Å; E251-K265 HydrophobicContact CG-CG 4.2Å; E251-K265 WeakPolarHBondContact OE1-CE 3.31Å; V263-K265 HydrophobicContact CG1-CG 4.42Å; K265-F285 CarbonylContact O-C 3.56Å; K265-F285 WeakPolarHBondContact O-CA 3.19Å; K265-F285 WeakPolarHBondContact O-CB 3.3Å; K265-Q286 PolarHBondContact N-O 3.11Å; K265-Q286 PolarHBondContact O-N 3.25Å; K265-L288 HydrophobicContact CB-CD1 4.09Å; K265-L288 HydrophobicContact CD-CD1 3.95Å; K265-L288 HydrophobicContact CD-CD2 4.33Å; K265-L288 HydrophobicContact CG-CD1 3.81Å |
| 266 | A | 92.8 | Very high | 81.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F236 Y250 L283 S284 F285 | F236-A266 HydrophobicContact CD1-CB 4.01Å; F236-A266 HydrophobicContact CE1-CB 3.7Å; Y250-A266 PolarHBondContact N-O 3.26Å; Y250-A266 PolarHBondContact O-N 3.18Å; A266-L283 HydrophobicContact CB-CD1 4.2Å; A266-L283 HydrophobicContact CB-CD2 4.39Å; A266-L283 HydrophobicContact CB-CG 4.22Å; A266-S284 CarbonylContact C-O 3.58Å; A266-S284 WeakPolarHBondContact CA-O 3.19Å; A266-S284 VanDerWaalsContact CB-O 3.29Å; A266-S284 WeakPolarHBondContact CB-O 3.48Å; A266-F285 HydrophobicContact CB-CB 4.09Å |
| 267 | R | 89.9 | Confident | 80.1 | Confident | 84 Ų | 84 | 56 Ų | 56 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.3 | -179.6 | -57 | -177.5 | 174.1 | 179.4 | 7 | 108.7 | Y249 L283 S284 Y331 | Y249-R267 HydrophobicContact CD1-CB 4.35Å; Y249-R267 HydrophobicContact CD1-CG 3.8Å; Y249-R267 HydrophobicContact CE1-CB 4.35Å; Y249-R267 HydrophobicContact CE1-CG 3.76Å; R267-L283 WeakPolarHBondContact O-CA 3.35Å; R267-L283 WeakPolarHBondContact O-CD1 3.43Å; R267-S284 PolarHBondContact N-O 3.43Å; R267-S284 PolarHBondContact O-N 3.21Å; R267-Y331 HydrophobicContact CB-CE1 4.47Å; R267-Y331 HydrophobicContact CG-CD1 3.9Å; R267-Y331 HydrophobicContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact NE-CE2 3.26Å; R267-Y331 PolarHBondContact NE-OH 3.07Å; R267-Y331 VanDerWaalsContact NH2-CZ 3.35Å; R267-Y331 PolarHBondContact NH2-OH 3.23Å |
| 268 | V | 86.3 | Confident | 78.6 | Confident | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134.8 | 172.8 | -170 | 0 | 0 | 0 | 0 | 108.7 | L103 Y250 D270 S271 T282 L283 L346 | L103-V268 HydrophobicContact CD2-CB 4.49Å; L103-V268 HydrophobicContact CD2-CG1 4.04Å; Y250-V268 HydrophobicContact CD2-CG2 4.22Å; Y250-V268 HydrophobicContact CE2-CG2 3.87Å; V268-D270 PolarHBondContact O-N 3.14Å; V268-D270 VanDerWaalsContact O-N 3.14Å; V268-S271 PolarHBondContact O-N 3.12Å; V268-S271 VanDerWaalsContact O-N 3.14Å; V268-T282 WeakPolarHBondContact CA-O 2.96Å; V268-L283 HydrophobicContact CG2-CD1 3.88Å; V268-L346 HydrophobicContact CG1-CD1 4.16Å; V268-L346 HydrophobicContact CG1-CD2 4.31Å; V268-L346 HydrophobicContact CG2-CD2 3.77Å |
| 269 | N | 80.1 | Confident | 77.2 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | 49.8 | 37.9 | 177.4 | -64.7 | 7.7 | 0 | 0 | 0 | 113.8 | S271 E272 P275 K280 R281 T282 | N269-S271 PolarHBondContact O-N 3.44Å; N269-E272 HydrophobicContact CB-CB 4.3Å; N269-E272 WeakPolarHBondContact O-CB 3.35Å; N269-E272 PolarHBondContact O-N 3.04Å; N269-P275 HydrophobicContact CB-CB 4.23Å; N269-K280 PolarHBondContact ND2-O 3.25Å; N269-R281 VanDerWaalsContact OD1-CA 3.25Å; N269-R281 WeakPolarHBondContact OD1-CA 3.19Å; N269-T282 PolarHBondContact N-O 2.84Å; N269-T282 PolarHBondContact OD1-N 3.35Å; N269-T282 PolarHBondContact OD1-O 3.02Å |
| 270 | D | 68.7 | Low | 76.3 | Confident | 107 Ų | 107 | 60.1 Ų | 60.1 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | 48.5 | 33.7 | -179.1 | -60 | -36.2 | 0 | 0 | 0 | 114.4 | V268 E272 S284 | V268-D270 PolarHBondContact O-N 3.14Å; V268-D270 VanDerWaalsContact O-N 3.14Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 2.95Å; D270-S284 VanDerWaalsContact OD1-CB 3.26Å; D270-S284 WeakPolarHBondContact OD1-CB 3.48Å; D270-S284 PolarHBondContact OD1-OG 3.33Å |
| 271 | S | 60.2 | Low | 75.7 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | 61.9 | 32.8 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 114.5 | Y249 V268 N269 | Y249-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y249-S271 PolarHBondContact OH-OG 3.44Å; V268-S271 PolarHBondContact O-N 3.12Å; V268-S271 VanDerWaalsContact O-N 3.14Å; N269-S271 PolarHBondContact O-N 3.44Å |
| 272 | E | 63.9 | Low | 75.2 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | trans | -52.7 | 144.5 | 170.4 | -170 | 172.2 | -155.4 | 0 | 0 | 111.3 | N269 D270 N274 P275 | N269-E272 HydrophobicContact CB-CB 4.3Å; N269-E272 WeakPolarHBondContact O-CB 3.35Å; N269-E272 PolarHBondContact O-N 3.04Å; D270-E272 VanDerWaalsContact C-N 3.3Å; D270-E272 PolarHBondContact O-N 2.95Å; E272-N274 PolarHBondContact O-N 2.81Å; E272-P275 WeakPolarHBondContact O-CD 3.17Å | ||
| 273 | R | 57 | Low | 74.9 | Confident | 183 Ų | 183 | 60.3 Ų | 60.3 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -63.8 | -29.1 | -172.8 | -163.5 | 174.3 | -175.2 | -174.9 | 1.6 | 112.9 | I245 | I245-R273 HydrophobicContact CD1-CG 4.17Š|
| 274 | N | 58.2 | Low | 74.7 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 43% | 0.428 | 30% | 0.303 | S | S | . | . | trans | -138.2 | 71.5 | -177.2 | -68.2 | -35.7 | 0 | 0 | 0 | 111.8 | E272 N276 L277 | E272-N274 PolarHBondContact O-N 2.81Å; N274-N276 PolarHBondContact O-N 2.87Å; N274-N276 VanDerWaalsContact O-N 3.08Å; N274-L277 HydrophobicContact CB-CD1 3.66Å; N274-L277 HydrophobicContact CB-CG 4.04Å; N274-L277 PolarHBondContact O-N 3.09Å | ||
| 275 | P | 57.6 | Low | 74.6 | Confident | 27 Ų | 27 | 60.3 Ų | 60.3 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.4 | -18.9 | -177.2 | 27.5 | -33.7 | 0 | 0 | 0 | 112.9 | N269 E272 L277 | N269-P275 HydrophobicContact CB-CB 4.23Å; E272-P275 WeakPolarHBondContact O-CD 3.17Å; P275-L277 VanDerWaalsContact C-N 3.29Å; P275-L277 PolarHBondContact O-N 2.94Å |
| 276 | N | 57.9 | Low | 74.6 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -73.6 | -15.4 | 179.4 | -58.3 | -39.2 | 0 | 0 | 0 | 114.1 | L103 N274 | L103-N276 VanDerWaalsContact CB-OD1 3.22Å; L103-N276 WeakPolarHBondContact CB-OD1 3.24Å; N274-N276 PolarHBondContact O-N 2.87Å; N274-N276 VanDerWaalsContact O-N 3.08Å |
| 277 | L | 58.4 | Low | 74.8 | Confident | 143 Ų | 143 | 58.4 Ų | 58.4 | 75% | 0.749 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -91.1 | -13.7 | -179.2 | -64.5 | 176 | 0 | 0 | 0 | 112.7 | N274 P275 | N274-L277 HydrophobicContact CB-CD1 3.66Å; N274-L277 HydrophobicContact CB-CG 4.04Å; N274-L277 PolarHBondContact O-N 3.09Å; P275-L277 VanDerWaalsContact C-N 3.29Å; P275-L277 PolarHBondContact O-N 2.94Å |
| 278 | S | 63.2 | Low | 75 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 25% | 0.252 | 28% | 0.28 | S | S | . | . | trans | -103.4 | 127.1 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | K280 | S278-K280 PolarHBondContact O-N 3.29Å; S278-K280 PolarHBondContact OG-N 3.35Å; S278-K280 VanDerWaalsContact OG-N 3.09Å; S278-K280 PolarHBondContact OG-O 2.83Å | ||
| 279 | C | 62.5 | Low | 75.5 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 68% | 0.676 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -73.4 | -11.8 | 168.4 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 280 | K | 72 | Confident | 76.2 | Confident | 161 Ų | 161 | 58.2 Ų | 58.2 | 70% | 0.7 | 30% | 0.296 | S | S | * | . | trans | -86.2 | 118 | 174.1 | -67.8 | -176 | 178.3 | -179.6 | 0 | 108.8 | N269 S278 | N269-K280 PolarHBondContact ND2-O 3.25Å; S278-K280 PolarHBondContact O-N 3.29Å; S278-K280 PolarHBondContact OG-N 3.35Å; S278-K280 VanDerWaalsContact OG-N 3.09Å; S278-K280 PolarHBondContact OG-O 2.83Å | ||
| 281 | R | 80.8 | Confident | 77.3 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.023 | 28% | 0.279 | C | S | . | . | trans | -115.8 | 131.9 | 176.2 | -55.3 | -162 | -169.7 | 141.3 | -0.9 | 110.8 | H96 D100 N269 S339 C342 N343 L346 | H96-R281 PolarHBondContact NE2-NH2 3.16Å; D100-R281 VanDerWaalsContact CG-NH2 3.3Å; D100-R281 IonicContact OD1-CZ 2.81Å; D100-R281 IonicContact OD1-NH2 2.75Å; D100-R281 PolarHBondContact OD1-NH2 2.92Å; D100-R281 IonicContact OD2-NH2 3.67Å; N269-R281 VanDerWaalsContact OD1-CA 3.25Å; N269-R281 WeakPolarHBondContact OD1-CA 3.19Å; R281-S339 PolarHBondContact N-OG 3.27Å; R281-C342 HydrophobicContact CB-CB 4.21Å; R281-N343 WeakPolarHBondContact CD-OD1 3.29Å; R281-N343 PolarHBondContact NH1-OD1 2.66Å; R281-L346 HydrophobicContact CB-CD1 4.33Å | ||
