| 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 | 51.7 | Low | 51.7 | Low | 227 Ų | 227 | 142.5 Ų | 142.5 | 100% | 1.118 | 68% | 0.676 | S | S | * | * | 0 | 29.6 | 0 | -148.1 | 169.7 | 174.5 | 0 | 0 | 112.6 | |||||
| 2 | H | 52.2 | Low | 51.9 | Low | 164 Ų | 164 | 142.2 Ų | 142.2 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | trans | -114.9 | -0.7 | -171.7 | -72.3 | -42.9 | 0 | 0 | 0 | 115.9 | ||||
| 3 | Y | 50.3 | Low | 51.9 | Low | 203 Ų | 203 | 139.6 Ų | 139.6 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -90 | -12 | 179.3 | -82.8 | -85.8 | 0 | 0 | 0 | 114.9 | ||
| 4 | R | 51.2 | Low | 52.2 | Low | 215 Ų | 215 | 135.5 Ų | 135.5 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.8 | -19.3 | -179.9 | -79.9 | -173.5 | 170.4 | -175.3 | -2.8 | 114.4 | ||
| 5 | V | 52.6 | Low | 52.5 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.655 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.6 | -29.5 | -176.6 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | S9 | V5-S9 PolarHBondContact O-N 3.31Å |
| 6 | L | 48.4 | Very low | 52.7 | Low | 106 Ų | 106 | 129.9 Ų | 129.9 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.5 | -29.7 | 179.1 | -75.2 | 160.2 | 0 | 0 | 0 | 113.4 | S9 H10 | L6-S9 PolarHBondContact O-OG 3.27Å; L6-H10 PolarHBondContact O-N 3.13Å |
| 7 | L | 48.3 | Very low | 52.7 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -35.6 | 175.8 | -108.9 | 126.7 | 0 | 0 | 0 | 112.2 | I11 | L7-I11 HydrophobicContact CD2-CD1 4.46Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.31Å; L7-I11 VanDerWaalsContact O-N 3.15Å |
| 8 | F | 50.8 | Low | 52.7 | Low | 153 Ų | 153 | 127.2 Ų | 127.2 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -36.9 | 176.6 | -92.7 | -84 | 0 | 0 | 0 | 112.6 | F12 | F8-F12 PolarHBondContact O-N 3.12Å; F8-F12 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 53.5 | Low | 52.8 | Low | 58 Ų | 58 | 125.3 Ų | 125.3 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.1 | -36.4 | 177.7 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | V5 L6 L13 | V5-S9 PolarHBondContact O-N 3.31Å; L6-S9 PolarHBondContact O-OG 3.27Å; S9-L13 WeakPolarHBondContact O-CB 3.26Å; S9-L13 PolarHBondContact O-N 3.21Å |
| 10 | H | 52.1 | Low | 52.9 | Low | 126 Ų | 126 | 124.9 Ų | 124.9 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.1 | -38.6 | 175.1 | -76.6 | 0 | 0 | 0 | 0 | 113 | L6 L13 V14 | L6-H10 PolarHBondContact O-N 3.13Å; H10-L13 PolarHBondContact O-N 2.98Å; H10-V14 WeakPolarHBondContact O-CB 3.49Å; H10-V14 VanDerWaalsContact O-CG2 3.23Å; H10-V14 WeakPolarHBondContact O-CG2 3.43Å; H10-V14 PolarHBondContact O-N 3.41Å |
| 11 | I | 57.1 | Low | 53.4 | Low | 90 Ų | 90 | 122.6 Ų | 122.6 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.5 | -42.1 | 175.6 | -67.9 | 166.7 | 0 | 0 | 0 | 110.7 | L7 V14 I15 | L7-I11 HydrophobicContact CD2-CD1 4.46Å; L7-I11 WeakPolarHBondContact O-CD1 3.33Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.31Å; L7-I11 VanDerWaalsContact O-N 3.15Å; I11-V14 PolarHBondContact O-N 3.48Å; I11-I15 HydrophobicContact CG2-CD1 3.82Å; I11-I15 WeakPolarHBondContact O-CD1 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 2.96Å; I11-I15 VanDerWaalsContact O-N 3.09Å |
| 12 | F | 54.8 | Low | 53.8 | Low | 138 Ų | 138 | 112.3 Ų | 112.3 | 61% | 0.605 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 177.5 | -124.5 | -89.9 | 0 | 0 | 0 | 112.4 | F8 I15 I16 | F8-F12 PolarHBondContact O-N 3.12Å; F8-F12 VanDerWaalsContact O-N 3.09Å; F12-I15 PolarHBondContact O-N 2.76Å; F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 VanDerWaalsContact O-CG1 3.31Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.94Å |
| 13 | L | 51.5 | Low | 54.4 | Low | 109 Ų | 109 | 107.2 Ų | 107.2 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 179.1 | -144 | 94.2 | 0 | 0 | 0 | 112 | S9 H10 I16 L17 | S9-L13 WeakPolarHBondContact O-CB 3.26Å; S9-L13 PolarHBondContact O-N 3.21Å; H10-L13 PolarHBondContact O-N 2.98Å; L13-I16 PolarHBondContact O-N 3.11Å; L13-L17 HydrophobicContact CD2-CD1 4.3Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.56Å |
| 14 | V | 56.8 | Low | 55.5 | Low | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | H10 I11 L17 L18 | H10-V14 WeakPolarHBondContact O-CB 3.49Å; H10-V14 VanDerWaalsContact O-CG2 3.23Å; H10-V14 WeakPolarHBondContact O-CG2 3.43Å; H10-V14 PolarHBondContact O-N 3.41Å; I11-V14 PolarHBondContact O-N 3.48Å; V14-L17 PolarHBondContact O-N 2.83Å; V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.19Å; V14-L18 VanDerWaalsContact O-CG 3.24Å; V14-L18 WeakPolarHBondContact O-CG 3.17Å; V14-L18 PolarHBondContact O-N 2.88Å |
| 15 | I | 56.7 | Low | 56.8 | Low | 87 Ų | 87 | 92.9 Ų | 92.9 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.8 | -67.6 | 166.6 | 0 | 0 | 0 | 111.2 | I11 F12 N19 | I11-I15 HydrophobicContact CG2-CD1 3.82Å; I11-I15 WeakPolarHBondContact O-CD1 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.35Å; I11-I15 PolarHBondContact O-N 2.96Å; I11-I15 VanDerWaalsContact O-N 3.09Å; F12-I15 PolarHBondContact O-N 2.76Å; I15-N19 WeakPolarHBondContact O-CB 3.33Å; I15-N19 PolarHBondContact O-N 3.32Å; I15-N19 VanDerWaalsContact O-N 3.07Å |
| 16 | I | 55.8 | Low | 58.4 | Low | 95 Ų | 95 | 90 Ų | 90 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 177.2 | -68.7 | 167.9 | 0 | 0 | 0 | 110.8 | F12 L13 L18 N19 D20 | F12-I16 HydrophobicContact CD1-CD1 4Å; F12-I16 VanDerWaalsContact O-CG1 3.31Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.94Å; L13-I16 PolarHBondContact O-N 3.11Å; I16-L18 PolarHBondContact O-N 3.11Å; I16-N19 PolarHBondContact O-N 2.86Å; I16-D20 PolarHBondContact O-N 3.13Å |
| 17 | L | 51.3 | Low | 60.1 | Low | 104 Ų | 104 | 90.8 Ų | 90.8 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 179.7 | -71.9 | 168.3 | 0 | 0 | 0 | 112.6 | L13 V14 D20 T21 | L13-L17 HydrophobicContact CD2-CD1 4.3Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 2.56Å; V14-L17 PolarHBondContact O-N 2.83Å; L17-D20 PolarHBondContact O-N 2.93Å; L17-T21 WeakPolarHBondContact O-CG2 3.5Å; L17-T21 PolarHBondContact O-N 2.79Å; L17-T21 PolarHBondContact O-OG1 3.24Å |
| 18 | L | 53 | Low | 62.1 | Low | 107 Ų | 107 | 93.3 Ų | 93.3 | 56% | 0.56 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 175.7 | -73 | 169.4 | 0 | 0 | 0 | 111.5 | V14 I16 D20 T21 S22 | V14-L18 HydrophobicContact CG1-CD1 3.84Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.19Å; V14-L18 VanDerWaalsContact O-CG 3.24Å; V14-L18 WeakPolarHBondContact O-CG 3.17Å; V14-L18 PolarHBondContact O-N 2.88Å; I16-L18 PolarHBondContact O-N 3.11Å; L18-D20 PolarHBondContact O-N 2.73Å; L18-T21 PolarHBondContact O-N 3.18Å; L18-T21 PolarHBondContact O-OG1 3.05Å; L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 VanDerWaalsContact O-N 3.08Å; L18-S22 PolarHBondContact O-OG 3.12Å |
| 19 | N | 54.4 | Low | 64.2 | Low | 90 Ų | 90 | 87 Ų | 87 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 177.5 | -78.7 | -11.5 | 0 | 0 | 0 | 113 | I15 I16 S22 A23 | I15-N19 WeakPolarHBondContact O-CB 3.33Å; I15-N19 PolarHBondContact O-N 3.32Å; I15-N19 VanDerWaalsContact O-N 3.07Å; I16-N19 PolarHBondContact O-N 2.86Å; N19-S22 PolarHBondContact O-OG 3.32Å; N19-S22 VanDerWaalsContact O-OG 3.05Å; N19-A23 VanDerWaalsContact O-CB 3.31Å; N19-A23 WeakPolarHBondContact O-CB 3.31Å; N19-A23 PolarHBondContact O-N 2.84Å |
| 20 | D | 56.2 | Low | 66.2 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | -179.6 | -142 | 5.4 | 0 | 0 | 0 | 111.2 | I16 L17 L18 S24 | I16-D20 PolarHBondContact O-N 3.13Å; L17-D20 PolarHBondContact O-N 2.93Å; L18-D20 PolarHBondContact O-N 2.73Å; D20-S24 WeakPolarHBondContact O-CB 3.34Å; D20-S24 PolarHBondContact O-N 2.94Å; D20-S24 VanDerWaalsContact O-N 3.12Å |
| 21 | T | 62.4 | Low | 68.3 | Low | 77 Ų | 77 | 83.6 Ų | 83.6 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | L17 L18 S24 L25 | L17-T21 WeakPolarHBondContact O-CG2 3.5Å; L17-T21 PolarHBondContact O-N 2.79Å; L17-T21 PolarHBondContact O-OG1 3.24Å; L18-T21 PolarHBondContact O-N 3.18Å; L18-T21 PolarHBondContact O-OG1 3.05Å; T21-S24 PolarHBondContact O-N 3.29Å; T21-S24 PolarHBondContact O-OG 3.29Å; T21-L25 WeakPolarHBondContact O-CG 3.39Å; T21-L25 PolarHBondContact O-N 3.46Å; T21-L25 VanDerWaalsContact O-N 3.11Å |
| 22 | S | 60.2 | Low | 69.8 | Low | 12 Ų | 12 | 86.4 Ų | 86.4 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 179.7 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | L18 N19 S24 L25 K26 K158 | L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 VanDerWaalsContact O-N 3.08Å; L18-S22 PolarHBondContact O-OG 3.12Å; N19-S22 PolarHBondContact O-OG 3.32Å; N19-S22 VanDerWaalsContact O-OG 3.05Å; S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 3.49Å; S22-L25 PolarHBondContact O-N 2.93Å; S22-L25 VanDerWaalsContact O-N 3.11Å; S22-K26 PolarHBondContact O-N 2.99Å; S22-K158 WeakPolarHBondContact CB-O 3.5Å |
| 23 | A | 64.5 | Low | 71.4 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N19 L25 H27 | N19-A23 VanDerWaalsContact O-CB 3.31Å; N19-A23 WeakPolarHBondContact O-CB 3.31Å; N19-A23 PolarHBondContact O-N 2.84Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.3Å; A23-H27 WeakPolarHBondContact O-CB 3.41Å; A23-H27 PolarHBondContact O-N 2.94Å |
| 24 | S | 73 | Confident | 73.2 | Confident | 51 Ų | 51 | 79 Ų | 79 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 175.7 | 83.4 | 0 | 0 | 0 | 0 | 112.9 | D20 T21 S22 R28 | D20-S24 WeakPolarHBondContact O-CB 3.34Å; D20-S24 PolarHBondContact O-N 2.94Å; D20-S24 VanDerWaalsContact O-N 3.12Å; T21-S24 PolarHBondContact O-N 3.29Å; T21-S24 PolarHBondContact O-OG 3.29Å; S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 3.49Å; S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.36Å; S24-R28 PolarHBondContact O-N 2.99Å |
| 25 | L | 79.6 | Confident | 74.8 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.2 | -46.7 | 178.9 | -70.5 | 169.1 | 0 | 0 | 0 | 111.7 | T21 S22 A23 H27 R28 D29 R159 | T21-L25 WeakPolarHBondContact O-CG 3.39Å; T21-L25 PolarHBondContact O-N 3.46Å; T21-L25 VanDerWaalsContact O-N 3.11Å; S22-L25 PolarHBondContact O-N 2.93Å; S22-L25 VanDerWaalsContact O-N 3.11Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.3Å; L25-H27 VanDerWaalsContact C-N 3.28Å; L25-H27 PolarHBondContact O-N 2.95Å; L25-R28 WeakPolarHBondContact O-CB 3.49Å; L25-R28 PolarHBondContact O-N 3.42Å; L25-R28 VanDerWaalsContact O-N 3.15Å; L25-D29 PolarHBondContact O-N 3.36Å; L25-R159 HydrophobicContact CB-CG 4.06Å |
| 26 | K | 85.2 | Confident | 76.2 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 20% | 0.204 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.4 | -43.3 | 175 | 174 | 172.3 | -175.4 | 173.7 | 0 | 111.5 | S22 R28 D29 R30 F46 E65 F160 E162 | S22-K26 PolarHBondContact O-N 2.99Å; K26-R28 VanDerWaalsContact C-N 3.28Å; K26-R28 PolarHBondContact O-N 3.34Å; K26-D29 PolarHBondContact O-N 3.09Å; K26-R30 PolarHBondContact O-N 3.11Å; K26-F46 HydrophobicContact CD-CE1 4.16Å; K26-F46 HydrophobicContact CD-CZ 4.28Å; K26-F46 VanDerWaalsContact CE-CE1 3.44Å; K26-F46 HydrophobicContact CG-CD1 4Å; K26-F46 HydrophobicContact CG-CE1 3.54Å; K26-F46 HydrophobicContact CG-CZ 4.16Å; K26-F46 WeakPolarHBondContact O-CD1 3.48Å; K26-E65 IonicContact NZ-OE1 3.53Å; K26-E65 PolarHBondContact NZ-OE1 3.1Å; K26-F160 HydrophobicContact CB-CD1 4.49Å; K26-F160 HydrophobicContact CB-CE1 4.28Å; K26-F160 HydrophobicContact CD-CD1 3.72Å; K26-F160 HydrophobicContact CD-CE1 3.84Å; K26-F160 HydrophobicContact CG-CD1 3.97Å; K26-F160 HydrophobicContact CG-CE1 3.63Å; K26-F160 HydrophobicContact CG-CZ 4.48Å; K26-E162 IonicContact NZ-OE1 3.98Å; K26-E162 PolarHBondContact NZ-OE1 3.44Å |
| 27 | H | 86.1 | Confident | 77.6 | Confident | 122 Ų | 122 | 71.4 Ų | 71.4 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.4 | -32.9 | -179.7 | -169.7 | -68.3 | 0 | 0 | 0 | 112.5 | A23 L25 D29 R30 | A23-H27 WeakPolarHBondContact O-CB 3.41Å; A23-H27 PolarHBondContact O-N 2.94Å; L25-H27 VanDerWaalsContact C-N 3.28Å; L25-H27 PolarHBondContact O-N 2.95Å; H27-D29 VanDerWaalsContact C-N 3.31Å; H27-R30 PolarHBondContact O-N 2.82Å |
| 28 | R | 89.5 | Confident | 78.8 | Confident | 171 Ų | 171 | 77.3 Ų | 77.3 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.8 | -32.1 | 177.5 | -73.5 | 171.4 | -173.3 | -172.6 | 3.1 | 112.9 | S24 L25 K26 H363 | S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.36Å; S24-R28 PolarHBondContact O-N 2.99Å; L25-R28 WeakPolarHBondContact O-CB 3.49Å; L25-R28 PolarHBondContact O-N 3.42Å; L25-R28 VanDerWaalsContact O-N 3.15Å; K26-R28 VanDerWaalsContact C-N 3.28Å; K26-R28 PolarHBondContact O-N 3.34Å; R28-H363 PolarHBondContact O-CD2 3.43Å; R28-H363 PolarHBondContact O-CE1 3.31Å; R28-H363 PolarHBondContact O-NE2 3.07Å |
| 29 | D | 95.1 | Very high | 80.2 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -87.3 | -6 | -178 | -70.9 | 10.2 | 0 | 0 | 0 | 112.4 | L25 K26 H27 V31 F46 S47 Y61 R159 H363 | L25-D29 PolarHBondContact O-N 3.36Å; K26-D29 PolarHBondContact O-N 3.09Å; H27-D29 VanDerWaalsContact C-N 3.31Å; D29-V31 PolarHBondContact O-N 3.13Å; D29-F46 HydrophobicContact CB-CB 4.3Å; D29-F46 CarbonylContact O-C 3.2Å; D29-F46 WeakPolarHBondContact O-CA 3.41Å; D29-S47 WeakPolarHBondContact CA-O 3.42Å; D29-S47 WeakPolarHBondContact CB-O 3.16Å; D29-S47 PolarHBondContact O-N 3.05Å; D29-Y61 VanDerWaalsContact CB-OH 3.31Å; D29-Y61 WeakPolarHBondContact CB-OH 3.29Å; D29-Y61 WeakPolarHBondContact OD2-CE1 3.41Å; D29-Y61 PolarHBondContact OD2-OH 3.26Å; D29-R159 WeakPolarHBondContact OD2-CD 3.3Å; D29-R159 IonicContact OD2-CZ 3.46Å; D29-R159 IonicContact OD2-NE 2.91Å; D29-R159 IonicContact OD2-NH1 3.7Å; D29-R159 PolarHBondContact OD2-NH1 3.16Å; D29-H363 PolarHBondContact O-CD2 3.15Å |
| 30 | R | 95.7 | Very high | 81.4 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 39% | 0.392 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 124.1 | -175.3 | -168.6 | 178 | -174.5 | -171.4 | 1.6 | 111.5 | K26 H27 Q32 N44 F46 H363 | K26-R30 PolarHBondContact O-N 3.11Å; H27-R30 PolarHBondContact O-N 2.82Å; R30-Q32 PolarHBondContact O-N 2.85Å; R30-N44 PolarHBondContact NH2-OD1 2.77Å; R30-F46 HydrophobicContact CB-CD1 3.84Å; R30-F46 HydrophobicContact CB-CE1 3.74Å; R30-F46 HydrophobicContact CG-CD1 4.22Å; R30-F46 HydrophobicContact CG-CE1 3.81Å; R30-F46 HydrophobicContact CG-CZ 4.37Å; R30-H363 PolarHBondContact O-NE2 2.83Å |
| 31 | V | 94.8 | Very high | 82.8 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | trans | -83.5 | 103.6 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | D29 L34 Q45 I362 | D29-V31 PolarHBondContact O-N 3.13Å; V31-L34 HydrophobicContact CG1-CB 4.26Å; V31-L34 HydrophobicContact CG1-CD1 4.35Å; V31-Q45 HydrophobicContact CB-CG 3.99Å; V31-Q45 HydrophobicContact CG1-CG 4.46Å; V31-Q45 PolarHBondContact N-O 2.91Å; V31-I362 HydrophobicContact CG2-CG2 4.45Å | ||
| 32 | Q | 89.4 | Confident | 84.1 | Confident | 150 Ų | 150 | 74.9 Ų | 74.9 | 70% | 0.701 | 40% | 0.397 | S | S | * | . | trans | -74.6 | -40.8 | -174.2 | -65.1 | -176.2 | -0.1 | 0 | 0 | 113 | R30 | R30-Q32 PolarHBondContact O-N 2.85Š| ||
| 33 | S | 87.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 56% | 0.559 | 40% | 0.398 | S | S | * | . | trans | -147.2 | 142.3 | 175.9 | 62.7 | 0 | 0 | 0 | 0 | 107.8 | A361 | S33-A361 WeakPolarHBondContact O-CB 3.41Š| ||
| 34 | L | 90.3 | Very high | 87.3 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | trans | -117.9 | 123.4 | 178.5 | -173.4 | 70.5 | 0 | 0 | 0 | 108.7 | V31 G36 I37 W62 L106 Y352 A361 I362 | V31-L34 HydrophobicContact CG1-CB 4.26Å; V31-L34 HydrophobicContact CG1-CD1 4.35Å; L34-G36 PolarHBondContact O-N 3.08Å; L34-I37 HydrophobicContact CB-CD1 3.98Å; L34-I37 HydrophobicContact CB-CG1 4.47Å; L34-I37 HydrophobicContact CD2-CD1 3.53Å; L34-I37 HydrophobicContact CD2-CG1 4.31Å; L34-I37 HydrophobicContact CG-CD1 4.19Å; L34-I37 PolarHBondContact O-N 3.18Å; L34-W62 HydrophobicContact CD1-CH2 3.64Å; L34-W62 HydrophobicContact CD1-CZ2 3.92Å; L34-W62 HydrophobicContact CD2-CH2 3.84Å; L34-W62 HydrophobicContact CD2-CZ2 3.8Å; L34-W62 HydrophobicContact CG-CH2 4.42Å; L34-W62 HydrophobicContact CG-CZ2 4.48Å; L34-L106 HydrophobicContact CD2-CD1 4.09Å; L34-Y352 WeakPolarHBondContact CD2-OH 3.5Å; L34-Y352 WeakPolarHBondContact CG-OH 3.49Å; L34-A361 HydrophobicContact CD1-CB 4.39Å; L34-I362 HydrophobicContact CD1-CG2 3.79Å | ||
| 35 | P | 89.7 | Confident | 88.4 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 29% | 0.292 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.2 | -178.9 | -27.1 | 35.3 | 0 | 0 | 0 | 112.4 | Y352 V358 | P35-Y352 VanDerWaalsContact O-CE2 3.29Å; P35-Y352 WeakPolarHBondContact O-CE2 3.47Å; P35-Y352 PolarHBondContact O-OH 2.94Å; P35-V358 HydrophobicContact CB-CG2 4Å; P35-V358 HydrophobicContact CG-CG2 3.94Å |
| 36 | G | 87.1 | Confident | 89.3 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -4.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L34 | L34-G36 PolarHBondContact O-N 3.08Š|
| 37 | I | 84.6 | Confident | 89.9 | Confident | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | trans | -99.8 | 124.4 | 174.1 | -61.5 | -176.7 | 0 | 0 | 0 | 110.9 | L34 P39 P41 Y98 L106 | L34-I37 HydrophobicContact CB-CD1 3.98Å; L34-I37 HydrophobicContact CB-CG1 4.47Å; L34-I37 HydrophobicContact CD2-CD1 3.53Å; L34-I37 HydrophobicContact CD2-CG1 4.31Å; L34-I37 HydrophobicContact CG-CD1 4.19Å; L34-I37 PolarHBondContact O-N 3.18Å; I37-P39 WeakPolarHBondContact CG2-O 3.41Å; I37-P41 HydrophobicContact CG2-CG 4.15Å; I37-Y98 HydrophobicContact CD1-CD1 4.21Å; I37-Y98 HydrophobicContact CD1-CD2 3.35Å; I37-Y98 HydrophobicContact CD1-CE1 4.21Å; I37-Y98 HydrophobicContact CD1-CE2 3.37Å; I37-Y98 HydrophobicContact CD1-CG 3.83Å; I37-Y98 HydrophobicContact CG1-CD1 4.33Å; I37-Y98 HydrophobicContact CG1-CD2 4.28Å; I37-Y98 HydrophobicContact CG1-CE1 4.4Å; I37-Y98 HydrophobicContact CG1-CE2 4.39Å; I37-Y98 HydrophobicContact CG1-CG 4.29Å; I37-Y98 HydrophobicContact CG2-CD1 4.47Å; I37-Y98 HydrophobicContact CG2-CE1 3.77Å; I37-Y98 HydrophobicContact CG2-CE2 4.36Å; I37-L106 HydrophobicContact CD1-CD1 3.92Å; I37-L106 HydrophobicContact CG1-CB 4.02Å; I37-L106 HydrophobicContact CG1-CD1 3.49Å; I37-L106 VanDerWaalsContact CG1-CD1 3.49Å; I37-L106 HydrophobicContact CG1-CG 4.41Å | ||
| 38 | W | 76.2 | Confident | 90.4 | Very high | 228 Ų | 228 | 62.2 Ų | 62.2 | 86% | 0.864 | 32% | 0.323 | S | S | * | . | trans | -148.1 | 135.5 | 166.4 | -173 | -97 | 0 | 0 | 0 | 110.8 | ||||
| 39 | P | 81.9 | Confident | 90.6 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | S | Bend | cis | -68.5 | 165.4 | -5.3 | 31.2 | -36.4 | 0 | 0 | 0 | 112.7 | I37 | I37-P39 WeakPolarHBondContact CG2-O 3.41Š|
| 40 | V | 80.7 | Confident | 90.7 | Very high | 88 Ų | 88 | 53.9 Ų | 53.9 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 135.3 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 41 | P | 86 | Confident | 90.8 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 16% | 0.156 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 144.9 | 179.1 | -14.1 | 20.9 | 0 | 0 | 0 | 112.3 | I37 F43 Y98 | I37-P41 HydrophobicContact CG2-CG 4.15Å; P41-F43 VanDerWaalsContact C-N 3.31Å; P41-F43 HydrophobicContact CB-CD1 4.2Å; P41-F43 HydrophobicContact CB-CD2 4.26Å; P41-F43 HydrophobicContact CB-CE1 3.86Å; P41-F43 HydrophobicContact CB-CE2 3.88Å; P41-F43 HydrophobicContact CB-CG 4.4Å; P41-F43 HydrophobicContact CB-CZ 3.67Å; P41-F43 HydrophobicContact CG-CZ 4.41Å; P41-Y98 WeakPolarHBondContact CB-OH 3.18Å; P41-Y98 HydrophobicContact CG-CE2 4.15Å; P41-Y98 VanDerWaalsContact CG-OH 3.26Å; P41-Y98 WeakPolarHBondContact CG-OH 3.21Å |
| 42 | T | 89.8 | Confident | 91 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 80% | 0.804 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -83.6 | -7.1 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 43 | F | 95 | Very high | 91.3 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -109 | 156 | 178.2 | 53.9 | -95.1 | 0 | 0 | 0 | 110.6 | P41 V64 V67 P97 Y98 | P41-F43 VanDerWaalsContact C-N 3.31Å; P41-F43 HydrophobicContact CB-CD1 4.2Å; P41-F43 HydrophobicContact CB-CD2 4.26Å; P41-F43 HydrophobicContact CB-CE1 3.86Å; P41-F43 HydrophobicContact CB-CE2 3.88Å; P41-F43 HydrophobicContact CB-CG 4.4Å; P41-F43 HydrophobicContact CB-CZ 3.67Å; P41-F43 HydrophobicContact CG-CZ 4.41Å; F43-V64 HydrophobicContact CD2-CG1 3.65Å; F43-V64 HydrophobicContact CE2-CG1 3.39Å; F43-V64 HydrophobicContact CZ-CG1 4.2Å; F43-V67 HydrophobicContact CD1-CG2 3.91Å; F43-V67 HydrophobicContact CE1-CG2 4.42Å; F43-P97 HydrophobicContact CE1-CB 4.12Å; F43-P97 HydrophobicContact CE2-CB 4.25Å; F43-P97 HydrophobicContact CE2-CG 4.14Å; F43-P97 HydrophobicContact CZ-CB 3.44Å; F43-P97 VanDerWaalsContact CZ-CB 3.44Å; F43-P97 HydrophobicContact CZ-CG 3.79Å; F43-Y98 AromaticContact CZ-CE2 3.85Å; F43-Y98 HydrophobicContact CZ-CE2 3.85Å |
| 44 | N | 96 | Very high | 91.7 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | trans | -81 | 154.5 | 174.9 | -54.3 | -60.4 | 0 | 0 | 0 | 111.3 | R30 F46 E65 | R30-N44 PolarHBondContact NH2-OD1 2.77Å; N44-F46 HydrophobicContact CB-CE2 3.61Å; N44-F46 HydrophobicContact CB-CZ 3.83Å; N44-E65 HydrophobicContact CB-CB 4.5Å; N44-E65 HydrophobicContact CB-CG 4.3Å; N44-E65 VanDerWaalsContact CB-OE2 3.3Å; N44-E65 WeakPolarHBondContact CB-OE2 3.21Å; N44-E65 PolarHBondContact ND2-OE2 3.38Å; N44-E65 WeakPolarHBondContact O-CB 3.35Å; N44-E65 PolarHBondContact O-N 2.94Å | ||
| 45 | Q | 96.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.4 | 171.1 | 41.3 | 166.9 | -6.4 | 0 | 0 | 110.1 | V31 L63 | V31-Q45 HydrophobicContact CB-CG 3.99Å; V31-Q45 HydrophobicContact CG1-CG 4.46Å; V31-Q45 PolarHBondContact N-O 2.91Å; Q45-L63 CarbonylContact C-O 3.55Å; Q45-L63 WeakPolarHBondContact CA-O 3.3Å; Q45-L63 WeakPolarHBondContact CB-O 3.29Å |
| 46 | F | 97.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.1 | -174.8 | -53.3 | -95.9 | 0 | 0 | 0 | 109.4 | K26 D29 R30 N44 Y61 W62 L63 E65 F160 | K26-F46 HydrophobicContact CD-CE1 4.16Å; K26-F46 HydrophobicContact CD-CZ 4.28Å; K26-F46 VanDerWaalsContact CE-CE1 3.44Å; K26-F46 HydrophobicContact CG-CD1 4Å; K26-F46 HydrophobicContact CG-CE1 3.54Å; K26-F46 HydrophobicContact CG-CZ 4.16Å; K26-F46 WeakPolarHBondContact O-CD1 3.48Å; D29-F46 HydrophobicContact CB-CB 4.3Å; D29-F46 CarbonylContact O-C 3.2Å; D29-F46 WeakPolarHBondContact O-CA 3.41Å; R30-F46 HydrophobicContact CB-CD1 3.84Å; R30-F46 HydrophobicContact CB-CE1 3.74Å; R30-F46 HydrophobicContact CG-CD1 4.22Å; R30-F46 HydrophobicContact CG-CE1 3.81Å; R30-F46 HydrophobicContact CG-CZ 4.37Å; N44-F46 HydrophobicContact CB-CE2 3.61Å; N44-F46 HydrophobicContact CB-CZ 3.83Å; F46-Y61 HydrophobicContact CB-CE2 4.32Å; F46-W62 CarbonylContact O-C 3.54Å; F46-W62 VanDerWaalsContact O-CA 3.31Å; F46-W62 WeakPolarHBondContact O-CA 3.1Å; F46-L63 HydrophobicContact CB-CB 4.32Å; F46-L63 HydrophobicContact CD2-CB 4.46Å; F46-L63 HydrophobicContact CD2-CD2 3.93Å; F46-L63 HydrophobicContact CD2-CG 4.38Å; F46-L63 PolarHBondContact N-O 3.09Å; F46-L63 PolarHBondContact O-N 3.31Å; F46-E65 HydrophobicContact CE2-CG 4.06Å; F46-E65 WeakPolarHBondContact CE2-OE1 3.38Å; F46-F160 HydrophobicContact CB-CE1 4.19Å; F46-F160 HydrophobicContact CB-CZ 3.8Å; F46-F160 AromaticContact CD1-CE1 3.92Å; F46-F160 HydrophobicContact CD1-CE1 3.92Å; F46-F160 HydrophobicContact CD1-CZ 4.19Å; F46-F160 AromaticContact CD2-CE1 3.92Å; F46-F160 HydrophobicContact CD2-CE1 3.92Å; F46-F160 HydrophobicContact CD2-CZ 4.38Å; F46-F160 HydrophobicContact CE1-CE1 4.34Å; F46-F160 HydrophobicContact CE2-CE1 4.34Å; F46-F160 AromaticContact CG-CE1 3.73Å; F46-F160 HydrophobicContact CG-CE1 3.73Å; F46-F160 AromaticContact CG-CZ 3.86Å; F46-F160 HydrophobicContact CG-CZ 3.86Å |
| 47 | S | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 138 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 109.5 | D29 H60 Y61 I362 H363 | D29-S47 WeakPolarHBondContact CA-O 3.42Å; D29-S47 WeakPolarHBondContact CB-O 3.16Å; D29-S47 PolarHBondContact O-N 3.05Å; S47-H60 PolarHBondContact OG-NE2 2.91Å; S47-Y61 WeakPolarHBondContact CA-O 3.5Å; S47-I362 WeakPolarHBondContact CB-O 3.18Å; S47-I362 WeakPolarHBondContact OG-CB 3.38Å; S47-I362 PolarHBondContact OG-O 3.02Å; S47-H363 PolarHBondContact O-CD2 3.06Å |
| 48 | G | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | -155.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H60 Y61 | G48-H60 WeakPolarHBondContact O-CA 3.12Å; G48-H60 PolarHBondContact O-CD2 3.09Å; G48-H60 VanDerWaalsContact O-CD2 3.26Å; G48-Y61 VanDerWaalsContact C-CD1 3.42Å; G48-Y61 PolarHBondContact N-O 3.48Å; G48-Y61 WeakPolarHBondContact O-CD1 3.5Å; G48-Y61 PolarHBondContact O-N 2.89Å |
| 49 | Y | 95.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.5 | -176 | -68.2 | -92.6 | 0 | 0 | 0 | 112.5 | Q58 L59 H60 F130 Y132 R159 M364 K365 | Y49-Q58 HydrophobicContact CD1-CB 4.09Å; Y49-L59 CarbonylContact C-O 3.58Å; Y49-L59 WeakPolarHBondContact CA-O 3.38Å; Y49-H60 HydrophobicContact CD1-CB 4.39Å; Y49-H60 HydrophobicContact CE1-CB 4.08Å; Y49-F130 WeakPolarHBondContact CE1-O 3.35Å; Y49-F130 PolarHBondContact OH-O 2.85Å; Y49-Y132 HydrophobicContact CD1-CD1 4.25Å; Y49-Y132 AromaticContact CD1-CE1 3.81Å; Y49-Y132 HydrophobicContact CD1-CE1 3.81Å; Y49-Y132 AromaticContact CE1-CD1 3.7Å; Y49-Y132 HydrophobicContact CE1-CD1 3.7Å; Y49-Y132 AromaticContact CE1-CE1 3.51Å; Y49-Y132 HydrophobicContact CE1-CE1 3.51Å; Y49-R159 VanDerWaalsContact O-CZ 3.25Å; Y49-R159 PolarHBondContact O-NH1 2.86Å; Y49-R159 PolarHBondContact O-NH2 3.27Å; Y49-M364 HydrophobicContact CE2-CE 3.97Å; Y49-M364 HydrophobicContact CE2-SD 4.36Å; Y49-M364 PolarHBondContact OH-SD 3.34Å; Y49-K365 HydrophobicContact CE2-CG 4.19Å |
| 50 | L | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.8 | 175.2 | -60.5 | 170.8 | 0 | 0 | 0 | 109.2 | L59 Y61 L122 A152 F156 | L50-L59 PolarHBondContact N-O 2.96Å; L50-L59 PolarHBondContact O-N 2.92Å; L50-Y61 HydrophobicContact CD1-CD1 3.9Å; L50-Y61 HydrophobicContact CD1-CG 3.89Å; L50-Y61 HydrophobicContact CD2-CD1 4.18Å; L50-Y61 HydrophobicContact CD2-CE1 4.21Å; L50-Y61 HydrophobicContact CG-CD1 3.61Å; L50-Y61 HydrophobicContact CG-CE1 4.13Å; L50-Y61 HydrophobicContact CG-CG 4.14Å; L50-L122 HydrophobicContact CD1-CD1 4.21Å; L50-A152 HydrophobicContact CB-CB 3.91Å; L50-A152 HydrophobicContact CD1-CB 4.4Å; L50-F156 HydrophobicContact CD1-CB 3.84Å; L50-F156 HydrophobicContact CD1-CD2 4.36Å; L50-F156 HydrophobicContact CD2-CB 4.01Å |
| 51 | N | 97.3 | Very high | 96 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 21% | 0.209 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136.7 | 175.2 | -63.8 | 26.7 | 0 | 0 | 0 | 109.3 | D55 I57 Q58 H151 A152 N155 | N51-D55 PolarHBondContact ND2-OD1 2.78Å; N51-I57 CarbonylContact C-O 3.58Å; N51-I57 WeakPolarHBondContact CA-O 3.43Å; N51-Q58 VanDerWaalsContact CG-NE2 3.33Å; N51-Q58 PolarHBondContact OD1-NE2 2.94Å; N51-Q58 VanDerWaalsContact OD1-NE2 3.07Å; N51-H151 CarbonylContact O-C 3.59Å; N51-A152 VanDerWaalsContact O-CA 3.3Å; N51-A152 WeakPolarHBondContact O-CA 3.25Å; N51-A152 PolarHBondContact O-N 2.99Å; N51-N155 PolarHBondContact O-ND2 2.93Å |
| 52 | G | 98.1 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | trans | -74.3 | -146.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T54 I57 H151 | G52-T54 PolarHBondContact O-N 2.91Å; G52-I57 PolarHBondContact N-O 3.35Å; G52-H151 VanDerWaalsContact O-CB 3.27Å; G52-H151 WeakPolarHBondContact O-CB 3.24Å | ||
| 53 | S | 97.3 | Very high | 97 | Very high | 34 Ų | 34 | 20.9 Ų | 20.9 | 24% | 0.238 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -67.2 | -20.3 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | F144 N148 | S53-F144 WeakPolarHBondContact OG-CE2 3.39Å; S53-N148 WeakPolarHBondContact CB-OD1 3.4Å; S53-N148 PolarHBondContact N-OD1 3.09Å; S53-N148 PolarHBondContact OG-OD1 2.83Å |
| 54 | T | 95.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 19.8 Ų | 19.8 | 42% | 0.417 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -134.2 | 161.3 | 174.3 | 69.5 | 0 | 0 | 0 | 0 | 109.7 | G52 N56 I57 | G52-T54 PolarHBondContact O-N 2.91Å; T54-N56 PolarHBondContact O-N 2.97Å; T54-N56 WeakPolarHBondContact OG1-CB 3.34Å; T54-N56 PolarHBondContact OG1-N 2.66Å; T54-I57 PolarHBondContact O-N 3.34Å |
| 55 | D | 94.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 17.8 Ų | 17.8 | 66% | 0.663 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -15.3 | 175.5 | -66 | -24.5 | 0 | 0 | 0 | 113.1 | N51 I57 Q58 | N51-D55 PolarHBondContact ND2-OD1 2.78Å; D55-I57 VanDerWaalsContact C-N 3.31Å; D55-Q58 PolarHBondContact O-NE2 3.15Å |
| 56 | N | 96.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 17.5 Ų | 17.5 | 22% | 0.219 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -36.1 | 174.2 | -172.9 | 48.3 | 0 | 0 | 0 | 111.9 | T54 A133 V134 D135 | T54-N56 PolarHBondContact O-N 2.97Å; T54-N56 WeakPolarHBondContact OG1-CB 3.34Å; T54-N56 PolarHBondContact OG1-N 2.66Å; N56-A133 CarbonylContact O-C 3.48Å; N56-A133 VanDerWaalsContact O-CA 3.29Å; N56-A133 WeakPolarHBondContact O-CA 3.19Å; N56-V134 PolarHBondContact O-N 3.09Å; N56-V134 WeakPolarHBondContact OD1-CA 3.49Å; N56-V134 WeakPolarHBondContact OD1-CB 3.19Å; N56-V134 PolarHBondContact OD1-N 2.88Å; N56-D135 PolarHBondContact ND2-OD1 2.74Å; N56-D135 PolarHBondContact ND2-OD2 3.42Å; N56-D135 VanDerWaalsContact OD1-CG 3.29Å; N56-D135 PolarHBondContact OD1-N 3.25Å; N56-D135 PolarHBondContact OD1-OD1 3.12Å |
| 57 | I | 97.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.7 | -174.8 | -57.8 | -55.5 | 0 | 0 | 0 | 109.4 | N51 G52 T54 D55 L59 A126 A133 F144 N148 | N51-I57 CarbonylContact C-O 3.58Å; N51-I57 WeakPolarHBondContact CA-O 3.43Å; G52-I57 PolarHBondContact N-O 3.35Å; T54-I57 PolarHBondContact O-N 3.34Å; D55-I57 VanDerWaalsContact C-N 3.31Å; I57-L59 HydrophobicContact CG2-CD2 3.81Å; I57-L59 HydrophobicContact CG2-CG 4.08Å; I57-A126 HydrophobicContact CD1-CB 4.07Å; I57-A126 HydrophobicContact CG2-CB 4.2Å; I57-A133 HydrophobicContact CD1-CB 4.16Å; I57-F144 HydrophobicContact CG1-CZ 4.38Å; I57-N148 HydrophobicContact CG2-CB 4.22Å |
| 58 | Q | 96.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 26.7 Ų | 26.7 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.9 | -178.3 | -62.3 | -71.7 | -50.8 | 0 | 0 | 108.9 | Y49 N51 D55 S131 Y132 V134 | Y49-Q58 HydrophobicContact CD1-CB 4.09Å; N51-Q58 VanDerWaalsContact CG-NE2 3.33Å; N51-Q58 PolarHBondContact OD1-NE2 2.94Å; N51-Q58 VanDerWaalsContact OD1-NE2 3.07Å; D55-Q58 PolarHBondContact O-NE2 3.15Å; Q58-S131 CarbonylContact O-C 3.53Å; Q58-S131 WeakPolarHBondContact O-CA 3.26Å; Q58-Y132 HydrophobicContact CB-CD1 3.92Å; Q58-Y132 HydrophobicContact CB-CD2 4.4Å; Q58-Y132 HydrophobicContact CB-CE1 3.55Å; Q58-Y132 HydrophobicContact CB-CE2 4.07Å; Q58-Y132 HydrophobicContact CB-CG 4.32Å; Q58-Y132 HydrophobicContact CG-CE1 4.11Å; Q58-Y132 HydrophobicContact CG-CE2 3.93Å; Q58-Y132 PolarHBondContact N-O 3.49Å; Q58-Y132 PolarHBondContact O-N 3.45Å; Q58-V134 HydrophobicContact CG-CG2 4.2Å |
| 59 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.7 | -178.6 | -56.3 | -173.6 | 0 | 0 | 0 | 110.5 | Y49 L50 I57 L122 A124 A126 S131 N149 A152 | Y49-L59 CarbonylContact C-O 3.58Å; Y49-L59 WeakPolarHBondContact CA-O 3.38Å; L50-L59 PolarHBondContact N-O 2.96Å; L50-L59 PolarHBondContact O-N 2.92Å; I57-L59 HydrophobicContact CG2-CD2 3.81Å; I57-L59 HydrophobicContact CG2-CG 4.08Å; L59-L122 HydrophobicContact CB-CD1 3.93Å; L59-L122 HydrophobicContact CD1-CD1 4.49Å; L59-L122 HydrophobicContact CD1-CD2 4.29Å; L59-A124 HydrophobicContact CD1-CB 4.33Å; L59-A126 HydrophobicContact CD2-CB 4.46Å; L59-S131 WeakPolarHBondContact CA-OG 3.34Å; L59-N149 WeakPolarHBondContact CD1-OD1 3.42Å; L59-A152 HydrophobicContact CD1-CB 3.91Å |
| 60 | H | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 138.1 | 172 | 173.8 | -104.5 | 0 | 0 | 0 | 110.3 | S47 G48 Y49 E123 F130 S131 M364 | S47-H60 PolarHBondContact OG-NE2 2.91Å; G48-H60 WeakPolarHBondContact O-CA 3.12Å; G48-H60 PolarHBondContact O-CD2 3.09Å; G48-H60 VanDerWaalsContact O-CD2 3.26Å; Y49-H60 HydrophobicContact CD1-CB 4.39Å; Y49-H60 HydrophobicContact CE1-CB 4.08Å; H60-E123 HydrophobicContact CB-CB 4.38Å; H60-E123 VanDerWaalsContact CB-OE2 3.29Å; H60-E123 WeakPolarHBondContact CB-OE2 3.27Å; H60-E123 IonicContact CG-OE2 2.67Å; H60-E123 IonicContact ND1-OE2 2.57Å; H60-E123 PolarHBondContact ND1-OE2 2.99Å; H60-E123 PolarHBondContact O-N 2.82Å; H60-F130 HydrophobicContact CB-CB 3.68Å; H60-F130 AromaticContact ND1-CD2 3.94Å; H60-S131 PolarHBondContact N-OG 3.32Å; H60-M364 WeakPolarHBondContact CD2-CE 2.99Å; H60-M364 WeakPolarHBondContact NE2-CE 3.3Å |
| 61 | Y | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 154.4 | 173.8 | 81.9 | -78.1 | 0 | 0 | 0 | 110.6 | D29 F46 S47 G48 L50 L63 L120 Y121 F160 | D29-Y61 VanDerWaalsContact CB-OH 3.31Å; D29-Y61 WeakPolarHBondContact CB-OH 3.29Å; D29-Y61 WeakPolarHBondContact OD2-CE1 3.41Å; D29-Y61 PolarHBondContact OD2-OH 3.26Å; F46-Y61 HydrophobicContact CB-CE2 4.32Å; S47-Y61 WeakPolarHBondContact CA-O 3.5Å; G48-Y61 VanDerWaalsContact C-CD1 3.42Å; G48-Y61 PolarHBondContact N-O 3.48Å; G48-Y61 WeakPolarHBondContact O-CD1 3.5Å; G48-Y61 PolarHBondContact O-N 2.89Å; L50-Y61 HydrophobicContact CD1-CD1 3.9Å; L50-Y61 HydrophobicContact CD1-CG 3.89Å; L50-Y61 HydrophobicContact CD2-CD1 4.18Å; L50-Y61 HydrophobicContact CD2-CE1 4.21Å; L50-Y61 HydrophobicContact CG-CD1 3.61Å; L50-Y61 HydrophobicContact CG-CE1 4.13Å; L50-Y61 HydrophobicContact CG-CG 4.14Å; Y61-L63 HydrophobicContact CD2-CB 4.22Å; Y61-L63 HydrophobicContact CE2-CB 4.02Å; Y61-L120 HydrophobicContact CD2-CD1 3.44Å; Y61-L120 VanDerWaalsContact CD2-CD1 3.44Å; Y61-L120 HydrophobicContact CE2-CD1 4.41Å; Y61-L120 HydrophobicContact CG-CD1 4.03Å; Y61-Y121 CarbonylContact C-O 3.47Å; Y61-Y121 VanDerWaalsContact CA-O 3.27Å; Y61-Y121 WeakPolarHBondContact CA-O 3.47Å; Y61-F160 AromaticContact CE2-CE2 3.85Å; Y61-F160 HydrophobicContact CE2-CE2 3.85Å; Y61-F160 HydrophobicContact CE2-CZ 4.06Å; Y61-F160 AromaticContact CZ-CE2 3.8Å; Y61-F160 VanDerWaalsContact OH-CE2 3.26Å; Y61-F160 WeakPolarHBondContact OH-CE2 3.48Å; Y61-F160 VanDerWaalsContact OH-CZ 3.25Å; Y61-F160 WeakPolarHBondContact OH-CZ 3.45Å |
| 62 | W | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 112.6 | 166.3 | -156.4 | -40.3 | 0 | 0 | 0 | 109.2 | L34 F46 M88 L91 F92 Y121 L353 I362 | L34-W62 HydrophobicContact CD1-CH2 3.64Å; L34-W62 HydrophobicContact CD1-CZ2 3.92Å; L34-W62 HydrophobicContact CD2-CH2 3.84Å; L34-W62 HydrophobicContact CD2-CZ2 3.8Å; L34-W62 HydrophobicContact CG-CH2 4.42Å; L34-W62 HydrophobicContact CG-CZ2 4.48Å; F46-W62 CarbonylContact O-C 3.54Å; F46-W62 VanDerWaalsContact O-CA 3.31Å; F46-W62 WeakPolarHBondContact O-CA 3.1Å; W62-M88 HydrophobicContact CB-CE 3.89Å; W62-M88 HydrophobicContact CB-SD 4.17Å; W62-M88 HydrophobicContact CD2-SD 4.38Å; W62-M88 HydrophobicContact CE3-SD 3.54Å; W62-M88 VanDerWaalsContact CE3-SD 3.54Å; W62-M88 HydrophobicContact CZ3-SD 4.27Å; W62-L91 HydrophobicContact CB-CD1 3.92Å; W62-L91 HydrophobicContact CD2-CD1 3.85Å; W62-L91 HydrophobicContact CE3-CD1 4.23Å; W62-L91 HydrophobicContact CG-CD1 3.72Å; W62-F92 HydrophobicContact CH2-CE2 4.4Å; W62-F92 AromaticContact CH2-CZ 3.69Å; W62-F92 HydrophobicContact CH2-CZ 3.69Å; W62-F92 AromaticContact CZ3-CE2 3.92Å; W62-F92 HydrophobicContact CZ3-CE2 3.92Å; W62-F92 AromaticContact CZ3-CZ 3.68Å; W62-F92 HydrophobicContact CZ3-CZ 3.68Å; W62-Y121 PolarHBondContact N-O 3.11Å; W62-Y121 WeakPolarHBondContact O-CD2 3.22Å; W62-Y121 PolarHBondContact O-N 2.67Å; W62-L353 HydrophobicContact CZ3-CD2 4.34Å; W62-I362 HydrophobicContact CE3-CG2 4.36Å; W62-I362 HydrophobicContact CH2-CB 4.48Å; W62-I362 HydrophobicContact CH2-CG2 3.33Å; W62-I362 HydrophobicContact CZ2-CG2 3.85Å; W62-I362 HydrophobicContact CZ3-CB 4.39Å; W62-I362 HydrophobicContact CZ3-CD1 4.2Å; W62-I362 HydrophobicContact CZ3-CG2 3.62Å |
| 63 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128 | 172.2 | 176.8 | 67.4 | 0 | 0 | 0 | 109.3 | Q45 F46 Y61 E65 L75 N118 L120 F156 F160 Y163 | Q45-L63 CarbonylContact C-O 3.55Å; Q45-L63 WeakPolarHBondContact CA-O 3.3Å; Q45-L63 WeakPolarHBondContact CB-O 3.29Å; F46-L63 HydrophobicContact CB-CB 4.32Å; F46-L63 HydrophobicContact CD2-CB 4.46Å; F46-L63 HydrophobicContact CD2-CD2 3.93Å; F46-L63 HydrophobicContact CD2-CG 4.38Å; F46-L63 PolarHBondContact N-O 3.09Å; F46-L63 PolarHBondContact O-N 3.31Å; Y61-L63 HydrophobicContact CD2-CB 4.22Å; Y61-L63 HydrophobicContact CE2-CB 4.02Å; L63-E65 HydrophobicContact CD2-CG 4.5Å; L63-L75 HydrophobicContact CD1-CD1 4.11Å; L63-N118 HydrophobicContact CD1-CB 4.35Å; L63-L120 HydrophobicContact CB-CD1 4.22Å; L63-L120 HydrophobicContact CD1-CB 4.26Å; L63-F156 HydrophobicContact CD1-CE2 4.5Å; L63-F156 HydrophobicContact CD1-CZ 4.33Å; L63-F156 HydrophobicContact CD2-CE2 4.04Å; L63-F156 HydrophobicContact CD2-CZ 4.07Å; L63-F160 HydrophobicContact CD2-CD1 4.1Å; L63-F160 HydrophobicContact CD2-CE1 3.87Å; L63-F160 HydrophobicContact CD2-CZ 4.18Å; L63-Y163 HydrophobicContact CD2-CE2 3.92Å |
| 64 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 112.7 | 170.6 | -173.7 | 0 | 0 | 0 | 0 | 107.8 | F43 L91 P97 N114 N118 V119 Y121 | F43-V64 HydrophobicContact CD2-CG1 3.65Å; F43-V64 HydrophobicContact CE2-CG1 3.39Å; F43-V64 HydrophobicContact CZ-CG1 4.2Å; V64-L91 HydrophobicContact CG2-CD1 4.2Å; V64-P97 HydrophobicContact CG1-CG 3.91Å; V64-P97 HydrophobicContact CG2-CG 4.5Å; V64-N114 HydrophobicContact CB-CB 4.47Å; V64-N114 HydrophobicContact CG1-CB 3.87Å; V64-N114 WeakPolarHBondContact CG1-ND2 3.31Å; V64-N118 CarbonylContact O-C 3.46Å; V64-N118 WeakPolarHBondContact O-CA 3.48Å; V64-V119 PolarHBondContact N-O 3.1Å; V64-V119 PolarHBondContact O-N 2.82Å; V64-Y121 HydrophobicContact CG2-CD2 4.41Å; V64-Y121 HydrophobicContact CG2-CE2 4.07Å |
| 65 | E | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | trans | -69.3 | 156 | -179.1 | -71.7 | -171.8 | 169.5 | 0 | 0 | 111.6 | K26 N44 F46 L63 P70 N114 N118 | K26-E65 IonicContact NZ-OE1 3.53Å; K26-E65 PolarHBondContact NZ-OE1 3.1Å; N44-E65 HydrophobicContact CB-CB 4.5Å; N44-E65 HydrophobicContact CB-CG 4.3Å; N44-E65 VanDerWaalsContact CB-OE2 3.3Å; N44-E65 WeakPolarHBondContact CB-OE2 3.21Å; N44-E65 PolarHBondContact ND2-OE2 3.38Å; N44-E65 WeakPolarHBondContact O-CB 3.35Å; N44-E65 PolarHBondContact O-N 2.94Å; F46-E65 HydrophobicContact CE2-CG 4.06Å; F46-E65 WeakPolarHBondContact CE2-OE1 3.38Å; L63-E65 HydrophobicContact CD2-CG 4.5Å; E65-P70 HydrophobicContact CB-CB 3.95Å; E65-P70 HydrophobicContact CG-CB 4.45Å; E65-N114 PolarHBondContact O-ND2 2.9Å; E65-N114 VanDerWaalsContact O-ND2 3.09Å; E65-N118 VanDerWaalsContact CA-OD1 3.27Å; E65-N118 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 66 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | trans | -63.6 | 141.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | F68 P70 A73 N114 A117 N118 | A66-F68 VanDerWaalsContact C-N 3.26Å; A66-F68 PolarHBondContact O-N 2.86Å; A66-P70 HydrophobicContact CB-CB 4.28Å; A66-A73 HydrophobicContact CB-CB 3.52Å; A66-N114 CarbonylContact C-O 3.51Å; A66-N114 WeakPolarHBondContact CA-O 3.36Å; A66-A117 WeakPolarHBondContact CA-O 3.48Å; A66-A117 WeakPolarHBondContact CB-O 3.39Å; A66-N118 PolarHBondContact N-OD1 2.88Å | ||
| 67 | V | 97 | Very high | 97.8 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 28% | 0.279 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -63.1 | -36 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | F43 N114 K115 | F43-V67 HydrophobicContact CD1-CG2 3.91Å; F43-V67 HydrophobicContact CE1-CG2 4.42Å; V67-N114 WeakPolarHBondContact CG2-ND2 3.33Å; V67-N114 PolarHBondContact N-O 3.17Å; V67-K115 HydrophobicContact CG2-CG 4.23Å |
| 68 | F | 95.4 | Very high | 97.8 | Very high | 151 Ų | 151 | 30.8 Ų | 30.8 | 66% | 0.662 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -117.1 | 122.4 | -178.9 | -61.5 | -74.9 | 0 | 0 | 0 | 110.1 | A66 | A66-F68 VanDerWaalsContact C-N 3.26Å; A66-F68 PolarHBondContact O-N 2.86Å |
| 69 | K | 96.6 | Very high | 97.9 | Very high | 115 Ų | 115 | 30.1 Ų | 30.1 | 50% | 0.5 | 15% | 0.148 | S | C | . | . | trans | 47.4 | 61 | 175.1 | -59.9 | 178 | 157.1 | -142.6 | 0 | 113.5 | E71 E72 A73 | K69-E71 VanDerWaalsContact C-OE2 3.28Å; K69-E71 WeakPolarHBondContact CA-OE2 3.3Å; K69-E71 PolarHBondContact O-N 3.05Å; K69-E71 VanDerWaalsContact O-N 3.1Å; K69-E72 HydrophobicContact CB-CB 4.12Å; K69-E72 HydrophobicContact CB-CG 4.45Å; K69-E72 WeakPolarHBondContact CD-OE2 3.33Å; K69-E72 IonicContact NZ-OE1 3.75Å; K69-E72 PolarHBondContact NZ-OE1 3.01Å; K69-E72 IonicContact NZ-OE2 3.46Å; K69-E72 PolarHBondContact NZ-OE2 3.41Å; K69-E72 PolarHBondContact O-N 3.03Å; K69-A73 PolarHBondContact O-N 3.15Å | ||
| 70 | P | 97.5 | Very high | 98 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 21% | 0.214 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | -179.9 | 25.3 | -35.8 | 0 | 0 | 0 | 113.4 | E65 A66 E72 N118 | E65-P70 HydrophobicContact CB-CB 3.95Å; E65-P70 HydrophobicContact CG-CB 4.45Å; A66-P70 HydrophobicContact CB-CB 4.28Å; P70-E72 VanDerWaalsContact C-N 3.27Å; P70-E72 PolarHBondContact O-N 3.19Å; P70-N118 WeakPolarHBondContact CB-OD1 3.41Å; P70-N118 PolarHBondContact O-ND2 3.29Å |
| 71 | E | 96.8 | Very high | 98 | Very high | 112 Ų | 112 | 30.5 Ų | 30.5 | 52% | 0.523 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.2 | 175.4 | 74.1 | -69.6 | 166.7 | 0 | 0 | 114.9 | K69 R166 | K69-E71 VanDerWaalsContact C-OE2 3.28Å; K69-E71 WeakPolarHBondContact CA-OE2 3.3Å; K69-E71 PolarHBondContact O-N 3.05Å; K69-E71 VanDerWaalsContact O-N 3.1Å; E71-R166 VanDerWaalsContact C-NH1 3.29Å; E71-R166 PolarHBondContact O-NH1 3.42Å; E71-R166 PolarHBondContact O-NH2 3.06Å |
| 72 | E | 96.8 | Very high | 97.9 | Very high | 116 Ų | 116 | 30.8 Ų | 30.8 | 54% | 0.542 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -36.7 | 174.8 | -69.3 | 179 | -151.2 | 0 | 0 | 111.4 | K69 P70 R166 | K69-E72 HydrophobicContact CB-CB 4.12Å; K69-E72 HydrophobicContact CB-CG 4.45Å; K69-E72 WeakPolarHBondContact CD-OE2 3.33Å; K69-E72 IonicContact NZ-OE1 3.75Å; K69-E72 PolarHBondContact NZ-OE1 3.01Å; K69-E72 IonicContact NZ-OE2 3.46Å; K69-E72 PolarHBondContact NZ-OE2 3.41Å; K69-E72 PolarHBondContact O-N 3.03Å; P70-E72 VanDerWaalsContact C-N 3.27Å; P70-E72 PolarHBondContact O-N 3.19Å; E72-R166 VanDerWaalsContact C-NH1 3.33Å; E72-R166 VanDerWaalsContact CA-NH1 3.31Å; E72-R166 PolarHBondContact O-NH1 3.31Å; E72-R166 VanDerWaalsContact O-NH1 3.15Å |
| 73 | A | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -59.4 | 146.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A66 K69 N118 R166 | A66-A73 HydrophobicContact CB-CB 3.52Å; K69-A73 PolarHBondContact O-N 3.15Å; A73-N118 PolarHBondContact O-ND2 3.34Å; A73-N118 VanDerWaalsContact O-ND2 3.09Å; A73-R166 WeakPolarHBondContact O-CD 3.33Å |
| 74 | P | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 19% | 0.188 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 161 | 179 | 28.5 | -35.3 | 0 | 0 | 0 | 111.9 | A117 N118 D167 Y169 | P74-A117 HydrophobicContact CG-CB 4.01Å; P74-A117 WeakPolarHBondContact O-CB 3.25Å; P74-N118 PolarHBondContact O-N 3.1Å; P74-D167 CarbonylContact C-O 3.58Å; P74-D167 VanDerWaalsContact CA-O 3.31Å; P74-D167 WeakPolarHBondContact CA-O 3.26Å; P74-D167 HydrophobicContact CB-CB 4.19Å; P74-D167 VanDerWaalsContact CB-O 3.29Å; P74-D167 WeakPolarHBondContact CB-O 3.44Å; P74-Y169 HydrophobicContact CB-CD2 4.13Å; P74-Y169 HydrophobicContact CB-CE2 3.97Å |
| 75 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.6 | 168.4 | 179.6 | 68 | 0 | 0 | 0 | 109 | L63 N118 L120 F156 Y163 R166 D167 F168 Y169 | L63-L75 HydrophobicContact CD1-CD1 4.11Å; L75-N118 CarbonylContact C-O 3.6Å; L75-N118 WeakPolarHBondContact CA-O 3.2Å; L75-N118 HydrophobicContact CD1-CB 4.26Å; L75-L120 HydrophobicContact CD1-CB 4.16Å; L75-F156 HydrophobicContact CD1-CE1 4.37Å; L75-F156 HydrophobicContact CD1-CZ 4.23Å; L75-F156 HydrophobicContact CD2-CD1 4.39Å; L75-F156 HydrophobicContact CD2-CE1 3.68Å; L75-F156 HydrophobicContact CD2-CZ 4.36Å; L75-Y163 HydrophobicContact CB-CD1 4.12Å; L75-Y163 HydrophobicContact CD1-CD1 4.3Å; L75-Y163 HydrophobicContact CD1-CE1 4.3Å; L75-Y163 HydrophobicContact CD2-CD1 4.44Å; L75-Y163 HydrophobicContact CD2-CG 4.44Å; L75-R166 HydrophobicContact CB-CG 4.18Å; L75-D167 PolarHBondContact N-O 2.72Å; L75-F168 HydrophobicContact CB-CD2 3.94Å; L75-F168 HydrophobicContact CD2-CD2 3.74Å; L75-F168 HydrophobicContact CD2-CE2 3.92Å; L75-F168 HydrophobicContact CG-CD2 3.75Å; L75-F168 HydrophobicContact CG-CE2 3.99Å; L75-F168 CarbonylContact O-C 3.57Å; L75-F168 WeakPolarHBondContact O-CA 3.36Å; L75-F168 WeakPolarHBondContact O-CD2 3.49Å; L75-Y169 PolarHBondContact O-N 2.9Å |
| 76 | V | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.3 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | W113 A117 N118 V119 L120 Y169 T171 L491 | V76-W113 HydrophobicContact CG1-CE3 4.42Å; V76-A117 HydrophobicContact CB-CB 4.05Å; V76-A117 HydrophobicContact CG2-CB 3.38Å; V76-N118 PolarHBondContact N-O 2.89Å; V76-V119 CarbonylContact O-C 3.59Å; V76-V119 WeakPolarHBondContact O-CA 3.42Å; V76-L120 PolarHBondContact O-N 3.38Å; V76-Y169 WeakPolarHBondContact CA-O 3.48Å; V76-Y169 HydrophobicContact CG2-CD2 4.43Å; V76-T171 HydrophobicContact CG1-CG2 3.85Å; V76-L491 HydrophobicContact CG2-CD1 4.29Å; V76-L491 HydrophobicContact CG2-CD2 4.06Å |
| 77 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 135.5 | 169 | 170.6 | 65.7 | 0 | 0 | 0 | 109.3 | L79 L120 L122 L153 F168 Y169 I170 T171 L183 | L77-L79 HydrophobicContact CD1-CD2 4.12Å; L77-L79 HydrophobicContact CD1-CG 4.43Å; L77-L79 HydrophobicContact CD2-CD1 4.26Å; L77-L79 HydrophobicContact CD2-CD2 4.49Å; L77-L79 HydrophobicContact CD2-CG 4.31Å; L77-L79 HydrophobicContact CG-CD2 4.39Å; L77-L79 HydrophobicContact CG-CG 4.18Å; L77-L120 CarbonylContact C-O 3.28Å; L77-L120 WeakPolarHBondContact CA-O 3.17Å; L77-L120 HydrophobicContact CD1-CD2 4.21Å; L77-L120 HydrophobicContact CD1-CG 4.15Å; L77-L120 WeakPolarHBondContact CD1-O 3.3Å; L77-L122 HydrophobicContact CD1-CB 3.7Å; L77-L122 HydrophobicContact CD1-CD2 4.44Å; L77-L153 HydrophobicContact CD2-CD1 4.25Å; L77-L153 HydrophobicContact CD2-CD2 4.28Å; L77-F168 HydrophobicContact CB-CE2 3.77Å; L77-F168 HydrophobicContact CB-CZ 3.79Å; L77-F168 HydrophobicContact CD2-CZ 4.28Å; L77-Y169 PolarHBondContact N-O 3.28Å; L77-I170 HydrophobicContact CD2-CG2 4.08Å; L77-T171 CarbonylContact O-C 3.46Å; L77-T171 WeakPolarHBondContact O-CA 3.46Å; L77-T171 WeakPolarHBondContact O-CB 3.5Å; L77-T171 PolarHBondContact O-N 2.67Å; L77-T171 PolarHBondContact O-OG1 2.76Å; L77-L183 HydrophobicContact CD2-CD2 3.41Å; L77-L183 VanDerWaalsContact CD2-CD2 3.41Å |
| 78 | W | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.9 | 171.8 | 179.6 | -90 | 0 | 0 | 0 | 111 | N80 E94 N95 W113 V119 L120 Y121 L122 T171 E173 P476 | W78-N80 PolarHBondContact NE1-OD1 3.22Å; W78-E94 WeakPolarHBondContact CZ2-OE2 3.49Å; W78-N95 VanDerWaalsContact CE3-ND2 3.28Å; W78-N95 WeakPolarHBondContact CH2-ND2 3.35Å; W78-N95 VanDerWaalsContact CZ2-ND2 3.3Å; W78-N95 WeakPolarHBondContact CZ2-ND2 3.46Å; W78-N95 WeakPolarHBondContact CZ3-ND2 3.39Å; W78-W113 HydrophobicContact CE3-CE3 4.38Å; W78-W113 HydrophobicContact CE3-CH2 4.12Å; W78-W113 AromaticContact CE3-CZ3 3.76Å; W78-W113 HydrophobicContact CE3-CZ3 3.76Å; W78-W113 AromaticContact CZ3-CH2 3.59Å; W78-W113 HydrophobicContact CZ3-CH2 3.59Å; W78-W113 HydrophobicContact CZ3-CZ2 4.32Å; W78-W113 AromaticContact CZ3-CZ3 3.75Å; W78-W113 HydrophobicContact CZ3-CZ3 3.75Å; W78-V119 HydrophobicContact CB-CG1 4.4Å; W78-L120 PolarHBondContact N-O 2.74Å; W78-Y121 HydrophobicContact CB-CD1 3.88Å; W78-Y121 HydrophobicContact CB-CE1 4.08Å; W78-Y121 AromaticContact CD1-CD1 3.55Å; W78-Y121 AromaticContact CD1-CE1 3.88Å; W78-Y121 AromaticContact CG-CD1 3.9Å; W78-Y121 HydrophobicContact CG-CD1 3.9Å; W78-Y121 AromaticContact CG-CE1 3.98Å; W78-Y121 HydrophobicContact CG-CE1 3.98Å; W78-L122 PolarHBondContact O-N 2.87Å; W78-T171 WeakPolarHBondContact CA-O 3.42Å; W78-E173 HydrophobicContact CH2-CB 4.22Å; W78-E173 HydrophobicContact CZ2-CB 4.14Å; W78-P476 HydrophobicContact CH2-CG 4.26Å |