| 282 | T | 85.9 | Confident | 78.8 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | trans | -130.4 | 152.8 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | V268 N269 | V268-T282 WeakPolarHBondContact CA-O 2.96Å; N269-T282 PolarHBondContact N-O 2.84Å; N269-T282 PolarHBondContact OD1-N 3.35Å; N269-T282 PolarHBondContact OD1-O 3.02Å | ||
| 283 | L | 89.4 | Confident | 80 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.4 | 173.6 | -167.1 | 75.9 | 0 | 0 | 0 | 107.3 | Y250 A266 R267 V268 L334 I336 L345 I351 | Y250-L283 HydrophobicContact CD2-CD1 4.48Å; A266-L283 HydrophobicContact CB-CD1 4.2Å; A266-L283 HydrophobicContact CB-CD2 4.39Å; A266-L283 HydrophobicContact CB-CG 4.22Å; R267-L283 WeakPolarHBondContact O-CA 3.35Å; R267-L283 WeakPolarHBondContact O-CD1 3.43Å; V268-L283 HydrophobicContact CG2-CD1 3.88Å; L283-L334 HydrophobicContact CB-CB 4.34Å; L283-L334 HydrophobicContact CD2-CD2 3.78Å; L283-L334 VanDerWaalsContact O-CB 3.29Å; L283-L334 WeakPolarHBondContact O-CB 3.29Å; L283-L334 PolarHBondContact O-N 2.84Å; L283-I336 HydrophobicContact CB-CD1 3.97Å; L283-L345 HydrophobicContact CD2-CD1 4.5Å; L283-I351 HydrophobicContact CD2-CD1 4.38Å |
| 284 | S | 92.2 | Very high | 81.5 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.6 | 171 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | A266 R267 D270 V332 | A266-S284 CarbonylContact C-O 3.58Å; A266-S284 WeakPolarHBondContact CA-O 3.19Å; A266-S284 VanDerWaalsContact CB-O 3.29Å; A266-S284 WeakPolarHBondContact CB-O 3.48Å; R267-S284 PolarHBondContact N-O 3.43Å; R267-S284 PolarHBondContact O-N 3.21Å; D270-S284 VanDerWaalsContact OD1-CB 3.26Å; D270-S284 WeakPolarHBondContact OD1-CB 3.48Å; D270-S284 PolarHBondContact OD1-OG 3.33Å; S284-V332 CarbonylContact C-O 3.45Å; S284-V332 VanDerWaalsContact CA-O 3.23Å; S284-V332 WeakPolarHBondContact CA-O 3.43Å; S284-V332 WeakPolarHBondContact CB-O 3.31Å |
| 285 | F | 94.5 | Very high | 83 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.9 | -178.1 | 77.5 | -82.5 | 0 | 0 | 0 | 112.2 | L264 K265 A266 F301 L303 Y318 Y331 V332 L334 | L264-F285 HydrophobicContact CD2-CD2 3.78Å; L264-F285 HydrophobicContact CD2-CE2 4.23Å; K265-F285 CarbonylContact O-C 3.56Å; K265-F285 WeakPolarHBondContact O-CA 3.19Å; K265-F285 WeakPolarHBondContact O-CB 3.3Å; A266-F285 HydrophobicContact CB-CB 4.09Å; F285-F301 HydrophobicContact CE2-CD2 4.26Å; F285-F301 AromaticContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CZ-CE2 4.03Å; F285-L303 HydrophobicContact CD1-CD2 4.31Å; F285-L303 HydrophobicContact CD2-CD2 4.17Å; F285-L303 HydrophobicContact CE1-CB 4.48Å; F285-L303 HydrophobicContact CE1-CD2 4.41Å; F285-L303 HydrophobicContact CE2-CB 4.41Å; F285-L303 HydrophobicContact CE2-CD2 4.24Å; F285-L303 HydrophobicContact CG-CD2 4.19Å; F285-L303 HydrophobicContact CZ-CB 4.08Å; F285-L303 HydrophobicContact CZ-CD2 4.37Å; F285-Y318 AromaticContact CE1-CE2 3.88Å; F285-Y318 HydrophobicContact CE1-CE2 3.88Å; F285-Y318 AromaticContact CZ-CD2 3.87Å; F285-Y318 HydrophobicContact CZ-CD2 3.87Å; F285-Y318 AromaticContact CZ-CE2 3.67Å; F285-Y318 HydrophobicContact CZ-CE2 3.67Å; F285-Y331 WeakPolarHBondContact O-CA 3.43Å; F285-V332 HydrophobicContact CD1-CG2 4.13Å; F285-V332 HydrophobicContact CE1-CG2 3.74Å; F285-V332 HydrophobicContact CE2-CG2 4.25Å; F285-V332 HydrophobicContact CZ-CG2 3.81Å; F285-V332 PolarHBondContact N-O 2.94Å; F285-V332 WeakPolarHBondContact O-CG2 3.44Å; F285-V332 PolarHBondContact O-N 3.21Å; F285-L334 HydrophobicContact CD1-CB 4.17Å; F285-L334 HydrophobicContact CD1-CD1 4.08Å; F285-L334 HydrophobicContact CE1-CD1 3.99Å |
| 286 | Q | 95.1 | Very high | 84.6 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.5 | -179.5 | 177.9 | -176 | 39.3 | 0 | 0 | 108.2 | L264 K265 L288 T329 Y331 | L264-Q286 WeakPolarHBondContact CA-O 3.32Å; K265-Q286 PolarHBondContact N-O 3.11Å; K265-Q286 PolarHBondContact O-N 3.25Å; Q286-L288 HydrophobicContact CB-CD1 4.38Å; Q286-L288 HydrophobicContact CG-CD1 3.95Å; Q286-L288 HydrophobicContact CG-CG 4.31Å; Q286-T329 WeakPolarHBondContact CG-O 3.29Å; Q286-T329 PolarHBondContact NE2-O 2.97Å; Q286-Y331 HydrophobicContact CB-CD1 3.85Å; Q286-Y331 HydrophobicContact CB-CD2 4.23Å; Q286-Y331 HydrophobicContact CB-CE1 3.6Å; Q286-Y331 HydrophobicContact CB-CE2 4.01Å; Q286-Y331 HydrophobicContact CB-CG 4.17Å; Q286-Y331 HydrophobicContact CG-CE2 4.38Å; Q286-Y331 VanDerWaalsContact OE1-CZ 3.23Å; Q286-Y331 PolarHBondContact OE1-OH 3.21Å |
| 287 | L | 96.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129 | 173.5 | -179.2 | 63.8 | 0 | 0 | 0 | 109.6 | F255 W262 L264 F301 F322 T329 L355 L357 | F255-L287 HydrophobicContact CZ-CD1 4.47Å; W262-L287 HydrophobicContact CB-CD1 4.27Å; W262-L287 HydrophobicContact CE3-CD1 4.02Å; W262-L287 HydrophobicContact CE3-CD2 4.18Å; W262-L287 HydrophobicContact CE3-CG 3.99Å; W262-L287 HydrophobicContact CZ3-CD2 4.26Å; W262-L287 HydrophobicContact CZ3-CG 4.37Å; L264-L287 HydrophobicContact CD2-CB 3.89Å; L264-L287 HydrophobicContact CD2-CD1 3.65Å; L264-L287 HydrophobicContact CD2-CG 4.36Å; L264-L287 HydrophobicContact CG-CD1 3.84Å; L287-F301 HydrophobicContact CB-CE2 4.44Å; L287-F301 HydrophobicContact CB-CZ 4.37Å; L287-F301 HydrophobicContact CD2-CB 4.45Å; L287-F301 HydrophobicContact CD2-CD1 3.91Å; L287-F301 HydrophobicContact CD2-CD2 4.24Å; L287-F301 HydrophobicContact CD2-CE1 4.19Å; L287-F301 HydrophobicContact CD2-CG 3.94Å; L287-F301 HydrophobicContact CD2-CZ 4.47Å; L287-F322 HydrophobicContact CB-CZ 4.46Å; L287-F322 HydrophobicContact CD2-CE2 4.39Å; L287-F322 HydrophobicContact CD2-CZ 3.91Å; L287-F322 HydrophobicContact CG-CZ 4.08Å; L287-T329 HydrophobicContact CB-CG2 4.13Å; L287-T329 PolarHBondContact N-OG1 3.33Å; L287-T329 VanDerWaalsContact N-OG1 3.08Å; L287-T329 PolarHBondContact O-N 3.39Å; L287-T329 VanDerWaalsContact O-N 3.08Å; L287-L355 HydrophobicContact CD1-CD2 4.41Å; L287-L357 HydrophobicContact CD2-CD1 4.03Å |
| 288 | L | 95.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.6 | -178.5 | -59.9 | 89.9 | 0 | 0 | 0 | 110.3 | W262 V263 K265 Q286 N327 E328 | W262-L288 CarbonylContact C-O 3.6Å; W262-L288 VanDerWaalsContact CA-O 3.26Å; W262-L288 WeakPolarHBondContact CA-O 3.35Å; V263-L288 HydrophobicContact CB-CB 4.43Å; V263-L288 PolarHBondContact N-O 3.1Å; V263-L288 WeakPolarHBondContact O-CB 3.32Å; V263-L288 WeakPolarHBondContact O-CD1 3.49Å; V263-L288 PolarHBondContact O-N 3.44Å; K265-L288 HydrophobicContact CB-CD1 4.09Å; K265-L288 HydrophobicContact CD-CD1 3.95Å; K265-L288 HydrophobicContact CD-CD2 4.33Å; K265-L288 HydrophobicContact CG-CD1 3.81Å; Q286-L288 HydrophobicContact CB-CD1 4.38Å; Q286-L288 HydrophobicContact CG-CD1 3.95Å; Q286-L288 HydrophobicContact CG-CG 4.31Å; L288-N327 CarbonylContact C-O 3.52Å; L288-N327 WeakPolarHBondContact CA-O 3.13Å; L288-E328 HydrophobicContact CD2-CB 4.15Å; L288-E328 HydrophobicContact CG-CB 3.9Å |
| 289 | L | 95.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.5 | 169.7 | -179.3 | 61.6 | 0 | 0 | 0 | 109.6 | Q260 W262 S291 V293 L297 F322 N327 | Q260-L289 HydrophobicContact CB-CD1 3.81Å; Q260-L289 HydrophobicContact CG-CD1 4.34Å; W262-L289 HydrophobicContact CD2-CD1 4.08Å; W262-L289 HydrophobicContact CE3-CB 4Å; W262-L289 HydrophobicContact CE3-CD1 3.92Å; W262-L289 HydrophobicContact CH2-CB 4.44Å; W262-L289 HydrophobicContact CH2-CD1 3.78Å; W262-L289 HydrophobicContact CH2-CD2 4.49Å; W262-L289 HydrophobicContact CH2-CG 4.47Å; W262-L289 HydrophobicContact CZ2-CD1 3.92Å; W262-L289 HydrophobicContact CZ3-CB 3.75Å; W262-L289 HydrophobicContact CZ3-CD1 3.78Å; W262-L289 HydrophobicContact CZ3-CG 4.23Å; L289-S291 WeakPolarHBondContact CD1-OG 3.46Å; L289-V293 HydrophobicContact CD2-CG1 3.61Å; L289-L297 HydrophobicContact CD2-CD1 4.25Å; L289-F322 HydrophobicContact CB-CD1 3.79Å; L289-F322 HydrophobicContact CB-CE1 4.32Å; L289-F322 HydrophobicContact CB-CG 4.35Å; L289-F322 HydrophobicContact CD2-CB 3.62Å; L289-F322 HydrophobicContact CD2-CD1 4.34Å; L289-F322 HydrophobicContact CD2-CG 4.15Å; L289-N327 HydrophobicContact CB-CB 4.38Å; L289-N327 PolarHBondContact N-O 3.22Å |
| 290 | K | 94.7 | Very high | 90.8 | Very high | 95 Ų | 95 | 46 Ų | 46 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | trans | -104.7 | -22.4 | -179 | -66.1 | -56.5 | -175.2 | -168.8 | 0 | 113.8 | T261 V263 | T261-K290 HydrophobicContact CG2-CB 4.25Å; T261-K290 PolarHBondContact O-N 3.37Å; V263-K290 HydrophobicContact CB-CG 4.42Å; V263-K290 HydrophobicContact CG2-CG 3.76Å | ||
| 291 | S | 92.4 | Very high | 91.8 | Very high | 31 Ų | 31 | 38.4 Ų | 38.4 | 22% | 0.217 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -78.9 | 152.8 | 172.8 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | Q260 T261 L289 | Q260-S291 WeakPolarHBondContact CA-OG 3.15Å; Q260-S291 PolarHBondContact OE1-OG 3.35Å; T261-S291 PolarHBondContact N-OG 3.32Å; T261-S291 PolarHBondContact O-N 3.28Å; L289-S291 WeakPolarHBondContact CD1-OG 3.46Å |
| 292 | K | 91 | Very high | 92.4 | Very high | 191 Ų | 191 | 38.5 Ų | 38.5 | 83% | 0.83 | 22% | 0.215 | S | C | * | . | trans | -77.7 | 142.5 | 170.6 | -67.9 | -172 | 177.6 | -174.8 | 0 | 109.8 | ||||
| 293 | V | 90.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 20% | 0.196 | C | C | . | . | trans | -110.7 | 143.5 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | L289 A295 L297 N324 | L289-V293 HydrophobicContact CD2-CG1 3.61Å; V293-A295 WeakPolarHBondContact CB-O 3.38Å; V293-L297 HydrophobicContact CB-CD1 4.46Å; V293-L297 HydrophobicContact CB-CG 4.45Å; V293-L297 HydrophobicContact CG1-CD1 3.38Å; V293-L297 HydrophobicContact CG1-CG 3.84Å; V293-N324 WeakPolarHBondContact CG2-OD1 3.44Å; V293-N324 PolarHBondContact N-OD1 3Å; V293-N324 PolarHBondContact O-ND2 3.38Å; V293-N324 PolarHBondContact O-OD1 2.98Å | ||
| 294 | T | 87.8 | Confident | 92.7 | Very high | 158 Ų | 158 | 37.3 Ų | 37.3 | 97% | 0.969 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -83 | -24.9 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 295 | A | 89.6 | Confident | 92.6 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -145.5 | 159.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V293 L297 | V293-A295 WeakPolarHBondContact CB-O 3.38Å; A295-L297 PolarHBondContact O-N 3.08Å |
| 296 | P | 90.8 | Very high | 91.9 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 60% | 0.604 | 23% | 0.226 | S | C | * | . | trans | -54.8 | 130.7 | 175.5 | -25 | 34.6 | 0 | 0 | 0 | 112 | V321 F322 T323 | P296-V321 HydrophobicContact CB-CG1 3.92Å; P296-F322 CarbonylContact C-O 3.45Å; P296-F322 WeakPolarHBondContact CA-O 3.39Å; P296-T323 HydrophobicContact CB-CG2 4.03Å; P296-T323 HydrophobicContact CG-CG2 4.21Å | ||
| 297 | L | 91.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 103.6 | 177.7 | -70.6 | 179.5 | 0 | 0 | 0 | 110 | Q260 L289 V293 A295 C299 V321 F322 | Q260-L297 HydrophobicContact CG-CD1 3.7Å; L289-L297 HydrophobicContact CD2-CD1 4.25Å; V293-L297 HydrophobicContact CB-CD1 4.46Å; V293-L297 HydrophobicContact CB-CG 4.45Å; V293-L297 HydrophobicContact CG1-CD1 3.38Å; V293-L297 HydrophobicContact CG1-CG 3.84Å; A295-L297 PolarHBondContact O-N 3.08Å; L297-C299 PolarHBondContact O-N 3.41Å; L297-V321 CarbonylContact O-C 3.57Å; L297-V321 WeakPolarHBondContact O-CA 3.25Å; L297-F322 HydrophobicContact CB-CB 4.27Å; L297-F322 PolarHBondContact N-O 3.5Å; L297-F322 PolarHBondContact O-N 2.85Å |
| 298 | E | 93.9 | Very high | 89 | Confident | 48 Ų | 48 | 54 Ų | 54 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.1 | 172.1 | -171 | 171 | 170.7 | 0 | 0 | 109.4 | H319 V321 I360 K362 | E298-H319 WeakPolarHBondContact CG-CE1 3.49Å; E298-H319 IonicContact OE1-CE1 3.21Å; E298-H319 PolarHBondContact OE1-CE1 3.46Å; E298-H319 IonicContact OE1-NE2 3Å; E298-V321 HydrophobicContact CB-CG2 4.31Å; E298-V321 HydrophobicContact CG-CG2 4.05Å; E298-I360 HydrophobicContact CB-CB 4.24Å; E298-I360 HydrophobicContact CG-CB 3.99Å; E298-I360 HydrophobicContact CG-CD1 3.94Å; E298-I360 HydrophobicContact CG-CG2 4.4Å; E298-I360 PolarHBondContact O-N 3.32Å; E298-K362 WeakPolarHBondContact OE2-CE 3.46Å |
| 299 | C | 93 | Very high | 87.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.4 | -173.7 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | L297 H319 F320 F322 F358 | L297-C299 PolarHBondContact O-N 3.41Å; C299-H319 WeakPolarHBondContact O-CA 3.21Å; C299-F320 PolarHBondContact N-O 2.89Å; C299-F320 PolarHBondContact O-N 3.38Å; C299-F320 VanDerWaalsContact O-O 3.14Å; C299-F322 HydrophobicContact CB-CD2 4.15Å; C299-F322 HydrophobicContact CB-CE2 3.99Å; C299-F358 CarbonylContact C-O 3.51Å; C299-F358 VanDerWaalsContact CA-O 3.25Å; C299-F358 WeakPolarHBondContact CA-O 3.39Å |
| 300 | S | 94 | Very high | 86.5 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.8 | 160.7 | -55.9 | 0 | 0 | 0 | 0 | 109.5 | Y318 H319 F358 I360 | S300-Y318 CarbonylContact C-O 3.31Å; S300-Y318 WeakPolarHBondContact CA-O 3.48Å; S300-H319 PolarHBondContact OG-ND1 3.38Å; S300-F358 PolarHBondContact N-O 3.35Å; S300-F358 WeakPolarHBondContact O-CB 3.27Å; S300-F358 WeakPolarHBondContact O-CD2 3.24Å; S300-F358 PolarHBondContact O-N 2.93Å; S300-I360 WeakPolarHBondContact OG-CD1 3.33Å |
| 301 | F | 93.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154 | -179.6 | 63.3 | -87.2 | 0 | 0 | 0 | 112.2 | F285 L287 Y318 F320 T329 L355 F356 L357 | F285-F301 HydrophobicContact CE2-CD2 4.26Å; F285-F301 AromaticContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CE2-CE2 3.7Å; F285-F301 HydrophobicContact CZ-CE2 4.03Å; L287-F301 HydrophobicContact CB-CE2 4.44Å; L287-F301 HydrophobicContact CB-CZ 4.37Å; L287-F301 HydrophobicContact CD2-CB 4.45Å; L287-F301 HydrophobicContact CD2-CD1 3.91Å; L287-F301 HydrophobicContact CD2-CD2 4.24Å; L287-F301 HydrophobicContact CD2-CE1 4.19Å; L287-F301 HydrophobicContact CD2-CG 3.94Å; L287-F301 HydrophobicContact CD2-CZ 4.47Å; F301-Y318 HydrophobicContact CD2-CD2 4.3Å; F301-Y318 AromaticContact CE2-CD2 3.86Å; F301-Y318 HydrophobicContact CE2-CD2 3.86Å; F301-Y318 AromaticContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CZ-CD2 4.47Å; F301-Y318 HydrophobicContact CZ-CG 4.12Å; F301-Y318 PolarHBondContact N-O 3.46Å; F301-Y318 PolarHBondContact O-N 2.83Å; F301-F320 HydrophobicContact CE1-CB 4.23Å; F301-T329 HydrophobicContact CE1-CG2 4.07Å; F301-T329 HydrophobicContact CZ-CG2 3.99Å; F301-L355 HydrophobicContact CB-CD1 4.39Å; F301-F356 WeakPolarHBondContact CA-O 3.45Å; F301-F356 WeakPolarHBondContact CB-O 3.29Å; F301-L357 HydrophobicContact CB-CD1 3.91Å; F301-L357 HydrophobicContact CB-CG 4.17Å |
| 302 | L | 92.6 | Very high | 85.5 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.8 | 171.7 | 60.3 | 148.1 | 0 | 0 | 0 | 110.6 | L304 V316 F356 F358 | L302-L304 HydrophobicContact CD1-CD1 3.74Å; L302-L304 HydrophobicContact CD1-CD2 3.84Å; L302-L304 HydrophobicContact CD1-CG 3.72Å; L302-V316 VanDerWaalsContact CB-O 3.28Å; L302-V316 WeakPolarHBondContact CB-O 3.27Å; L302-F356 HydrophobicContact CD2-CB 3.86Å; L302-F356 HydrophobicContact CG-CB 4.02Å; L302-F356 HydrophobicContact CG-CD2 4.49Å; L302-F356 PolarHBondContact N-O 3.35Å; L302-F356 PolarHBondContact O-N 3.39Å; L302-F358 HydrophobicContact CD2-CD2 4.22Å; L302-F358 HydrophobicContact CD2-CE2 3.45Å; L302-F358 VanDerWaalsContact CD2-CE2 3.45Å; L302-F358 HydrophobicContact CD2-CZ 4.32Å |
| 303 | L | 92.5 | Very high | 85.3 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.8 | 178.2 | -160.8 | 64.6 | 0 | 0 | 0 | 109 | V234 F236 L264 F285 L334 L353 R354 L355 | V234-L303 HydrophobicContact CG2-CD1 3.95Å; F236-L303 HydrophobicContact CE2-CD2 4.23Å; F236-L303 HydrophobicContact CZ-CD2 4.27Å; L264-L303 HydrophobicContact CD1-CD1 4.23Å; F285-L303 HydrophobicContact CD1-CD2 4.31Å; F285-L303 HydrophobicContact CD2-CD2 4.17Å; F285-L303 HydrophobicContact CE1-CB 4.48Å; F285-L303 HydrophobicContact CE1-CD2 4.41Å; F285-L303 HydrophobicContact CE2-CB 4.41Å; F285-L303 HydrophobicContact CE2-CD2 4.24Å; F285-L303 HydrophobicContact CG-CD2 4.19Å; F285-L303 HydrophobicContact CZ-CB 4.08Å; F285-L303 HydrophobicContact CZ-CD2 4.37Å; L303-L334 HydrophobicContact CB-CD1 4.1Å; L303-L334 HydrophobicContact CD2-CD1 3.83Å; L303-L334 HydrophobicContact CG-CD1 4.23Å; L303-L353 HydrophobicContact CD1-CB 3.78Å; L303-L353 HydrophobicContact CD1-CD1 4.44Å; L303-L353 HydrophobicContact CD2-CB 4.32Å; L303-L353 HydrophobicContact CD2-CD1 3.43Å; L303-L353 VanDerWaalsContact CD2-CD1 3.43Å; L303-L353 HydrophobicContact CD2-CG 4.48Å; L303-L353 HydrophobicContact CG-CB 3.89Å; L303-L353 HydrophobicContact CG-CD1 3.81Å; L303-L353 HydrophobicContact CG-CG 4.41Å; L303-R354 WeakPolarHBondContact CA-O 3.49Å; L303-L355 HydrophobicContact CD1-CB 4.05Å; L303-L355 HydrophobicContact CD1-CD1 4.16Å |