| 79 | L | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.3 | 178.3 | -61.6 | 175.3 | 0 | 0 | 0 | 110.4 | L77 S87 L122 T171 G172 E173 A176 V180 L183 | L77-L79 HydrophobicContact CD1-CD2 4.12Å; L77-L79 HydrophobicContact CD1-CG 4.43Å; L77-L79 HydrophobicContact CD2-CD1 4.26Å; L77-L79 HydrophobicContact CD2-CD2 4.49Å; L77-L79 HydrophobicContact CD2-CG 4.31Å; L77-L79 HydrophobicContact CG-CD2 4.39Å; L77-L79 HydrophobicContact CG-CG 4.18Å; L79-S87 WeakPolarHBondContact CA-OG 3.29Å; L79-L122 HydrophobicContact CD2-CB 3.91Å; L79-L122 HydrophobicContact CD2-CD2 4.27Å; L79-L122 HydrophobicContact CD2-CG 4.48Å; L79-T171 PolarHBondContact N-O 3.08Å; L79-T171 VanDerWaalsContact N-O 3.08Å; L79-G172 CarbonylContact O-C 3.56Å; L79-G172 WeakPolarHBondContact O-CA 3.38Å; L79-E173 PolarHBondContact O-N 2.83Å; L79-A176 HydrophobicContact CB-CB 4.2Å; L79-A176 WeakPolarHBondContact O-CB 3.41Å; L79-V180 HydrophobicContact CD1-CG2 4.4Å; L79-L183 HydrophobicContact CD1-CD2 4.28Å |
| 80 | N | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | trans | -73.8 | 170.5 | 163.9 | -76.1 | 71.6 | 0 | 0 | 0 | 110.3 | W78 S86 S87 E89 G90 E94 | W78-N80 PolarHBondContact NE1-OD1 3.22Å; N80-S86 WeakPolarHBondContact CB-O 3.37Å; N80-S87 PolarHBondContact N-OG 2.87Å; N80-S87 VanDerWaalsContact N-OG 3.1Å; N80-S87 VanDerWaalsContact OD1-CA 3.31Å; N80-S87 WeakPolarHBondContact OD1-CA 3.23Å; N80-E89 PolarHBondContact ND2-OE2 3.11Å; N80-G90 PolarHBondContact OD1-N 3.39Å; N80-E94 PolarHBondContact ND2-OE1 3.32Å | ||
| 81 | G | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | trans | -101.7 | -112.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P83 G84 C85 E173 | G81-P83 CarbonylContact O-C 3.52Å; G81-P83 WeakPolarHBondContact O-CA 2.84Å; G81-G84 PolarHBondContact O-N 3.46Å; G81-C85 PolarHBondContact O-N 3.07Å; G81-E173 PolarHBondContact N-O 2.79Å | ||
| 82 | G | 96.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 9.5 Ų | 9.5 | 7% | 0.072 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -99.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C85 N313 | G82-C85 VanDerWaalsContact CA-SG 3.6Å; G82-N313 PolarHBondContact O-ND2 2.64Å |
| 83 | P | 97 | Very high | 97.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -69.5 | 152.2 | 10.4 | 30.5 | -36.6 | 0 | 0 | 0 | 112.5 | G81 Y175 Y179 M380 Y383 R385 | G81-P83 CarbonylContact O-C 3.52Å; G81-P83 WeakPolarHBondContact O-CA 2.84Å; P83-Y175 HydrophobicContact CB-CD1 4.06Å; P83-Y175 HydrophobicContact CB-CE1 4.22Å; P83-Y175 HydrophobicContact CB-CG 4.31Å; P83-Y175 HydrophobicContact CG-CD2 4.45Å; P83-Y175 HydrophobicContact CG-CE2 4.36Å; P83-Y179 VanDerWaalsContact CA-OH 3.28Å; P83-Y179 WeakPolarHBondContact CA-OH 3.38Å; P83-Y179 WeakPolarHBondContact CB-OH 3.34Å; P83-M380 WeakPolarHBondContact O-CB 3.36Å; P83-Y383 HydrophobicContact CB-CD1 3.93Å; P83-Y383 HydrophobicContact CB-CD2 3.8Å; P83-Y383 HydrophobicContact CB-CE1 4.25Å; P83-Y383 HydrophobicContact CB-CE2 4.13Å; P83-Y383 HydrophobicContact CB-CG 3.71Å; P83-Y383 HydrophobicContact CG-CD1 3.87Å; P83-Y383 HydrophobicContact CG-CD2 4.34Å; P83-Y383 HydrophobicContact CG-CG 3.76Å; P83-R385 VanDerWaalsContact CD-NH2 3.33Å |
| 84 | G | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | 7.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G81 C375 S376 | G81-G84 PolarHBondContact O-N 3.46Å; G84-C375 CarbonylContact O-C 3.6Å; G84-C375 VanDerWaalsContact O-CA 3.27Å; G84-C375 WeakPolarHBondContact O-CA 3.34Å; G84-S376 PolarHBondContact O-N 3.45Å |
| 85 | C | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 3.1 Ų | 3.1 | 3% | 0.027 | 2% | 0.02 | C | C | . | . | B | Isolated β-bridge | trans | -96.9 | 146.1 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | G81 G82 V128 F311 E374 C375 | G81-C85 PolarHBondContact O-N 3.07Å; G82-C85 VanDerWaalsContact CA-SG 3.6Å; C85-V128 VanDerWaalsContact C-CG1 3.42Å; C85-V128 WeakPolarHBondContact O-CG1 3.36Å; C85-F311 WeakPolarHBondContact SG-CE1 3.23Å; C85-E374 CarbonylContact C-O 3.51Å; C85-E374 VanDerWaalsContact CA-O 3.31Å; C85-E374 WeakPolarHBondContact CA-O 3.25Å; C85-C375 HydrophobicContact CB-CB 4.12Å; C85-C375 WeakPolarHBondContact CB-SG 3.47Å; C85-C375 WeakPolarHBondContact SG-CB 3.43Å; C85-C375 CovalentContact SG-SG 2.05Å; C85-C375 PolarHBondContact SG-SG 2.71Å |
| 86 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.02 | C | C | . | . | trans | -76.9 | 141.2 | -175.2 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | N80 M88 E89 E123 W372 E374 | N80-S86 WeakPolarHBondContact CB-O 3.37Å; S86-M88 PolarHBondContact O-N 3.07Å; S86-M88 WeakPolarHBondContact OG-CB 3.43Å; S86-M88 WeakPolarHBondContact OG-CG 3.39Å; S86-M88 PolarHBondContact OG-N 2.99Å; S86-E89 WeakPolarHBondContact O-CB 3.16Å; S86-E89 PolarHBondContact O-N 2.97Å; S86-E123 WeakPolarHBondContact CB-OE1 3.44Å; S86-E123 WeakPolarHBondContact OG-CG 3.24Å; S86-E123 PolarHBondContact OG-OE1 3.2Å; S86-W372 VanDerWaalsContact CB-CZ2 3.48Å; S86-W372 WeakPolarHBondContact OG-CZ2 3.28Å; S86-E374 PolarHBondContact N-O 2.76Å | ||
| 87 | S | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 3.2 Ų | 3.2 | 1% | 0.014 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -4.3 | 170.1 | -58.3 | 0 | 0 | 0 | 0 | 114 | L79 N80 E89 G90 L91 Y121 L122 | L79-S87 WeakPolarHBondContact CA-OG 3.29Å; N80-S87 PolarHBondContact N-OG 2.87Å; N80-S87 VanDerWaalsContact N-OG 3.1Å; N80-S87 VanDerWaalsContact OD1-CA 3.31Å; N80-S87 WeakPolarHBondContact OD1-CA 3.23Å; S87-E89 VanDerWaalsContact C-N 3.25Å; S87-G90 PolarHBondContact O-N 3.37Å; S87-L91 PolarHBondContact O-N 3.05Å; S87-Y121 WeakPolarHBondContact O-CD1 3.15Å; S87-L122 VanDerWaalsContact CB-O 3.24Å; S87-L122 WeakPolarHBondContact CB-O 3.26Å; S87-L122 PolarHBondContact OG-O 3.33Å |
| 88 | M | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -73 | -22.6 | 171.2 | -59.4 | -62.4 | 97.9 | 0 | 0 | 111.5 | W62 S86 G90 L91 F92 Y121 E123 L353 W372 | W62-M88 HydrophobicContact CB-CE 3.89Å; W62-M88 HydrophobicContact CB-SD 4.17Å; W62-M88 HydrophobicContact CD2-SD 4.38Å; W62-M88 HydrophobicContact CE3-SD 3.54Å; W62-M88 VanDerWaalsContact CE3-SD 3.54Å; W62-M88 HydrophobicContact CZ3-SD 4.27Å; S86-M88 PolarHBondContact O-N 3.07Å; S86-M88 WeakPolarHBondContact OG-CB 3.43Å; S86-M88 WeakPolarHBondContact OG-CG 3.39Å; S86-M88 PolarHBondContact OG-N 2.99Å; M88-G90 VanDerWaalsContact C-N 3.34Å; M88-L91 HydrophobicContact CE-CD1 4.43Å; M88-L91 PolarHBondContact O-N 2.87Å; M88-L91 HydrophobicContact SD-CD1 4.33Å; M88-F92 HydrophobicContact CB-CD2 4.11Å; M88-F92 HydrophobicContact CB-CE2 4.3Å; M88-F92 WeakPolarHBondContact O-CB 3.47Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.41Å; M88-F92 PolarHBondContact O-N 3.08Å; M88-F92 HydrophobicContact SD-CE2 4.44Å; M88-Y121 VanDerWaalsContact CE-CB 3.46Å; M88-Y121 HydrophobicContact CE-CG 4.44Å; M88-E123 HydrophobicContact CE-CG 4.15Å; M88-E123 HydrophobicContact CG-CG 4.08Å; M88-E123 VanDerWaalsContact CG-OE1 3.28Å; M88-E123 WeakPolarHBondContact CG-OE1 3.46Å; M88-L353 HydrophobicContact CB-CD1 3.82Å; M88-L353 HydrophobicContact CG-CD1 4.09Å; M88-W372 HydrophobicContact CB-CZ2 3.9Å |
| 89 | E | 95.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 6.5 Ų | 6.5 | 5% | 0.047 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -51.2 | -56.3 | 166.1 | -171.7 | 178.4 | -162.3 | 0 | 0 | 110.1 | N80 S86 S87 L91 F92 T93 L341 E374 R477 | N80-E89 PolarHBondContact ND2-OE2 3.11Å; S86-E89 WeakPolarHBondContact O-CB 3.16Å; S86-E89 PolarHBondContact O-N 2.97Å; S87-E89 VanDerWaalsContact C-N 3.25Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 PolarHBondContact O-N 3.18Å; E89-F92 PolarHBondContact O-N 3.44Å; E89-F92 VanDerWaalsContact O-N 3.16Å; E89-T93 WeakPolarHBondContact O-CB 3.49Å; E89-T93 PolarHBondContact O-N 3.32Å; E89-T93 PolarHBondContact O-OG1 3.21Å; E89-L341 WeakPolarHBondContact OE1-CD1 3.27Å; E89-E374 WeakPolarHBondContact CB-OE1 3.45Å; E89-R477 IonicContact OE1-NH2 3.24Å; E89-R477 PolarHBondContact OE1-NH2 2.96Å |
| 90 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | I | π-helix | trans | -59.6 | -36.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N80 S87 M88 E94 N95 G96 | N80-G90 PolarHBondContact OD1-N 3.39Å; S87-G90 PolarHBondContact O-N 3.37Å; M88-G90 VanDerWaalsContact C-N 3.34Å; G90-E94 WeakPolarHBondContact CA-OE1 3.47Å; G90-E94 PolarHBondContact N-OE1 3.05Å; G90-E94 WeakPolarHBondContact O-CB 3.3Å; G90-E94 PolarHBondContact O-N 3.48Å; G90-N95 PolarHBondContact O-N 3.42Å; G90-G96 PolarHBondContact O-N 2.99Å |
| 91 | L | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -65.7 | -44.4 | 177.2 | -170.3 | 153.1 | 0 | 0 | 0 | 111.9 | W62 V64 S87 M88 E89 G96 Y121 | W62-L91 HydrophobicContact CB-CD1 3.92Å; W62-L91 HydrophobicContact CD2-CD1 3.85Å; W62-L91 HydrophobicContact CE3-CD1 4.23Å; W62-L91 HydrophobicContact CG-CD1 3.72Å; V64-L91 HydrophobicContact CG2-CD1 4.2Å; S87-L91 PolarHBondContact O-N 3.05Å; M88-L91 HydrophobicContact CE-CD1 4.43Å; M88-L91 PolarHBondContact O-N 2.87Å; M88-L91 HydrophobicContact SD-CD1 4.33Å; E89-L91 VanDerWaalsContact C-N 3.26Å; E89-L91 PolarHBondContact O-N 3.18Å; L91-G96 WeakPolarHBondContact O-CA 2.96Å; L91-G96 PolarHBondContact O-N 3.27Å; L91-Y121 HydrophobicContact CB-CD1 3.76Å; L91-Y121 HydrophobicContact CB-CD2 4.27Å; L91-Y121 HydrophobicContact CB-CE1 3.81Å; L91-Y121 HydrophobicContact CB-CE2 4.3Å; L91-Y121 HydrophobicContact CB-CG 4Å; L91-Y121 HydrophobicContact CD1-CD2 3.61Å; L91-Y121 HydrophobicContact CD1-CE2 3.91Å; L91-Y121 HydrophobicContact CD1-CG 3.96Å; L91-Y121 HydrophobicContact CG-CD2 4.17Å; L91-Y121 HydrophobicContact CG-CE1 4.45Å; L91-Y121 HydrophobicContact CG-CE2 4.08Å; L91-Y121 HydrophobicContact CG-CG 4.4Å |
| 92 | F | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -99.5 | -10 | -169.1 | -74.4 | -65.6 | 0 | 0 | 0 | 115.1 | W62 M88 E89 N99 M100 L106 V349 Y352 L353 | W62-F92 HydrophobicContact CH2-CE2 4.4Å; W62-F92 AromaticContact CH2-CZ 3.69Å; W62-F92 HydrophobicContact CH2-CZ 3.69Å; W62-F92 AromaticContact CZ3-CE2 3.92Å; W62-F92 HydrophobicContact CZ3-CE2 3.92Å; W62-F92 AromaticContact CZ3-CZ 3.68Å; W62-F92 HydrophobicContact CZ3-CZ 3.68Å; M88-F92 HydrophobicContact CB-CD2 4.11Å; M88-F92 HydrophobicContact CB-CE2 4.3Å; M88-F92 WeakPolarHBondContact O-CB 3.47Å; M88-F92 VanDerWaalsContact O-CD2 3.25Å; M88-F92 WeakPolarHBondContact O-CD2 3.41Å; M88-F92 PolarHBondContact O-N 3.08Å; M88-F92 HydrophobicContact SD-CE2 4.44Å; E89-F92 PolarHBondContact O-N 3.44Å; E89-F92 VanDerWaalsContact O-N 3.16Å; F92-N99 CarbonylContact O-C 3.57Å; F92-N99 VanDerWaalsContact O-CA 3.3Å; F92-N99 WeakPolarHBondContact O-CA 3.31Å; F92-M100 HydrophobicContact CB-CG 3.88Å; F92-M100 HydrophobicContact CD1-CG 4.09Å; F92-M100 HydrophobicContact CG-CG 4.28Å; F92-M100 PolarHBondContact O-N 2.85Å; F92-L106 HydrophobicContact CD1-CD2 3.77Å; F92-L106 HydrophobicContact CE1-CD1 4.33Å; F92-L106 HydrophobicContact CE1-CD2 4.05Å; F92-V349 HydrophobicContact CB-CG1 4.42Å; F92-V349 HydrophobicContact CB-CG2 4.3Å; F92-V349 HydrophobicContact CD2-CG1 4.16Å; F92-Y352 HydrophobicContact CE1-CD1 4.28Å; F92-Y352 AromaticContact CE1-CE1 3.78Å; F92-Y352 HydrophobicContact CE1-CE1 3.78Å; F92-Y352 HydrophobicContact CZ-CD1 4.27Å; F92-Y352 AromaticContact CZ-CE1 3.81Å; F92-Y352 HydrophobicContact CZ-CE1 3.81Å; F92-L353 HydrophobicContact CD2-CD1 4.46Å; F92-L353 HydrophobicContact CE2-CD1 4.24Å; F92-L353 HydrophobicContact CE2-CD2 3.71Å; F92-L353 HydrophobicContact CE2-CG 4.26Å; F92-L353 HydrophobicContact CZ-CD2 4.11Å |
| 93 | T | 93.8 | Very high | 92 | Very high | 22 Ų | 22 | 21.7 Ų | 21.7 | 14% | 0.135 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -136.1 | -8.2 | -172.4 | 72.5 | 0 | 0 | 0 | 0 | 114.1 | E89 V349 R477 | E89-T93 WeakPolarHBondContact O-CB 3.49Å; E89-T93 PolarHBondContact O-N 3.32Å; E89-T93 PolarHBondContact O-OG1 3.21Å; T93-V349 HydrophobicContact CG2-CG2 3.54Å; T93-R477 VanDerWaalsContact CB-NH2 3.31Å; T93-R477 WeakPolarHBondContact O-CB 3.49Å; T93-R477 VanDerWaalsContact O-CG 3.28Å; T93-R477 WeakPolarHBondContact O-CG 3.46Å; T93-R477 PolarHBondContact O-NE 3.4Å; T93-R477 PolarHBondContact OG1-NH2 3.44Å |
| 94 | E | 97 | Very high | 90.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | I | π-helix | trans | -125.7 | -78.8 | -174.8 | -53.5 | -179.9 | -113.1 | 0 | 0 | 111.9 | W78 N80 G90 N109 M474 P476 R477 | W78-E94 WeakPolarHBondContact CZ2-OE2 3.49Å; N80-E94 PolarHBondContact ND2-OE1 3.32Å; G90-E94 WeakPolarHBondContact CA-OE1 3.47Å; G90-E94 PolarHBondContact N-OE1 3.05Å; G90-E94 WeakPolarHBondContact O-CB 3.3Å; G90-E94 PolarHBondContact O-N 3.48Å; E94-N109 PolarHBondContact O-ND2 3.46Å; E94-M474 HydrophobicContact CG-CB 4.38Å; E94-P476 HydrophobicContact CB-CB 4.01Å; E94-P476 HydrophobicContact CB-CG 4.21Å; E94-R477 HydrophobicContact CG-CB 4.46Å |
| 95 | N | 98.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -126.4 | 4.2 | -163.4 | 61 | 53.7 | 0 | 0 | 0 | 114.7 | W78 G90 S112 W113 Y121 P476 | W78-N95 VanDerWaalsContact CE3-ND2 3.28Å; W78-N95 WeakPolarHBondContact CH2-ND2 3.35Å; W78-N95 VanDerWaalsContact CZ2-ND2 3.3Å; W78-N95 WeakPolarHBondContact CZ2-ND2 3.46Å; W78-N95 WeakPolarHBondContact CZ3-ND2 3.39Å; G90-N95 PolarHBondContact O-N 3.42Å; N95-S112 CarbonylContact O-C 3.49Å; N95-S112 WeakPolarHBondContact O-CA 3.42Å; N95-S112 PolarHBondContact O-OG 3.23Å; N95-W113 HydrophobicContact CB-CB 4.4Å; N95-W113 HydrophobicContact CB-CD2 3.9Å; N95-W113 HydrophobicContact CB-CG 3.73Å; N95-W113 PolarHBondContact O-N 2.71Å; N95-Y121 PolarHBondContact O-OH 3.39Å; N95-Y121 VanDerWaalsContact OD1-CE1 3.3Å; N95-Y121 WeakPolarHBondContact OD1-CE1 3.47Å; N95-Y121 PolarHBondContact OD1-OH 3.05Å; N95-P476 HydrophobicContact CB-CB 3.96Å; N95-P476 HydrophobicContact CB-CG 4.36Å |
| 96 | G | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -77.7 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G90 L91 Y98 N109 S112 Y121 | G90-G96 PolarHBondContact O-N 2.99Å; L91-G96 WeakPolarHBondContact O-CA 2.96Å; L91-G96 PolarHBondContact O-N 3.27Å; G96-Y98 PolarHBondContact O-N 3.23Å; G96-N109 WeakPolarHBondContact O-CB 3.45Å; G96-N109 PolarHBondContact O-ND2 3.42Å; G96-S112 WeakPolarHBondContact O-CB 3.3Å; G96-S112 PolarHBondContact O-OG 3.38Å; G96-Y121 WeakPolarHBondContact CA-OH 3.43Å; G96-Y121 PolarHBondContact N-OH 3.28Å |
| 97 | P | 96.6 | Very high | 89 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -67.5 | -18.3 | -173.4 | 26.5 | -35.6 | 0 | 0 | 0 | 114.5 | F43 V64 N109 S112 | F43-P97 HydrophobicContact CE1-CB 4.12Å; F43-P97 HydrophobicContact CE2-CB 4.25Å; F43-P97 HydrophobicContact CE2-CG 4.14Å; F43-P97 HydrophobicContact CZ-CB 3.44Å; F43-P97 VanDerWaalsContact CZ-CB 3.44Å; F43-P97 HydrophobicContact CZ-CG 3.79Å; V64-P97 HydrophobicContact CG1-CG 3.91Å; V64-P97 HydrophobicContact CG2-CG 4.5Å; P97-N109 PolarHBondContact O-N 2.92Å; P97-S112 VanDerWaalsContact CA-OG 3.27Å; P97-S112 WeakPolarHBondContact CA-OG 3.41Å; P97-S112 VanDerWaalsContact N-OG 3.15Å |
| 98 | Y | 94.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.5 | -178.4 | -54.8 | -83.5 | 0 | 0 | 0 | 110.5 | I37 P41 F43 G96 V107 H108 | I37-Y98 HydrophobicContact CD1-CD1 4.21Å; I37-Y98 HydrophobicContact CD1-CD2 3.35Å; I37-Y98 HydrophobicContact CD1-CE1 4.21Å; I37-Y98 HydrophobicContact CD1-CE2 3.37Å; I37-Y98 HydrophobicContact CD1-CG 3.83Å; I37-Y98 HydrophobicContact CG1-CD1 4.33Å; I37-Y98 HydrophobicContact CG1-CD2 4.28Å; I37-Y98 HydrophobicContact CG1-CE1 4.4Å; I37-Y98 HydrophobicContact CG1-CE2 4.39Å; I37-Y98 HydrophobicContact CG1-CG 4.29Å; I37-Y98 HydrophobicContact CG2-CD1 4.47Å; I37-Y98 HydrophobicContact CG2-CE1 3.77Å; I37-Y98 HydrophobicContact CG2-CE2 4.36Å; P41-Y98 WeakPolarHBondContact CB-OH 3.18Å; P41-Y98 HydrophobicContact CG-CE2 4.15Å; P41-Y98 VanDerWaalsContact CG-OH 3.26Å; P41-Y98 WeakPolarHBondContact CG-OH 3.21Å; F43-Y98 AromaticContact CZ-CE2 3.85Å; F43-Y98 HydrophobicContact CZ-CE2 3.85Å; G96-Y98 PolarHBondContact O-N 3.23Å; Y98-V107 CarbonylContact C-O 3.52Å; Y98-V107 WeakPolarHBondContact CA-O 3.43Å; Y98-H108 HydrophobicContact CD1-CB 4.4Å; Y98-H108 HydrophobicContact CE1-CB 4.36Å |
| 99 | N | 90 | Very high | 88.6 | Confident | 47 Ų | 47 | 37 Ų | 37 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142 | 172.6 | -66.2 | -18.5 | 0 | 0 | 0 | 110.1 | F92 V107 | F92-N99 CarbonylContact O-C 3.57Å; F92-N99 VanDerWaalsContact O-CA 3.3Å; F92-N99 WeakPolarHBondContact O-CA 3.31Å; N99-V107 PolarHBondContact N-O 3.03Å; N99-V107 PolarHBondContact O-N 3.38Å |
| 100 | M | 86.1 | Confident | 88.6 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.7 | 171.4 | -70.4 | -99 | -88.3 | 0 | 0 | 109.7 | F92 L106 I348 V349 Y352 | F92-M100 HydrophobicContact CB-CG 3.88Å; F92-M100 HydrophobicContact CD1-CG 4.09Å; F92-M100 HydrophobicContact CG-CG 4.28Å; F92-M100 PolarHBondContact O-N 2.85Å; M100-L106 HydrophobicContact CG-CD2 3.5Å; M100-L106 HydrophobicContact SD-CD2 3.54Å; M100-L106 VanDerWaalsContact SD-CD2 3.54Å; M100-L106 HydrophobicContact SD-CG 4.32Å; M100-I348 HydrophobicContact CB-CG2 3.92Å; M100-I348 VanDerWaalsContact CE-C 3.45Å; M100-I348 HydrophobicContact CE-CG2 3.81Å; M100-I348 WeakPolarHBondContact CE-O 3.46Å; M100-V349 HydrophobicContact CE-CB 4.32Å; M100-V349 HydrophobicContact CE-CG2 4.27Å; M100-Y352 HydrophobicContact CE-CD1 4.13Å; M100-Y352 HydrophobicContact CE-CG 3.77Å; M100-Y352 HydrophobicContact SD-CD1 4.18Å; M100-Y352 HydrophobicContact SD-CD2 4.26Å; M100-Y352 HydrophobicContact SD-CG 3.85Å |
| 101 | I | 69.6 | Low | 88.5 | Confident | 109 Ų | 109 | 41.8 Ų | 41.8 | 56% | 0.559 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -38.7 | -178.6 | -39.2 | -167.2 | 0 | 0 | 0 | 112.4 | V107 | I101-V107 HydrophobicContact CD1-CB 3.48Å; I101-V107 VanDerWaalsContact CD1-CB 3.48Å; I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CD1-CG2 3.29Å; I101-V107 HydrophobicContact CG1-CB 3.93Å; I101-V107 HydrophobicContact CG1-CG2 3.72Å |
| 102 | Q | 69.6 | Low | 88.6 | Confident | 158 Ų | 158 | 41.6 Ų | 41.6 | 74% | 0.738 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 150.1 | 167.7 | -156.3 | 174.3 | 10.7 | 0 | 0 | 109.8 | T104 S105 | Q102-T104 PolarHBondContact O-N 3.09Å; Q102-S105 PolarHBondContact O-N 3.48Å |
| 103 | G | 67.8 | Low | 88.7 | Confident | 49 Ų | 49 | 41.7 Ų | 41.7 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | -129.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 104 | T | 69.7 | Low | 88.9 | Confident | 66 Ų | 66 | 40.8 Ų | 40.8 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.6 | 178 | 56 | 0 | 0 | 0 | 0 | 113 | Q102 Y355 | Q102-T104 PolarHBondContact O-N 3.09Å; T104-Y355 HydrophobicContact CG2-CD2 4Å; T104-Y355 HydrophobicContact CG2-CE2 3.4Å; T104-Y355 VanDerWaalsContact CG2-CE2 3.4Å |
| 105 | S | 79.6 | Confident | 89 | Confident | 71 Ų | 71 | 44.1 Ų | 44.1 | 50% | 0.497 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.1 | -173.5 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | Q102 | Q102-S105 PolarHBondContact O-N 3.48Å |
| 106 | L | 87.3 | Confident | 89 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.6 | 172.7 | -72.9 | 173.5 | 0 | 0 | 0 | 109.7 | L34 I37 F92 M100 Y352 | L34-L106 HydrophobicContact CD2-CD1 4.09Å; I37-L106 HydrophobicContact CD1-CD1 3.92Å; I37-L106 HydrophobicContact CG1-CB 4.02Å; I37-L106 HydrophobicContact CG1-CD1 3.49Å; I37-L106 VanDerWaalsContact CG1-CD1 3.49Å; I37-L106 HydrophobicContact CG1-CG 4.41Å; F92-L106 HydrophobicContact CD1-CD2 3.77Å; F92-L106 HydrophobicContact CE1-CD1 4.33Å; F92-L106 HydrophobicContact CE1-CD2 4.05Å; M100-L106 HydrophobicContact CG-CD2 3.5Å; M100-L106 HydrophobicContact SD-CD2 3.54Å; M100-L106 VanDerWaalsContact SD-CD2 3.54Å; M100-L106 HydrophobicContact SD-CG 4.32Å; L106-Y352 HydrophobicContact CD1-CE1 4.22Å; L106-Y352 HydrophobicContact CD1-CE2 4.13Å; L106-Y352 VanDerWaalsContact CD1-OH 3.31Å; L106-Y352 WeakPolarHBondContact CD1-OH 3.16Å |
| 107 | V | 90 | Very high | 89 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.1 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | Y98 N99 I101 N109 | Y98-V107 CarbonylContact C-O 3.52Å; Y98-V107 WeakPolarHBondContact CA-O 3.43Å; N99-V107 PolarHBondContact N-O 3.03Å; N99-V107 PolarHBondContact O-N 3.38Å; I101-V107 HydrophobicContact CD1-CB 3.48Å; I101-V107 VanDerWaalsContact CD1-CB 3.48Å; I101-V107 HydrophobicContact CD1-CG1 3.89Å; I101-V107 HydrophobicContact CD1-CG2 3.29Å; I101-V107 HydrophobicContact CG1-CB 3.93Å; I101-V107 HydrophobicContact CG1-CG2 3.72Å; V107-N109 PolarHBondContact O-N 2.99Å |
| 108 | H | 92.8 | Very high | 89.1 | Confident | 105 Ų | 105 | 45.2 Ų | 45.2 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 130.2 | -179.3 | 171.6 | -87.4 | 0 | 0 | 0 | 111.9 | Y98 P110 | Y98-H108 HydrophobicContact CD1-CB 4.4Å; Y98-H108 HydrophobicContact CE1-CB 4.36Å; H108-P110 VanDerWaalsContact O-CD 3.28Å; H108-P110 WeakPolarHBondContact O-CD 3.24Å |
| 109 | N | 94.7 | Very high | 89.3 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | trans | -89.8 | 108.6 | 175.4 | -177.2 | -2 | 0 | 0 | 0 | 110.5 | E94 G96 P97 V107 Y111 S112 | E94-N109 PolarHBondContact O-ND2 3.46Å; G96-N109 WeakPolarHBondContact O-CB 3.45Å; G96-N109 PolarHBondContact O-ND2 3.42Å; P97-N109 PolarHBondContact O-N 2.92Å; V107-N109 PolarHBondContact O-N 2.99Å; N109-Y111 PolarHBondContact O-N 2.99Å; N109-Y111 VanDerWaalsContact O-N 3.1Å; N109-Y111 WeakPolarHBondContact OD1-CA 3.47Å; N109-Y111 PolarHBondContact OD1-N 2.89Å; N109-S112 PolarHBondContact O-N 3.24Å; N109-S112 PolarHBondContact OD1-N 2.57Å | ||
| 110 | P | 94.9 | Very high | 89.7 | Confident | 64 Ų | 64 | 42 Ų | 42 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.1 | 177.6 | 26.2 | -31.5 | 0 | 0 | 0 | 113.9 | H108 K115 | H108-P110 VanDerWaalsContact O-CD 3.28Å; H108-P110 WeakPolarHBondContact O-CD 3.24Å; P110-K115 WeakPolarHBondContact O-CE 3.41Å; P110-K115 PolarHBondContact O-NZ 3.01Å |
| 111 | Y | 96.6 | Very high | 90.4 | Very high | 45 Ų | 45 | 41 Ų | 41 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 21.9 | -179.9 | -54.5 | -70.9 | 0 | 0 | 0 | 113 | N109 W113 E443 P480 A481 F484 | N109-Y111 PolarHBondContact O-N 2.99Å; N109-Y111 VanDerWaalsContact O-N 3.1Å; N109-Y111 WeakPolarHBondContact OD1-CA 3.47Å; N109-Y111 PolarHBondContact OD1-N 2.89Å; Y111-W113 PolarHBondContact O-N 2.87Å; Y111-E443 WeakPolarHBondContact CE2-OE1 3.29Å; Y111-E443 WeakPolarHBondContact OH-CB 3.28Å; Y111-E443 WeakPolarHBondContact OH-CG 3.4Å; Y111-E443 PolarHBondContact OH-OE1 2.81Å; Y111-P480 HydrophobicContact CD2-CB 3.58Å; Y111-P480 HydrophobicContact CD2-CG 3.98Å; Y111-P480 HydrophobicContact CE2-CB 4.41Å; Y111-P480 HydrophobicContact CE2-CG 4.38Å; Y111-P480 HydrophobicContact CG-CB 3.94Å; Y111-A481 HydrophobicContact CD1-CB 4.14Å; Y111-A481 HydrophobicContact CE1-CB 3.63Å; Y111-A481 HydrophobicContact CE2-CB 4.27Å; Y111-F484 HydrophobicContact CD1-CB 4.05Å; Y111-F484 HydrophobicContact CD1-CD1 4.49Å; Y111-F484 HydrophobicContact CD1-CG 4.26Å; Y111-F484 HydrophobicContact CG-CB 4.44Å; Y111-F484 WeakPolarHBondContact O-CD2 3.4Å |
| 112 | S | 97.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | trans | -57.4 | 134.5 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 112 | N95 G96 P97 N109 N114 K115 F484 | N95-S112 CarbonylContact O-C 3.49Å; N95-S112 WeakPolarHBondContact O-CA 3.42Å; N95-S112 PolarHBondContact O-OG 3.23Å; G96-S112 WeakPolarHBondContact O-CB 3.3Å; G96-S112 PolarHBondContact O-OG 3.38Å; P97-S112 VanDerWaalsContact CA-OG 3.27Å; P97-S112 WeakPolarHBondContact CA-OG 3.41Å; P97-S112 VanDerWaalsContact N-OG 3.15Å; N109-S112 PolarHBondContact O-N 3.24Å; N109-S112 PolarHBondContact OD1-N 2.57Å; S112-N114 WeakPolarHBondContact CB-OD1 3.19Å; S112-N114 PolarHBondContact O-N 3.27Å; S112-N114 PolarHBondContact OG-N 3.01Å; S112-N114 PolarHBondContact OG-OD1 3.07Å; S112-K115 WeakPolarHBondContact O-CB 3.18Å; S112-K115 WeakPolarHBondContact O-CG 3.39Å; S112-K115 PolarHBondContact O-N 2.93Å; S112-K115 VanDerWaalsContact O-N 3.1Å; S112-F484 WeakPolarHBondContact O-CE2 3.22Å | ||