| 304 | L | 90.5 | Very high | 85.1 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 167.9 | -177.2 | -62.5 | -178.2 | 0 | 0 | 0 | 111 | L302 P315 L353 R354 F356 | L302-L304 HydrophobicContact CD1-CD1 3.74Å; L302-L304 HydrophobicContact CD1-CD2 3.84Å; L302-L304 HydrophobicContact CD1-CG 3.72Å; L304-P315 HydrophobicContact CD2-CB 3.97Å; L304-L353 CarbonylContact O-C 3.52Å; L304-L353 WeakPolarHBondContact O-CA 3.41Å; L304-L353 WeakPolarHBondContact O-CB 3.38Å; L304-L353 WeakPolarHBondContact O-CD2 3.49Å; L304-R354 HydrophobicContact CB-CB 4.27Å; L304-R354 PolarHBondContact N-O 2.65Å; L304-R354 PolarHBondContact O-N 3.43Å; L304-F356 HydrophobicContact CD1-CD2 4.11Å; L304-F356 HydrophobicContact CD1-CE2 3.84Å |
| 305 | K | 88.4 | Confident | 85 | Confident | 98 Ų | 98 | 51.2 Ų | 51.2 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 144.1 | 175.3 | 70.9 | 173.5 | -162.4 | 150.4 | 0 | 112.1 | D309 V311 I313 R354 | K305-D309 PolarHBondContact NZ-O 3.44Å; K305-V311 VanDerWaalsContact CD-O 3.29Å; K305-V311 WeakPolarHBondContact CD-O 3.12Å; K305-I313 HydrophobicContact CB-CD1 4.33Å; K305-R354 WeakPolarHBondContact O-CD 3.23Å |
| 306 | G | 81.1 | Confident | 85 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 168.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N352 | G306-N352 WeakPolarHBondContact CA-O 3.43Å; G306-N352 PolarHBondContact N-O 2.94Å |
| 307 | P | 65.5 | Low | 85 | Confident | 32 Ų | 32 | 49 Ų | 49 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 140.7 | 168.3 | 29.1 | -32.5 | 0 | 0 | 0 | 109.4 | E233 D309 | E233-P307 VanDerWaalsContact OE1-CD 3.26Å; E233-P307 WeakPolarHBondContact OE1-CD 3.33Å; E233-P307 VanDerWaalsContact OE1-CG 3.31Å; E233-P307 WeakPolarHBondContact OE1-CG 3.2Å; E233-P307 WeakPolarHBondContact OE2-CG 3.36Å; P307-D309 PolarHBondContact O-N 3.47Å |
| 308 | Y | 64.4 | Low | 85.1 | Confident | 234 Ų | 234 | 50 Ų | 50 | 92% | 0.918 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 8.1 | 178 | -41.2 | -74.6 | 0 | 0 | 0 | 116.3 | ||
| 309 | D | 67.8 | Low | 85 | Confident | 38 Ų | 38 | 52.5 Ų | 52.5 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -95.3 | 132.9 | 172.5 | -147.6 | -11.4 | 0 | 0 | 0 | 111 | K305 P307 V311 L345 | K305-D309 PolarHBondContact NZ-O 3.44Å; P307-D309 PolarHBondContact O-N 3.47Å; D309-V311 VanDerWaalsContact OD1-CG2 3.3Å; D309-V311 WeakPolarHBondContact OD1-CG2 3.37Å; D309-L345 WeakPolarHBondContact OD2-CD2 3.45Å | ||
| 310 | D | 71 | Confident | 85.1 | Confident | 130 Ų | 130 | 54.5 Ų | 54.5 | 70% | 0.695 | 26% | 0.262 | S | S | * | . | trans | -90 | 8.1 | 178.2 | -85.9 | -20.3 | 0 | 0 | 0 | 112.3 | K344 | D310-K344 PolarHBondContact O-NZ 3.48Š| ||
| 311 | V | 83.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -73.1 | 132.3 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | K305 D309 I313 E341 K344 L345 | K305-V311 VanDerWaalsContact CD-O 3.29Å; K305-V311 WeakPolarHBondContact CD-O 3.12Å; D309-V311 VanDerWaalsContact OD1-CG2 3.3Å; D309-V311 WeakPolarHBondContact OD1-CG2 3.37Å; V311-I313 HydrophobicContact CG1-CD1 4.39Å; V311-I313 HydrophobicContact CG1-CG1 3.96Å; V311-E341 WeakPolarHBondContact CA-OE2 3.43Å; V311-E341 HydrophobicContact CG1-CB 4.14Å; V311-K344 HydrophobicContact CG2-CB 3.63Å; V311-K344 HydrophobicContact CG2-CD 4.17Å; V311-L345 HydrophobicContact CB-CD2 3.93Å; V311-L345 HydrophobicContact CB-CG 4.32Å; V311-L345 HydrophobicContact CG1-CD1 4.13Å; V311-L345 HydrophobicContact CG1-CD2 3.97Å; V311-L345 HydrophobicContact CG1-CG 3.89Å; V311-L345 HydrophobicContact CG2-CD2 3.47Å; V311-L345 VanDerWaalsContact CG2-CD2 3.47Å; V311-L345 HydrophobicContact CG2-CG 3.8Å | ||
| 312 | R | 82.3 | Confident | 85.2 | Confident | 140 Ų | 140 | 56.9 Ų | 56.9 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | trans | -93.8 | 116.2 | 174.7 | -62.9 | -176.4 | -70.9 | 173.6 | 2.7 | 110.8 | I337 E341 | R312-I337 HydrophobicContact CB-CD1 3.47Å; R312-I337 VanDerWaalsContact CB-CD1 3.47Å; R312-I337 HydrophobicContact CB-CG1 4.2Å; R312-I337 HydrophobicContact CG-CD1 4.47Å; R312-E341 HydrophobicContact CB-CG 4.44Å; R312-E341 IonicContact CZ-OE1 3.48Å; R312-E341 PolarHBondContact N-OE2 2.95Å; R312-E341 IonicContact NE-OE1 3.58Å; R312-E341 PolarHBondContact NE-OE1 2.95Å; R312-E341 IonicContact NH2-OE1 3.63Å; R312-E341 PolarHBondContact NH2-OE1 2.95Å | ||
| 313 | I | 86.7 | Confident | 85.2 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -122.3 | 128.3 | 178.1 | -57.7 | 174.7 | 0 | 0 | 0 | 107.5 | K305 V311 L334 P335 L353 | K305-I313 HydrophobicContact CB-CD1 4.33Å; V311-I313 HydrophobicContact CG1-CD1 4.39Å; V311-I313 HydrophobicContact CG1-CG1 3.96Å; I313-L334 HydrophobicContact CD1-CD2 4.13Å; I313-L334 HydrophobicContact CG2-CD1 4.25Å; I313-L334 HydrophobicContact CG2-CG 4.39Å; I313-P335 HydrophobicContact CG2-CG 4.12Å; I313-L353 HydrophobicContact CD1-CD2 3.51Å |
| 314 | S | 86.2 | Confident | 85.1 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | trans | -78.8 | 134.8 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | V316 P335 | S314-V316 PolarHBondContact O-N 3.27Å; S314-P335 PolarHBondContact N-O 2.74Å; S314-P335 WeakPolarHBondContact O-CG 3.49Å | ||
| 315 | P | 86.7 | Confident | 85 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | trans | -66.2 | 126.6 | 177.6 | 20.5 | -25.3 | 0 | 0 | 0 | 110.8 | L216 I220 L304 | L216-P315 HydrophobicContact CD2-CB 4.46Å; L216-P315 HydrophobicContact CD2-CG 3.94Å; L216-P315 WeakPolarHBondContact CD2-O 3.43Å; I220-P315 HydrophobicContact CD1-CB 4.27Å; L304-P315 HydrophobicContact CD2-CB 3.97Å | ||
| 316 | V | 89.6 | Confident | 85.2 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | trans | -131.8 | 130.6 | 170.9 | 175.9 | 0 | 0 | 0 | 0 | 108.2 | L302 S314 Y318 P335 | L302-V316 VanDerWaalsContact CB-O 3.28Å; L302-V316 WeakPolarHBondContact CB-O 3.27Å; S314-V316 PolarHBondContact O-N 3.27Å; V316-Y318 HydrophobicContact CB-CE2 4.16Å; V316-Y318 HydrophobicContact CG1-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD2 4.5Å; V316-Y318 HydrophobicContact CG1-CE1 3.88Å; V316-Y318 HydrophobicContact CG1-CE2 3.95Å; V316-P335 HydrophobicContact CB-CG 4.1Å; V316-P335 HydrophobicContact CG2-CB 3.8Å; V316-P335 HydrophobicContact CG2-CG 3.67Å | ||
| 317 | I | 90.9 | Very high | 85.7 | Confident | 47 Ų | 47 | 68 Ų | 68 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | trans | -90.6 | 123.3 | 177.4 | -59.1 | 165.4 | 0 | 0 | 0 | 108 | L216 I220 L223 | L216-I317 HydrophobicContact CD1-CD1 4.29Å; L216-I317 HydrophobicContact CD1-CG1 4.48Å; I220-I317 HydrophobicContact CG1-CD1 3.84Å; I220-I317 HydrophobicContact CG1-CG1 4.3Å; L223-I317 HydrophobicContact CD1-CD1 3.72Å; L223-I317 HydrophobicContact CD1-CG1 4.04Å; L223-I317 HydrophobicContact CD1-CG2 3.76Å | ||
| 318 | Y | 92.5 | Very high | 87.1 | Confident | 38 Ų | 38 | 71 Ų | 71 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.3 | 170.9 | -63.1 | -72.8 | 0 | 0 | 0 | 109.8 | F285 S300 F301 V316 V332 P333 | F285-Y318 AromaticContact CE1-CE2 3.88Å; F285-Y318 HydrophobicContact CE1-CE2 3.88Å; F285-Y318 AromaticContact CZ-CD2 3.87Å; F285-Y318 HydrophobicContact CZ-CD2 3.87Å; F285-Y318 AromaticContact CZ-CE2 3.67Å; F285-Y318 HydrophobicContact CZ-CE2 3.67Å; S300-Y318 CarbonylContact C-O 3.31Å; S300-Y318 WeakPolarHBondContact CA-O 3.48Å; F301-Y318 HydrophobicContact CD2-CD2 4.3Å; F301-Y318 AromaticContact CE2-CD2 3.86Å; F301-Y318 HydrophobicContact CE2-CD2 3.86Å; F301-Y318 AromaticContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CE2-CG 3.96Å; F301-Y318 HydrophobicContact CZ-CD2 4.47Å; F301-Y318 HydrophobicContact CZ-CG 4.12Å; F301-Y318 PolarHBondContact N-O 3.46Å; F301-Y318 PolarHBondContact O-N 2.83Å; V316-Y318 HydrophobicContact CB-CE2 4.16Å; V316-Y318 HydrophobicContact CG1-CD1 4.47Å; V316-Y318 HydrophobicContact CG1-CD2 4.5Å; V316-Y318 HydrophobicContact CG1-CE1 3.88Å; V316-Y318 HydrophobicContact CG1-CE2 3.95Å; Y318-V332 HydrophobicContact CD1-CB 4.16Å; Y318-V332 HydrophobicContact CD1-CG1 4.05Å; Y318-V332 HydrophobicContact CD1-CG2 4.05Å; Y318-V332 HydrophobicContact CD2-CG2 4.27Å; Y318-V332 HydrophobicContact CE1-CB 3.65Å; Y318-V332 HydrophobicContact CE1-CG1 3.92Å; Y318-V332 HydrophobicContact CE1-CG2 3.8Å; Y318-V332 HydrophobicContact CE2-CG2 4Å; Y318-V332 HydrophobicContact CG-CG2 4.28Å; Y318-P333 PolarHBondContact OH-O 3.47Å |