| 113 | W | 98.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -67.5 | -18.2 | 178.8 | -73.5 | 22.2 | 0 | 0 | 0 | 112.5 | V76 W78 N95 Y111 K115 L116 A117 V119 T171 P476 M483 I487 | V76-W113 HydrophobicContact CG1-CE3 4.42Å; W78-W113 HydrophobicContact CE3-CE3 4.38Å; W78-W113 HydrophobicContact CE3-CH2 4.12Å; W78-W113 AromaticContact CE3-CZ3 3.76Å; W78-W113 HydrophobicContact CE3-CZ3 3.76Å; W78-W113 AromaticContact CZ3-CH2 3.59Å; W78-W113 HydrophobicContact CZ3-CH2 3.59Å; W78-W113 HydrophobicContact CZ3-CZ2 4.32Å; W78-W113 AromaticContact CZ3-CZ3 3.75Å; W78-W113 HydrophobicContact CZ3-CZ3 3.75Å; N95-W113 HydrophobicContact CB-CB 4.4Å; N95-W113 HydrophobicContact CB-CD2 3.9Å; N95-W113 HydrophobicContact CB-CG 3.73Å; N95-W113 PolarHBondContact O-N 2.71Å; Y111-W113 PolarHBondContact O-N 2.87Å; W113-K115 PolarHBondContact O-N 2.86Å; W113-K115 VanDerWaalsContact O-N 3.09Å; W113-L116 WeakPolarHBondContact O-CB 3.15Å; W113-L116 PolarHBondContact O-N 3.01Å; W113-A117 PolarHBondContact O-N 2.91Å; W113-V119 HydrophobicContact CB-CG2 4.08Å; W113-T171 HydrophobicContact CZ3-CG2 4.24Å; W113-P476 HydrophobicContact CZ2-CG 4.37Å; W113-M483 HydrophobicContact CH2-CE 4.48Å; W113-M483 HydrophobicContact CZ2-CE 3.97Å; W113-M483 HydrophobicContact CZ2-CG 4.19Å; W113-I487 HydrophobicContact CD2-CG1 4.06Å; W113-I487 HydrophobicContact CD2-CG2 4.14Å; W113-I487 HydrophobicContact CE3-CD1 4.47Å; W113-I487 HydrophobicContact CE3-CG1 3.96Å; W113-I487 HydrophobicContact CG-CG2 4.39Å; W113-I487 HydrophobicContact CH2-CB 4.23Å; W113-I487 HydrophobicContact CH2-CD1 3.63Å; W113-I487 HydrophobicContact CH2-CG1 3.68Å; W113-I487 HydrophobicContact CZ2-CB 3.87Å; W113-I487 HydrophobicContact CZ2-CD1 4.17Å; W113-I487 HydrophobicContact CZ2-CG1 3.8Å; W113-I487 HydrophobicContact CZ2-CG2 4.07Å; W113-I487 HydrophobicContact CZ3-CD1 3.81Å; W113-I487 HydrophobicContact CZ3-CG1 3.78Å |
| 114 | N | 98.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -68.9 | -4.1 | 173.2 | 90.7 | -51.4 | 0 | 0 | 0 | 113.7 | V64 E65 A66 V67 S112 A117 V119 | V64-N114 HydrophobicContact CB-CB 4.47Å; V64-N114 HydrophobicContact CG1-CB 3.87Å; V64-N114 WeakPolarHBondContact CG1-ND2 3.31Å; E65-N114 PolarHBondContact O-ND2 2.9Å; E65-N114 VanDerWaalsContact O-ND2 3.09Å; A66-N114 CarbonylContact C-O 3.51Å; A66-N114 WeakPolarHBondContact CA-O 3.36Å; V67-N114 WeakPolarHBondContact CG2-ND2 3.33Å; V67-N114 PolarHBondContact N-O 3.17Å; S112-N114 WeakPolarHBondContact CB-OD1 3.19Å; S112-N114 PolarHBondContact O-N 3.27Å; S112-N114 PolarHBondContact OG-N 3.01Å; S112-N114 PolarHBondContact OG-OD1 3.07Å; N114-A117 VanDerWaalsContact CA-O 3.26Å; N114-A117 WeakPolarHBondContact CA-O 3.17Å; N114-V119 HydrophobicContact CB-CG2 4.22Å |
| 115 | K | 98 | Very high | 95.9 | Very high | 70 Ų | 70 | 23.3 Ų | 23.3 | 30% | 0.304 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -73.7 | -17.4 | 165.2 | -65.6 | -176.7 | 174.7 | -168.2 | 0 | 113.1 | V67 P110 S112 W113 F484 | V67-K115 HydrophobicContact CG2-CG 4.23Å; P110-K115 WeakPolarHBondContact O-CE 3.41Å; P110-K115 PolarHBondContact O-NZ 3.01Å; S112-K115 WeakPolarHBondContact O-CB 3.18Å; S112-K115 WeakPolarHBondContact O-CG 3.39Å; S112-K115 PolarHBondContact O-N 2.93Å; S112-K115 VanDerWaalsContact O-N 3.1Å; W113-K115 PolarHBondContact O-N 2.86Å; W113-K115 VanDerWaalsContact O-N 3.09Å; K115-F484 HydrophobicContact CB-CE2 4.08Å; K115-F484 HydrophobicContact CB-CZ 3.98Å; K115-F484 HydrophobicContact CD-CZ 4.4Å |
| 116 | L | 97.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 14% | 0.141 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -25.2 | -175.7 | -56.7 | 173.3 | 0 | 0 | 0 | 112.9 | W113 F484 I487 Q488 L491 | W113-L116 WeakPolarHBondContact O-CB 3.15Å; W113-L116 PolarHBondContact O-N 3.01Å; L116-F484 HydrophobicContact CD1-CD2 4.12Å; L116-F484 HydrophobicContact CD1-CE2 3.65Å; L116-F484 HydrophobicContact CD1-CZ 3.89Å; L116-F484 HydrophobicContact CD2-CE1 4.32Å; L116-F484 HydrophobicContact CD2-CE2 4.26Å; L116-F484 HydrophobicContact CD2-CZ 3.71Å; L116-F484 HydrophobicContact CG-CE2 3.69Å; L116-F484 HydrophobicContact CG-CZ 3.68Å; L116-I487 HydrophobicContact CD1-CG2 3.79Å; L116-Q488 HydrophobicContact CD1-CB 3.85Å; L116-Q488 HydrophobicContact CD2-CB 4.15Å; L116-Q488 HydrophobicContact CD2-CG 3.97Å; L116-L491 HydrophobicContact CB-CD1 4Å; L116-L491 HydrophobicContact CD1-CD1 4.31Å |
| 117 | A | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -154.2 | 166.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A66 P74 V76 W113 N114 V119 | A66-A117 WeakPolarHBondContact CA-O 3.48Å; A66-A117 WeakPolarHBondContact CB-O 3.39Å; P74-A117 HydrophobicContact CG-CB 4.01Å; P74-A117 WeakPolarHBondContact O-CB 3.25Å; V76-A117 HydrophobicContact CB-CB 4.05Å; V76-A117 HydrophobicContact CG2-CB 3.38Å; W113-A117 PolarHBondContact O-N 2.91Å; N114-A117 VanDerWaalsContact CA-O 3.26Å; N114-A117 WeakPolarHBondContact CA-O 3.17Å; A117-V119 HydrophobicContact CB-CG2 4.36Å |
| 118 | N | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.9 | 157.9 | -57.8 | -73.3 | 0 | 0 | 0 | 107.2 | L63 V64 E65 A66 P70 A73 P74 L75 V76 Y163 | L63-N118 HydrophobicContact CD1-CB 4.35Å; V64-N118 CarbonylContact O-C 3.46Å; V64-N118 WeakPolarHBondContact O-CA 3.48Å; E65-N118 VanDerWaalsContact CA-OD1 3.27Å; E65-N118 WeakPolarHBondContact CA-OD1 3.28Å; A66-N118 PolarHBondContact N-OD1 2.88Å; P70-N118 WeakPolarHBondContact CB-OD1 3.41Å; P70-N118 PolarHBondContact O-ND2 3.29Å; A73-N118 PolarHBondContact O-ND2 3.34Å; A73-N118 VanDerWaalsContact O-ND2 3.09Å; P74-N118 PolarHBondContact O-N 3.1Å; L75-N118 CarbonylContact C-O 3.6Å; L75-N118 WeakPolarHBondContact CA-O 3.2Å; L75-N118 HydrophobicContact CD1-CB 4.26Å; V76-N118 PolarHBondContact N-O 2.89Å; N118-Y163 HydrophobicContact CB-CE1 3.8Å; N118-Y163 VanDerWaalsContact CG-OH 3.27Å; N118-Y163 PolarHBondContact OD1-OH 2.89Å |
| 119 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.7 | -173.4 | -168.2 | 0 | 0 | 0 | 0 | 110.2 | V64 V76 W78 W113 N114 A117 Y121 | V64-V119 PolarHBondContact N-O 3.1Å; V64-V119 PolarHBondContact O-N 2.82Å; V76-V119 CarbonylContact O-C 3.59Å; V76-V119 WeakPolarHBondContact O-CA 3.42Å; W78-V119 HydrophobicContact CB-CG1 4.4Å; W113-V119 HydrophobicContact CB-CG2 4.08Å; N114-V119 HydrophobicContact CB-CG2 4.22Å; A117-V119 HydrophobicContact CB-CG2 4.36Å; V119-Y121 HydrophobicContact CB-CE2 3.8Å; V119-Y121 HydrophobicContact CG1-CD2 4.07Å; V119-Y121 HydrophobicContact CG1-CE1 4.2Å; V119-Y121 HydrophobicContact CG1-CE2 3.45Å; V119-Y121 VanDerWaalsContact CG1-CE2 3.45Å |
| 120 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.8 | 177.3 | 177.2 | 64 | 0 | 0 | 0 | 109 | Y61 L63 L75 V76 L77 W78 L153 F156 | Y61-L120 HydrophobicContact CD2-CD1 3.44Å; Y61-L120 VanDerWaalsContact CD2-CD1 3.44Å; Y61-L120 HydrophobicContact CE2-CD1 4.41Å; Y61-L120 HydrophobicContact CG-CD1 4.03Å; L63-L120 HydrophobicContact CB-CD1 4.22Å; L63-L120 HydrophobicContact CD1-CB 4.26Å; L75-L120 HydrophobicContact CD1-CB 4.16Å; V76-L120 PolarHBondContact O-N 3.38Å; L77-L120 CarbonylContact C-O 3.28Å; L77-L120 WeakPolarHBondContact CA-O 3.17Å; L77-L120 HydrophobicContact CD1-CD2 4.21Å; L77-L120 HydrophobicContact CD1-CG 4.15Å; L77-L120 WeakPolarHBondContact CD1-O 3.3Å; W78-L120 PolarHBondContact N-O 2.74Å; L120-L153 HydrophobicContact CD2-CD2 3.9Å; L120-F156 HydrophobicContact CD1-CD2 4.19Å; L120-F156 HydrophobicContact CD1-CE2 4Å; L120-F156 HydrophobicContact CD2-CD2 4.06Å; L120-F156 HydrophobicContact CD2-CE2 4.17Å; L120-F156 HydrophobicContact CD2-CG 4.23Å; L120-F156 HydrophobicContact CD2-CZ 4.46Å |
| 121 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.8 | 172.3 | -58.6 | -98 | 0 | 0 | 0 | 108 | Y61 W62 V64 W78 S87 M88 L91 N95 G96 V119 | Y61-Y121 CarbonylContact C-O 3.47Å; Y61-Y121 VanDerWaalsContact CA-O 3.27Å; Y61-Y121 WeakPolarHBondContact CA-O 3.47Å; W62-Y121 PolarHBondContact N-O 3.11Å; W62-Y121 WeakPolarHBondContact O-CD2 3.22Å; W62-Y121 PolarHBondContact O-N 2.67Å; V64-Y121 HydrophobicContact CG2-CD2 4.41Å; V64-Y121 HydrophobicContact CG2-CE2 4.07Å; W78-Y121 HydrophobicContact CB-CD1 3.88Å; W78-Y121 HydrophobicContact CB-CE1 4.08Å; W78-Y121 AromaticContact CD1-CD1 3.55Å; W78-Y121 AromaticContact CD1-CE1 3.88Å; W78-Y121 AromaticContact CG-CD1 3.9Å; W78-Y121 HydrophobicContact CG-CD1 3.9Å; W78-Y121 AromaticContact CG-CE1 3.98Å; W78-Y121 HydrophobicContact CG-CE1 3.98Å; S87-Y121 WeakPolarHBondContact O-CD1 3.15Å; M88-Y121 VanDerWaalsContact CE-CB 3.46Å; M88-Y121 HydrophobicContact CE-CG 4.44Å; L91-Y121 HydrophobicContact CB-CD1 3.76Å; L91-Y121 HydrophobicContact CB-CD2 4.27Å; L91-Y121 HydrophobicContact CB-CE1 3.81Å; L91-Y121 HydrophobicContact CB-CE2 4.3Å; L91-Y121 HydrophobicContact CB-CG 4Å; L91-Y121 HydrophobicContact CD1-CD2 3.61Å; L91-Y121 HydrophobicContact CD1-CE2 3.91Å; L91-Y121 HydrophobicContact CD1-CG 3.96Å; L91-Y121 HydrophobicContact CG-CD2 4.17Å; L91-Y121 HydrophobicContact CG-CE1 4.45Å; L91-Y121 HydrophobicContact CG-CE2 4.08Å; L91-Y121 HydrophobicContact CG-CG 4.4Å; N95-Y121 PolarHBondContact O-OH 3.39Å; N95-Y121 VanDerWaalsContact OD1-CE1 3.3Å; N95-Y121 WeakPolarHBondContact OD1-CE1 3.47Å; N95-Y121 PolarHBondContact OD1-OH 3.05Å; G96-Y121 WeakPolarHBondContact CA-OH 3.43Å; G96-Y121 PolarHBondContact N-OH 3.28Å; V119-Y121 HydrophobicContact CB-CE2 3.8Å; V119-Y121 HydrophobicContact CG1-CD2 4.07Å; V119-Y121 HydrophobicContact CG1-CE1 4.2Å; V119-Y121 HydrophobicContact CG1-CE2 3.45Å; V119-Y121 VanDerWaalsContact CG1-CE2 3.45Å |
| 122 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.6 | -177.8 | -176.7 | 72.8 | 0 | 0 | 0 | 109.7 | L50 L59 L77 W78 L79 S87 A124 N149 A152 | L50-L122 HydrophobicContact CD1-CD1 4.21Å; L59-L122 HydrophobicContact CB-CD1 3.93Å; L59-L122 HydrophobicContact CD1-CD1 4.49Å; L59-L122 HydrophobicContact CD1-CD2 4.29Å; L77-L122 HydrophobicContact CD1-CB 3.7Å; L77-L122 HydrophobicContact CD1-CD2 4.44Å; W78-L122 PolarHBondContact O-N 2.87Å; L79-L122 HydrophobicContact CD2-CB 3.91Å; L79-L122 HydrophobicContact CD2-CD2 4.27Å; L79-L122 HydrophobicContact CD2-CG 4.48Å; S87-L122 VanDerWaalsContact CB-O 3.24Å; S87-L122 WeakPolarHBondContact CB-O 3.26Å; S87-L122 PolarHBondContact OG-O 3.33Å; L122-A124 PolarHBondContact O-N 2.85Å; L122-N149 HydrophobicContact CD2-CB 4.3Å; L122-A152 HydrophobicContact CD2-CB 4.47Å |
| 123 | E | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -78.3 | 117.8 | 172.4 | -61.1 | -171.2 | 122.8 | 0 | 0 | 109.3 | H60 S86 M88 G129 F130 S131 W372 | H60-E123 HydrophobicContact CB-CB 4.38Å; H60-E123 VanDerWaalsContact CB-OE2 3.29Å; H60-E123 WeakPolarHBondContact CB-OE2 3.27Å; H60-E123 IonicContact CG-OE2 2.67Å; H60-E123 IonicContact ND1-OE2 2.57Å; H60-E123 PolarHBondContact ND1-OE2 2.99Å; H60-E123 PolarHBondContact O-N 2.82Å; S86-E123 WeakPolarHBondContact CB-OE1 3.44Å; S86-E123 WeakPolarHBondContact OG-CG 3.24Å; S86-E123 PolarHBondContact OG-OE1 3.2Å; M88-E123 HydrophobicContact CE-CG 4.15Å; M88-E123 HydrophobicContact CG-CG 4.08Å; M88-E123 VanDerWaalsContact CG-OE1 3.28Å; M88-E123 WeakPolarHBondContact CG-OE1 3.46Å; E123-G129 WeakPolarHBondContact OE1-CA 3.4Å; E123-F130 WeakPolarHBondContact OE2-CA 3.38Å; E123-F130 VanDerWaalsContact OE2-CB 3.3Å; E123-F130 WeakPolarHBondContact OE2-CB 3.48Å; E123-F130 PolarHBondContact OE2-N 2.88Å; E123-S131 WeakPolarHBondContact CB-OG 3.44Å; E123-S131 PolarHBondContact O-OG 2.95Å; E123-W372 PolarHBondContact OE1-NE1 2.82Å | ||
| 124 | A | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | trans | -149.3 | 149.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L59 L122 N149 | L59-A124 HydrophobicContact CD1-CB 4.33Å; L122-A124 PolarHBondContact O-N 2.85Å; A124-N149 WeakPolarHBondContact CB-OD1 2.95Å | ||
| 125 | P | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | S | Bend | cis | -75.2 | -172 | -3.9 | 34.8 | -42 | 0 | 0 | 0 | 113.9 | G127 V128 T140 T145 V379 Y383 | P125-G127 PolarHBondContact O-N 3.27Å; P125-V128 HydrophobicContact CG-CG2 4.14Å; P125-V128 VanDerWaalsContact O-CB 3.29Å; P125-V128 WeakPolarHBondContact O-CB 3.41Å; P125-V128 WeakPolarHBondContact O-CG2 3.43Å; P125-V128 PolarHBondContact O-N 2.84Å; P125-T140 HydrophobicContact CB-CG2 3.94Å; P125-T140 HydrophobicContact CG-CG2 3.8Å; P125-T145 HydrophobicContact CB-CG2 4.37Å; P125-V379 HydrophobicContact CG-CG1 3.51Å; P125-Y383 HydrophobicContact CG-CD2 4.33Å; P125-Y383 HydrophobicContact CG-CE2 4.02Å |
| 126 | A | 97.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 6% | 0.058 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 138.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | I57 L59 A133 | I57-A126 HydrophobicContact CD1-CB 4.07Å; I57-A126 HydrophobicContact CG2-CB 4.2Å; L59-A126 HydrophobicContact CD2-CB 4.46Å; A126-A133 HydrophobicContact CB-CB 4.23Å |
| 127 | G | 96.3 | Very high | 97 | Very high | 22 Ų | 22 | 22.5 Ų | 22.5 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -7.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P125 S131 S376 | P125-G127 PolarHBondContact O-N 3.27Å; G127-S131 WeakPolarHBondContact CA-O 3.4Å; G127-S131 PolarHBondContact N-O 2.87Å; G127-S376 WeakPolarHBondContact O-CB 3.2Å; G127-S376 PolarHBondContact O-OG 3.21Å |
| 128 | V | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -92.5 | 127.7 | 174.3 | 177 | 0 | 0 | 0 | 0 | 110.7 | C85 P125 F130 S131 V379 | C85-V128 VanDerWaalsContact C-CG1 3.42Å; C85-V128 WeakPolarHBondContact O-CG1 3.36Å; P125-V128 HydrophobicContact CG-CG2 4.14Å; P125-V128 VanDerWaalsContact O-CB 3.29Å; P125-V128 WeakPolarHBondContact O-CB 3.41Å; P125-V128 WeakPolarHBondContact O-CG2 3.43Å; P125-V128 PolarHBondContact O-N 2.84Å; V128-F130 PolarHBondContact O-N 3.24Å; V128-F130 VanDerWaalsContact O-N 3.16Å; V128-S131 WeakPolarHBondContact O-CA 3.47Å; V128-S131 VanDerWaalsContact O-CB 3.22Å; V128-S131 WeakPolarHBondContact O-CB 3.44Å; V128-S131 PolarHBondContact O-N 2.77Å; V128-V379 HydrophobicContact CG2-CB 4.45Å; V128-V379 HydrophobicContact CG2-CG1 4.11Å; V128-V379 HydrophobicContact CG2-CG2 4.2Å |
| 129 | G | 96.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -116.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E123 P369 W372 | E123-G129 WeakPolarHBondContact OE1-CA 3.4Å; G129-P369 VanDerWaalsContact O-CG 3.29Å; G129-P369 WeakPolarHBondContact O-CG 3.45Å; G129-W372 VanDerWaalsContact C-CD1 3.43Å; G129-W372 VanDerWaalsContact CA-NE1 3.34Å |
| 130 | F | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -12.8 | 173.7 | -62.9 | -59.7 | 0 | 0 | 0 | 114.3 | Y49 H60 E123 V128 L353 I362 M364 P369 W372 | Y49-F130 WeakPolarHBondContact CE1-O 3.35Å; Y49-F130 PolarHBondContact OH-O 2.85Å; H60-F130 HydrophobicContact CB-CB 3.68Å; H60-F130 AromaticContact ND1-CD2 3.94Å; E123-F130 WeakPolarHBondContact OE2-CA 3.38Å; E123-F130 VanDerWaalsContact OE2-CB 3.3Å; E123-F130 WeakPolarHBondContact OE2-CB 3.48Å; E123-F130 PolarHBondContact OE2-N 2.88Å; V128-F130 PolarHBondContact O-N 3.24Å; V128-F130 VanDerWaalsContact O-N 3.16Å; F130-L353 HydrophobicContact CE2-CB 4.28Å; F130-L353 HydrophobicContact CE2-CD1 4.35Å; F130-L353 HydrophobicContact CE2-CD2 4.23Å; F130-L353 HydrophobicContact CZ-CB 4Å; F130-I362 HydrophobicContact CD2-CD1 4.19Å; F130-I362 HydrophobicContact CE2-CD1 3.52Å; F130-I362 HydrophobicContact CZ-CD1 3.98Å; F130-M364 HydrophobicContact CB-SD 3.55Å; F130-M364 VanDerWaalsContact CB-SD 3.55Å; F130-M364 HydrophobicContact CD1-CG 4.02Å; F130-M364 HydrophobicContact CD1-SD 3.39Å; F130-M364 WeakPolarHBondContact CD1-SD 3.29Å; F130-M364 HydrophobicContact CD2-CE 4.38Å; F130-M364 HydrophobicContact CD2-SD 3.6Å; F130-M364 HydrophobicContact CE1-CG 3.92Å; F130-M364 HydrophobicContact CE1-SD 3.89Å; F130-M364 HydrophobicContact CE2-CG 4.45Å; F130-M364 HydrophobicContact CE2-SD 4.08Å; F130-M364 HydrophobicContact CG-CE 4.41Å; F130-M364 HydrophobicContact CG-CG 4.32Å; F130-M364 HydrophobicContact CG-SD 3.22Å; F130-M364 WeakPolarHBondContact CG-SD 3.28Å; F130-M364 HydrophobicContact CZ-CG 4.15Å; F130-M364 HydrophobicContact CZ-SD 4.2Å; F130-P369 VanDerWaalsContact CA-CG 3.46Å; F130-P369 HydrophobicContact CB-CG 4.37Å; F130-P369 HydrophobicContact CD1-CG 4.08Å; F130-P369 WeakPolarHBondContact O-CD 3.2Å; F130-W372 HydrophobicContact CD1-CB 4.22Å; F130-W372 AromaticContact CD1-CD1 3.88Å; F130-W372 HydrophobicContact CD1-CG 4.46Å; F130-W372 AromaticContact CD2-CD1 3.47Å; F130-W372 VanDerWaalsContact CD2-CD1 3.47Å; F130-W372 HydrophobicContact CD2-CG 4.47Å; F130-W372 HydrophobicContact CE1-CB 3.61Å; F130-W372 AromaticContact CE1-CD1 3.83Å; F130-W372 HydrophobicContact CE1-CG 4.07Å; F130-W372 HydrophobicContact CE2-CB 4.43Å; F130-W372 AromaticContact CE2-CD1 3.4Å; F130-W372 HydrophobicContact CE2-CG 4.07Å; F130-W372 AromaticContact CG-CD1 3.71Å; F130-W372 HydrophobicContact CZ-CB 3.74Å; F130-W372 AromaticContact CZ-CD1 3.59Å; F130-W372 AromaticContact CZ-CG 3.86Å; F130-W372 HydrophobicContact CZ-CG 3.86Å |
| 131 | S | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | trans | -67.4 | 143.4 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | Q58 L59 H60 E123 G127 V128 | Q58-S131 CarbonylContact O-C 3.53Å; Q58-S131 WeakPolarHBondContact O-CA 3.26Å; L59-S131 WeakPolarHBondContact CA-OG 3.34Å; H60-S131 PolarHBondContact N-OG 3.32Å; E123-S131 WeakPolarHBondContact CB-OG 3.44Å; E123-S131 PolarHBondContact O-OG 2.95Å; G127-S131 WeakPolarHBondContact CA-O 3.4Å; G127-S131 PolarHBondContact N-O 2.87Å; V128-S131 WeakPolarHBondContact O-CA 3.47Å; V128-S131 VanDerWaalsContact O-CB 3.22Å; V128-S131 WeakPolarHBondContact O-CB 3.44Å; V128-S131 PolarHBondContact O-N 2.77Å | ||
| 132 | Y | 96.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 11% | 0.114 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 161.5 | -175.6 | 71 | -84.9 | 0 | 0 | 0 | 112.9 | Y49 Q58 V134 K365 V368 | Y49-Y132 HydrophobicContact CD1-CD1 4.25Å; Y49-Y132 AromaticContact CD1-CE1 3.81Å; Y49-Y132 HydrophobicContact CD1-CE1 3.81Å; Y49-Y132 AromaticContact CE1-CD1 3.7Å; Y49-Y132 HydrophobicContact CE1-CD1 3.7Å; Y49-Y132 AromaticContact CE1-CE1 3.51Å; Y49-Y132 HydrophobicContact CE1-CE1 3.51Å; Q58-Y132 HydrophobicContact CB-CD1 3.92Å; Q58-Y132 HydrophobicContact CB-CD2 4.4Å; Q58-Y132 HydrophobicContact CB-CE1 3.55Å; Q58-Y132 HydrophobicContact CB-CE2 4.07Å; Q58-Y132 HydrophobicContact CB-CG 4.32Å; Q58-Y132 HydrophobicContact CG-CE1 4.11Å; Q58-Y132 HydrophobicContact CG-CE2 3.93Å; Q58-Y132 PolarHBondContact N-O 3.49Å; Q58-Y132 PolarHBondContact O-N 3.45Å; Y132-V134 HydrophobicContact CE2-CG2 3.97Å; Y132-K365 HydrophobicContact CE1-CD 4.33Å; Y132-K365 WeakPolarHBondContact OH-CD 3.29Å; Y132-K365 PolarHBondContact OH-NZ 3.02Å; Y132-V368 HydrophobicContact CD1-CG1 4.11Å; Y132-V368 HydrophobicContact CD2-CG1 3.73Å; Y132-V368 HydrophobicContact CE2-CG1 4.17Å; Y132-V368 HydrophobicContact CG-CG1 3.71Å |
| 133 | A | 95.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | N56 I57 A126 D135 N136 N137 | N56-A133 CarbonylContact O-C 3.48Å; N56-A133 VanDerWaalsContact O-CA 3.29Å; N56-A133 WeakPolarHBondContact O-CA 3.19Å; I57-A133 HydrophobicContact CD1-CB 4.16Å; A126-A133 HydrophobicContact CB-CB 4.23Å; A133-D135 VanDerWaalsContact C-N 3.25Å; A133-D135 PolarHBondContact O-N 3.1Å; A133-N136 PolarHBondContact O-N 3.42Å; A133-N137 WeakPolarHBondContact CB-O 3.4Å |
| 134 | V | 94.5 | Very high | 96.6 | Very high | 90 Ų | 90 | 36.7 Ų | 36.7 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.9 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | N56 Q58 Y132 N136 | N56-V134 PolarHBondContact O-N 3.09Å; N56-V134 WeakPolarHBondContact OD1-CA 3.49Å; N56-V134 WeakPolarHBondContact OD1-CB 3.19Å; N56-V134 PolarHBondContact OD1-N 2.88Å; Q58-V134 HydrophobicContact CG-CG2 4.2Å; Y132-V134 HydrophobicContact CE2-CG2 3.97Å; V134-N136 VanDerWaalsContact C-N 3.32Å |
| 135 | D | 94.3 | Very high | 96.6 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 48% | 0.476 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.1 | 175.4 | 67.5 | -4.8 | 0 | 0 | 0 | 114.3 | N56 A133 N137 | N56-D135 PolarHBondContact ND2-OD1 2.74Å; N56-D135 PolarHBondContact ND2-OD2 3.42Å; N56-D135 VanDerWaalsContact OD1-CG 3.29Å; N56-D135 PolarHBondContact OD1-N 3.25Å; N56-D135 PolarHBondContact OD1-OD1 3.12Å; A133-D135 VanDerWaalsContact C-N 3.25Å; A133-D135 PolarHBondContact O-N 3.1Å; D135-N137 PolarHBondContact O-N 2.89Å; D135-N137 WeakPolarHBondContact OD1-CB 3.3Å; D135-N137 PolarHBondContact OD1-N 3.29Å |
| 136 | N | 92.6 | Very high | 96.6 | Very high | 133 Ų | 133 | 36.2 Ų | 36.2 | 71% | 0.711 | 20% | 0.203 | S | C | * | . | trans | 61.4 | 11 | -171.3 | -52.8 | -64.5 | 0 | 0 | 0 | 115.4 | A133 V134 I138 | A133-N136 PolarHBondContact O-N 3.42Å; V134-N136 VanDerWaalsContact C-N 3.32Å; N136-I138 PolarHBondContact O-N 3.21Å | ||
| 137 | N | 94.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 38.6 Ų | 38.6 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | trans | -83.3 | 99.5 | 174.6 | -175.1 | 5.8 | 0 | 0 | 0 | 110.5 | A133 D135 T139 | A133-N137 WeakPolarHBondContact CB-O 3.4Å; D135-N137 PolarHBondContact O-N 2.89Å; D135-N137 WeakPolarHBondContact OD1-CB 3.3Å; D135-N137 PolarHBondContact OD1-N 3.29Å; N137-T139 VanDerWaalsContact C-N 3.35Å; N137-T139 VanDerWaalsContact OD1-CB 3.23Å; N137-T139 WeakPolarHBondContact OD1-CB 3.3Å; N137-T139 PolarHBondContact OD1-N 3.09Å; N137-T139 VanDerWaalsContact OD1-N 3.1Å; N137-T139 PolarHBondContact OD1-OG1 2.82Å | ||
| 138 | I | 94.7 | Very high | 96.8 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 16% | 0.159 | 21% | 0.205 | C | C | . | . | trans | -91.9 | 7.1 | 179.1 | 62.3 | 168.2 | 0 | 0 | 0 | 113.4 | N136 T140 E378 V379 | N136-I138 PolarHBondContact O-N 3.21Å; I138-T140 PolarHBondContact O-N 3.18Å; I138-E378 HydrophobicContact CD1-CB 3.47Å; I138-E378 VanDerWaalsContact CD1-CB 3.47Å; I138-V379 HydrophobicContact CB-CG2 4.4Å; I138-V379 HydrophobicContact CD1-CG2 3.92Å | ||
| 139 | T | 95.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 56% | 0.564 | 21% | 0.205 | S | C | * | . | trans | -61.5 | 125.5 | 178.3 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | N137 | N137-T139 VanDerWaalsContact C-N 3.35Å; N137-T139 VanDerWaalsContact OD1-CB 3.23Å; N137-T139 WeakPolarHBondContact OD1-CB 3.3Å; N137-T139 PolarHBondContact OD1-N 3.09Å; N137-T139 VanDerWaalsContact OD1-N 3.1Å; N137-T139 PolarHBondContact OD1-OG1 2.82Å | ||
| 140 | T | 97.5 | Very high | 97 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | trans | -154.3 | 168.1 | -176.5 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | P125 I138 T145 Y383 K384 | P125-T140 HydrophobicContact CB-CG2 3.94Å; P125-T140 HydrophobicContact CG-CG2 3.8Å; I138-T140 PolarHBondContact O-N 3.18Å; T140-T145 PolarHBondContact OG1-OG1 3.04Å; T140-Y383 HydrophobicContact CG2-CD2 3.51Å; T140-Y383 HydrophobicContact CG2-CE2 3.5Å; T140-Y383 VanDerWaalsContact CG2-CE2 3.5Å; T140-K384 PolarHBondContact O-N 3.29Å; T140-K384 VanDerWaalsContact O-N 3.07Å | ||
| 141 | D | 98.4 | Very high | 97 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -140.1 | 178.4 | 173.1 | 70.1 | 7.4 | 0 | 0 | 0 | 111.1 | D143 F144 T145 Y383 K384 N386 | D141-D143 VanDerWaalsContact C-N 3.27Å; D141-D143 PolarHBondContact O-N 3.29Å; D141-D143 PolarHBondContact OD1-N 3.48Å; D141-F144 PolarHBondContact O-N 2.71Å; D141-F144 VanDerWaalsContact OD1-CB 3.25Å; D141-F144 WeakPolarHBondContact OD1-CB 3.48Å; D141-F144 PolarHBondContact OD1-N 2.57Å; D141-T145 WeakPolarHBondContact O-CB 2.96Å; D141-T145 PolarHBondContact O-N 2.83Å; D141-T145 PolarHBondContact O-OG1 3.35Å; D141-Y383 PolarHBondContact O-OH 3.48Å; D141-K384 WeakPolarHBondContact CA-O 3.19Å; D141-K384 HydrophobicContact CB-CB 3.8Å; D141-K384 HydrophobicContact CB-CD 4.33Å; D141-K384 HydrophobicContact CB-CG 4.34Å; D141-K384 VanDerWaalsContact CB-O 3.25Å; D141-K384 WeakPolarHBondContact CB-O 3.19Å; D141-N386 PolarHBondContact OD2-ND2 3.15Å |
| 142 | D | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.6 | -43.2 | -178.7 | -64.8 | -38.1 | 0 | 0 | 0 | 112.5 | A146 Y175 V178 L182 Y383 K384 R385 N386 Y387 | D142-A146 WeakPolarHBondContact O-CB 3.08Å; D142-A146 PolarHBondContact O-N 3.38Å; D142-Y175 WeakPolarHBondContact OD1-CE1 3.4Å; D142-Y175 PolarHBondContact OD1-OH 2.88Å; D142-V178 HydrophobicContact CB-CG1 4.05Å; D142-V178 WeakPolarHBondContact OD1-CG1 3.35Å; D142-L182 HydrophobicContact CB-CD1 3.67Å; D142-Y383 WeakPolarHBondContact CA-OH 3.46Å; D142-Y383 PolarHBondContact N-OH 3.33Å; D142-Y383 VanDerWaalsContact OD1-CE1 3.32Å; D142-Y383 WeakPolarHBondContact OD1-CE1 3.47Å; D142-K384 PolarHBondContact N-O 3.25Å; D142-R385 WeakPolarHBondContact OD2-CA 3.37Å; D142-N386 HydrophobicContact CB-CB 4.26Å; D142-N386 WeakPolarHBondContact OD2-CA 3.42Å; D142-N386 PolarHBondContact OD2-N 3.24Å; D142-Y387 HydrophobicContact CB-CD2 3.82Å; D142-Y387 HydrophobicContact CB-CE2 3.92Å; D142-Y387 WeakPolarHBondContact OD2-CD2 3.4Å; D142-Y387 PolarHBondContact OD2-N 3Å |
| 143 | D | 98.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76 | -40.8 | -175 | -65.4 | -56.9 | 0 | 0 | 0 | 111.8 | D141 A146 L147 N386 Y387 | D141-D143 VanDerWaalsContact C-N 3.27Å; D141-D143 PolarHBondContact O-N 3.29Å; D141-D143 PolarHBondContact OD1-N 3.48Å; D143-A146 PolarHBondContact O-N 3.26Å; D143-L147 WeakPolarHBondContact O-CB 3.33Å; D143-L147 PolarHBondContact O-N 2.89Å; D143-N386 PolarHBondContact OD2-ND2 3.1Å; D143-Y387 WeakPolarHBondContact OD1-CE2 3.44Å; D143-Y387 PolarHBondContact OD1-OH 3.33Å; D143-Y387 PolarHBondContact OD2-OH 2.94Å |
| 144 | F | 98.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.4 | -37 | 177.2 | -169.1 | -129.6 | 0 | 0 | 0 | 111.5 | S53 I57 D141 L147 N148 | S53-F144 WeakPolarHBondContact OG-CE2 3.39Å; I57-F144 HydrophobicContact CG1-CZ 4.38Å; D141-F144 PolarHBondContact O-N 2.71Å; D141-F144 VanDerWaalsContact OD1-CB 3.25Å; D141-F144 WeakPolarHBondContact OD1-CB 3.48Å; D141-F144 PolarHBondContact OD1-N 2.57Å; F144-L147 HydrophobicContact CD2-CD2 4.35Å; F144-L147 PolarHBondContact O-N 2.86Å; F144-N148 WeakPolarHBondContact CD1-ND2 3.33Å; F144-N148 VanDerWaalsContact CE1-ND2 3.27Å; F144-N148 WeakPolarHBondContact CE1-ND2 3.5Å; F144-N148 WeakPolarHBondContact CE2-ND2 3.05Å; F144-N148 VanDerWaalsContact CZ-ND2 3.3Å; F144-N148 WeakPolarHBondContact CZ-ND2 3.45Å; F144-N148 WeakPolarHBondContact O-CB 3.08Å; F144-N148 PolarHBondContact O-N 2.82Å; F144-N148 PolarHBondContact O-ND2 2.64Å |
| 145 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 170.2 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | P125 T140 D141 L147 N148 N149 Y179 Y383 | P125-T145 HydrophobicContact CB-CG2 4.37Å; T140-T145 PolarHBondContact OG1-OG1 3.04Å; D141-T145 WeakPolarHBondContact O-CB 2.96Å; D141-T145 PolarHBondContact O-N 2.83Å; D141-T145 PolarHBondContact O-OG1 3.35Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 3.07Å; T145-N148 PolarHBondContact O-N 3.08Å; T145-N149 WeakPolarHBondContact O-CB 3.23Å; T145-N149 PolarHBondContact O-N 3.12Å; T145-N149 PolarHBondContact O-OD1 3.35Å; T145-Y179 HydrophobicContact CG2-CD1 4.1Å; T145-Y179 HydrophobicContact CG2-CE1 4.07Å; T145-Y383 VanDerWaalsContact CB-OH 3.28Å; T145-Y383 WeakPolarHBondContact CB-OH 3.3Å; T145-Y383 WeakPolarHBondContact OG1-CE2 3.44Å; T145-Y383 PolarHBondContact OG1-OH 3.48Å |
| 146 | A | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D142 D143 N149 Y150 L182 | D142-A146 WeakPolarHBondContact O-CB 3.08Å; D142-A146 PolarHBondContact O-N 3.38Å; D143-A146 PolarHBondContact O-N 3.26Å; A146-N149 PolarHBondContact O-N 3.03Å; A146-Y150 WeakPolarHBondContact O-CB 3.15Å; A146-Y150 PolarHBondContact O-N 3.29Å; A146-L182 HydrophobicContact CB-CB 3.59Å |
| 147 | L | 98.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 29.3 Ų | 29.3 | 30% | 0.304 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.4 | -177.1 | 67.8 | 0 | 0 | 0 | 111.8 | D143 F144 T145 Y150 H151 | D143-L147 WeakPolarHBondContact O-CB 3.33Å; D143-L147 PolarHBondContact O-N 2.89Å; F144-L147 HydrophobicContact CD2-CD2 4.35Å; F144-L147 PolarHBondContact O-N 2.86Å; T145-L147 VanDerWaalsContact C-N 3.34Å; T145-L147 PolarHBondContact O-N 3.07Å; L147-Y150 PolarHBondContact O-N 3.19Å; L147-H151 PolarHBondContact O-CD2 3.37Å; L147-H151 PolarHBondContact O-N 3.45Å |
| 148 | N | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.1 | -75.6 | -46.2 | 0 | 0 | 0 | 111.7 | S53 I57 F144 T145 Y150 H151 A152 | S53-N148 WeakPolarHBondContact CB-OD1 3.4Å; S53-N148 PolarHBondContact N-OD1 3.09Å; S53-N148 PolarHBondContact OG-OD1 2.83Å; I57-N148 HydrophobicContact CG2-CB 4.22Å; F144-N148 WeakPolarHBondContact CD1-ND2 3.33Å; F144-N148 VanDerWaalsContact CE1-ND2 3.27Å; F144-N148 WeakPolarHBondContact CE1-ND2 3.5Å; F144-N148 WeakPolarHBondContact CE2-ND2 3.05Å; F144-N148 VanDerWaalsContact CZ-ND2 3.3Å; F144-N148 WeakPolarHBondContact CZ-ND2 3.45Å; F144-N148 WeakPolarHBondContact O-CB 3.08Å; F144-N148 PolarHBondContact O-N 2.82Å; F144-N148 PolarHBondContact O-ND2 2.64Å; T145-N148 PolarHBondContact O-N 3.08Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; N148-Y150 PolarHBondContact O-N 3.19Å; N148-H151 PolarHBondContact O-N 2.95Å; N148-A152 WeakPolarHBondContact O-CB 3.35Å; N148-A152 PolarHBondContact O-N 3.49Å |
| 149 | N | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.2 | -68.9 | 0.5 | 0 | 0 | 0 | 111.5 | L59 L122 A124 T145 A146 A152 L153 L183 | L59-N149 WeakPolarHBondContact CD1-OD1 3.42Å; L122-N149 HydrophobicContact CD2-CB 4.3Å; A124-N149 WeakPolarHBondContact CB-OD1 2.95Å; T145-N149 WeakPolarHBondContact O-CB 3.23Å; T145-N149 PolarHBondContact O-N 3.12Å; T145-N149 PolarHBondContact O-OD1 3.35Å; A146-N149 PolarHBondContact O-N 3.03Å; N149-A152 PolarHBondContact O-N 3.24Å; N149-L153 WeakPolarHBondContact O-CG 3.44Å; N149-L153 PolarHBondContact O-N 3.45Å; N149-L183 HydrophobicContact CB-CD1 4Å; N149-L183 HydrophobicContact CB-CD2 4.12Å |
| 150 | Y | 98.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 28 Ų | 28 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 175.4 | 175.2 | -114.2 | 0 | 0 | 0 | 112 | A146 L147 N148 A152 L153 L154 H186 V187 S190 | A146-Y150 WeakPolarHBondContact O-CB 3.15Å; A146-Y150 PolarHBondContact O-N 3.29Å; L147-Y150 PolarHBondContact O-N 3.19Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; N148-Y150 PolarHBondContact O-N 3.19Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.91Å; Y150-L153 WeakPolarHBondContact O-CB 3.5Å; Y150-L153 PolarHBondContact O-N 2.89Å; Y150-L154 HydrophobicContact CD1-CD1 4.4Å; Y150-L154 HydrophobicContact CE1-CD1 3.77Å; Y150-L154 HydrophobicContact CE1-CG 4.3Å; Y150-L154 HydrophobicContact CE2-CD2 4.16Å; Y150-L154 HydrophobicContact CE2-CG 4.4Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 3.33Å; Y150-L154 VanDerWaalsContact O-N 3.08Å; Y150-H186 HydrophobicContact CD1-CB 4.23Å; Y150-H186 HydrophobicContact CD2-CB 3.78Å; Y150-H186 HydrophobicContact CE2-CB 4.4Å; Y150-H186 HydrophobicContact CG-CB 3.69Å; Y150-V187 HydrophobicContact CD2-CG2 3.97Å; Y150-V187 HydrophobicContact CE2-CG2 4.36Å; Y150-S190 WeakPolarHBondContact OH-CB 3.49Å; Y150-S190 PolarHBondContact OH-OG 2.92Å |
| 151 | H | 98.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67 | -33.7 | 177.5 | -82.7 | -104.1 | 0 | 0 | 0 | 112.9 | N51 G52 L147 N148 L153 L154 N155 | N51-H151 CarbonylContact O-C 3.59Å; G52-H151 VanDerWaalsContact O-CB 3.27Å; G52-H151 WeakPolarHBondContact O-CB 3.24Å; L147-H151 PolarHBondContact O-CD2 3.37Å; L147-H151 PolarHBondContact O-N 3.45Å; N148-H151 PolarHBondContact O-N 2.95Å; H151-L153 VanDerWaalsContact C-N 3.31Å; H151-L153 PolarHBondContact O-N 3.48Å; H151-L154 WeakPolarHBondContact O-CB 3.37Å; H151-L154 PolarHBondContact O-N 2.88Å; H151-L154 VanDerWaalsContact O-N 3.14Å; H151-N155 PolarHBondContact O-N 3.45Å; H151-N155 PolarHBondContact O-ND2 3.28Å; H151-N155 VanDerWaalsContact O-ND2 3.12Å |
| 152 | A | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -42.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L50 N51 L59 L122 N148 N149 Y150 L154 N155 F156 | L50-A152 HydrophobicContact CB-CB 3.91Å; L50-A152 HydrophobicContact CD1-CB 4.4Å; N51-A152 VanDerWaalsContact O-CA 3.3Å; N51-A152 WeakPolarHBondContact O-CA 3.25Å; N51-A152 PolarHBondContact O-N 2.99Å; L59-A152 HydrophobicContact CD1-CB 3.91Å; L122-A152 HydrophobicContact CD2-CB 4.47Å; N148-A152 WeakPolarHBondContact O-CB 3.35Å; N148-A152 PolarHBondContact O-N 3.49Å; N149-A152 PolarHBondContact O-N 3.24Å; Y150-A152 VanDerWaalsContact C-N 3.33Å; Y150-A152 PolarHBondContact O-N 2.91Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 2.91Å; A152-N155 CarbonylContact O-C 3.51Å; A152-N155 PolarHBondContact O-N 3.04Å; A152-F156 WeakPolarHBondContact O-CB 3.27Å; A152-F156 PolarHBondContact O-N 3.46Å |
| 153 | L | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -37.5 | 172.7 | -69.1 | 175.3 | 0 | 0 | 0 | 112.9 | L77 L120 N149 Y150 H151 F156 L157 F168 L183 V187 L193 | L77-L153 HydrophobicContact CD2-CD1 4.25Å; L77-L153 HydrophobicContact CD2-CD2 4.28Å; L120-L153 HydrophobicContact CD2-CD2 3.9Å; N149-L153 WeakPolarHBondContact O-CG 3.44Å; N149-L153 PolarHBondContact O-N 3.45Å; Y150-L153 WeakPolarHBondContact O-CB 3.5Å; Y150-L153 PolarHBondContact O-N 2.89Å; H151-L153 VanDerWaalsContact C-N 3.31Å; H151-L153 PolarHBondContact O-N 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.49Å; L153-F156 PolarHBondContact O-N 3.38Å; L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 2.97Å; L153-F168 HydrophobicContact CD1-CE1 3.95Å; L153-F168 HydrophobicContact CD1-CZ 3.79Å; L153-F168 HydrophobicContact CD2-CZ 4.07Å; L153-L183 HydrophobicContact CD1-CD1 4.13Å; L153-L183 HydrophobicContact CD1-CD2 4.16Å; L153-L183 HydrophobicContact CD1-CG 4.45Å; L153-V187 HydrophobicContact CD1-CG2 4.14Å; L153-L193 HydrophobicContact CB-CD1 4.04Å; L153-L193 HydrophobicContact CD1-CD1 3.99Å |
| 154 | L | 97.3 | Very high | 97.4 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 174.8 | -61.8 | -172.2 | 0 | 0 | 0 | 112 | Y150 H151 A152 F156 L157 K158 | Y150-L154 HydrophobicContact CD1-CD1 4.4Å; Y150-L154 HydrophobicContact CE1-CD1 3.77Å; Y150-L154 HydrophobicContact CE1-CG 4.3Å; Y150-L154 HydrophobicContact CE2-CD2 4.16Å; Y150-L154 HydrophobicContact CE2-CG 4.4Å; Y150-L154 WeakPolarHBondContact O-CG 3.49Å; Y150-L154 PolarHBondContact O-N 3.33Å; Y150-L154 VanDerWaalsContact O-N 3.08Å; H151-L154 WeakPolarHBondContact O-CB 3.37Å; H151-L154 PolarHBondContact O-N 2.88Å; H151-L154 VanDerWaalsContact O-N 3.14Å; A152-L154 VanDerWaalsContact C-N 3.34Å; A152-L154 PolarHBondContact O-N 2.91Å; L154-F156 VanDerWaalsContact C-N 3.32Å; L154-L157 PolarHBondContact O-N 2.6Å; L154-K158 PolarHBondContact O-N 3.32Å |
| 155 | N | 97 | Very high | 97.2 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.9 | -29.7 | 175.4 | -72.7 | -51.9 | 0 | 0 | 0 | 112 | N51 H151 A152 K158 R159 | N51-N155 PolarHBondContact O-ND2 2.93Å; H151-N155 PolarHBondContact O-N 3.45Å; H151-N155 PolarHBondContact O-ND2 3.28Å; H151-N155 VanDerWaalsContact O-ND2 3.12Å; A152-N155 CarbonylContact O-C 3.51Å; A152-N155 PolarHBondContact O-N 3.04Å; N155-K158 PolarHBondContact O-N 2.94Å; N155-K158 PolarHBondContact OD1-NZ 3.25Å; N155-R159 PolarHBondContact O-N 3.32Å |
| 156 | F | 97.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 169.9 | 172.1 | -94.4 | 0 | 0 | 0 | 110.7 | L50 L63 L75 L120 A152 L153 L154 K158 R159 F160 Y163 | L50-F156 HydrophobicContact CD1-CB 3.84Å; L50-F156 HydrophobicContact CD1-CD2 4.36Å; L50-F156 HydrophobicContact CD2-CB 4.01Å; L63-F156 HydrophobicContact CD1-CE2 4.5Å; L63-F156 HydrophobicContact CD1-CZ 4.33Å; L63-F156 HydrophobicContact CD2-CE2 4.04Å; L63-F156 HydrophobicContact CD2-CZ 4.07Å; L75-F156 HydrophobicContact CD1-CE1 4.37Å; L75-F156 HydrophobicContact CD1-CZ 4.23Å; L75-F156 HydrophobicContact CD2-CD1 4.39Å; L75-F156 HydrophobicContact CD2-CE1 3.68Å; L75-F156 HydrophobicContact CD2-CZ 4.36Å; L120-F156 HydrophobicContact CD1-CD2 4.19Å; L120-F156 HydrophobicContact CD1-CE2 4Å; L120-F156 HydrophobicContact CD2-CD2 4.06Å; L120-F156 HydrophobicContact CD2-CE2 4.17Å; L120-F156 HydrophobicContact CD2-CG 4.23Å; L120-F156 HydrophobicContact CD2-CZ 4.46Å; A152-F156 WeakPolarHBondContact O-CB 3.27Å; A152-F156 PolarHBondContact O-N 3.46Å; L153-F156 WeakPolarHBondContact O-CB 3.49Å; L153-F156 PolarHBondContact O-N 3.38Å; L154-F156 VanDerWaalsContact C-N 3.32Å; F156-K158 PolarHBondContact O-N 3.28Å; F156-R159 CarbonylContact O-C 3.59Å; F156-R159 WeakPolarHBondContact O-CA 3.24Å; F156-R159 WeakPolarHBondContact O-CB 3.41Å; F156-R159 PolarHBondContact O-N 3.3Å; F156-F160 AromaticContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CD2 3.53Å; F156-F160 AromaticContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CE1-CB 4.34Å; F156-F160 HydrophobicContact CE2-CB 4.42Å; F156-F160 AromaticContact CE2-CD2 3.32Å; F156-F160 HydrophobicContact CE2-CD2 3.32Å; F156-F160 AromaticContact CE2-CE2 3.66Å; F156-F160 HydrophobicContact CE2-CE2 3.66Å; F156-F160 AromaticContact CE2-CG 3.98Å; F156-F160 HydrophobicContact CE2-CG 3.98Å; F156-F160 HydrophobicContact CG-CD2 4.23Å; F156-F160 HydrophobicContact CZ-CB 4.12Å; F156-F160 AromaticContact CZ-CD2 3.88Å; F156-F160 HydrophobicContact CZ-CD2 3.88Å; F156-F160 HydrophobicContact CZ-CG 4.1Å; F156-F160 PolarHBondContact O-N 2.82Å; F156-Y163 AromaticContact CE1-CD2 3.7Å; F156-Y163 HydrophobicContact CE1-CD2 3.7Å; F156-Y163 HydrophobicContact CE1-CE2 4.44Å; F156-Y163 HydrophobicContact CE1-CG 4.01Å; F156-Y163 AromaticContact CZ-CD2 3.65Å; F156-Y163 HydrophobicContact CZ-CD2 3.65Å; F156-Y163 AromaticContact CZ-CE2 3.94Å; F156-Y163 HydrophobicContact CZ-CE2 3.94Å; F156-Y163 HydrophobicContact CZ-CG 4.3Å |
| 157 | L | 96.7 | Very high | 97 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -26.2 | 177.8 | -69.4 | -177.3 | 0 | 0 | 0 | 113.9 | L153 L154 R159 F160 P161 Q192 L193 | L153-L157 WeakPolarHBondContact O-CG 3.26Å; L153-L157 PolarHBondContact O-N 2.97Å; L154-L157 PolarHBondContact O-N 2.6Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-F160 CarbonylContact O-C 3.44Å; L157-P161 VanDerWaalsContact O-CA 3.25Å; L157-P161 WeakPolarHBondContact O-CA 3.46Å; L157-Q192 HydrophobicContact CD1-CB 3.72Å; L157-Q192 WeakPolarHBondContact CD1-O 3.14Å; L157-L193 HydrophobicContact CD1-CD2 3.79Å; L157-L193 HydrophobicContact CD1-CG 3.89Å; L157-L193 HydrophobicContact CD2-CD2 4.03Å; L157-L193 HydrophobicContact CG-CD2 4.18Å |
| 158 | K | 95.1 | Very high | 97 | Very high | 144 Ų | 144 | 38.8 Ų | 38.8 | 63% | 0.626 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -69.2 | -33.6 | 171 | -65.2 | 175.4 | -172 | 165.1 | 0 | 111.9 | S22 L154 N155 F156 | S22-K158 WeakPolarHBondContact CB-O 3.5Å; L154-K158 PolarHBondContact O-N 3.32Å; N155-K158 PolarHBondContact O-N 2.94Å; N155-K158 PolarHBondContact OD1-NZ 3.25Å; F156-K158 PolarHBondContact O-N 3.28Å |
| 159 | R | 94.5 | Very high | 97 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -82.4 | -35.7 | -179.2 | -169 | 166.8 | -57.5 | 152.7 | 11.3 | 112.4 | L25 D29 Y49 N155 F156 L157 P161 | L25-R159 HydrophobicContact CB-CG 4.06Å; D29-R159 WeakPolarHBondContact OD2-CD 3.3Å; D29-R159 IonicContact OD2-CZ 3.46Å; D29-R159 IonicContact OD2-NE 2.91Å; D29-R159 IonicContact OD2-NH1 3.7Å; D29-R159 PolarHBondContact OD2-NH1 3.16Å; Y49-R159 VanDerWaalsContact O-CZ 3.25Å; Y49-R159 PolarHBondContact O-NH1 2.86Å; Y49-R159 PolarHBondContact O-NH2 3.27Å; N155-R159 PolarHBondContact O-N 3.32Å; F156-R159 CarbonylContact O-C 3.59Å; F156-R159 WeakPolarHBondContact O-CA 3.24Å; F156-R159 WeakPolarHBondContact O-CB 3.41Å; F156-R159 PolarHBondContact O-N 3.3Å; L157-R159 VanDerWaalsContact C-N 3.32Å; R159-P161 VanDerWaalsContact C-CD 3.47Å; R159-P161 WeakPolarHBondContact O-CD 3.43Å |
| 160 | F | 96.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -124.8 | 70.2 | 179.6 | -55 | -93.9 | 0 | 0 | 0 | 110.4 | K26 F46 Y61 L63 F156 L157 E162 Y163 | K26-F160 HydrophobicContact CB-CD1 4.49Å; K26-F160 HydrophobicContact CB-CE1 4.28Å; K26-F160 HydrophobicContact CD-CD1 3.72Å; K26-F160 HydrophobicContact CD-CE1 3.84Å; K26-F160 HydrophobicContact CG-CD1 3.97Å; K26-F160 HydrophobicContact CG-CE1 3.63Å; K26-F160 HydrophobicContact CG-CZ 4.48Å; F46-F160 HydrophobicContact CB-CE1 4.19Å; F46-F160 HydrophobicContact CB-CZ 3.8Å; F46-F160 AromaticContact CD1-CE1 3.92Å; F46-F160 HydrophobicContact CD1-CE1 3.92Å; F46-F160 HydrophobicContact CD1-CZ 4.19Å; F46-F160 AromaticContact CD2-CE1 3.92Å; F46-F160 HydrophobicContact CD2-CE1 3.92Å; F46-F160 HydrophobicContact CD2-CZ 4.38Å; F46-F160 HydrophobicContact CE1-CE1 4.34Å; F46-F160 HydrophobicContact CE2-CE1 4.34Å; F46-F160 AromaticContact CG-CE1 3.73Å; F46-F160 HydrophobicContact CG-CE1 3.73Å; F46-F160 AromaticContact CG-CZ 3.86Å; F46-F160 HydrophobicContact CG-CZ 3.86Å; Y61-F160 AromaticContact CE2-CE2 3.85Å; Y61-F160 HydrophobicContact CE2-CE2 3.85Å; Y61-F160 HydrophobicContact CE2-CZ 4.06Å; Y61-F160 AromaticContact CZ-CE2 3.8Å; Y61-F160 VanDerWaalsContact OH-CE2 3.26Å; Y61-F160 WeakPolarHBondContact OH-CE2 3.48Å; Y61-F160 VanDerWaalsContact OH-CZ 3.25Å; Y61-F160 WeakPolarHBondContact OH-CZ 3.45Å; L63-F160 HydrophobicContact CD2-CD1 4.1Å; L63-F160 HydrophobicContact CD2-CE1 3.87Å; L63-F160 HydrophobicContact CD2-CZ 4.18Å; F156-F160 AromaticContact CD2-CD2 3.53Å; F156-F160 HydrophobicContact CD2-CD2 3.53Å; F156-F160 AromaticContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CE1-CB 4.34Å; F156-F160 HydrophobicContact CE2-CB 4.42Å; F156-F160 AromaticContact CE2-CD2 3.32Å; F156-F160 HydrophobicContact CE2-CD2 3.32Å; F156-F160 AromaticContact CE2-CE2 3.66Å; F156-F160 HydrophobicContact CE2-CE2 3.66Å; F156-F160 AromaticContact CE2-CG 3.98Å; F156-F160 HydrophobicContact CE2-CG 3.98Å; F156-F160 HydrophobicContact CG-CD2 4.23Å; F156-F160 HydrophobicContact CZ-CB 4.12Å; F156-F160 AromaticContact CZ-CD2 3.88Å; F156-F160 HydrophobicContact CZ-CD2 3.88Å; F156-F160 HydrophobicContact CZ-CG 4.1Å; F156-F160 PolarHBondContact O-N 2.82Å; L157-F160 CarbonylContact O-C 3.44Å; F160-E162 VanDerWaalsContact CA-OE2 3.26Å; F160-E162 WeakPolarHBondContact CA-OE2 3.16Å; F160-E162 PolarHBondContact O-N 3.08Å; F160-E162 VanDerWaalsContact O-N 3.11Å; F160-Y163 HydrophobicContact CB-CD2 3.5Å; F160-Y163 VanDerWaalsContact CB-CD2 3.5Å; F160-Y163 HydrophobicContact CB-CE2 3.9Å; F160-Y163 HydrophobicContact CD1-CE2 4.32Å; F160-Y163 HydrophobicContact CG-CD2 4.35Å; F160-Y163 HydrophobicContact CG-CE2 4.34Å; F160-Y163 PolarHBondContact O-N 3.46Å; F160-Y163 VanDerWaalsContact O-N 3.1Å | ||
| 161 | P | 95.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 32% | 0.318 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -60 | -20.5 | -176.9 | 25.5 | -35.3 | 0 | 0 | 0 | 113.8 | L157 R159 Y163 Y164 | L157-P161 VanDerWaalsContact O-CA 3.25Å; L157-P161 WeakPolarHBondContact O-CA 3.46Å; R159-P161 VanDerWaalsContact C-CD 3.47Å; R159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-Y163 PolarHBondContact O-N 3.42Å; P161-Y163 VanDerWaalsContact O-N 3.17Å; P161-Y164 WeakPolarHBondContact O-CB 3.29Å; P161-Y164 PolarHBondContact O-N 3.21Å |
| 162 | E | 94.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 34.2 Ų | 34.2 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -63.6 | -13 | 174.4 | 65.6 | -92.2 | -144.1 | 0 | 0 | 114.8 | K26 F160 R166 | K26-E162 IonicContact NZ-OE1 3.98Å; K26-E162 PolarHBondContact NZ-OE1 3.44Å; F160-E162 VanDerWaalsContact CA-OE2 3.26Å; F160-E162 WeakPolarHBondContact CA-OE2 3.16Å; F160-E162 PolarHBondContact O-N 3.08Å; F160-E162 VanDerWaalsContact O-N 3.11Å; E162-R166 PolarHBondContact O-NH2 3.47Å; E162-R166 VanDerWaalsContact O-NH2 3.09Å |
| 163 | Y | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -94.5 | -0.2 | 172.4 | -66 | -73 | 0 | 0 | 0 | 113.7 | L63 L75 N118 F156 F160 P161 Q165 R166 | L63-Y163 HydrophobicContact CD2-CE2 3.92Å; L75-Y163 HydrophobicContact CB-CD1 4.12Å; L75-Y163 HydrophobicContact CD1-CD1 4.3Å; L75-Y163 HydrophobicContact CD1-CE1 4.3Å; L75-Y163 HydrophobicContact CD2-CD1 4.44Å; L75-Y163 HydrophobicContact CD2-CG 4.44Å; N118-Y163 HydrophobicContact CB-CE1 3.8Å; N118-Y163 VanDerWaalsContact CG-OH 3.27Å; N118-Y163 PolarHBondContact OD1-OH 2.89Å; F156-Y163 AromaticContact CE1-CD2 3.7Å; F156-Y163 HydrophobicContact CE1-CD2 3.7Å; F156-Y163 HydrophobicContact CE1-CE2 4.44Å; F156-Y163 HydrophobicContact CE1-CG 4.01Å; F156-Y163 AromaticContact CZ-CD2 3.65Å; F156-Y163 HydrophobicContact CZ-CD2 3.65Å; F156-Y163 AromaticContact CZ-CE2 3.94Å; F156-Y163 HydrophobicContact CZ-CE2 3.94Å; F156-Y163 HydrophobicContact CZ-CG 4.3Å; F160-Y163 HydrophobicContact CB-CD2 3.5Å; F160-Y163 VanDerWaalsContact CB-CD2 3.5Å; F160-Y163 HydrophobicContact CB-CE2 3.9Å; F160-Y163 HydrophobicContact CD1-CE2 4.32Å; F160-Y163 HydrophobicContact CG-CD2 4.35Å; F160-Y163 HydrophobicContact CG-CE2 4.34Å; F160-Y163 PolarHBondContact O-N 3.46Å; F160-Y163 VanDerWaalsContact O-N 3.1Å; P161-Y163 PolarHBondContact O-N 3.42Å; P161-Y163 VanDerWaalsContact O-N 3.17Å; Y163-Q165 PolarHBondContact O-N 3.47Å; Y163-R166 HydrophobicContact CD1-CB 4.36Å; Y163-R166 HydrophobicContact CD1-CG 4.13Å; Y163-R166 WeakPolarHBondContact O-CB 3.49Å; Y163-R166 PolarHBondContact O-N 3.06Å |
| 164 | Y | 96.6 | Very high | 97.1 | Very high | 117 Ų | 117 | 35 Ų | 35 | 46% | 0.459 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 127.4 | 175.5 | -172.9 | -90.4 | 0 | 0 | 0 | 110.5 | P161 R166 Q192 | P161-Y164 WeakPolarHBondContact O-CB 3.29Å; P161-Y164 PolarHBondContact O-N 3.21Å; Y164-R166 PolarHBondContact O-N 3.47Å; Y164-R166 VanDerWaalsContact O-N 3.09Å; Y164-Q192 HydrophobicContact CD2-CB 4.31Å; Y164-Q192 HydrophobicContact CE2-CB 3.86Å; Y164-Q192 HydrophobicContact CE2-CG 3.88Å |
| 165 | Q | 95.6 | Very high | 97.2 | Very high | 111 Ų | 111 | 33.8 Ų | 33.8 | 52% | 0.519 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 11.8 | -174.2 | -68.9 | -179.3 | 2.7 | 0 | 0 | 116.3 | Y163 Q192 N194 | Y163-Q165 PolarHBondContact O-N 3.47Å; Q165-Q192 PolarHBondContact N-O 2.86Å; Q165-N194 WeakPolarHBondContact O-CB 3.09Å |
| 166 | R | 96.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 32.2 Ų | 32.2 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | trans | -56.6 | 142.8 | 171.1 | -172.8 | 67.7 | 63.3 | 175.8 | -2.1 | 110.2 | E71 E72 A73 L75 E162 Y163 Y164 F168 N194 | E71-R166 VanDerWaalsContact C-NH1 3.29Å; E71-R166 PolarHBondContact O-NH1 3.42Å; E71-R166 PolarHBondContact O-NH2 3.06Å; E72-R166 VanDerWaalsContact C-NH1 3.33Å; E72-R166 VanDerWaalsContact CA-NH1 3.31Å; E72-R166 PolarHBondContact O-NH1 3.31Å; E72-R166 VanDerWaalsContact O-NH1 3.15Å; A73-R166 WeakPolarHBondContact O-CD 3.33Å; L75-R166 HydrophobicContact CB-CG 4.18Å; E162-R166 PolarHBondContact O-NH2 3.47Å; E162-R166 VanDerWaalsContact O-NH2 3.09Å; Y163-R166 HydrophobicContact CD1-CB 4.36Å; Y163-R166 HydrophobicContact CD1-CG 4.13Å; Y163-R166 WeakPolarHBondContact O-CB 3.49Å; Y163-R166 PolarHBondContact O-N 3.06Å; Y164-R166 PolarHBondContact O-N 3.47Å; Y164-R166 VanDerWaalsContact O-N 3.09Å; R166-F168 PolarHBondContact O-N 2.78Å; R166-N194 WeakPolarHBondContact O-CB 3.27Å | ||
| 167 | D | 97.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 32.2 Ų | 32.2 | 29% | 0.294 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 115.2 | 166.2 | -85 | 14.7 | 0 | 0 | 0 | 109.2 | P74 L75 N194 R196 | P74-D167 CarbonylContact C-O 3.58Å; P74-D167 VanDerWaalsContact CA-O 3.31Å; P74-D167 WeakPolarHBondContact CA-O 3.26Å; P74-D167 HydrophobicContact CB-CB 4.19Å; P74-D167 VanDerWaalsContact CB-O 3.29Å; P74-D167 WeakPolarHBondContact CB-O 3.44Å; L75-D167 PolarHBondContact N-O 2.72Å; D167-N194 PolarHBondContact OD1-ND2 2.99Å; D167-R196 HydrophobicContact CB-CG 3.76Å; D167-R196 IonicContact OD1-CZ 3.27Å; D167-R196 VanDerWaalsContact OD1-CZ 3.27Å; D167-R196 IonicContact OD1-NE 2.76Å; D167-R196 PolarHBondContact OD1-NE 2.57Å; D167-R196 IonicContact OD1-NH2 2.88Å; D167-R196 PolarHBondContact OD1-NH2 3.34Å; D167-R196 IonicContact OD2-NE 3.32Å; D167-R196 PolarHBondContact OD2-NE 3.13Å; D167-R196 IonicContact OD2-NH2 3.84Å |