| 319 | H | 93.3 | Very high | 88.5 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.7 | 179.7 | -179.9 | 86.8 | 0 | 0 | 0 | 109.7 | E298 C299 S300 I360 | E298-H319 WeakPolarHBondContact CG-CE1 3.49Å; E298-H319 IonicContact OE1-CE1 3.21Å; E298-H319 PolarHBondContact OE1-CE1 3.46Å; E298-H319 IonicContact OE1-NE2 3Å; C299-H319 WeakPolarHBondContact O-CA 3.21Å; S300-H319 PolarHBondContact OG-ND1 3.38Å; H319-I360 VanDerWaalsContact CE1-CD1 3.47Å; H319-I360 WeakPolarHBondContact CE1-CD1 3.31Å |
| 320 | F | 95 | Very high | 89.7 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146.8 | 179.4 | -166.4 | -101.2 | 0 | 0 | 0 | 112 | C299 F301 F322 S326 E328 T329 | C299-F320 PolarHBondContact N-O 2.89Å; C299-F320 PolarHBondContact O-N 3.38Å; C299-F320 VanDerWaalsContact O-O 3.14Å; F301-F320 HydrophobicContact CE1-CB 4.23Å; F320-F322 HydrophobicContact CB-CE2 4.14Å; F320-F322 HydrophobicContact CB-CZ 4.36Å; F320-F322 AromaticContact CD1-CD1 3.67Å; F320-F322 HydrophobicContact CD1-CD1 3.67Å; F320-F322 AromaticContact CD1-CD2 3.79Å; F320-F322 HydrophobicContact CD1-CD2 3.79Å; F320-F322 AromaticContact CD1-CE1 3.59Å; F320-F322 HydrophobicContact CD1-CE1 3.59Å; F320-F322 AromaticContact CD1-CE2 3.7Å; F320-F322 HydrophobicContact CD1-CE2 3.7Å; F320-F322 AromaticContact CD1-CG 3.77Å; F320-F322 HydrophobicContact CD1-CG 3.77Å; F320-F322 AromaticContact CD1-CZ 3.59Å; F320-F322 HydrophobicContact CD1-CZ 3.59Å; F320-F322 AromaticContact CE1-CD1 3.72Å; F320-F322 HydrophobicContact CE1-CD1 3.72Å; F320-F322 AromaticContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CG 4.1Å; F320-F322 HydrophobicContact CE1-CZ 4.32Å; F320-F322 HydrophobicContact CG-CE2 4.4Å; F320-F322 HydrophobicContact CG-CZ 4.34Å; F320-S326 VanDerWaalsContact CZ-OG 3.31Å; F320-S326 WeakPolarHBondContact CZ-OG 3.37Å; F320-E328 VanDerWaalsContact CZ-O 3.26Å; F320-E328 WeakPolarHBondContact CZ-O 3.43Å; F320-T329 HydrophobicContact CB-CG2 4Å; F320-T329 HydrophobicContact CD1-CG2 3.88Å; F320-T329 HydrophobicContact CD2-CG2 4.08Å; F320-T329 HydrophobicContact CE1-CG2 4.34Å; F320-T329 HydrophobicContact CG-CG2 3.72Å |
| 321 | V | 94.8 | Very high | 90.6 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 106.8 | 176.2 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | P296 L297 E298 | P296-V321 HydrophobicContact CB-CG1 3.92Å; L297-V321 CarbonylContact O-C 3.57Å; L297-V321 WeakPolarHBondContact O-CA 3.25Å; E298-V321 HydrophobicContact CB-CG2 4.31Å; E298-V321 HydrophobicContact CG-CG2 4.05Å |
| 322 | F | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.9 | 179 | -63.2 | -89.1 | 0 | 0 | 0 | 111.2 | W262 L287 L289 P296 L297 C299 F320 S326 T329 | W262-F322 AromaticContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CD2 3.95Å; W262-F322 HydrophobicContact CH2-CE2 4.03Å; W262-F322 HydrophobicContact CH2-CG 4.35Å; W262-F322 HydrophobicContact CZ3-CD1 4.14Å; W262-F322 AromaticContact CZ3-CD2 3.92Å; W262-F322 HydrophobicContact CZ3-CD2 3.92Å; W262-F322 AromaticContact CZ3-CE1 3.94Å; W262-F322 HydrophobicContact CZ3-CE1 3.94Å; W262-F322 AromaticContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CE2 3.71Å; W262-F322 HydrophobicContact CZ3-CG 4.13Å; W262-F322 AromaticContact CZ3-CZ 3.73Å; W262-F322 HydrophobicContact CZ3-CZ 3.73Å; L287-F322 HydrophobicContact CB-CZ 4.46Å; L287-F322 HydrophobicContact CD2-CE2 4.39Å; L287-F322 HydrophobicContact CD2-CZ 3.91Å; L287-F322 HydrophobicContact CG-CZ 4.08Å; L289-F322 HydrophobicContact CB-CD1 3.79Å; L289-F322 HydrophobicContact CB-CE1 4.32Å; L289-F322 HydrophobicContact CB-CG 4.35Å; L289-F322 HydrophobicContact CD2-CB 3.62Å; L289-F322 HydrophobicContact CD2-CD1 4.34Å; L289-F322 HydrophobicContact CD2-CG 4.15Å; P296-F322 CarbonylContact C-O 3.45Å; P296-F322 WeakPolarHBondContact CA-O 3.39Å; L297-F322 HydrophobicContact CB-CB 4.27Å; L297-F322 PolarHBondContact N-O 3.5Å; L297-F322 PolarHBondContact O-N 2.85Å; C299-F322 HydrophobicContact CB-CD2 4.15Å; C299-F322 HydrophobicContact CB-CE2 3.99Å; F320-F322 HydrophobicContact CB-CE2 4.14Å; F320-F322 HydrophobicContact CB-CZ 4.36Å; F320-F322 AromaticContact CD1-CD1 3.67Å; F320-F322 HydrophobicContact CD1-CD1 3.67Å; F320-F322 AromaticContact CD1-CD2 3.79Å; F320-F322 HydrophobicContact CD1-CD2 3.79Å; F320-F322 AromaticContact CD1-CE1 3.59Å; F320-F322 HydrophobicContact CD1-CE1 3.59Å; F320-F322 AromaticContact CD1-CE2 3.7Å; F320-F322 HydrophobicContact CD1-CE2 3.7Å; F320-F322 AromaticContact CD1-CG 3.77Å; F320-F322 HydrophobicContact CD1-CG 3.77Å; F320-F322 AromaticContact CD1-CZ 3.59Å; F320-F322 HydrophobicContact CD1-CZ 3.59Å; F320-F322 AromaticContact CE1-CD1 3.72Å; F320-F322 HydrophobicContact CE1-CD1 3.72Å; F320-F322 AromaticContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CE1 3.84Å; F320-F322 HydrophobicContact CE1-CG 4.1Å; F320-F322 HydrophobicContact CE1-CZ 4.32Å; F320-F322 HydrophobicContact CG-CE2 4.4Å; F320-F322 HydrophobicContact CG-CZ 4.34Å; F322-S326 WeakPolarHBondContact CA-O 3.34Å; F322-T329 HydrophobicContact CE1-CG2 4Å; F322-T329 HydrophobicContact CZ-CG2 3.7Å |
| 323 | T | 92.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 20% | 0.202 | 32% | 0.322 | C | S | . | . | trans | -130.3 | 175.8 | 175.2 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | P296 E325 S326 | P296-T323 HydrophobicContact CB-CG2 4.03Å; P296-T323 HydrophobicContact CG-CG2 4.21Å; T323-E325 PolarHBondContact O-N 3.19Å; T323-S326 PolarHBondContact N-O 3.49Å; T323-S326 CarbonylContact O-C 3.44Å; T323-S326 VanDerWaalsContact O-C 3.31Å; T323-S326 VanDerWaalsContact O-O 3.11Å; T323-S326 WeakPolarHBondContact OG1-CB 3.32Å; T323-S326 PolarHBondContact OG1-N 2.94Å | ||
| 324 | N | 90.1 | Very high | 91.5 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.1 | -23.3 | 176.1 | -69.9 | -44.2 | 0 | 0 | 0 | 111.7 | V293 | V293-N324 WeakPolarHBondContact CG2-OD1 3.44Å; V293-N324 PolarHBondContact N-OD1 3Å; V293-N324 PolarHBondContact O-ND2 3.38Å; V293-N324 PolarHBondContact O-OD1 2.98Å |
| 325 | E | 89.1 | Confident | 91.5 | Very high | 163 Ų | 163 | 58.3 Ų | 58.3 | 76% | 0.762 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -86.7 | -32.1 | 176.4 | -57.8 | 71.6 | -154.9 | 0 | 0 | 111.9 | T323 | T323-E325 PolarHBondContact O-N 3.19Š|
| 326 | S | 91.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | trans | -123.9 | 87.1 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.1 | F320 F322 T323 | F320-S326 VanDerWaalsContact CZ-OG 3.31Å; F320-S326 WeakPolarHBondContact CZ-OG 3.37Å; F322-S326 WeakPolarHBondContact CA-O 3.34Å; T323-S326 PolarHBondContact N-O 3.49Å; T323-S326 CarbonylContact O-C 3.44Å; T323-S326 VanDerWaalsContact O-C 3.31Å; T323-S326 VanDerWaalsContact O-O 3.11Å; T323-S326 WeakPolarHBondContact OG1-CB 3.32Å; T323-S326 PolarHBondContact OG1-N 2.94Å | ||
| 327 | N | 92.8 | Very high | 91 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -103.2 | 3.9 | -175.8 | 67.9 | -8.1 | 0 | 0 | 0 | 113.5 | L288 L289 | L288-N327 CarbonylContact C-O 3.52Å; L288-N327 WeakPolarHBondContact CA-O 3.13Å; L289-N327 HydrophobicContact CB-CB 4.38Å; L289-N327 PolarHBondContact N-O 3.22Å | ||
| 328 | E | 93.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -138 | 140.2 | -178.6 | 65.3 | -178.9 | -160.2 | 0 | 0 | 111 | L288 F320 | L288-E328 HydrophobicContact CD2-CB 4.15Å; L288-E328 HydrophobicContact CG-CB 3.9Å; F320-E328 VanDerWaalsContact CZ-O 3.26Å; F320-E328 WeakPolarHBondContact CZ-O 3.43Å |
| 329 | T | 94.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 169.8 | 175.6 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | Q286 L287 F301 F320 F322 | Q286-T329 WeakPolarHBondContact CG-O 3.29Å; Q286-T329 PolarHBondContact NE2-O 2.97Å; L287-T329 HydrophobicContact CB-CG2 4.13Å; L287-T329 PolarHBondContact N-OG1 3.33Å; L287-T329 VanDerWaalsContact N-OG1 3.08Å; L287-T329 PolarHBondContact O-N 3.39Å; L287-T329 VanDerWaalsContact O-N 3.08Å; F301-T329 HydrophobicContact CE1-CG2 4.07Å; F301-T329 HydrophobicContact CZ-CG2 3.99Å; F320-T329 HydrophobicContact CB-CG2 4Å; F320-T329 HydrophobicContact CD1-CG2 3.88Å; F320-T329 HydrophobicContact CD2-CG2 4.08Å; F320-T329 HydrophobicContact CE1-CG2 4.34Å; F320-T329 HydrophobicContact CG-CG2 3.72Å; F322-T329 HydrophobicContact CE1-CG2 4Å; F322-T329 HydrophobicContact CZ-CG2 3.7Å |
| 330 | D | 92.5 | Very high | 89.5 | Confident | 134 Ų | 134 | 59 Ų | 59 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 163.8 | 159.6 | -68.4 | -46.9 | 0 | 0 | 0 | 110.7 | V332 | D330-V332 PolarHBondContact O-N 3.35Š|