| 168 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.4 | -168.7 | 178.9 | -125.9 | 0 | 0 | 0 | 111.2 | L75 L77 L153 R166 I170 V187 L193 N194 L195 R196 | L75-F168 HydrophobicContact CB-CD2 3.94Å; L75-F168 HydrophobicContact CD2-CD2 3.74Å; L75-F168 HydrophobicContact CD2-CE2 3.92Å; L75-F168 HydrophobicContact CG-CD2 3.75Å; L75-F168 HydrophobicContact CG-CE2 3.99Å; L75-F168 CarbonylContact O-C 3.57Å; L75-F168 WeakPolarHBondContact O-CA 3.36Å; L75-F168 WeakPolarHBondContact O-CD2 3.49Å; L77-F168 HydrophobicContact CB-CE2 3.77Å; L77-F168 HydrophobicContact CB-CZ 3.79Å; L77-F168 HydrophobicContact CD2-CZ 4.28Å; L153-F168 HydrophobicContact CD1-CE1 3.95Å; L153-F168 HydrophobicContact CD1-CZ 3.79Å; L153-F168 HydrophobicContact CD2-CZ 4.07Å; R166-F168 PolarHBondContact O-N 2.78Å; F168-I170 HydrophobicContact CD1-CG1 4.24Å; F168-I170 HydrophobicContact CE1-CD1 3.95Å; F168-I170 HydrophobicContact CE1-CG1 3.44Å; F168-I170 VanDerWaalsContact CE1-CG1 3.44Å; F168-I170 HydrophobicContact CZ-CG1 3.69Å; F168-V187 HydrophobicContact CD1-CG1 4.12Å; F168-V187 HydrophobicContact CE1-CG1 4.24Å; F168-V187 HydrophobicContact CE1-CG2 4.37Å; F168-L193 HydrophobicContact CD1-CB 4.09Å; F168-L193 HydrophobicContact CD1-CD1 4.1Å; F168-L193 HydrophobicContact CD1-CD2 4.21Å; F168-L193 HydrophobicContact CD1-CG 4.37Å; F168-L193 HydrophobicContact CE1-CD1 3.98Å; F168-L193 HydrophobicContact CG-CD2 4.22Å; F168-N194 PolarHBondContact N-O 3.34Å; F168-L195 HydrophobicContact CD1-CD1 4.06Å; F168-L195 CarbonylContact O-C 3.55Å; F168-L195 WeakPolarHBondContact O-CA 3.22Å; F168-R196 PolarHBondContact O-N 2.96Å |
| 169 | Y | 98.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.2 | 175.3 | -63.1 | -95.9 | 0 | 0 | 0 | 110 | P74 L75 V76 L77 R196 G197 F490 L491 | P74-Y169 HydrophobicContact CB-CD2 4.13Å; P74-Y169 HydrophobicContact CB-CE2 3.97Å; L75-Y169 PolarHBondContact O-N 2.9Å; V76-Y169 WeakPolarHBondContact CA-O 3.48Å; V76-Y169 HydrophobicContact CG2-CD2 4.43Å; L77-Y169 PolarHBondContact N-O 3.28Å; Y169-R196 HydrophobicContact CD1-CB 4.18Å; Y169-R196 HydrophobicContact CD2-CB 4.38Å; Y169-R196 HydrophobicContact CE1-CB 3.58Å; Y169-R196 HydrophobicContact CE2-CB 3.81Å; Y169-R196 HydrophobicContact CE2-CG 4.38Å; Y169-G197 WeakPolarHBondContact CA-O 3.36Å; Y169-F490 HydrophobicContact CD1-CD1 4.41Å; Y169-F490 AromaticContact CD1-CE1 3.67Å; Y169-F490 HydrophobicContact CD1-CE1 3.67Å; Y169-F490 HydrophobicContact CD1-CZ 4.28Å; Y169-F490 HydrophobicContact CE1-CE1 4Å; Y169-F490 HydrophobicContact CE1-CZ 4.44Å; Y169-L491 HydrophobicContact CD1-CD2 3.76Å; Y169-L491 HydrophobicContact CD2-CD2 3.53Å; Y169-L491 HydrophobicContact CE1-CD2 3.92Å; Y169-L491 HydrophobicContact CE2-CD2 3.7Å; Y169-L491 HydrophobicContact CG-CD2 3.55Å; Y169-L491 PolarHBondContact OH-O 3.42Å; Y169-L491 VanDerWaalsContact OH-O 3.12Å |
| 170 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.2 | 174.1 | -55 | 163.6 | 0 | 0 | 0 | 107.8 | L77 F168 V180 L183 A184 V187 L195 G197 I198 A199 | L77-I170 HydrophobicContact CD2-CG2 4.08Å; F168-I170 HydrophobicContact CD1-CG1 4.24Å; F168-I170 HydrophobicContact CE1-CD1 3.95Å; F168-I170 HydrophobicContact CE1-CG1 3.44Å; F168-I170 VanDerWaalsContact CE1-CG1 3.44Å; F168-I170 HydrophobicContact CZ-CG1 3.69Å; I170-V180 HydrophobicContact CB-CG1 4.12Å; I170-V180 HydrophobicContact CG2-CB 4.11Å; I170-V180 HydrophobicContact CG2-CG1 3.67Å; I170-V180 HydrophobicContact CG2-CG2 3.91Å; I170-L183 HydrophobicContact CD1-CD2 4.3Å; I170-L183 HydrophobicContact CD1-CG 4Å; I170-L183 HydrophobicContact CG2-CD2 4.07Å; I170-A184 HydrophobicContact CD1-CB 4.03Å; I170-V187 HydrophobicContact CD1-CB 4.37Å; I170-V187 HydrophobicContact CD1-CG2 4.1Å; I170-L195 HydrophobicContact CD1-CD1 3.75Å; I170-L195 HydrophobicContact CD1-CD2 4.49Å; I170-L195 HydrophobicContact CG1-CD1 3.82Å; I170-G197 PolarHBondContact N-O 3.48Å; I170-I198 HydrophobicContact CB-CG2 4.06Å; I170-I198 WeakPolarHBondContact O-CA 3.27Å; I170-I198 WeakPolarHBondContact O-CB 3.26Å; I170-A199 PolarHBondContact O-N 3.29Å; I170-A199 VanDerWaalsContact O-N 3.1Å |
| 171 | T | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 161.6 | -178.3 | 68.9 | 0 | 0 | 0 | 0 | 111.6 | V76 L77 W78 L79 W113 A199 | V76-T171 HydrophobicContact CG1-CG2 3.85Å; L77-T171 CarbonylContact O-C 3.46Å; L77-T171 WeakPolarHBondContact O-CA 3.46Å; L77-T171 WeakPolarHBondContact O-CB 3.5Å; L77-T171 PolarHBondContact O-N 2.67Å; L77-T171 PolarHBondContact O-OG1 2.76Å; W78-T171 WeakPolarHBondContact CA-O 3.42Å; L79-T171 PolarHBondContact N-O 3.08Å; L79-T171 VanDerWaalsContact N-O 3.08Å; W113-T171 HydrophobicContact CZ3-CG2 4.24Å; T171-A199 WeakPolarHBondContact CA-O 3.28Å; T171-A199 WeakPolarHBondContact CB-O 3.41Å; T171-A199 HydrophobicContact CG2-CB 3.95Å |
| 172 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | -174.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L79 A199 I200 G201 | L79-G172 CarbonylContact O-C 3.56Å; L79-G172 WeakPolarHBondContact O-CA 3.38Å; G172-A199 PolarHBondContact N-O 2.71Å; G172-I200 WeakPolarHBondContact O-CA 3.23Å; G172-I200 VanDerWaalsContact O-CG2 3.28Å; G172-I200 WeakPolarHBondContact O-CG2 3.41Å; G172-G201 PolarHBondContact O-N 2.86Å |
| 173 | E | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 155 | -176.8 | -170.7 | 168.9 | 99.3 | 0 | 0 | 112.9 | W78 L79 G81 Y175 A176 G201 H473 M474 | W78-E173 HydrophobicContact CH2-CB 4.22Å; W78-E173 HydrophobicContact CZ2-CB 4.14Å; L79-E173 PolarHBondContact O-N 2.83Å; G81-E173 PolarHBondContact N-O 2.79Å; E173-Y175 PolarHBondContact O-N 3.01Å; E173-A176 WeakPolarHBondContact O-CB 3.11Å; E173-A176 PolarHBondContact O-N 3.12Å; E173-G201 CarbonylContact C-O 3.58Å; E173-G201 VanDerWaalsContact CA-O 3.25Å; E173-G201 WeakPolarHBondContact CA-O 3.3Å; E173-G201 WeakPolarHBondContact CG-O 3.28Å; E173-H473 IonicContact OE1-CD2 3.3Å; E173-M474 WeakPolarHBondContact OE1-CA 3.34Å; E173-M474 VanDerWaalsContact OE1-CG 3.28Å; E173-M474 WeakPolarHBondContact OE1-CG 3.45Å; E173-M474 WeakPolarHBondContact OE2-CA 3.31Å |
| 174 | S | 98.7 | Very high | 98.3 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 12% | 0.119 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -123.2 | 167.4 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | A176 G177 G201 N202 P203 L204 H473 | S174-A176 PolarHBondContact O-N 3.05Å; S174-G177 PolarHBondContact O-N 3.32Å; S174-G201 PolarHBondContact N-O 3.35Å; S174-N202 VanDerWaalsContact CA-O 3.3Å; S174-N202 WeakPolarHBondContact CA-O 3.45Å; S174-N202 PolarHBondContact N-O 3.38Å; S174-P203 WeakPolarHBondContact O-CA 3.28Å; S174-L204 PolarHBondContact O-N 3.3Å; S174-H473 WeakPolarHBondContact CB-NE2 3.46Å; S174-H473 PolarHBondContact OG-CE1 3.11Å; S174-H473 PolarHBondContact OG-NE2 3.38Å |
| 175 | Y | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.8 | 173.8 | -157.1 | -86 | 0 | 0 | 0 | 113.2 | P83 D142 E173 G177 V178 Y179 L204 Y207 Y383 R385 | P83-Y175 HydrophobicContact CB-CD1 4.06Å; P83-Y175 HydrophobicContact CB-CE1 4.22Å; P83-Y175 HydrophobicContact CB-CG 4.31Å; P83-Y175 HydrophobicContact CG-CD2 4.45Å; P83-Y175 HydrophobicContact CG-CE2 4.36Å; D142-Y175 WeakPolarHBondContact OD1-CE1 3.4Å; D142-Y175 PolarHBondContact OD1-OH 2.88Å; E173-Y175 PolarHBondContact O-N 3.01Å; Y175-G177 PolarHBondContact O-N 3.37Å; Y175-G177 VanDerWaalsContact O-N 3.09Å; Y175-V178 HydrophobicContact CD1-CB 4.24Å; Y175-V178 HydrophobicContact CE1-CB 3.93Å; Y175-V178 HydrophobicContact CE1-CG1 4.27Å; Y175-V178 HydrophobicContact CE1-CG2 4.17Å; Y175-V178 WeakPolarHBondContact O-CB 3.45Å; Y175-V178 PolarHBondContact O-N 2.91Å; Y175-Y179 HydrophobicContact CD1-CD1 4.05Å; Y175-Y179 AromaticContact CD1-CE1 3.37Å; Y175-Y179 HydrophobicContact CD1-CE1 3.37Å; Y175-Y179 HydrophobicContact CD1-CE2 4.02Å; Y175-Y179 AromaticContact CD1-CZ 3.39Å; Y175-Y179 HydrophobicContact CE1-CD1 4.2Å; Y175-Y179 AromaticContact CE1-CE1 3.51Å; Y175-Y179 HydrophobicContact CE1-CE1 3.51Å; Y175-Y179 AromaticContact CE1-CZ 3.95Å; Y175-Y179 PolarHBondContact O-N 3.37Å; Y175-L204 HydrophobicContact CD2-CD2 3.78Å; Y175-L204 HydrophobicContact CE2-CD2 4.06Å; Y175-Y207 VanDerWaalsContact CE2-OH 3.28Å; Y175-Y207 WeakPolarHBondContact CE2-OH 2.93Å; Y175-Y383 AromaticContact CE1-CE1 3.94Å; Y175-Y383 HydrophobicContact CE1-CE1 3.94Å; Y175-R385 HydrophobicContact CE2-CG 4.31Å; Y175-R385 WeakPolarHBondContact OH-CB 3.28Å; Y175-R385 WeakPolarHBondContact OH-CG 3.33Å |
| 176 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -62.7 | -12 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L79 E173 S174 V178 Y179 V180 | L79-A176 HydrophobicContact CB-CB 4.2Å; L79-A176 WeakPolarHBondContact O-CB 3.41Å; E173-A176 WeakPolarHBondContact O-CB 3.11Å; E173-A176 PolarHBondContact O-N 3.12Å; S174-A176 PolarHBondContact O-N 3.05Å; A176-V178 PolarHBondContact O-N 3.45Å; A176-V178 VanDerWaalsContact O-N 3.15Å; A176-Y179 HydrophobicContact CB-CD2 4.04Å; A176-Y179 PolarHBondContact O-N 2.85Å; A176-V180 HydrophobicContact CB-CG2 4.03Å; A176-V180 VanDerWaalsContact O-CB 3.26Å; A176-V180 WeakPolarHBondContact O-CB 3.43Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.84Å |
| 177 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -54.9 | -21.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S174 Y175 P181 L204 | S174-G177 PolarHBondContact O-N 3.32Å; Y175-G177 PolarHBondContact O-N 3.37Å; Y175-G177 VanDerWaalsContact O-N 3.09Å; G177-P181 VanDerWaalsContact O-CD 3.29Å; G177-P181 WeakPolarHBondContact O-CD 2.97Å; G177-P181 VanDerWaalsContact O-CG 3.27Å; G177-P181 WeakPolarHBondContact O-CG 3.49Å; G177-L204 CarbonylContact C-O 3.56Å |
| 178 | V | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 8.5 Ų | 8.5 | 1% | 0.012 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -96.9 | -47.2 | 169.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | D142 Y175 A176 P181 L182 Y387 M390 | D142-V178 HydrophobicContact CB-CG1 4.05Å; D142-V178 WeakPolarHBondContact OD1-CG1 3.35Å; Y175-V178 HydrophobicContact CD1-CB 4.24Å; Y175-V178 HydrophobicContact CE1-CB 3.93Å; Y175-V178 HydrophobicContact CE1-CG1 4.27Å; Y175-V178 HydrophobicContact CE1-CG2 4.17Å; Y175-V178 WeakPolarHBondContact O-CB 3.45Å; Y175-V178 PolarHBondContact O-N 2.91Å; A176-V178 PolarHBondContact O-N 3.45Å; A176-V178 VanDerWaalsContact O-N 3.15Å; V178-P181 WeakPolarHBondContact O-CD 3.46Å; V178-L182 HydrophobicContact CG1-CD1 3.76Å; V178-L182 VanDerWaalsContact O-CG 3.28Å; V178-L182 WeakPolarHBondContact O-CG 3.33Å; V178-L182 PolarHBondContact O-N 3.28Å; V178-Y387 HydrophobicContact CG1-CD2 4.46Å; V178-M390 HydrophobicContact CB-SD 4.49Å; V178-M390 HydrophobicContact CG1-CE 4.35Å; V178-M390 HydrophobicContact CG1-SD 4.14Å; V178-M390 HydrophobicContact CG2-CG 4.37Å; V178-M390 HydrophobicContact CG2-SD 4.29Å |
| 179 | Y | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | -176.4 | -54.1 | -31.9 | 0 | 0 | 0 | 113.5 | P83 T145 Y175 A176 L182 L183 Y383 | P83-Y179 VanDerWaalsContact CA-OH 3.28Å; P83-Y179 WeakPolarHBondContact CA-OH 3.38Å; P83-Y179 WeakPolarHBondContact CB-OH 3.34Å; T145-Y179 HydrophobicContact CG2-CD1 4.1Å; T145-Y179 HydrophobicContact CG2-CE1 4.07Å; Y175-Y179 HydrophobicContact CD1-CD1 4.05Å; Y175-Y179 AromaticContact CD1-CE1 3.37Å; Y175-Y179 HydrophobicContact CD1-CE1 3.37Å; Y175-Y179 HydrophobicContact CD1-CE2 4.02Å; Y175-Y179 AromaticContact CD1-CZ 3.39Å; Y175-Y179 HydrophobicContact CE1-CD1 4.2Å; Y175-Y179 AromaticContact CE1-CE1 3.51Å; Y175-Y179 HydrophobicContact CE1-CE1 3.51Å; Y175-Y179 AromaticContact CE1-CZ 3.95Å; Y175-Y179 PolarHBondContact O-N 3.37Å; A176-Y179 HydrophobicContact CB-CD2 4.04Å; A176-Y179 PolarHBondContact O-N 2.85Å; Y179-L182 PolarHBondContact O-N 3.05Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.07Å; Y179-L183 PolarHBondContact O-N 3.18Å; Y179-Y383 HydrophobicContact CE1-CE2 4.48Å; Y179-Y383 AromaticContact CE1-CZ 3.88Å; Y179-Y383 VanDerWaalsContact CE1-OH 3.3Å; Y179-Y383 WeakPolarHBondContact CE1-OH 3.37Å |
| 180 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | -173.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | L79 I170 A176 L182 L183 A184 I198 I200 | L79-V180 HydrophobicContact CD1-CG2 4.4Å; I170-V180 HydrophobicContact CB-CG1 4.12Å; I170-V180 HydrophobicContact CG2-CB 4.11Å; I170-V180 HydrophobicContact CG2-CG1 3.67Å; I170-V180 HydrophobicContact CG2-CG2 3.91Å; A176-V180 HydrophobicContact CB-CG2 4.03Å; A176-V180 VanDerWaalsContact O-CB 3.26Å; A176-V180 WeakPolarHBondContact O-CB 3.43Å; A176-V180 WeakPolarHBondContact O-CG2 3.31Å; A176-V180 PolarHBondContact O-N 2.84Å; V180-L182 PolarHBondContact O-N 3.07Å; V180-L183 PolarHBondContact O-N 2.72Å; V180-A184 VanDerWaalsContact O-CB 3.26Å; V180-A184 WeakPolarHBondContact O-CB 3.2Å; V180-A184 PolarHBondContact O-N 3.01Å; V180-I198 HydrophobicContact CG1-CB 3.71Å; V180-I198 HydrophobicContact CG1-CD1 4.23Å; V180-I198 HydrophobicContact CG1-CG1 4.46Å; V180-I198 HydrophobicContact CG1-CG2 3.94Å; V180-I200 HydrophobicContact CB-CG1 3.83Å; V180-I200 HydrophobicContact CG1-CD1 3.98Å; V180-I200 HydrophobicContact CG1-CG1 3.71Å; V180-I200 HydrophobicContact CG2-CG1 4.19Å |
| 181 | P | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.8 | -24.8 | 35.3 | 0 | 0 | 0 | 113.7 | G177 V178 A184 L185 M390 Q393 Y394 I397 | G177-P181 VanDerWaalsContact O-CD 3.29Å; G177-P181 WeakPolarHBondContact O-CD 2.97Å; G177-P181 VanDerWaalsContact O-CG 3.27Å; G177-P181 WeakPolarHBondContact O-CG 3.49Å; V178-P181 WeakPolarHBondContact O-CD 3.46Å; P181-A184 PolarHBondContact O-N 3.32Å; P181-L185 WeakPolarHBondContact O-CG 3.39Å; P181-L185 PolarHBondContact O-N 3.09Å; P181-L185 VanDerWaalsContact O-N 3.12Å; P181-M390 HydrophobicContact CB-CE 3.77Å; P181-M390 HydrophobicContact CG-CE 4.06Å; P181-Q393 HydrophobicContact CB-CB 4.08Å; P181-Y394 HydrophobicContact CB-CD2 4.33Å; P181-Y394 HydrophobicContact CB-CE2 4.08Å; P181-Y394 HydrophobicContact CG-CD2 4Å; P181-Y394 HydrophobicContact CG-CE1 4.29Å; P181-Y394 HydrophobicContact CG-CE2 3.29Å; P181-Y394 VanDerWaalsContact CG-CZ 3.45Å; P181-Y394 WeakPolarHBondContact CG-OH 3.37Å; P181-I397 HydrophobicContact CB-CD1 3.68Å |
| 182 | L | 98.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -45.9 | 179.5 | -65.6 | 176 | 0 | 0 | 0 | 111.3 | D142 A146 V178 Y179 V180 A184 L185 H186 Y387 M390 Q393 | D142-L182 HydrophobicContact CB-CD1 3.67Å; A146-L182 HydrophobicContact CB-CB 3.59Å; V178-L182 HydrophobicContact CG1-CD1 3.76Å; V178-L182 VanDerWaalsContact O-CG 3.28Å; V178-L182 WeakPolarHBondContact O-CG 3.33Å; V178-L182 PolarHBondContact O-N 3.28Å; Y179-L182 PolarHBondContact O-N 3.05Å; V180-L182 PolarHBondContact O-N 3.07Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 3.29Å; L182-L185 WeakPolarHBondContact O-CB 3.21Å; L182-L185 PolarHBondContact O-N 3.33Å; L182-H186 PolarHBondContact O-CD2 3.46Å; L182-H186 PolarHBondContact O-N 3.31Å; L182-Y387 HydrophobicContact CD1-CD2 3.88Å; L182-Y387 HydrophobicContact CD1-CE2 3.59Å; L182-Y387 HydrophobicContact CD2-CD2 4.32Å; L182-Y387 HydrophobicContact CD2-CE2 3.71Å; L182-Y387 HydrophobicContact CG-CE2 4.3Å; L182-M390 HydrophobicContact CD2-CE 4.26Å; L182-M390 HydrophobicContact CG-CE 4.08Å; L182-Q393 HydrophobicContact CD2-CG 3.84Å |
| 183 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.8 | 179.7 | 57.4 | 0 | 0 | 0 | 111.7 | L77 L79 N149 L153 I170 Y179 V180 L185 H186 V187 | L77-L183 HydrophobicContact CD2-CD2 3.41Å; L77-L183 VanDerWaalsContact CD2-CD2 3.41Å; L79-L183 HydrophobicContact CD1-CD2 4.28Å; N149-L183 HydrophobicContact CB-CD1 4Å; N149-L183 HydrophobicContact CB-CD2 4.12Å; L153-L183 HydrophobicContact CD1-CD1 4.13Å; L153-L183 HydrophobicContact CD1-CD2 4.16Å; L153-L183 HydrophobicContact CD1-CG 4.45Å; I170-L183 HydrophobicContact CD1-CD2 4.3Å; I170-L183 HydrophobicContact CD1-CG 4Å; I170-L183 HydrophobicContact CG2-CD2 4.07Å; Y179-L183 VanDerWaalsContact O-CB 3.28Å; Y179-L183 WeakPolarHBondContact O-CB 3.07Å; Y179-L183 PolarHBondContact O-N 3.18Å; V180-L183 PolarHBondContact O-N 2.72Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 PolarHBondContact O-N 3.43Å; L183-H186 WeakPolarHBondContact O-CB 3.21Å; L183-H186 PolarHBondContact O-N 2.9Å; L183-V187 HydrophobicContact CD1-CG2 4.19Å; L183-V187 HydrophobicContact CG-CG2 4.34Å; L183-V187 WeakPolarHBondContact O-CG2 3.47Å; L183-V187 PolarHBondContact O-N 3.35Å |
| 184 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.2 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I170 V180 P181 L182 H186 V187 I188 L195 I198 I397 | I170-A184 HydrophobicContact CD1-CB 4.03Å; V180-A184 VanDerWaalsContact O-CB 3.26Å; V180-A184 WeakPolarHBondContact O-CB 3.2Å; V180-A184 PolarHBondContact O-N 3.01Å; P181-A184 PolarHBondContact O-N 3.32Å; L182-A184 VanDerWaalsContact C-N 3.34Å; L182-A184 PolarHBondContact O-N 3.29Å; A184-H186 VanDerWaalsContact C-N 3.29Å; A184-H186 PolarHBondContact O-N 3.38Å; A184-V187 PolarHBondContact O-N 2.98Å; A184-I188 WeakPolarHBondContact O-CB 3.37Å; A184-I188 WeakPolarHBondContact O-CD1 3.16Å; A184-I188 WeakPolarHBondContact O-CG1 3.17Å; A184-I188 PolarHBondContact O-N 2.89Å; A184-L195 HydrophobicContact CB-CD2 4Å; A184-I198 HydrophobicContact CB-CG2 3.87Å; A184-I397 HydrophobicContact CB-CD1 4Å; A184-I397 HydrophobicContact CB-CG1 4.4Å |
| 185 | L | 98.5 | Very high | 97 | Very high | 32 Ų | 32 | 28 Ų | 28 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -27.1 | 176.9 | -69.8 | 173.3 | 0 | 0 | 0 | 113.8 | P181 L182 L183 Q393 K396 I397 | P181-L185 WeakPolarHBondContact O-CG 3.39Å; P181-L185 PolarHBondContact O-N 3.09Å; P181-L185 VanDerWaalsContact O-N 3.12Å; L182-L185 WeakPolarHBondContact O-CB 3.21Å; L182-L185 PolarHBondContact O-N 3.33Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 PolarHBondContact O-N 3.43Å; L185-Q393 HydrophobicContact CD1-CB 4Å; L185-Q393 HydrophobicContact CD1-CG 3.92Å; L185-K396 HydrophobicContact CD1-CD 4.45Å; L185-K396 HydrophobicContact CD2-CB 3.67Å; L185-K396 HydrophobicContact CD2-CD 4.41Å; L185-I397 HydrophobicContact CD2-CG1 3.8Å; L185-I397 HydrophobicContact CG-CD1 4.47Å; L185-I397 HydrophobicContact CG-CG1 4.11Å |
| 186 | H | 98.2 | Very high | 97 | Very high | 56 Ų | 56 | 32 Ų | 32 | 26% | 0.259 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -73.4 | -47.7 | 168.1 | -76.6 | -87.3 | 0 | 0 | 0 | 111.1 | Y150 L182 L183 A184 I188 K189 | Y150-H186 HydrophobicContact CD1-CB 4.23Å; Y150-H186 HydrophobicContact CD2-CB 3.78Å; Y150-H186 HydrophobicContact CE2-CB 4.4Å; Y150-H186 HydrophobicContact CG-CB 3.69Å; L182-H186 PolarHBondContact O-CD2 3.46Å; L182-H186 PolarHBondContact O-N 3.31Å; L183-H186 WeakPolarHBondContact O-CB 3.21Å; L183-H186 PolarHBondContact O-N 2.9Å; A184-H186 VanDerWaalsContact C-N 3.29Å; A184-H186 PolarHBondContact O-N 3.38Å; H186-I188 PolarHBondContact O-N 2.91Å; H186-K189 PolarHBondContact O-N 2.85Å |
| 187 | V | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | -176.3 | 176 | 0 | 0 | 0 | 0 | 112.7 | Y150 L153 F168 I170 L183 A184 K189 S190 L193 L195 | Y150-V187 HydrophobicContact CD2-CG2 3.97Å; Y150-V187 HydrophobicContact CE2-CG2 4.36Å; L153-V187 HydrophobicContact CD1-CG2 4.14Å; F168-V187 HydrophobicContact CD1-CG1 4.12Å; F168-V187 HydrophobicContact CE1-CG1 4.24Å; F168-V187 HydrophobicContact CE1-CG2 4.37Å; I170-V187 HydrophobicContact CD1-CB 4.37Å; I170-V187 HydrophobicContact CD1-CG2 4.1Å; L183-V187 HydrophobicContact CD1-CG2 4.19Å; L183-V187 HydrophobicContact CG-CG2 4.34Å; L183-V187 WeakPolarHBondContact O-CG2 3.47Å; L183-V187 PolarHBondContact O-N 3.35Å; A184-V187 PolarHBondContact O-N 2.98Å; V187-K189 PolarHBondContact O-N 2.74Å; V187-K189 VanDerWaalsContact O-N 3.08Å; V187-S190 VanDerWaalsContact O-CB 3.28Å; V187-S190 WeakPolarHBondContact O-CB 3.41Å; V187-S190 PolarHBondContact O-N 3.34Å; V187-L193 HydrophobicContact CG1-CB 3.83Å; V187-L193 HydrophobicContact CG1-CD1 4.08Å; V187-L193 HydrophobicContact CG2-CD1 4.21Å; V187-L195 HydrophobicContact CG1-CB 3.93Å; V187-L195 HydrophobicContact CG1-CD2 4.43Å |
| 188 | I | 97.2 | Very high | 97 | Very high | 50 Ų | 50 | 32 Ų | 32 | 26% | 0.256 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.2 | 176.7 | -73.6 | 161.9 | 0 | 0 | 0 | 112.3 | A184 H186 L195 I397 I402 | A184-I188 WeakPolarHBondContact O-CB 3.37Å; A184-I188 WeakPolarHBondContact O-CD1 3.16Å; A184-I188 WeakPolarHBondContact O-CG1 3.17Å; A184-I188 PolarHBondContact O-N 2.89Å; H186-I188 PolarHBondContact O-N 2.91Å; I188-L195 HydrophobicContact CD1-CD2 4.29Å; I188-L195 HydrophobicContact CG1-CD2 3.73Å; I188-I397 HydrophobicContact CD1-CB 4.5Å; I188-I397 HydrophobicContact CD1-CG1 4.16Å; I188-I397 HydrophobicContact CD1-CG2 4.42Å; I188-I402 HydrophobicContact CD1-CG1 3.83Å; I188-I402 HydrophobicContact CG1-CD1 4.42Å; I188-I402 HydrophobicContact CG1-CG1 3.87Å |
| 189 | K | 94.6 | Very high | 97 | Very high | 177 Ų | 177 | 32 Ų | 32 | 77% | 0.77 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.6 | 178.5 | -60.2 | 173.5 | -174.9 | 173.6 | 0 | 112.8 | H186 V187 | H186-K189 PolarHBondContact O-N 2.85Å; V187-K189 PolarHBondContact O-N 2.74Å; V187-K189 VanDerWaalsContact O-N 3.08Å |
| 190 | S | 90.8 | Very high | 97 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 12% | 0.119 | 16% | 0.156 | C | C | . | . | trans | -91.2 | 146.1 | -179 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | Y150 V187 Q192 | Y150-S190 WeakPolarHBondContact OH-CB 3.49Å; Y150-S190 PolarHBondContact OH-OG 2.92Å; V187-S190 VanDerWaalsContact O-CB 3.28Å; V187-S190 WeakPolarHBondContact O-CB 3.41Å; V187-S190 PolarHBondContact O-N 3.34Å; S190-Q192 PolarHBondContact OG-N 3.23Å; S190-Q192 PolarHBondContact OG-OE1 3.39Å | ||
| 191 | T | 90.7 | Very high | 97 | Very high | 109 Ų | 109 | 31.8 Ų | 31.8 | 67% | 0.669 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -96.2 | -2.9 | 170.3 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||
| 192 | Q | 93.6 | Very high | 97 | Very high | 63 Ų | 63 | 31.8 Ų | 31.8 | 29% | 0.294 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -91.1 | -23.7 | -171 | -55.9 | 168.6 | -87.7 | 0 | 0 | 112.1 | L157 Y164 Q165 S190 | L157-Q192 HydrophobicContact CD1-CB 3.72Å; L157-Q192 WeakPolarHBondContact CD1-O 3.14Å; Y164-Q192 HydrophobicContact CD2-CB 4.31Å; Y164-Q192 HydrophobicContact CE2-CB 3.86Å; Y164-Q192 HydrophobicContact CE2-CG 3.88Å; Q165-Q192 PolarHBondContact N-O 2.86Å; S190-Q192 PolarHBondContact OG-N 3.23Å; S190-Q192 PolarHBondContact OG-OE1 3.39Å |
| 193 | L | 93.5 | Very high | 97 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -123.3 | 132.6 | 178.1 | -69.7 | 168.3 | 0 | 0 | 0 | 109.3 | L153 L157 F168 V187 L195 | L153-L193 HydrophobicContact CB-CD1 4.04Å; L153-L193 HydrophobicContact CD1-CD1 3.99Å; L157-L193 HydrophobicContact CD1-CD2 3.79Å; L157-L193 HydrophobicContact CD1-CG 3.89Å; L157-L193 HydrophobicContact CD2-CD2 4.03Å; L157-L193 HydrophobicContact CG-CD2 4.18Å; F168-L193 HydrophobicContact CD1-CB 4.09Å; F168-L193 HydrophobicContact CD1-CD1 4.1Å; F168-L193 HydrophobicContact CD1-CD2 4.21Å; F168-L193 HydrophobicContact CD1-CG 4.37Å; F168-L193 HydrophobicContact CE1-CD1 3.98Å; F168-L193 HydrophobicContact CG-CD2 4.22Å; V187-L193 HydrophobicContact CG1-CB 3.83Å; V187-L193 HydrophobicContact CG1-CD1 4.08Å; V187-L193 HydrophobicContact CG2-CD1 4.21Å; L193-L195 PolarHBondContact O-N 3.01Å |
| 194 | N | 96.6 | Very high | 97 | Very high | 50 Ų | 50 | 31.6 Ų | 31.6 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 82.1 | 180 | -177.8 | 15.6 | 0 | 0 | 0 | 109.6 | Q165 R166 D167 F168 R196 | Q165-N194 WeakPolarHBondContact O-CB 3.09Å; R166-N194 WeakPolarHBondContact O-CB 3.27Å; D167-N194 PolarHBondContact OD1-ND2 2.99Å; F168-N194 PolarHBondContact N-O 3.34Å; N194-R196 PolarHBondContact ND2-NE 3.37Å; N194-R196 PolarHBondContact ND2-NH2 3.44Å; N194-R196 WeakPolarHBondContact O-CG 3.17Å; N194-R196 PolarHBondContact O-N 2.89Å |