| 331 | Y | 91.3 | Very high | 89 | Confident | 60 Ų | 60 | 57.3 Ų | 57.3 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 120.2 | 169.1 | -81 | -87.7 | 0 | 0 | 0 | 109.5 | R267 F285 Q286 | R267-Y331 HydrophobicContact CB-CE1 4.47Å; R267-Y331 HydrophobicContact CG-CD1 3.9Å; R267-Y331 HydrophobicContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact CG-CE1 3.44Å; R267-Y331 VanDerWaalsContact NE-CE2 3.26Å; R267-Y331 PolarHBondContact NE-OH 3.07Å; R267-Y331 VanDerWaalsContact NH2-CZ 3.35Å; R267-Y331 PolarHBondContact NH2-OH 3.23Å; F285-Y331 WeakPolarHBondContact O-CA 3.43Å; Q286-Y331 HydrophobicContact CB-CD1 3.85Å; Q286-Y331 HydrophobicContact CB-CD2 4.23Å; Q286-Y331 HydrophobicContact CB-CE1 3.6Å; Q286-Y331 HydrophobicContact CB-CE2 4.01Å; Q286-Y331 HydrophobicContact CB-CG 4.17Å; Q286-Y331 HydrophobicContact CG-CE2 4.38Å; Q286-Y331 VanDerWaalsContact OE1-CZ 3.23Å; Q286-Y331 PolarHBondContact OE1-OH 3.21Å |
| 332 | V | 91.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 144.9 | 177 | -65.7 | 0 | 0 | 0 | 0 | 110 | S284 F285 Y318 D330 L334 | S284-V332 CarbonylContact C-O 3.45Å; S284-V332 VanDerWaalsContact CA-O 3.23Å; S284-V332 WeakPolarHBondContact CA-O 3.43Å; S284-V332 WeakPolarHBondContact CB-O 3.31Å; F285-V332 HydrophobicContact CD1-CG2 4.13Å; F285-V332 HydrophobicContact CE1-CG2 3.74Å; F285-V332 HydrophobicContact CE2-CG2 4.25Å; F285-V332 HydrophobicContact CZ-CG2 3.81Å; F285-V332 PolarHBondContact N-O 2.94Å; F285-V332 WeakPolarHBondContact O-CG2 3.44Å; F285-V332 PolarHBondContact O-N 3.21Å; Y318-V332 HydrophobicContact CD1-CB 4.16Å; Y318-V332 HydrophobicContact CD1-CG1 4.05Å; Y318-V332 HydrophobicContact CD1-CG2 4.05Å; Y318-V332 HydrophobicContact CD2-CG2 4.27Å; Y318-V332 HydrophobicContact CE1-CB 3.65Å; Y318-V332 HydrophobicContact CE1-CG1 3.92Å; Y318-V332 HydrophobicContact CE1-CG2 3.8Å; Y318-V332 HydrophobicContact CE2-CG2 4Å; Y318-V332 HydrophobicContact CG-CG2 4.28Å; D330-V332 PolarHBondContact O-N 3.35Å; V332-L334 PolarHBondContact O-N 3.3Å |
| 333 | P | 89.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 54.9 Ų | 54.9 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 137.8 | 178.9 | 26.9 | -33.8 | 0 | 0 | 0 | 110.7 | Y318 P335 | Y318-P333 PolarHBondContact OH-O 3.47Å; P333-P335 VanDerWaalsContact O-CD 3.31Å; P333-P335 WeakPolarHBondContact O-CD 3.4Å |
| 334 | L | 89.3 | Confident | 88.1 | Confident | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | trans | -73.4 | 118.5 | 162.5 | -170.1 | 66.2 | 0 | 0 | 0 | 106.9 | L283 F285 L303 I313 V332 I336 L345 L353 | L283-L334 HydrophobicContact CB-CB 4.34Å; L283-L334 HydrophobicContact CD2-CD2 3.78Å; L283-L334 VanDerWaalsContact O-CB 3.29Å; L283-L334 WeakPolarHBondContact O-CB 3.29Å; L283-L334 PolarHBondContact O-N 2.84Å; F285-L334 HydrophobicContact CD1-CB 4.17Å; F285-L334 HydrophobicContact CD1-CD1 4.08Å; F285-L334 HydrophobicContact CE1-CD1 3.99Å; L303-L334 HydrophobicContact CB-CD1 4.1Å; L303-L334 HydrophobicContact CD2-CD1 3.83Å; L303-L334 HydrophobicContact CG-CD1 4.23Å; I313-L334 HydrophobicContact CD1-CD2 4.13Å; I313-L334 HydrophobicContact CG2-CD1 4.25Å; I313-L334 HydrophobicContact CG2-CG 4.39Å; V332-L334 PolarHBondContact O-N 3.3Å; L334-I336 HydrophobicContact CB-CD1 4.46Å; L334-I336 HydrophobicContact CB-CG1 4.27Å; L334-I336 HydrophobicContact CD2-CD1 4.1Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.46Å; L334-I336 HydrophobicContact CG-CG1 4.01Å; L334-I336 PolarHBondContact O-N 2.87Å; L334-L345 HydrophobicContact CD2-CD1 4.21Å; L334-L353 HydrophobicContact CD2-CD1 3.97Å | ||
| 335 | P | 85.6 | Confident | 88.1 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | trans | -73.3 | 66.4 | -175 | 32.8 | -41.6 | 0 | 0 | 0 | 112.2 | I313 S314 V316 P333 | I313-P335 HydrophobicContact CG2-CG 4.12Å; S314-P335 PolarHBondContact N-O 2.74Å; S314-P335 WeakPolarHBondContact O-CG 3.49Å; V316-P335 HydrophobicContact CB-CG 4.1Å; V316-P335 HydrophobicContact CG2-CB 3.8Å; V316-P335 HydrophobicContact CG2-CG 3.67Å; P333-P335 VanDerWaalsContact O-CD 3.31Å; P333-P335 WeakPolarHBondContact O-CD 3.4Å | ||
| 336 | I | 86.3 | Confident | 88 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 135.6 | 172.5 | -54.6 | 168.1 | 0 | 0 | 0 | 108 | L283 L334 D338 E341 C342 L345 | L283-I336 HydrophobicContact CB-CD1 3.97Å; L334-I336 HydrophobicContact CB-CD1 4.46Å; L334-I336 HydrophobicContact CB-CG1 4.27Å; L334-I336 HydrophobicContact CD2-CD1 4.1Å; L334-I336 HydrophobicContact CD2-CG1 4.02Å; L334-I336 HydrophobicContact CG-CD1 4.46Å; L334-I336 HydrophobicContact CG-CG1 4.01Å; L334-I336 PolarHBondContact O-N 2.87Å; I336-D338 WeakPolarHBondContact CG2-O 3.48Å; I336-D338 PolarHBondContact O-N 3.39Å; I336-E341 HydrophobicContact CG2-CB 3.47Å; I336-E341 VanDerWaalsContact CG2-CB 3.47Å; I336-C342 HydrophobicContact CD1-CB 3.99Å; I336-C342 HydrophobicContact CG2-CB 4.26Å; I336-L345 HydrophobicContact CD1-CD1 3.79Å; I336-L345 HydrophobicContact CG1-CD1 4.4Å |
| 337 | I | 80.9 | Confident | 87.8 | Confident | 94 Ų | 94 | 42.7 Ų | 42.7 | 48% | 0.482 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -63.9 | -42.4 | -173.2 | -59.8 | -178.2 | 0 | 0 | 0 | 112.1 | R312 | R312-I337 HydrophobicContact CB-CD1 3.47Å; R312-I337 VanDerWaalsContact CB-CD1 3.47Å; R312-I337 HydrophobicContact CB-CG1 4.2Å; R312-I337 HydrophobicContact CG-CD1 4.47Å |
| 338 | D | 81.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -150.8 | 173.3 | -177.7 | 66.6 | 36.7 | 0 | 0 | 0 | 112.4 | I336 V340 E341 C342 | I336-D338 WeakPolarHBondContact CG2-O 3.48Å; I336-D338 PolarHBondContact O-N 3.39Å; D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 3.13Å; D338-V340 WeakPolarHBondContact OD1-CA 3.43Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.47Å; D338-V340 PolarHBondContact OD1-N 3.31Å; D338-E341 PolarHBondContact O-N 2.98Å; D338-E341 VanDerWaalsContact OD1-CG 3.31Å; D338-E341 WeakPolarHBondContact OD1-CG 3.42Å; D338-E341 PolarHBondContact OD1-N 3.01Å; D338-C342 PolarHBondContact O-N 3.37Å |
| 339 | S | 81.4 | Confident | 86.9 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.5 | -19.6 | 178.3 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | R281 C342 N343 | R281-S339 PolarHBondContact N-OG 3.27Å; S339-C342 PolarHBondContact O-N 3.27Å; S339-N343 PolarHBondContact O-N 3.14Å; S339-N343 PolarHBondContact O-ND2 3.46Å; S339-N343 PolarHBondContact O-OD1 2.94Å |
| 340 | V | 81.8 | Confident | 86.7 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.3 | -45.3 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | D338 C342 N343 K344 | D338-V340 VanDerWaalsContact C-N 3.27Å; D338-V340 PolarHBondContact O-N 3.13Å; D338-V340 WeakPolarHBondContact OD1-CA 3.43Å; D338-V340 VanDerWaalsContact OD1-CB 3.31Å; D338-V340 WeakPolarHBondContact OD1-CB 3.47Å; D338-V340 PolarHBondContact OD1-N 3.31Å; V340-C342 VanDerWaalsContact C-N 3.29Å; V340-C342 PolarHBondContact O-N 2.91Å; V340-N343 WeakPolarHBondContact O-CB 3.24Å; V340-N343 PolarHBondContact O-N 3.43Å; V340-N343 VanDerWaalsContact O-N 3.17Å; V340-K344 PolarHBondContact O-N 3.13Å; V340-K344 VanDerWaalsContact O-N 3.12Å |
| 341 | E | 85.4 | Confident | 86.6 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 172.6 | -63.3 | -59.6 | 166.6 | 0 | 0 | 110.8 | V311 R312 I336 D338 N343 K344 L345 | V311-E341 WeakPolarHBondContact CA-OE2 3.43Å; V311-E341 HydrophobicContact CG1-CB 4.14Å; R312-E341 HydrophobicContact CB-CG 4.44Å; R312-E341 IonicContact CZ-OE1 3.48Å; R312-E341 PolarHBondContact N-OE2 2.95Å; R312-E341 IonicContact NE-OE1 3.58Å; R312-E341 PolarHBondContact NE-OE1 2.95Å; R312-E341 IonicContact NH2-OE1 3.63Å; R312-E341 PolarHBondContact NH2-OE1 2.95Å; I336-E341 HydrophobicContact CG2-CB 3.47Å; I336-E341 VanDerWaalsContact CG2-CB 3.47Å; D338-E341 PolarHBondContact O-N 2.98Å; D338-E341 VanDerWaalsContact OD1-CG 3.31Å; D338-E341 WeakPolarHBondContact OD1-CG 3.42Å; D338-E341 PolarHBondContact OD1-N 3.01Å; E341-N343 PolarHBondContact O-N 3.32Å; E341-K344 WeakPolarHBondContact O-CB 3.26Å; E341-K344 PolarHBondContact O-N 2.94Å; E341-K344 IonicContact OE1-NZ 2.79Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; E341-K344 VanDerWaalsContact OE1-NZ 3.1Å; E341-K344 WeakPolarHBondContact OE2-CD 3.46Å; E341-K344 WeakPolarHBondContact OE2-CE 3.46Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 2.88Å; E341-L345 PolarHBondContact O-N 3.36Å |