| 195 | L | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 118.5 | -177.8 | -173.6 | 66.5 | 0 | 0 | 0 | 110.7 | F168 I170 A184 V187 I188 L193 I198 I402 | F168-L195 HydrophobicContact CD1-CD1 4.06Å; F168-L195 CarbonylContact O-C 3.55Å; F168-L195 WeakPolarHBondContact O-CA 3.22Å; I170-L195 HydrophobicContact CD1-CD1 3.75Å; I170-L195 HydrophobicContact CD1-CD2 4.49Å; I170-L195 HydrophobicContact CG1-CD1 3.82Å; A184-L195 HydrophobicContact CB-CD2 4Å; V187-L195 HydrophobicContact CG1-CB 3.93Å; V187-L195 HydrophobicContact CG1-CD2 4.43Å; I188-L195 HydrophobicContact CD1-CD2 4.29Å; I188-L195 HydrophobicContact CG1-CD2 3.73Å; L193-L195 PolarHBondContact O-N 3.01Å; L195-I198 HydrophobicContact CD1-CG2 4.43Å; L195-I402 HydrophobicContact CB-CD1 4.32Å; L195-I402 HydrophobicContact CD2-CD1 4.28Å; L195-I402 HydrophobicContact CD2-CG1 4.2Å; L195-I402 HydrophobicContact CD2-CG2 3.98Å; L195-I402 HydrophobicContact CG-CD1 4.27Å; L195-I402 HydrophobicContact CG-CG2 4.14Å; L195-I402 WeakPolarHBondContact O-CD1 3.49Å |
| 196 | R | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 30.4 Ų | 30.4 | 32% | 0.317 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -17.5 | -178.9 | -66 | -49 | -161.4 | 176.2 | 1.8 | 114.1 | D167 F168 Y169 N194 P403 | D167-R196 HydrophobicContact CB-CG 3.76Å; D167-R196 IonicContact OD1-CZ 3.27Å; D167-R196 VanDerWaalsContact OD1-CZ 3.27Å; D167-R196 IonicContact OD1-NE 2.76Å; D167-R196 PolarHBondContact OD1-NE 2.57Å; D167-R196 IonicContact OD1-NH2 2.88Å; D167-R196 PolarHBondContact OD1-NH2 3.34Å; D167-R196 IonicContact OD2-NE 3.32Å; D167-R196 PolarHBondContact OD2-NE 3.13Å; D167-R196 IonicContact OD2-NH2 3.84Å; F168-R196 PolarHBondContact O-N 2.96Å; Y169-R196 HydrophobicContact CD1-CB 4.18Å; Y169-R196 HydrophobicContact CD2-CB 4.38Å; Y169-R196 HydrophobicContact CE1-CB 3.58Å; Y169-R196 HydrophobicContact CE2-CB 3.81Å; Y169-R196 HydrophobicContact CE2-CG 4.38Å; N194-R196 PolarHBondContact ND2-NE 3.37Å; N194-R196 PolarHBondContact ND2-NH2 3.44Å; N194-R196 WeakPolarHBondContact O-CG 3.17Å; N194-R196 PolarHBondContact O-N 2.89Å; R196-P403 WeakPolarHBondContact O-CD 3.2Å; R196-P403 WeakPolarHBondContact O-CG 3.32Å |
| 197 | G | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | 167.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y169 I170 P403 | Y169-G197 WeakPolarHBondContact CA-O 3.36Å; I170-G197 PolarHBondContact N-O 3.48Å; G197-P403 VanDerWaalsContact CA-O 3.3Å; G197-P403 WeakPolarHBondContact CA-O 3.33Å |
| 198 | I | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.1 | 167.9 | 65.9 | 179.3 | 0 | 0 | 0 | 110.8 | I170 V180 A184 L195 I200 I397 P403 I404 L405 F490 | I170-I198 HydrophobicContact CB-CG2 4.06Å; I170-I198 WeakPolarHBondContact O-CA 3.27Å; I170-I198 WeakPolarHBondContact O-CB 3.26Å; V180-I198 HydrophobicContact CG1-CB 3.71Å; V180-I198 HydrophobicContact CG1-CD1 4.23Å; V180-I198 HydrophobicContact CG1-CG1 4.46Å; V180-I198 HydrophobicContact CG1-CG2 3.94Å; A184-I198 HydrophobicContact CB-CG2 3.87Å; L195-I198 HydrophobicContact CD1-CG2 4.43Å; I198-I200 HydrophobicContact CB-CD1 4.35Å; I198-I200 HydrophobicContact CD1-CD1 4.03Å; I198-I200 HydrophobicContact CG1-CD1 4.02Å; I198-I397 HydrophobicContact CD1-CD1 3.82Å; I198-I397 HydrophobicContact CD1-CG2 4.1Å; I198-P403 PolarHBondContact N-O 3.07Å; I198-P403 VanDerWaalsContact N-O 3.08Å; I198-I404 HydrophobicContact CD1-CD1 4.11Å; I198-I404 HydrophobicContact CD1-CG1 4.03Å; I198-I404 HydrophobicContact CD1-CG2 4.26Å; I198-I404 HydrophobicContact CG1-CB 4.2Å; I198-I404 HydrophobicContact CG1-CD1 4.49Å; I198-I404 HydrophobicContact CG1-CG1 3.86Å; I198-I404 HydrophobicContact CG1-CG2 4.01Å; I198-I404 CarbonylContact O-C 3.48Å; I198-I404 WeakPolarHBondContact O-CA 3.4Å; I198-L405 PolarHBondContact O-N 3.27Å; I198-F490 VanDerWaalsContact O-CZ 3.24Å; I198-F490 WeakPolarHBondContact O-CZ 3.33Å |
| 199 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I170 T171 G172 L405 Y407 I487 F490 | I170-A199 PolarHBondContact O-N 3.29Å; I170-A199 VanDerWaalsContact O-N 3.1Å; T171-A199 WeakPolarHBondContact CA-O 3.28Å; T171-A199 WeakPolarHBondContact CB-O 3.41Å; T171-A199 HydrophobicContact CG2-CB 3.95Å; G172-A199 PolarHBondContact N-O 2.71Å; A199-L405 CarbonylContact C-O 3.55Å; A199-L405 WeakPolarHBondContact CA-O 3.2Å; A199-L405 HydrophobicContact CB-CB 3.92Å; A199-L405 HydrophobicContact CB-CD2 4.1Å; A199-L405 HydrophobicContact CB-CG 4.32Å; A199-Y407 HydrophobicContact CB-CE1 4.42Å; A199-I487 HydrophobicContact CB-CD1 4.14Å; A199-F490 HydrophobicContact CB-CD1 4.03Å; A199-F490 HydrophobicContact CB-CE1 3.78Å; A199-F490 HydrophobicContact CB-CZ 4.32Å |
| 200 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127 | -177.9 | -40.1 | 83.6 | 0 | 0 | 0 | 110.6 | G172 V180 I198 P203 Y394 L405 Y407 | G172-I200 WeakPolarHBondContact O-CA 3.23Å; G172-I200 VanDerWaalsContact O-CG2 3.28Å; G172-I200 WeakPolarHBondContact O-CG2 3.41Å; V180-I200 HydrophobicContact CB-CG1 3.83Å; V180-I200 HydrophobicContact CG1-CD1 3.98Å; V180-I200 HydrophobicContact CG1-CG1 3.71Å; V180-I200 HydrophobicContact CG2-CG1 4.19Å; I198-I200 HydrophobicContact CB-CD1 4.35Å; I198-I200 HydrophobicContact CD1-CD1 4.03Å; I198-I200 HydrophobicContact CG1-CD1 4.02Å; I200-P203 HydrophobicContact CB-CB 4.01Å; I200-P203 HydrophobicContact CB-CG 4.34Å; I200-P203 HydrophobicContact CG2-CB 3.64Å; I200-P203 HydrophobicContact CG2-CG 4.42Å; I200-Y394 HydrophobicContact CD1-CE1 4.22Å; I200-Y394 WeakPolarHBondContact CD1-OH 3.47Å; I200-L405 PolarHBondContact N-O 2.84Å; I200-Y407 VanDerWaalsContact C-CE1 3.49Å; I200-Y407 WeakPolarHBondContact O-CD1 3.25Å; I200-Y407 PolarHBondContact O-N 2.92Å |
| 201 | G | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G172 E173 S174 P203 Y407 | G172-G201 PolarHBondContact O-N 2.86Å; E173-G201 CarbonylContact C-O 3.58Å; E173-G201 VanDerWaalsContact CA-O 3.25Å; E173-G201 WeakPolarHBondContact CA-O 3.3Å; E173-G201 WeakPolarHBondContact CG-O 3.28Å; S174-G201 PolarHBondContact N-O 3.35Å; G201-P203 VanDerWaalsContact C-N 3.26Å; G201-Y407 CarbonylContact C-O 3.47Å; G201-Y407 VanDerWaalsContact CA-O 3.31Å; G201-Y407 WeakPolarHBondContact CA-O 3.31Å; G201-Y407 VanDerWaalsContact N-CZ 3.32Å |
| 202 | N | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 37.9 | 53.1 | 177.2 | -68.8 | 63.1 | 0 | 0 | 0 | 113 | S174 Y407 N408 G409 D412 C415 H473 V475 | S174-N202 VanDerWaalsContact CA-O 3.3Å; S174-N202 WeakPolarHBondContact CA-O 3.45Å; S174-N202 PolarHBondContact N-O 3.38Å; N202-Y407 PolarHBondContact N-O 3.38Å; N202-N408 WeakPolarHBondContact OD1-CA 3.39Å; N202-G409 PolarHBondContact ND2-N 3.19Å; N202-G409 PolarHBondContact OD1-N 3.36Å; N202-D412 WeakPolarHBondContact ND2-CB 3.39Å; N202-D412 VanDerWaalsContact ND2-CG 3.31Å; N202-D412 PolarHBondContact ND2-OD2 2.93Å; N202-C415 HydrophobicContact CB-CB 4.13Å; N202-C415 WeakPolarHBondContact O-CB 3.33Å; N202-C415 PolarHBondContact O-SG 2.89Å; N202-H473 PolarHBondContact OD1-O 2.96Å; N202-V475 WeakPolarHBondContact OD1-CG2 3.45Å |
| 203 | P | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | trans | -77.2 | 139.8 | -166.8 | 28.6 | -33.8 | 0 | 0 | 0 | 113.3 | S174 I200 G201 T205 I406 D420 | S174-P203 WeakPolarHBondContact O-CA 3.28Å; I200-P203 HydrophobicContact CB-CB 4.01Å; I200-P203 HydrophobicContact CB-CG 4.34Å; I200-P203 HydrophobicContact CG2-CB 3.64Å; I200-P203 HydrophobicContact CG2-CG 4.42Å; G201-P203 VanDerWaalsContact C-N 3.26Å; P203-T205 HydrophobicContact CB-CG2 3.77Å; P203-T205 HydrophobicContact CG-CG2 3.7Å; P203-T205 PolarHBondContact O-N 3.46Å; P203-I406 HydrophobicContact CG-CG1 4.47Å; P203-I406 HydrophobicContact CG-CG2 3.7Å; P203-D420 WeakPolarHBondContact CD-OD2 3.15Å; P203-D420 VanDerWaalsContact O-OD2 3.05Å | ||
| 204 | L | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 6% | 0.056 | C | C | . | . | trans | -75 | 93.8 | 162.3 | -174.5 | 60.2 | 0 | 0 | 0 | 110 | S174 Y175 G177 Y207 N210 N313 | S174-L204 PolarHBondContact O-N 3.3Å; Y175-L204 HydrophobicContact CD2-CD2 3.78Å; Y175-L204 HydrophobicContact CE2-CD2 4.06Å; G177-L204 CarbonylContact C-O 3.56Å; L204-Y207 HydrophobicContact CD1-CD1 4.31Å; L204-Y207 HydrophobicContact CD1-CE1 4.32Å; L204-Y207 HydrophobicContact CD2-CD1 4.34Å; L204-Y207 HydrophobicContact CD2-CE1 3.55Å; L204-Y207 HydrophobicContact CD2-CE2 4.3Å; L204-Y207 WeakPolarHBondContact CD2-OH 3.42Å; L204-Y207 HydrophobicContact CG-CE1 4.32Å; L204-N210 HydrophobicContact CD1-CB 4.17Å; L204-N313 HydrophobicContact CD2-CB 3.98Å | ||
| 205 | T | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 10.2 Ų | 10.2 | 3% | 0.031 | 4% | 0.044 | C | C | . | . | trans | -98.7 | -32.1 | -177.7 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | P203 M390 Y394 D420 F423 | P203-T205 HydrophobicContact CB-CG2 3.77Å; P203-T205 HydrophobicContact CG-CG2 3.7Å; P203-T205 PolarHBondContact O-N 3.46Å; T205-M390 VanDerWaalsContact O-CB 3.3Å; T205-M390 WeakPolarHBondContact O-CB 3.44Å; T205-M390 WeakPolarHBondContact O-CG 3.45Å; T205-M390 PolarHBondContact O-N 3.02Å; T205-Y394 HydrophobicContact CG2-CE2 4.19Å; T205-D420 WeakPolarHBondContact CB-OD1 3.31Å; T205-D420 WeakPolarHBondContact CG2-OD1 3.35Å; T205-D420 PolarHBondContact OG1-OD1 3.22Å; T205-F423 HydrophobicContact CG2-CD1 3.88Å; T205-F423 HydrophobicContact CG2-CE1 3.86Å; T205-F423 HydrophobicContact CG2-CG 4.29Å; T205-F423 HydrophobicContact CG2-CZ 4.24Å; T205-F423 WeakPolarHBondContact OG1-CB 3.36Å; T205-F423 VanDerWaalsContact OG1-CG 3.24Å; T205-F423 WeakPolarHBondContact OG1-CG 3.37Å | ||
| 206 | S | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 11.4 Ų | 11.4 | 1% | 0.014 | 5% | 0.048 | C | C | . | . | B | Isolated β-bridge | trans | -152.3 | 119.9 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | K208 F209 N210 D389 | S206-K208 PolarHBondContact O-N 3.14Å; S206-F209 PolarHBondContact O-N 3.47Å; S206-F209 PolarHBondContact OG-N 2.85Å; S206-N210 WeakPolarHBondContact O-CB 3.48Å; S206-N210 PolarHBondContact O-N 3.46Å; S206-D389 VanDerWaalsContact CB-OD2 3.25Å; S206-D389 WeakPolarHBondContact CB-OD2 3.35Å; S206-D389 PolarHBondContact OG-OD2 3.49Å |
| 207 | Y | 97.7 | Very high | 98 | Very high | 9 Ų | 9 | 7.5 Ų | 7.5 | 4% | 0.035 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 176.6 | -72 | -84.9 | 0 | 0 | 0 | 111.1 | Y175 L204 N210 D211 N313 R316 R385 Y387 Q388 | Y175-Y207 VanDerWaalsContact CE2-OH 3.28Å; Y175-Y207 WeakPolarHBondContact CE2-OH 2.93Å; L204-Y207 HydrophobicContact CD1-CD1 4.31Å; L204-Y207 HydrophobicContact CD1-CE1 4.32Å; L204-Y207 HydrophobicContact CD2-CD1 4.34Å; L204-Y207 HydrophobicContact CD2-CE1 3.55Å; L204-Y207 HydrophobicContact CD2-CE2 4.3Å; L204-Y207 WeakPolarHBondContact CD2-OH 3.42Å; L204-Y207 HydrophobicContact CG-CE1 4.32Å; Y207-N210 PolarHBondContact O-N 3.12Å; Y207-D211 VanDerWaalsContact O-CB 3.27Å; Y207-D211 WeakPolarHBondContact O-CB 3.42Å; Y207-D211 VanDerWaalsContact O-CG 3.24Å; Y207-D211 PolarHBondContact O-N 2.91Å; Y207-N313 WeakPolarHBondContact CD1-O 3.41Å; Y207-N313 HydrophobicContact CE1-CB 4.28Å; Y207-N313 WeakPolarHBondContact CE1-O 3.27Å; Y207-R316 HydrophobicContact CD1-CG 4.37Å; Y207-R316 HydrophobicContact CE1-CG 4.38Å; Y207-R316 VanDerWaalsContact CZ-NH1 3.26Å; Y207-R316 PolarHBondContact OH-NH1 2.81Å; Y207-R385 WeakPolarHBondContact OH-CD 3.3Å; Y207-Y387 VanDerWaalsContact CE2-O 3.31Å; Y207-Y387 WeakPolarHBondContact CE2-O 3.48Å; Y207-Q388 WeakPolarHBondContact CD2-O 3.41Å; Y207-Q388 PolarHBondContact N-O 3.38Å |
| 208 | K | 95.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 7.5 Ų | 7.5 | 30% | 0.304 | 3% | 0.033 | S | C | . | . | H | α-helix | trans | -59.5 | -50.7 | 178.7 | 176.5 | -177.3 | 163.8 | -178 | 0 | 111.2 | S206 N212 M246 E249 | S206-K208 PolarHBondContact O-N 3.14Å; K208-N212 WeakPolarHBondContact O-CB 3.12Å; K208-N212 PolarHBondContact O-N 3.08Å; K208-N212 PolarHBondContact O-ND2 3.25Å; K208-M246 HydrophobicContact CD-SD 4.29Å; K208-M246 WeakPolarHBondContact CE-SD 3.31Å; K208-M246 HydrophobicContact CG-SD 4.03Å; K208-E249 HydrophobicContact CD-CG 4.49Å; K208-E249 WeakPolarHBondContact CE-OE1 3.37Å; K208-E249 IonicContact NZ-OE1 2.79Å; K208-E249 PolarHBondContact NZ-OE1 3.45Å; K208-E249 IonicContact NZ-OE2 2.94Å |
| 209 | F | 97.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 9.5 Ų | 9.5 | 6% | 0.057 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -69.7 | -42.4 | -178.2 | -62.7 | -39.9 | 0 | 0 | 0 | 111.8 | S206 N212 S213 M246 I391 W422 F423 N426 | S206-F209 PolarHBondContact O-N 3.47Å; S206-F209 PolarHBondContact OG-N 2.85Å; F209-N212 PolarHBondContact O-N 3.39Å; F209-S213 WeakPolarHBondContact O-CB 3.2Å; F209-S213 PolarHBondContact O-N 2.86Å; F209-S213 PolarHBondContact O-OG 3.36Å; F209-M246 HydrophobicContact CD1-CE 4.5Å; F209-M246 HydrophobicContact CD1-SD 4.48Å; F209-I391 HydrophobicContact CE2-CD1 4.29Å; F209-W422 HydrophobicContact CB-CB 4.35Å; F209-W422 HydrophobicContact CB-CE3 4.33Å; F209-W422 HydrophobicContact CD1-CB 4.31Å; F209-W422 HydrophobicContact CD1-CE3 4.16Å; F209-W422 HydrophobicContact CG-CB 4.18Å; F209-F423 HydrophobicContact CD2-CB 3.98Å; F209-F423 HydrophobicContact CD2-CD2 4.36Å; F209-N426 HydrophobicContact CE2-CB 3.96Å; F209-N426 HydrophobicContact CZ-CB 3.93Å |
| 210 | N | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.032 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | -179.7 | -168.7 | 50.4 | 0 | 0 | 0 | 112.8 | L204 S206 Y207 N212 S213 L214 L314 A414 C415 N416 | L204-N210 HydrophobicContact CD1-CB 4.17Å; S206-N210 WeakPolarHBondContact O-CB 3.48Å; S206-N210 PolarHBondContact O-N 3.46Å; Y207-N210 PolarHBondContact O-N 3.12Å; N210-N212 PolarHBondContact O-N 3.02Å; N210-S213 PolarHBondContact O-OG 2.95Å; N210-L214 VanDerWaalsContact O-CB 3.27Å; N210-L214 WeakPolarHBondContact O-CB 3.36Å; N210-L214 PolarHBondContact O-N 2.94Å; N210-L314 WeakPolarHBondContact ND2-CD2 3.1Å; N210-A414 PolarHBondContact ND2-O 2.75Å; N210-C415 WeakPolarHBondContact OD1-CA 3.34Å; N210-N416 PolarHBondContact O-ND2 3.23Å; N210-N416 PolarHBondContact OD1-N 2.84Å; N210-N416 PolarHBondContact OD1-ND2 2.98Å |
| 211 | D | 97.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | -179.4 | -73.6 | -13.4 | 0 | 0 | 0 | 111.6 | Y207 T248 L314 F315 | Y207-D211 VanDerWaalsContact O-CB 3.27Å; Y207-D211 WeakPolarHBondContact O-CB 3.42Å; Y207-D211 VanDerWaalsContact O-CG 3.24Å; Y207-D211 PolarHBondContact O-N 2.91Å; D211-T248 HydrophobicContact CB-CG2 3.83Å; D211-L314 WeakPolarHBondContact OD1-CA 3.23Å; D211-F315 HydrophobicContact CB-CD1 3.91Å; D211-F315 HydrophobicContact CB-CE1 3.75Å; D211-F315 HydrophobicContact CB-CG 4.46Å; D211-F315 HydrophobicContact CB-CZ 4.14Å; D211-F315 VanDerWaalsContact CG-N 3.27Å; D211-F315 WeakPolarHBondContact O-CE1 3.4Å; D211-F315 VanDerWaalsContact O-CZ 3.23Å; D211-F315 WeakPolarHBondContact O-CZ 3.37Å; D211-F315 PolarHBondContact OD1-N 3.34Å; D211-F315 VanDerWaalsContact OD2-CA 3.24Å; D211-F315 WeakPolarHBondContact OD2-CA 3.38Å; D211-F315 PolarHBondContact OD2-N 3.02Å; D211-F315 VanDerWaalsContact OD2-N 3.11Å |
| 212 | N | 96.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.2 | -41.7 | -177.2 | -73 | -57.8 | 0 | 0 | 0 | 112.2 | K208 F209 N210 L214 L215 Y216 M246 F247 T248 W422 | K208-N212 WeakPolarHBondContact O-CB 3.12Å; K208-N212 PolarHBondContact O-N 3.08Å; K208-N212 PolarHBondContact O-ND2 3.25Å; F209-N212 PolarHBondContact O-N 3.39Å; N210-N212 PolarHBondContact O-N 3.02Å; N212-L214 VanDerWaalsContact C-N 3.29Å; N212-L214 PolarHBondContact O-N 3.2Å; N212-L215 PolarHBondContact O-N 2.96Å; N212-Y216 WeakPolarHBondContact O-CD2 3.45Å; N212-M246 HydrophobicContact CB-CE 4.33Å; N212-M246 HydrophobicContact CB-SD 4.09Å; N212-M246 PolarHBondContact ND2-SD 3.17Å; N212-M246 VanDerWaalsContact ND2-SD 3.44Å; N212-M246 VanDerWaalsContact OD1-C 3.25Å; N212-F247 HydrophobicContact CB-CD2 4.29Å; N212-F247 VanDerWaalsContact OD1-CA 3.32Å; N212-F247 WeakPolarHBondContact OD1-CA 3.18Å; N212-F247 WeakPolarHBondContact OD1-CB 3.4Å; N212-F247 PolarHBondContact OD1-N 2.7Å; N212-T248 PolarHBondContact ND2-OG1 2.86Å; N212-T248 PolarHBondContact OD1-N 2.86Å; N212-W422 HydrophobicContact CB-CZ3 4.02Å |
| 213 | S | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -30 | 179.3 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | F209 N210 L215 Y216 F217 N416 G419 | F209-S213 WeakPolarHBondContact O-CB 3.2Å; F209-S213 PolarHBondContact O-N 2.86Å; F209-S213 PolarHBondContact O-OG 3.36Å; N210-S213 PolarHBondContact O-OG 2.95Å; S213-L215 VanDerWaalsContact C-N 3.3Å; S213-L215 PolarHBondContact O-N 2.9Å; S213-Y216 WeakPolarHBondContact O-CB 3.3Å; S213-Y216 PolarHBondContact O-N 3.49Å; S213-F217 PolarHBondContact O-N 3.44Å; S213-N416 WeakPolarHBondContact CB-OD1 3.31Å; S213-N416 PolarHBondContact OG-ND2 3.19Å; S213-N416 PolarHBondContact OG-OD1 3.44Å; S213-G419 WeakPolarHBondContact OG-CA 3.17Å; S213-G419 PolarHBondContact OG-N 2.87Å; S213-G419 VanDerWaalsContact OG-N 3.08Å |
| 214 | L | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.2 | 177.1 | 54.4 | 0 | 0 | 0 | 112 | N210 N212 Y216 F217 I218 L314 F315 M413 N416 | N210-L214 VanDerWaalsContact O-CB 3.27Å; N210-L214 WeakPolarHBondContact O-CB 3.36Å; N210-L214 PolarHBondContact O-N 2.94Å; N212-L214 VanDerWaalsContact C-N 3.29Å; N212-L214 PolarHBondContact O-N 3.2Å; L214-Y216 VanDerWaalsContact C-N 3.32Å; L214-Y216 PolarHBondContact O-N 2.93Å; L214-F217 HydrophobicContact CD1-CB 4.46Å; L214-F217 WeakPolarHBondContact O-CB 2.98Å; L214-F217 PolarHBondContact O-N 3.15Å; L214-F217 VanDerWaalsContact O-N 3.17Å; L214-I218 HydrophobicContact CD1-CD1 3.93Å; L214-I218 HydrophobicContact CD1-CG1 3.9Å; L214-I218 HydrophobicContact CG-CD1 3.87Å; L214-I218 HydrophobicContact CG-CG1 4.33Å; L214-I218 WeakPolarHBondContact O-CB 3.37Å; L214-I218 VanDerWaalsContact O-CG1 3.23Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3.47Å; L214-L314 HydrophobicContact CD2-CD1 4.08Å; L214-L314 HydrophobicContact CD2-CD2 4.26Å; L214-F315 HydrophobicContact CD2-CE2 3.84Å; L214-F315 HydrophobicContact CD2-CZ 4.32Å; L214-M413 HydrophobicContact CD1-CB 3.79Å; L214-M413 HydrophobicContact CD1-CG 4.19Å; L214-M413 WeakPolarHBondContact CD1-O 3.39Å; L214-N416 PolarHBondContact N-ND2 3.34Å |
| 215 | L | 96.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 176.7 | -67.3 | 169.1 | 0 | 0 | 0 | 112 | N212 S213 K219 L232 F247 I259 I262 F315 | N212-L215 PolarHBondContact O-N 2.96Å; S213-L215 VanDerWaalsContact C-N 3.3Å; S213-L215 PolarHBondContact O-N 2.9Å; L215-K219 PolarHBondContact O-N 3Å; L215-K219 VanDerWaalsContact O-N 3.15Å; L215-L232 HydrophobicContact CB-CD2 4.46Å; L215-L232 HydrophobicContact CD1-CD2 4.41Å; L215-F247 HydrophobicContact CB-CD2 3.92Å; L215-F247 HydrophobicContact CB-CE2 3.74Å; L215-F247 HydrophobicContact CB-CZ 4.42Å; L215-F247 HydrophobicContact CD1-CB 3.63Å; L215-F247 HydrophobicContact CD1-CD1 4.32Å; L215-F247 HydrophobicContact CD1-CD2 3.37Å; L215-F247 HydrophobicContact CD1-CE2 4.05Å; L215-F247 HydrophobicContact CD1-CG 3.53Å; L215-F247 HydrophobicContact CG-CD2 4.26Å; L215-I259 HydrophobicContact CD1-CD1 4.22Å; L215-I259 HydrophobicContact CD1-CG1 3.99Å; L215-I262 HydrophobicContact CD2-CD1 4.36Å; L215-I262 HydrophobicContact CD2-CG2 4.22Å; L215-F315 HydrophobicContact CD1-CE1 4.07Å; L215-F315 HydrophobicContact CD1-CZ 4.42Å; L215-F315 HydrophobicContact CD2-CZ 4.24Å; L215-F315 HydrophobicContact CG-CE1 4.22Å; L215-F315 HydrophobicContact CG-CZ 4.06Å |
| 216 | Y | 97.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 34.6 Ų | 34.6 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 170.2 | -77.7 | -84.1 | 0 | 0 | 0 | 111.3 | N212 S213 L214 I218 K219 Y220 W229 H244 C245 F247 W422 | N212-Y216 WeakPolarHBondContact O-CD2 3.45Å; S213-Y216 WeakPolarHBondContact O-CB 3.3Å; S213-Y216 PolarHBondContact O-N 3.49Å; L214-Y216 VanDerWaalsContact C-N 3.32Å; L214-Y216 PolarHBondContact O-N 2.93Å; Y216-I218 PolarHBondContact O-N 2.83Å; Y216-K219 PolarHBondContact O-N 3.23Å; Y216-Y220 HydrophobicContact CD1-CD2 4.33Å; Y216-Y220 AromaticContact CD1-CE2 3.85Å; Y216-Y220 HydrophobicContact CD1-CE2 3.85Å; Y216-Y220 VanDerWaalsContact O-CD2 3.25Å; Y216-Y220 WeakPolarHBondContact O-CD2 2.94Å; Y216-Y220 PolarHBondContact O-N 2.84Å; Y216-W229 AromaticContact CD1-CH2 3.91Å; Y216-W229 HydrophobicContact CD1-CH2 3.91Å; Y216-W229 HydrophobicContact CD1-CZ2 4.11Å; Y216-W229 AromaticContact CE1-CH2 3.94Å; Y216-W229 HydrophobicContact CE1-CH2 3.94Å; Y216-W229 AromaticContact CE1-CZ2 3.89Å; Y216-W229 HydrophobicContact CE1-CZ2 3.89Å; Y216-W229 HydrophobicContact CG-CH2 4.25Å; Y216-H244 HydrophobicContact CE2-CB 3.88Å; Y216-C245 WeakPolarHBondContact OH-CB 3.31Å; Y216-C245 PolarHBondContact OH-N 3.31Å; Y216-F247 AromaticContact CD2-CE2 3.63Å; Y216-F247 HydrophobicContact CD2-CE2 3.63Å; Y216-F247 HydrophobicContact CD2-CZ 4.19Å; Y216-F247 HydrophobicContact CE2-CD2 4.38Å; Y216-F247 AromaticContact CE2-CE2 3.29Å; Y216-F247 HydrophobicContact CE2-CE2 3.29Å; Y216-F247 AromaticContact CE2-CZ 3.62Å; Y216-F247 HydrophobicContact CE2-CZ 3.62Å; Y216-F247 AromaticContact CZ-CZ 3.88Å; Y216-W422 AromaticContact CD2-CH2 3.72Å; Y216-W422 HydrophobicContact CD2-CH2 3.72Å; Y216-W422 HydrophobicContact CD2-CZ2 4.3Å; Y216-W422 AromaticContact CE2-CH2 3.99Å; Y216-W422 HydrophobicContact CE2-CH2 3.99Å |
| 217 | F | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.9 | -54.1 | 177.7 | -171.6 | -74.2 | 0 | 0 | 0 | 110.8 | S213 L214 K219 Y220 H221 L275 M413 N416 F417 I418 | S213-F217 PolarHBondContact O-N 3.44Å; L214-F217 HydrophobicContact CD1-CB 4.46Å; L214-F217 WeakPolarHBondContact O-CB 2.98Å; L214-F217 PolarHBondContact O-N 3.15Å; L214-F217 VanDerWaalsContact O-N 3.17Å; F217-K219 VanDerWaalsContact C-N 3.3Å; F217-K219 PolarHBondContact O-N 2.86Å; F217-Y220 PolarHBondContact O-N 3.17Å; F217-H221 HydrophobicContact CD1-CB 4.43Å; F217-H221 AromaticContact CD1-CE1 3.86Å; F217-H221 AromaticContact CD1-CG 3.9Å; F217-H221 AromaticContact CD1-ND1 3.48Å; F217-H221 WeakPolarHBondContact CD1-ND1 3.43Å; F217-H221 AromaticContact CD2-CE1 3.62Å; F217-H221 AromaticContact CD2-ND1 3.98Å; F217-H221 HydrophobicContact CE1-CB 4.31Å; F217-H221 AromaticContact CE1-CD2 3.78Å; F217-H221 AromaticContact CE1-CE1 3.64Å; F217-H221 AromaticContact CE1-CG 3.62Å; F217-H221 AromaticContact CE1-ND1 3.53Å; F217-H221 AromaticContact CE1-NE2 3.83Å; F217-H221 AromaticContact CE2-CE1 3.4Å; F217-H221 VanDerWaalsContact CE2-CE1 3.4Å; F217-H221 WeakPolarHBondContact CE2-CE1 3.4Å; F217-H221 AromaticContact CE2-NE2 3.78Å; F217-H221 AromaticContact CG-CE1 3.84Å; F217-H221 AromaticContact CG-ND1 3.7Å; F217-H221 AromaticContact CZ-CD2 3.83Å; F217-H221 AromaticContact CZ-CE1 3.4Å; F217-H221 VanDerWaalsContact CZ-CE1 3.4Å; F217-H221 WeakPolarHBondContact CZ-CE1 3.26Å; F217-H221 AromaticContact CZ-ND1 3.81Å; F217-H221 AromaticContact CZ-NE2 3.44Å; F217-H221 WeakPolarHBondContact CZ-NE2 3.07Å; F217-H221 VanDerWaalsContact O-CB 3.32Å; F217-H221 WeakPolarHBondContact O-CB 3.25Å; F217-H221 PolarHBondContact O-N 3.09Å; F217-H221 PolarHBondContact O-ND1 3.39Å; F217-L275 HydrophobicContact CE1-CD2 3.94Å; F217-M413 HydrophobicContact CD1-CG 3.73Å; F217-M413 HydrophobicContact CD1-SD 4.21Å; F217-M413 HydrophobicContact CE1-CG 3.43Å; F217-M413 VanDerWaalsContact CE1-CG 3.43Å; F217-M413 HydrophobicContact CE1-SD 4.07Å; F217-M413 HydrophobicContact CZ-CG 4.17Å; F217-N416 HydrophobicContact CD2-CB 3.89Å; F217-N416 HydrophobicContact CE2-CB 4.37Å; F217-N416 HydrophobicContact CG-CB 4.43Å; F217-F417 HydrophobicContact CD2-CE1 4.32Å; F217-F417 HydrophobicContact CE2-CD1 4.26Å; F217-F417 HydrophobicContact CE2-CE1 4.12Å; F217-I418 HydrophobicContact CB-CD1 4.29Å; F217-I418 HydrophobicContact CD2-CD1 4.22Å |