| 342 | C | 87.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | R281 I336 D338 S339 V340 K344 L345 L346 | R281-C342 HydrophobicContact CB-CB 4.21Å; I336-C342 HydrophobicContact CD1-CB 3.99Å; I336-C342 HydrophobicContact CG2-CB 4.26Å; D338-C342 PolarHBondContact O-N 3.37Å; S339-C342 PolarHBondContact O-N 3.27Å; V340-C342 VanDerWaalsContact C-N 3.29Å; V340-C342 PolarHBondContact O-N 2.91Å; C342-K344 VanDerWaalsContact C-N 3.27Å; C342-K344 PolarHBondContact O-N 2.88Å; C342-L345 WeakPolarHBondContact O-CB 3.42Å; C342-L345 PolarHBondContact O-N 3.06Å; C342-L345 VanDerWaalsContact O-N 3.17Å; C342-L346 WeakPolarHBondContact O-CG 3.27Å; C342-L346 PolarHBondContact O-N 3.35Å; C342-L346 VanDerWaalsContact O-N 3.08Å |
| 343 | N | 87.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -34.4 | 176.5 | -67.2 | -25.1 | 0 | 0 | 0 | 112.4 | I95 A99 R281 S339 V340 E341 L345 L346 A347 | I95-N343 VanDerWaalsContact CG2-C 3.42Å; I95-N343 HydrophobicContact CG2-CB 3.75Å; I95-N343 WeakPolarHBondContact CG2-O 3.44Å; A99-N343 HydrophobicContact CB-CB 4.18Å; R281-N343 WeakPolarHBondContact CD-OD1 3.29Å; R281-N343 PolarHBondContact NH1-OD1 2.66Å; S339-N343 PolarHBondContact O-N 3.14Å; S339-N343 PolarHBondContact O-ND2 3.46Å; S339-N343 PolarHBondContact O-OD1 2.94Å; V340-N343 WeakPolarHBondContact O-CB 3.24Å; V340-N343 PolarHBondContact O-N 3.43Å; V340-N343 VanDerWaalsContact O-N 3.17Å; E341-N343 PolarHBondContact O-N 3.32Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.49Å; N343-L346 PolarHBondContact O-N 3.25Å; N343-A347 WeakPolarHBondContact O-CB 3.18Å; N343-A347 PolarHBondContact O-N 2.87Å |
| 344 | K | 87.6 | Confident | 86.8 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.6 | -66.7 | 177.2 | -170.9 | 168 | 0 | 111.7 | I95 D310 V311 V340 E341 C342 A348 | I95-K344 HydrophobicContact CG2-CB 4.43Å; I95-K344 HydrophobicContact CG2-CG 4.07Å; D310-K344 PolarHBondContact O-NZ 3.48Å; V311-K344 HydrophobicContact CG2-CB 3.63Å; V311-K344 HydrophobicContact CG2-CD 4.17Å; V340-K344 PolarHBondContact O-N 3.13Å; V340-K344 VanDerWaalsContact O-N 3.12Å; E341-K344 WeakPolarHBondContact O-CB 3.26Å; E341-K344 PolarHBondContact O-N 2.94Å; E341-K344 IonicContact OE1-NZ 2.79Å; E341-K344 PolarHBondContact OE1-NZ 3.01Å; E341-K344 VanDerWaalsContact OE1-NZ 3.1Å; E341-K344 WeakPolarHBondContact OE2-CD 3.46Å; E341-K344 WeakPolarHBondContact OE2-CE 3.46Å; E341-K344 IonicContact OE2-NZ 3.31Å; E341-K344 PolarHBondContact OE2-NZ 2.88Å; C342-K344 VanDerWaalsContact C-N 3.27Å; C342-K344 PolarHBondContact O-N 2.88Å; K344-A348 PolarHBondContact O-N 3.49Å |
| 345 | L | 88.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -48.1 | 175.7 | -64.4 | 179.5 | 0 | 0 | 0 | 111.3 | L283 D309 V311 L334 I336 E341 C342 N343 A347 A348 I351 | L283-L345 HydrophobicContact CD2-CD1 4.5Å; D309-L345 WeakPolarHBondContact OD2-CD2 3.45Å; V311-L345 HydrophobicContact CB-CD2 3.93Å; V311-L345 HydrophobicContact CB-CG 4.32Å; V311-L345 HydrophobicContact CG1-CD1 4.13Å; V311-L345 HydrophobicContact CG1-CD2 3.97Å; V311-L345 HydrophobicContact CG1-CG 3.89Å; V311-L345 HydrophobicContact CG2-CD2 3.47Å; V311-L345 VanDerWaalsContact CG2-CD2 3.47Å; V311-L345 HydrophobicContact CG2-CG 3.8Å; L334-L345 HydrophobicContact CD2-CD1 4.21Å; I336-L345 HydrophobicContact CD1-CD1 3.79Å; I336-L345 HydrophobicContact CG1-CD1 4.4Å; E341-L345 PolarHBondContact O-N 3.36Å; C342-L345 WeakPolarHBondContact O-CB 3.42Å; C342-L345 PolarHBondContact O-N 3.06Å; C342-L345 VanDerWaalsContact O-N 3.17Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.49Å; L345-A347 VanDerWaalsContact C-N 3.31Å; L345-A347 PolarHBondContact O-N 2.93Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.32Å; L345-A348 VanDerWaalsContact O-N 3.12Å; L345-I351 HydrophobicContact CB-CD1 4.08Å; L345-I351 HydrophobicContact CB-CG1 4.12Å; L345-I351 HydrophobicContact CD2-CG2 4.04Å; L345-I351 WeakPolarHBondContact O-CG1 3.37Å |
| 346 | L | 88.4 | Confident | 87.5 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -29.3 | -178.8 | -65.5 | 175.6 | 0 | 0 | 0 | 113.1 | A99 Y250 V268 R281 C342 N343 A348 | A99-L346 HydrophobicContact CB-CB 3.71Å; Y250-L346 HydrophobicContact CE2-CD2 3.95Å; V268-L346 HydrophobicContact CG1-CD1 4.16Å; V268-L346 HydrophobicContact CG1-CD2 4.31Å; V268-L346 HydrophobicContact CG2-CD2 3.77Å; R281-L346 HydrophobicContact CB-CD1 4.33Å; C342-L346 WeakPolarHBondContact O-CG 3.27Å; C342-L346 PolarHBondContact O-N 3.35Å; C342-L346 VanDerWaalsContact O-N 3.08Å; N343-L346 PolarHBondContact O-N 3.25Å; L346-A348 PolarHBondContact O-N 3.17Å |
| 347 | A | 86.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -14.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | I95 L98 A99 N343 L345 | I95-A347 HydrophobicContact CD1-CB 4.1Å; I95-A347 HydrophobicContact CG2-CB 4.04Å; L98-A347 HydrophobicContact CB-CB 3.71Å; L98-A347 HydrophobicContact CD1-CB 4.26Å; A99-A347 HydrophobicContact CB-CB 4.44Å; N343-A347 WeakPolarHBondContact O-CB 3.18Å; N343-A347 PolarHBondContact O-N 2.87Å; L345-A347 VanDerWaalsContact C-N 3.31Å; L345-A347 PolarHBondContact O-N 2.93Å |
| 348 | A | 85.4 | Confident | 88.5 | Confident | 19 Ų | 19 | 33.6 Ų | 33.6 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -79.9 | 152 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | K344 L345 L346 N350 | K344-A348 PolarHBondContact O-N 3.49Å; L345-A348 WeakPolarHBondContact O-CB 3.35Å; L345-A348 PolarHBondContact O-N 3.32Å; L345-A348 VanDerWaalsContact O-N 3.12Å; L346-A348 PolarHBondContact O-N 3.17Å; A348-N350 WeakPolarHBondContact CB-O 3.28Å |
| 349 | K | 83 | Confident | 89 | Confident | 165 Ų | 165 | 32.1 Ų | 32.1 | 72% | 0.717 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -66.2 | -43.9 | 175.2 | -71.5 | -174.8 | 178.7 | -178.5 | 0 | 111.3 | P238 | P238-K349 WeakPolarHBondContact CD-O 3.31Š|
| 350 | N | 88.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 32 Ų | 32 | 29% | 0.289 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -127.8 | 148.9 | 174.6 | -59.3 | -30.5 | 0 | 0 | 0 | 108.1 | Q235 F236 A348 | Q235-N350 VanDerWaalsContact CD-ND2 3.34Å; Q235-N350 HydrophobicContact CG-CB 3.7Å; Q235-N350 PolarHBondContact NE2-ND2 2.82Å; Q235-N350 PolarHBondContact OE1-ND2 3.32Å; F236-N350 WeakPolarHBondContact O-CA 3.42Å; A348-N350 WeakPolarHBondContact CB-O 3.28Å |
| 351 | I | 90.8 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.7 | 174.6 | -64.8 | 166.2 | 0 | 0 | 0 | 107.8 | F236 Y250 L283 L345 L353 | F236-I351 HydrophobicContact CB-CB 3.97Å; F236-I351 WeakPolarHBondContact CB-O 3.4Å; F236-I351 HydrophobicContact CD2-CG2 4.48Å; F236-I351 PolarHBondContact N-O 2.86Å; F236-I351 PolarHBondContact O-N 3.47Å; F236-I351 VanDerWaalsContact O-N 3.09Å; Y250-I351 HydrophobicContact CD1-CD1 3.95Å; Y250-I351 HydrophobicContact CD1-CG1 4.48Å; Y250-I351 HydrophobicContact CD2-CD1 4.36Å; Y250-I351 HydrophobicContact CE1-CD1 3.66Å; Y250-I351 HydrophobicContact CE1-CG1 4.11Å; Y250-I351 HydrophobicContact CE2-CD1 4.12Å; Y250-I351 HydrophobicContact CG-CD1 4.28Å; L283-I351 HydrophobicContact CD2-CD1 4.38Å; L345-I351 HydrophobicContact CB-CD1 4.08Å; L345-I351 HydrophobicContact CB-CG1 4.12Å; L345-I351 HydrophobicContact CD2-CG2 4.04Å; L345-I351 WeakPolarHBondContact O-CG1 3.37Å; I351-L353 HydrophobicContact CG2-CD1 3.94Å; I351-L353 HydrophobicContact CG2-CD2 4.35Å; I351-L353 HydrophobicContact CG2-CG 3.85Å |
| 352 | N | 91.3 | Very high | 87.6 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 34% | 0.342 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.8 | 179.5 | -54.5 | -59.2 | 0 | 0 | 0 | 109.2 | V234 Q235 G306 | V234-N352 WeakPolarHBondContact O-CA 3.36Å; Q235-N352 WeakPolarHBondContact CG-OD1 3.43Å; Q235-N352 PolarHBondContact NE2-OD1 3.33Å; G306-N352 WeakPolarHBondContact CA-O 3.43Å; G306-N352 PolarHBondContact N-O 2.94Å |
| 353 | L | 92.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.8 | -179.4 | -63.3 | 174.8 | 0 | 0 | 0 | 110.1 | V234 F236 L303 L304 I313 L334 I351 | V234-L353 HydrophobicContact CG2-CB 4.02Å; V234-L353 WeakPolarHBondContact CG2-O 3.49Å; V234-L353 PolarHBondContact N-O 3.25Å; V234-L353 PolarHBondContact O-N 3.16Å; F236-L353 HydrophobicContact CD2-CD1 4.25Å; F236-L353 HydrophobicContact CE2-CB 4.46Å; F236-L353 HydrophobicContact CE2-CD1 3.88Å; L303-L353 HydrophobicContact CD1-CB 3.78Å; L303-L353 HydrophobicContact CD1-CD1 4.44Å; L303-L353 HydrophobicContact CD2-CB 4.32Å; L303-L353 HydrophobicContact CD2-CD1 3.43Å; L303-L353 VanDerWaalsContact CD2-CD1 3.43Å; L303-L353 HydrophobicContact CD2-CG 4.48Å; L303-L353 HydrophobicContact CG-CB 3.89Å; L303-L353 HydrophobicContact CG-CD1 3.81Å; L303-L353 HydrophobicContact CG-CG 4.41Å; L304-L353 CarbonylContact O-C 3.52Å; L304-L353 WeakPolarHBondContact O-CA 3.41Å; L304-L353 WeakPolarHBondContact O-CB 3.38Å; L304-L353 WeakPolarHBondContact O-CD2 3.49Å; I313-L353 HydrophobicContact CD1-CD2 3.51Å; L334-L353 HydrophobicContact CD2-CD1 3.97Å; I351-L353 HydrophobicContact CG2-CD1 3.94Å; I351-L353 HydrophobicContact CG2-CD2 4.35Å; I351-L353 HydrophobicContact CG2-CG 3.85Å |
| 354 | R | 92.9 | Very high | 87.7 | Confident | 82 Ų | 82 | 48.5 Ų | 48.5 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.9 | 176.9 | -75.5 | 175.5 | 176.7 | 171.6 | -3.7 | 109.7 | Y231 E233 L303 L304 K305 F356 | Y231-R354 HydrophobicContact CE2-CB 4.16Å; Y231-R354 HydrophobicContact CE2-CG 4.01Å; E233-R354 HydrophobicContact CG-CG 4.21Å; E233-R354 IonicContact OE1-CZ 3.53Å; E233-R354 IonicContact OE1-NE 3.67Å; E233-R354 PolarHBondContact OE1-NE 2.97Å; E233-R354 IonicContact OE1-NH2 3.2Å; E233-R354 PolarHBondContact OE1-NH2 2.97Å; L303-R354 WeakPolarHBondContact CA-O 3.49Å; L304-R354 HydrophobicContact CB-CB 4.27Å; L304-R354 PolarHBondContact N-O 2.65Å; L304-R354 PolarHBondContact O-N 3.43Å; K305-R354 WeakPolarHBondContact O-CD 3.23Å; R354-F356 HydrophobicContact CB-CE2 4.19Å |
| 355 | L | 94.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.3 | 176.3 | 179.7 | 67.9 | 0 | 0 | 0 | 109.3 | T232 V234 F255 L264 L287 F301 L303 L357 | T232-L355 HydrophobicContact CG2-CB 4.15Å; T232-L355 HydrophobicContact CG2-CD2 4.29Å; T232-L355 PolarHBondContact N-O 3.16Å; T232-L355 PolarHBondContact O-N 2.69Å; V234-L355 HydrophobicContact CG1-CB 4.02Å; V234-L355 HydrophobicContact CG1-CD2 4.36Å; V234-L355 HydrophobicContact CG2-CB 4.44Å; F255-L355 HydrophobicContact CE2-CD2 3.51Å; F255-L355 HydrophobicContact CZ-CD2 3.41Å; F255-L355 VanDerWaalsContact CZ-CD2 3.41Å; L264-L355 HydrophobicContact CD1-CD1 4.42Å; L264-L355 HydrophobicContact CD1-CD2 4.02Å; L287-L355 HydrophobicContact CD1-CD2 4.41Å; F301-L355 HydrophobicContact CB-CD1 4.39Å; L303-L355 HydrophobicContact CD1-CB 4.05Å; L303-L355 HydrophobicContact CD1-CD1 4.16Å; L355-L357 HydrophobicContact CD1-CD1 3.67Å; L355-L357 HydrophobicContact CD2-CD1 3.44Å; L355-L357 VanDerWaalsContact CD2-CD1 3.44Å; L355-L357 HydrophobicContact CG-CD1 3.47Å; L355-L357 VanDerWaalsContact CG-CD1 3.47Å |
| 356 | F | 94.1 | Very high | 87.6 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.4 | 165.1 | -67.9 | -99.8 | 0 | 0 | 0 | 108.5 | G230 Y231 F301 L302 L304 R354 F358 | G230-F356 WeakPolarHBondContact O-CA 3.39Å; Y231-F356 HydrophobicContact CD2-CD1 4.11Å; Y231-F356 HydrophobicContact CD2-CD2 4.34Å; Y231-F356 AromaticContact CD2-CE1 3.62Å; Y231-F356 HydrophobicContact CD2-CE1 3.62Å; Y231-F356 AromaticContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CE2 3.87Å; Y231-F356 HydrophobicContact CD2-CG 4.45Å; Y231-F356 AromaticContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CD2-CZ 3.48Å; Y231-F356 VanDerWaalsContact CD2-CZ 3.48Å; Y231-F356 HydrophobicContact CE2-CE1 4.38Å; Y231-F356 HydrophobicContact CE2-CE2 4.06Å; Y231-F356 AromaticContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CE2-CZ 3.81Å; Y231-F356 HydrophobicContact CG-CE1 4.27Å; Y231-F356 HydrophobicContact CG-CZ 4.5Å; F301-F356 WeakPolarHBondContact CA-O 3.45Å; F301-F356 WeakPolarHBondContact CB-O 3.29Å; L302-F356 HydrophobicContact CD2-CB 3.86Å; L302-F356 HydrophobicContact CG-CB 4.02Å; L302-F356 HydrophobicContact CG-CD2 4.49Å; L302-F356 PolarHBondContact N-O 3.35Å; L302-F356 PolarHBondContact O-N 3.39Å; L304-F356 HydrophobicContact CD1-CD2 4.11Å; L304-F356 HydrophobicContact CD1-CE2 3.84Å; R354-F356 HydrophobicContact CB-CE2 4.19Å; F356-F358 HydrophobicContact CB-CE2 3.62Å; F356-F358 HydrophobicContact CB-CZ 4.09Å; F356-F358 HydrophobicContact CD1-CZ 4.47Å |
| 357 | L | 94.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138 | 172.8 | -108.3 | 80.8 | 0 | 0 | 0 | 109.3 | G230 V257 L258 W262 L287 F301 L355 | G230-L357 PolarHBondContact N-O 2.94Å; G230-L357 PolarHBondContact O-N 2.95Å; V257-L357 HydrophobicContact CG1-CB 4.39Å; L258-L357 HydrophobicContact CD1-CB 4.1Å; W262-L357 HydrophobicContact CD2-CD2 4.11Å; W262-L357 HydrophobicContact CE3-CD2 4.46Å; W262-L357 HydrophobicContact CH2-CD2 3.87Å; W262-L357 HydrophobicContact CZ2-CD2 3.45Å; W262-L357 VanDerWaalsContact CZ2-CD2 3.45Å; W262-L357 HydrophobicContact CZ3-CD2 4.35Å; L287-L357 HydrophobicContact CD2-CD1 4.03Å; F301-L357 HydrophobicContact CB-CD1 3.91Å; F301-L357 HydrophobicContact CB-CG 4.17Å; L355-L357 HydrophobicContact CD1-CD1 3.67Å; L355-L357 HydrophobicContact CD2-CD1 3.44Å; L355-L357 VanDerWaalsContact CD2-CD1 3.44Å; L355-L357 HydrophobicContact CG-CD1 3.47Å; L355-L357 VanDerWaalsContact CG-CD1 3.47Å |
| 358 | F | 94.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 112.5 | 178.8 | -62.6 | -88.6 | 0 | 0 | 0 | 107.2 | L223 L224 F226 I229 C299 S300 L302 F356 | L223-F358 HydrophobicContact CB-CD1 3.69Å; L223-F358 HydrophobicContact CB-CD2 4.29Å; L223-F358 HydrophobicContact CB-CE1 3.79Å; L223-F358 HydrophobicContact CB-CE2 4.4Å; L223-F358 HydrophobicContact CB-CG 3.95Å; L223-F358 HydrophobicContact CB-CZ 4.15Å; L223-F358 HydrophobicContact CD1-CD2 4.11Å; L223-F358 HydrophobicContact CD1-CE2 4.34Å; L223-F358 HydrophobicContact CD1-CG 4.42Å; L223-F358 HydrophobicContact CD2-CB 4.32Å; L223-F358 HydrophobicContact CD2-CG 4.42Å; L223-F358 WeakPolarHBondContact O-CD1 3.35Å; L223-F358 WeakPolarHBondContact O-CE1 3.49Å; L224-F358 HydrophobicContact CD2-CE1 4.05Å; L224-F358 HydrophobicContact CD2-CZ 4.2Å; F226-F358 HydrophobicContact CD2-CB 4.11Å; I229-F358 HydrophobicContact CB-CD1 4.38Å; I229-F358 HydrophobicContact CB-CE1 4.39Å; I229-F358 HydrophobicContact CD1-CD1 4.26Å; I229-F358 HydrophobicContact CD1-CE1 4.01Å; I229-F358 HydrophobicContact CG1-CD1 3.8Å; I229-F358 HydrophobicContact CG1-CE1 3.96Å; I229-F358 HydrophobicContact CG2-CD1 3.97Å; I229-F358 HydrophobicContact CG2-CE1 3.61Å; I229-F358 HydrophobicContact CG2-CZ 4.2Å; C299-F358 CarbonylContact C-O 3.51Å; C299-F358 VanDerWaalsContact CA-O 3.25Å; C299-F358 WeakPolarHBondContact CA-O 3.39Å; S300-F358 PolarHBondContact N-O 3.35Å; S300-F358 WeakPolarHBondContact O-CB 3.27Å; S300-F358 WeakPolarHBondContact O-CD2 3.24Å; S300-F358 PolarHBondContact O-N 2.93Å; L302-F358 HydrophobicContact CD2-CD2 4.22Å; L302-F358 HydrophobicContact CD2-CE2 3.45Å; L302-F358 VanDerWaalsContact CD2-CE2 3.45Å; L302-F358 HydrophobicContact CD2-CZ 4.32Å; F356-F358 HydrophobicContact CB-CE2 3.62Å; F356-F358 HydrophobicContact CB-CZ 4.09Å; F356-F358 HydrophobicContact CD1-CZ 4.47Å |
| 359 | Q | 91.6 | Very high | 87.8 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.6 | 174.1 | 179.9 | 178.5 | -4.5 | 0 | 0 | 108.6 | K228 L258 Q361 | K228-Q359 HydrophobicContact CB-CB 3.88Å; K228-Q359 HydrophobicContact CD-CB 4.47Å; K228-Q359 HydrophobicContact CD-CG 4.42Å; K228-Q359 PolarHBondContact O-N 3.25Å; L258-Q359 HydrophobicContact CD1-CB 3.97Å; Q359-Q361 PolarHBondContact O-N 3.16Å |
| 360 | I | 87.6 | Confident | 88.2 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 18% | 0.179 | 23% | 0.234 | C | C | . | . | trans | -76.5 | 116.7 | 175.7 | -64.7 | 160.3 | 0 | 0 | 0 | 107.1 | F226 E298 S300 H319 | F226-I360 HydrophobicContact CD2-CG1 4.21Å; F226-I360 HydrophobicContact CE2-CB 4.39Å; F226-I360 HydrophobicContact CE2-CD1 4.37Å; F226-I360 HydrophobicContact CE2-CG1 3.41Å; F226-I360 VanDerWaalsContact CE2-CG1 3.41Å; F226-I360 HydrophobicContact CZ-CG1 3.88Å; E298-I360 HydrophobicContact CB-CB 4.24Å; E298-I360 HydrophobicContact CG-CB 3.99Å; E298-I360 HydrophobicContact CG-CD1 3.94Å; E298-I360 HydrophobicContact CG-CG2 4.4Å; E298-I360 PolarHBondContact O-N 3.32Å; S300-I360 WeakPolarHBondContact OG-CD1 3.33Å; H319-I360 VanDerWaalsContact CE1-CD1 3.47Å; H319-I360 WeakPolarHBondContact CE1-CD1 3.31Å | ||
| 361 | Q | 73.9 | Confident | 88.1 | Confident | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | trans | -96.4 | 129.1 | 168.1 | -67 | -177.9 | -76.2 | 0 | 0 | 107.6 | K228 Q359 | K228-Q361 HydrophobicContact CD-CG 4.34Å; Q359-Q361 PolarHBondContact O-N 3.16Å | ||
| 362 | K | 58.8 | Low | 87.8 | Confident | 249 Ų | 249 | 55.5 Ų | 55.5 | 100% | 1.083 | 25% | 0.249 | S | C | * | . | trans | -77.7 | 0 | 169.2 | -75.1 | -175.1 | -179.6 | 176.2 | 0 | 110.9 | E298 | E298-K362 WeakPolarHBondContact OE2-CE 3.46Š|
Retrieved 362 of 362 residues in 778.8 ms
(Link to these results)