| 218 | I | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.4 | -45.9 | 178.5 | -70.8 | 168.8 | 0 | 0 | 0 | 110.9 | L214 Y216 L223 V224 I262 L263 T267 M413 | L214-I218 HydrophobicContact CD1-CD1 3.93Å; L214-I218 HydrophobicContact CD1-CG1 3.9Å; L214-I218 HydrophobicContact CG-CD1 3.87Å; L214-I218 HydrophobicContact CG-CG1 4.33Å; L214-I218 WeakPolarHBondContact O-CB 3.37Å; L214-I218 VanDerWaalsContact O-CG1 3.23Å; L214-I218 WeakPolarHBondContact O-CG1 3.44Å; L214-I218 PolarHBondContact O-N 3.47Å; Y216-I218 PolarHBondContact O-N 2.83Å; I218-L223 HydrophobicContact CG1-CD1 4.44Å; I218-L223 HydrophobicContact CG2-CB 3.73Å; I218-L223 HydrophobicContact CG2-CD1 4.25Å; I218-L223 WeakPolarHBondContact O-CB 3.34Å; I218-L223 PolarHBondContact O-N 2.86Å; I218-V224 HydrophobicContact CG2-CB 4.42Å; I218-V224 HydrophobicContact CG2-CG2 3.41Å; I218-V224 VanDerWaalsContact CG2-CG2 3.41Å; I218-I262 HydrophobicContact CD1-CG2 4.09Å; I218-I262 HydrophobicContact CG2-CG2 3.87Å; I218-L263 HydrophobicContact CD1-CD2 4.33Å; I218-T267 HydrophobicContact CD1-CG2 3.75Å; I218-T267 HydrophobicContact CG1-CG2 3.96Å; I218-T267 HydrophobicContact CG2-CG2 4.45Å; I218-M413 HydrophobicContact CG1-SD 4.48Å |
| 219 | K | 96.9 | Very high | 97 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -53.2 | 178.8 | 173.4 | 56.3 | -179.2 | 165.2 | 0 | 112.1 | L215 Y216 F217 H221 G222 V224 W229 | L215-K219 PolarHBondContact O-N 3Å; L215-K219 VanDerWaalsContact O-N 3.15Å; Y216-K219 PolarHBondContact O-N 3.23Å; F217-K219 VanDerWaalsContact C-N 3.3Å; F217-K219 PolarHBondContact O-N 2.86Å; K219-H221 PolarHBondContact O-N 3.02Å; K219-G222 PolarHBondContact O-N 2.79Å; K219-V224 HydrophobicContact CD-CB 4.46Å; K219-V224 PolarHBondContact NZ-O 3.18Å; K219-W229 HydrophobicContact CB-CD2 3.99Å; K219-W229 HydrophobicContact CB-CE3 3.68Å; K219-W229 HydrophobicContact CB-CH2 4.16Å; K219-W229 HydrophobicContact CB-CZ2 4.46Å; K219-W229 HydrophobicContact CB-CZ3 3.76Å; K219-W229 HydrophobicContact CD-CB 3.85Å; K219-W229 HydrophobicContact CD-CD2 3.85Å; K219-W229 HydrophobicContact CD-CE3 4.21Å; K219-W229 HydrophobicContact CD-CG 3.66Å; K219-W229 HydrophobicContact CG-CD2 3.58Å; K219-W229 HydrophobicContact CG-CE3 3.84Å; K219-W229 HydrophobicContact CG-CG 3.91Å; K219-W229 HydrophobicContact CG-CH2 4.44Å; K219-W229 HydrophobicContact CG-CZ2 4.24Å; K219-W229 HydrophobicContact CG-CZ3 4.25Å |
| 220 | Y | 97.4 | Very high | 96.8 | Very high | 168 Ų | 168 | 45.4 Ų | 45.4 | 66% | 0.659 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -80.7 | -5 | -172.3 | -69.9 | -72.4 | 0 | 0 | 0 | 113.6 | Y216 F217 | Y216-Y220 HydrophobicContact CD1-CD2 4.33Å; Y216-Y220 AromaticContact CD1-CE2 3.85Å; Y216-Y220 HydrophobicContact CD1-CE2 3.85Å; Y216-Y220 VanDerWaalsContact O-CD2 3.25Å; Y216-Y220 WeakPolarHBondContact O-CD2 2.94Å; Y216-Y220 PolarHBondContact O-N 2.84Å; F217-Y220 PolarHBondContact O-N 3.17Å |
| 221 | H | 97.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 25% | 0.25 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 12.4 | 164.6 | -69.5 | 74.2 | 0 | 0 | 0 | 113.2 | F217 K219 L275 Y276 | F217-H221 HydrophobicContact CD1-CB 4.43Å; F217-H221 AromaticContact CD1-CE1 3.86Å; F217-H221 AromaticContact CD1-CG 3.9Å; F217-H221 AromaticContact CD1-ND1 3.48Å; F217-H221 WeakPolarHBondContact CD1-ND1 3.43Å; F217-H221 AromaticContact CD2-CE1 3.62Å; F217-H221 AromaticContact CD2-ND1 3.98Å; F217-H221 HydrophobicContact CE1-CB 4.31Å; F217-H221 AromaticContact CE1-CD2 3.78Å; F217-H221 AromaticContact CE1-CE1 3.64Å; F217-H221 AromaticContact CE1-CG 3.62Å; F217-H221 AromaticContact CE1-ND1 3.53Å; F217-H221 AromaticContact CE1-NE2 3.83Å; F217-H221 AromaticContact CE2-CE1 3.4Å; F217-H221 VanDerWaalsContact CE2-CE1 3.4Å; F217-H221 WeakPolarHBondContact CE2-CE1 3.4Å; F217-H221 AromaticContact CE2-NE2 3.78Å; F217-H221 AromaticContact CG-CE1 3.84Å; F217-H221 AromaticContact CG-ND1 3.7Å; F217-H221 AromaticContact CZ-CD2 3.83Å; F217-H221 AromaticContact CZ-CE1 3.4Å; F217-H221 VanDerWaalsContact CZ-CE1 3.4Å; F217-H221 WeakPolarHBondContact CZ-CE1 3.26Å; F217-H221 AromaticContact CZ-ND1 3.81Å; F217-H221 AromaticContact CZ-NE2 3.44Å; F217-H221 WeakPolarHBondContact CZ-NE2 3.07Å; F217-H221 VanDerWaalsContact O-CB 3.32Å; F217-H221 WeakPolarHBondContact O-CB 3.25Å; F217-H221 PolarHBondContact O-N 3.09Å; F217-H221 PolarHBondContact O-ND1 3.39Å; K219-H221 PolarHBondContact O-N 3.02Å; H221-L275 HydrophobicContact CB-CD2 3.57Å; H221-Y276 PolarHBondContact CD2-OH 2.7Å; H221-Y276 VanDerWaalsContact CD2-OH 3.29Å |
| 222 | G | 97.3 | Very high | 96.5 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 14.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K219 | K219-G222 PolarHBondContact O-N 2.79Š|
| 223 | L | 96.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | trans | -89.4 | -10.8 | -173.7 | -51.4 | -178.9 | 0 | 0 | 0 | 113.7 | I218 S266 T267 L270 L275 M413 | I218-L223 HydrophobicContact CG1-CD1 4.44Å; I218-L223 HydrophobicContact CG2-CB 3.73Å; I218-L223 HydrophobicContact CG2-CD1 4.25Å; I218-L223 WeakPolarHBondContact O-CB 3.34Å; I218-L223 PolarHBondContact O-N 2.86Å; L223-S266 WeakPolarHBondContact O-CB 3.38Å; L223-S266 PolarHBondContact O-OG 2.9Å; L223-T267 HydrophobicContact CD1-CG2 4.26Å; L223-L270 HydrophobicContact CD1-CD1 3.75Å; L223-L270 HydrophobicContact CD2-CD1 3.71Å; L223-L270 HydrophobicContact CG-CD1 4.32Å; L223-L275 HydrophobicContact CD1-CD1 3.84Å; L223-L275 HydrophobicContact CD2-CD1 4.24Å; L223-M413 HydrophobicContact CD1-SD 4.04Å | ||
| 224 | V | 96 | Very high | 96 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -129.8 | 128 | -176.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | I218 K219 I228 W229 I262 S266 | I218-V224 HydrophobicContact CG2-CB 4.42Å; I218-V224 HydrophobicContact CG2-CG2 3.41Å; I218-V224 VanDerWaalsContact CG2-CG2 3.41Å; K219-V224 HydrophobicContact CD-CB 4.46Å; K219-V224 PolarHBondContact NZ-O 3.18Å; V224-I228 HydrophobicContact CG1-CB 3.74Å; V224-I228 HydrophobicContact CG1-CG2 3.64Å; V224-W229 HydrophobicContact CG1-CB 4.19Å; V224-I262 HydrophobicContact CG2-CG1 4.17Å; V224-I262 HydrophobicContact CG2-CG2 3.8Å; V224-S266 WeakPolarHBondContact CG2-OG 2.98Å |
| 225 | S | 96.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 55.7 Ų | 55.7 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | trans | -61.4 | 155.3 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 111.6 | R227 I228 W229 | S225-R227 PolarHBondContact O-N 3.11Å; S225-I228 PolarHBondContact O-N 3.08Å; S225-I228 PolarHBondContact OG-N 2.67Å; S225-W229 WeakPolarHBondContact O-CB 3.45Å; S225-W229 PolarHBondContact O-N 2.93Å | ||
| 226 | E | 96.2 | Very high | 95.5 | Very high | 138 Ų | 138 | 55.7 Ų | 55.7 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.6 | -37.2 | 176.1 | -172.1 | 175.4 | 178 | 0 | 0 | 112.4 | W229 N230 | E226-W229 PolarHBondContact O-N 3.27Å; E226-N230 WeakPolarHBondContact O-CB 3.36Å; E226-N230 PolarHBondContact O-N 3.39Å; E226-N230 PolarHBondContact O-ND2 3.18Å |
| 227 | R | 96.7 | Very high | 95 | Very high | 193 Ų | 193 | 54.7 Ų | 54.7 | 73% | 0.728 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.2 | -55.5 | 176.6 | -179 | 179.5 | 175.5 | 176.1 | 0.7 | 112.4 | S225 W229 N230 D231 | S225-R227 PolarHBondContact O-N 3.11Å; R227-W229 PolarHBondContact O-N 3.06Å; R227-N230 PolarHBondContact O-N 3.41Å; R227-D231 PolarHBondContact O-N 3.41Å |
| 228 | I | 95.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -37.9 | -179 | -66.8 | 162.2 | 0 | 0 | 0 | 110.3 | V224 S225 D231 L232 Y261 I262 | V224-I228 HydrophobicContact CG1-CB 3.74Å; V224-I228 HydrophobicContact CG1-CG2 3.64Å; S225-I228 PolarHBondContact O-N 3.08Å; S225-I228 PolarHBondContact OG-N 2.67Å; I228-D231 PolarHBondContact O-N 3.44Å; I228-L232 WeakPolarHBondContact O-CB 3.25Å; I228-L232 PolarHBondContact O-N 3.06Å; I228-Y261 HydrophobicContact CD1-CE1 3.81Å; I228-Y261 HydrophobicContact CG1-CE1 4.45Å; I228-I262 HydrophobicContact CG2-CD1 4Å; I228-I262 HydrophobicContact CG2-CG1 3.8Å |
| 229 | W | 95.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 6% | 0.064 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.7 | -177.5 | -112.5 | 0 | 0 | 0 | 112.8 | Y216 K219 V224 S225 E226 R227 D231 L232 L233 F247 | Y216-W229 AromaticContact CD1-CH2 3.91Å; Y216-W229 HydrophobicContact CD1-CH2 3.91Å; Y216-W229 HydrophobicContact CD1-CZ2 4.11Å; Y216-W229 AromaticContact CE1-CH2 3.94Å; Y216-W229 HydrophobicContact CE1-CH2 3.94Å; Y216-W229 AromaticContact CE1-CZ2 3.89Å; Y216-W229 HydrophobicContact CE1-CZ2 3.89Å; Y216-W229 HydrophobicContact CG-CH2 4.25Å; K219-W229 HydrophobicContact CB-CD2 3.99Å; K219-W229 HydrophobicContact CB-CE3 3.68Å; K219-W229 HydrophobicContact CB-CH2 4.16Å; K219-W229 HydrophobicContact CB-CZ2 4.46Å; K219-W229 HydrophobicContact CB-CZ3 3.76Å; K219-W229 HydrophobicContact CD-CB 3.85Å; K219-W229 HydrophobicContact CD-CD2 3.85Å; K219-W229 HydrophobicContact CD-CE3 4.21Å; K219-W229 HydrophobicContact CD-CG 3.66Å; K219-W229 HydrophobicContact CG-CD2 3.58Å; K219-W229 HydrophobicContact CG-CE3 3.84Å; K219-W229 HydrophobicContact CG-CG 3.91Å; K219-W229 HydrophobicContact CG-CH2 4.44Å; K219-W229 HydrophobicContact CG-CZ2 4.24Å; K219-W229 HydrophobicContact CG-CZ3 4.25Å; V224-W229 HydrophobicContact CG1-CB 4.19Å; S225-W229 WeakPolarHBondContact O-CB 3.45Å; S225-W229 PolarHBondContact O-N 2.93Å; E226-W229 PolarHBondContact O-N 3.27Å; R227-W229 PolarHBondContact O-N 3.06Å; W229-D231 VanDerWaalsContact C-N 3.35Å; W229-L232 HydrophobicContact CE3-CD2 3.83Å; W229-L232 HydrophobicContact CZ3-CD2 3.65Å; W229-L232 WeakPolarHBondContact O-CB 3.15Å; W229-L232 PolarHBondContact O-N 3.27Å; W229-L233 HydrophobicContact CZ2-CD2 4.06Å; W229-L233 HydrophobicContact CZ2-CG 4.38Å; W229-L233 WeakPolarHBondContact O-CG 3.4Å; W229-L233 PolarHBondContact O-N 3.43Å; W229-F247 HydrophobicContact CH2-CE1 4.45Å; W229-F247 HydrophobicContact CH2-CE2 4.43Å; W229-F247 AromaticContact CH2-CZ 3.66Å; W229-F247 HydrophobicContact CH2-CZ 3.66Å; W229-F247 HydrophobicContact CZ2-CZ 4.5Å; W229-F247 HydrophobicContact CZ3-CZ 4.07Å |
| 230 | N | 94.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 67.7 Ų | 67.7 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.4 | -69.7 | -16.8 | 0 | 0 | 0 | 111.7 | E226 R227 L233 G234 | E226-N230 WeakPolarHBondContact O-CB 3.36Å; E226-N230 PolarHBondContact O-N 3.39Å; E226-N230 PolarHBondContact O-ND2 3.18Å; R227-N230 PolarHBondContact O-N 3.41Å; N230-L233 PolarHBondContact O-N 3.32Å; N230-G234 PolarHBondContact O-N 3.1Å |
| 231 | D | 94 | Very high | 88.5 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 35% | 0.353 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 173.6 | -69.3 | -18.7 | 0 | 0 | 0 | 111 | R227 I228 W229 G234 H235 L258 | R227-D231 PolarHBondContact O-N 3.41Å; I228-D231 PolarHBondContact O-N 3.44Å; W229-D231 VanDerWaalsContact C-N 3.35Å; D231-G234 PolarHBondContact O-N 3.34Å; D231-H235 WeakPolarHBondContact O-CB 3.4Å; D231-H235 PolarHBondContact O-CD2 2.99Å; D231-H235 VanDerWaalsContact O-CD2 3.23Å; D231-H235 PolarHBondContact O-N 2.57Å; D231-L258 HydrophobicContact CB-CD1 4.1Å; D231-L258 HydrophobicContact CB-CD2 4.32Å |
| 232 | L | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.3 | -175.2 | 76.7 | 0 | 0 | 0 | 110.9 | L215 I228 W229 G234 H235 C236 F247 L258 I259 I262 | L215-L232 HydrophobicContact CB-CD2 4.46Å; L215-L232 HydrophobicContact CD1-CD2 4.41Å; I228-L232 WeakPolarHBondContact O-CB 3.25Å; I228-L232 PolarHBondContact O-N 3.06Å; W229-L232 HydrophobicContact CE3-CD2 3.83Å; W229-L232 HydrophobicContact CZ3-CD2 3.65Å; W229-L232 WeakPolarHBondContact O-CB 3.15Å; W229-L232 PolarHBondContact O-N 3.27Å; L232-G234 PolarHBondContact O-N 2.77Å; L232-H235 PolarHBondContact O-N 3.11Å; L232-C236 VanDerWaalsContact CD1-SG 3.52Å; L232-C236 WeakPolarHBondContact O-CB 3.32Å; L232-C236 PolarHBondContact O-N 2.72Å; L232-C236 PolarHBondContact O-SG 2.95Å; L232-F247 HydrophobicContact CD1-CD1 4.5Å; L232-F247 HydrophobicContact CD2-CD1 3.96Å; L232-F247 HydrophobicContact CD2-CE1 3.67Å; L232-F247 HydrophobicContact CD2-CZ 4.13Å; L232-F247 HydrophobicContact CG-CD1 3.98Å; L232-F247 HydrophobicContact CG-CE1 3.95Å; L232-L258 HydrophobicContact CD1-CB 4.01Å; L232-I259 HydrophobicContact CD1-CG1 3.78Å; L232-I262 HydrophobicContact CD1-CD1 4.09Å; L232-I262 HydrophobicContact CD2-CD1 3.92Å; L232-I262 HydrophobicContact CG-CD1 4.41Å |
| 233 | L | 92.4 | Very high | 85.6 | Confident | 56 Ų | 56 | 78 Ų | 78 | 29% | 0.293 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 178 | -70.3 | 177.6 | 0 | 0 | 0 | 111.7 | W229 N230 H235 C237 F247 | W229-L233 HydrophobicContact CZ2-CD2 4.06Å; W229-L233 HydrophobicContact CZ2-CG 4.38Å; W229-L233 WeakPolarHBondContact O-CG 3.4Å; W229-L233 PolarHBondContact O-N 3.43Å; N230-L233 PolarHBondContact O-N 3.32Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 2.99Å; L233-C237 VanDerWaalsContact O-CB 3.28Å; L233-C237 WeakPolarHBondContact O-CB 3.28Å; L233-C237 PolarHBondContact O-N 3.38Å; L233-F247 HydrophobicContact CD2-CE1 4.14Å; L233-F247 HydrophobicContact CD2-CZ 4.48Å |
| 234 | G | 91.3 | Very high | 85.1 | Confident | 50 Ų | 50 | 77.9 Ų | 77.9 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -30.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N230 D231 L232 | N230-G234 PolarHBondContact O-N 3.1Å; D231-G234 PolarHBondContact O-N 3.34Å; L232-G234 PolarHBondContact O-N 2.77Å |
| 235 | H | 92.3 | Very high | 84.8 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 27% | 0.269 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -99.1 | -16.7 | -177.5 | -73.1 | -51.1 | 0 | 0 | 0 | 115.3 | D231 L232 L233 Y238 S252 K254 C255 L258 | D231-H235 WeakPolarHBondContact O-CB 3.4Å; D231-H235 PolarHBondContact O-CD2 2.99Å; D231-H235 VanDerWaalsContact O-CD2 3.23Å; D231-H235 PolarHBondContact O-N 2.57Å; L232-H235 PolarHBondContact O-N 3.11Å; L233-H235 VanDerWaalsContact C-N 3.3Å; L233-H235 PolarHBondContact O-N 2.99Å; H235-Y238 WeakPolarHBondContact O-CE2 3.3Å; H235-Y238 PolarHBondContact O-OH 2.94Å; H235-S252 PolarHBondContact O-OG 3.45Å; H235-K254 HydrophobicContact CB-CB 4.4Å; H235-C255 HydrophobicContact CB-CB 4.49Å; H235-C255 WeakPolarHBondContact O-CB 3.48Å; H235-L258 HydrophobicContact CB-CD1 4.09Å |
| 236 | C | 92.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -112.1 | -26.6 | -176.3 | -60.3 | 0 | 0 | 0 | 0 | 114.6 | L232 F247 C255 | L232-C236 VanDerWaalsContact CD1-SG 3.52Å; L232-C236 WeakPolarHBondContact O-CB 3.32Å; L232-C236 PolarHBondContact O-N 2.72Å; L232-C236 PolarHBondContact O-SG 2.95Å; C236-F247 HydrophobicContact CB-CB 4.39Å; C236-F247 HydrophobicContact CB-CD1 3.75Å; C236-C255 VanDerWaalsContact CA-SG 3.56Å; C236-C255 HydrophobicContact CB-CB 4.04Å; C236-C255 WeakPolarHBondContact CB-SG 3.44Å; C236-C255 WeakPolarHBondContact SG-CA 3.16Å; C236-C255 WeakPolarHBondContact SG-CB 2.98Å; C236-C255 CovalentContact SG-SG 2.03Å; C236-C255 PolarHBondContact SG-SG 2.71Å |
| 237 | C | 87.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | trans | -109.6 | 16 | -162 | -56.1 | 0 | 0 | 0 | 0 | 115.9 | L233 N239 Q240 C245 F247 | L233-C237 VanDerWaalsContact O-CB 3.28Å; L233-C237 WeakPolarHBondContact O-CB 3.28Å; L233-C237 PolarHBondContact O-N 3.38Å; C237-N239 PolarHBondContact O-N 3.26Å; C237-Q240 PolarHBondContact O-N 3.36Å; C237-C245 WeakPolarHBondContact CA-SG 3.49Å; C237-C245 HydrophobicContact CB-CB 3.79Å; C237-C245 WeakPolarHBondContact CB-SG 3.39Å; C237-C245 WeakPolarHBondContact SG-CB 3.25Å; C237-C245 CovalentContact SG-SG 2.02Å; C237-C245 PolarHBondContact SG-SG 2.9Å; C237-F247 WeakPolarHBondContact SG-CE1 3.42Å | ||
| 238 | Y | 73.8 | Confident | 84 | Confident | 133 Ų | 133 | 60.8 Ų | 60.8 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -22.8 | 92.7 | -174.9 | -58.8 | -84.5 | 0 | 0 | 0 | 115.3 | H235 Q240 | H235-Y238 WeakPolarHBondContact O-CE2 3.3Å; H235-Y238 PolarHBondContact O-OH 2.94Å; Y238-Q240 PolarHBondContact O-N 3.23Å |
| 239 | N | 63.9 | Low | 83.5 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 25.6 | 179.1 | -65.2 | -13.8 | 0 | 0 | 0 | 116.1 | C237 Y241 | C237-N239 PolarHBondContact O-N 3.26Å; N239-Y241 HydrophobicContact CB-CE2 4.32Å; N239-Y241 VanDerWaalsContact O-CD2 3.23Å; N239-Y241 WeakPolarHBondContact O-CD2 3.3Å; N239-Y241 PolarHBondContact O-N 3.06Å |
| 240 | Q | 61.3 | Low | 82.3 | Confident | 44 Ų | 44 | 68.3 Ų | 68.3 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | trans | -76.4 | 92.8 | 175.4 | -69.3 | -167.5 | -6.9 | 0 | 0 | 109.8 | C237 Y238 Y242 | C237-Q240 PolarHBondContact O-N 3.36Å; Y238-Q240 PolarHBondContact O-N 3.23Å; Q240-Y242 HydrophobicContact CB-CD2 4.33Å; Q240-Y242 PolarHBondContact O-N 3.47Å | ||
| 241 | Y | 54.3 | Low | 81.4 | Confident | 212 Ų | 212 | 65.9 Ų | 65.9 | 83% | 0.831 | 33% | 0.333 | S | S | * | . | trans | -79.8 | 45.5 | 171.6 | -64.1 | -80.6 | 0 | 0 | 0 | 112.7 | N239 | N239-Y241 HydrophobicContact CB-CE2 4.32Å; N239-Y241 VanDerWaalsContact O-CD2 3.23Å; N239-Y241 WeakPolarHBondContact O-CD2 3.3Å; N239-Y241 PolarHBondContact O-N 3.06Å | ||
| 242 | Y | 57.5 | Low | 81.2 | Confident | 179 Ų | 179 | 64.4 Ų | 64.4 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -84.8 | 161.6 | 160.6 | -67 | -75.6 | 0 | 0 | 0 | 108.6 | Q240 H244 | Q240-Y242 HydrophobicContact CB-CD2 4.33Å; Q240-Y242 PolarHBondContact O-N 3.47Å; Y242-H244 PolarHBondContact O-N 2.83Å |
| 243 | S | 76.5 | Confident | 81.2 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 80% | 0.797 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -50.2 | -21.5 | 178.6 | 43.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 244 | H | 85.2 | Confident | 81.3 | Confident | 37 Ų | 37 | 72 Ų | 72 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -157.4 | 155.7 | 174.5 | 46.1 | 65.3 | 0 | 0 | 0 | 109.7 | Y216 Y242 M246 W422 | Y216-H244 HydrophobicContact CE2-CB 3.88Å; Y242-H244 PolarHBondContact O-N 2.83Å; H244-M246 WeakPolarHBondContact CE1-CE 3.27Å; H244-M246 WeakPolarHBondContact ND1-CE 3.4Å; H244-W422 HydrophobicContact CB-CH2 3.99Å; H244-W422 HydrophobicContact CB-CZ2 3.9Å; H244-W422 AromaticContact CD2-CE2 3.54Å; H244-W422 AromaticContact CD2-CZ2 3.5Å; H244-W422 VanDerWaalsContact CD2-CZ2 3.5Å; H244-W422 WeakPolarHBondContact CD2-CZ2 3.48Å; H244-W422 AromaticContact CD2-NE1 3.85Å; H244-W422 AromaticContact CG-CE2 3.96Å; H244-W422 AromaticContact CG-CH2 3.63Å; H244-W422 AromaticContact CG-CZ2 3.47Å; H244-W422 VanDerWaalsContact CG-CZ2 3.47Å; H244-W422 AromaticContact ND1-CH2 3.77Å; H244-W422 AromaticContact ND1-CZ2 3.98Å; H244-W422 AromaticContact ND1-CZ3 3.96Å; H244-W422 AromaticContact NE2-CD2 3.89Å; H244-W422 AromaticContact NE2-CE2 3.72Å; H244-W422 AromaticContact NE2-NE1 3.99Å |
| 245 | C | 89.6 | Confident | 81.5 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | trans | -77 | 141.8 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 112 | Y216 C237 F247 | Y216-C245 WeakPolarHBondContact OH-CB 3.31Å; Y216-C245 PolarHBondContact OH-N 3.31Å; C237-C245 WeakPolarHBondContact CA-SG 3.49Å; C237-C245 HydrophobicContact CB-CB 3.79Å; C237-C245 WeakPolarHBondContact CB-SG 3.39Å; C237-C245 WeakPolarHBondContact SG-CB 3.25Å; C237-C245 CovalentContact SG-SG 2.02Å; C237-C245 PolarHBondContact SG-SG 2.9Å; C245-F247 HydrophobicContact CB-CD1 4.38Å; C245-F247 HydrophobicContact CB-CE1 4.02Å; C245-F247 HydrophobicContact CB-CZ 4.09Å | ||
| 246 | M | 92.1 | Very high | 81.7 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | trans | -101.7 | 77.3 | 170.7 | -68.1 | -69.3 | 126.3 | 0 | 0 | 109.7 | K208 F209 N212 H244 T248 E249 W422 | K208-M246 HydrophobicContact CD-SD 4.29Å; K208-M246 WeakPolarHBondContact CE-SD 3.31Å; K208-M246 HydrophobicContact CG-SD 4.03Å; F209-M246 HydrophobicContact CD1-CE 4.5Å; F209-M246 HydrophobicContact CD1-SD 4.48Å; N212-M246 HydrophobicContact CB-CE 4.33Å; N212-M246 HydrophobicContact CB-SD 4.09Å; N212-M246 PolarHBondContact ND2-SD 3.17Å; N212-M246 VanDerWaalsContact ND2-SD 3.44Å; N212-M246 VanDerWaalsContact OD1-C 3.25Å; H244-M246 WeakPolarHBondContact CE1-CE 3.27Å; H244-M246 WeakPolarHBondContact ND1-CE 3.4Å; M246-T248 PolarHBondContact O-N 2.78Å; M246-E249 HydrophobicContact CB-CB 4.28Å; M246-E249 HydrophobicContact CB-CG 3.86Å; M246-E249 WeakPolarHBondContact CB-OE2 3.45Å; M246-E249 PolarHBondContact O-N 2.8Å; M246-E249 VanDerWaalsContact O-N 3.08Å; M246-W422 HydrophobicContact CE-CE3 3.99Å; M246-W422 HydrophobicContact CE-CH2 4.33Å; M246-W422 HydrophobicContact CE-CZ3 3.62Å | ||
| 247 | F | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -29.4 | -179.8 | -49.8 | -78.8 | 0 | 0 | 0 | 115.1 | N212 L215 Y216 W229 L232 L233 C236 C237 C245 I259 | N212-F247 HydrophobicContact CB-CD2 4.29Å; N212-F247 VanDerWaalsContact OD1-CA 3.32Å; N212-F247 WeakPolarHBondContact OD1-CA 3.18Å; N212-F247 WeakPolarHBondContact OD1-CB 3.4Å; N212-F247 PolarHBondContact OD1-N 2.7Å; L215-F247 HydrophobicContact CB-CD2 3.92Å; L215-F247 HydrophobicContact CB-CE2 3.74Å; L215-F247 HydrophobicContact CB-CZ 4.42Å; L215-F247 HydrophobicContact CD1-CB 3.63Å; L215-F247 HydrophobicContact CD1-CD1 4.32Å; L215-F247 HydrophobicContact CD1-CD2 3.37Å; L215-F247 HydrophobicContact CD1-CE2 4.05Å; L215-F247 HydrophobicContact CD1-CG 3.53Å; L215-F247 HydrophobicContact CG-CD2 4.26Å; Y216-F247 AromaticContact CD2-CE2 3.63Å; Y216-F247 HydrophobicContact CD2-CE2 3.63Å; Y216-F247 HydrophobicContact CD2-CZ 4.19Å; Y216-F247 HydrophobicContact CE2-CD2 4.38Å; Y216-F247 AromaticContact CE2-CE2 3.29Å; Y216-F247 HydrophobicContact CE2-CE2 3.29Å; Y216-F247 AromaticContact CE2-CZ 3.62Å; Y216-F247 HydrophobicContact CE2-CZ 3.62Å; Y216-F247 AromaticContact CZ-CZ 3.88Å; W229-F247 HydrophobicContact CH2-CE1 4.45Å; W229-F247 HydrophobicContact CH2-CE2 4.43Å; W229-F247 AromaticContact CH2-CZ 3.66Å; W229-F247 HydrophobicContact CH2-CZ 3.66Å; W229-F247 HydrophobicContact CZ2-CZ 4.5Å; W229-F247 HydrophobicContact CZ3-CZ 4.07Å; L232-F247 HydrophobicContact CD1-CD1 4.5Å; L232-F247 HydrophobicContact CD2-CD1 3.96Å; L232-F247 HydrophobicContact CD2-CE1 3.67Å; L232-F247 HydrophobicContact CD2-CZ 4.13Å; L232-F247 HydrophobicContact CG-CD1 3.98Å; L232-F247 HydrophobicContact CG-CE1 3.95Å; L233-F247 HydrophobicContact CD2-CE1 4.14Å; L233-F247 HydrophobicContact CD2-CZ 4.48Å; C236-F247 HydrophobicContact CB-CB 4.39Å; C236-F247 HydrophobicContact CB-CD1 3.75Å; C237-F247 WeakPolarHBondContact SG-CE1 3.42Å; C245-F247 HydrophobicContact CB-CD1 4.38Å; C245-F247 HydrophobicContact CB-CE1 4.02Å; C245-F247 HydrophobicContact CB-CZ 4.09Å; F247-I259 HydrophobicContact CB-CD1 4.05Å |
| 248 | T | 89.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.9 | -177.9 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | D211 N212 M246 F315 | D211-T248 HydrophobicContact CB-CG2 3.83Å; N212-T248 PolarHBondContact ND2-OG1 2.86Å; N212-T248 PolarHBondContact OD1-N 2.86Å; M246-T248 PolarHBondContact O-N 2.78Å; T248-F315 HydrophobicContact CG2-CD1 4.17Å; T248-F315 HydrophobicContact CG2-CE1 4.33Å |
| 249 | E | 84.8 | Confident | 83.3 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -45.5 | -174.9 | -73.4 | -170.4 | 144.3 | 0 | 0 | 114 | K208 M246 | K208-E249 HydrophobicContact CD-CG 4.49Å; K208-E249 WeakPolarHBondContact CE-OE1 3.37Å; K208-E249 IonicContact NZ-OE1 2.79Å; K208-E249 PolarHBondContact NZ-OE1 3.45Å; K208-E249 IonicContact NZ-OE2 2.94Å; M246-E249 HydrophobicContact CB-CB 4.28Å; M246-E249 HydrophobicContact CB-CG 3.86Å; M246-E249 WeakPolarHBondContact CB-OE2 3.45Å; M246-E249 PolarHBondContact O-N 2.8Å; M246-E249 VanDerWaalsContact O-N 3.08Å |
| 250 | I | 71 | Confident | 84.7 | Confident | 103 Ų | 103 | 61 Ų | 61 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -129.5 | 79.8 | -178 | -55.2 | 179 | 0 | 0 | 0 | 107.7 | ||
| 251 | S | 74.4 | Confident | 86.3 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | trans | -107.2 | 106.7 | -174.9 | 58.5 | 0 | 0 | 0 | 0 | 111 | C255 Q256 | S251-C255 VanDerWaalsContact CB-SG 3.53Å; S251-Q256 PolarHBondContact O-NE2 3.4Å; S251-Q256 WeakPolarHBondContact OG-CG 3.48Å; S251-Q256 PolarHBondContact OG-NE2 2.78Å | ||
| 252 | S | 90.6 | Very high | 88.2 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | trans | -54.9 | 160.4 | 164.8 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | H235 K254 C255 Q256 | H235-S252 PolarHBondContact O-OG 3.45Å; S252-K254 PolarHBondContact O-N 3.39Å; S252-C255 WeakPolarHBondContact O-CA 3.31Å; S252-C255 VanDerWaalsContact O-CB 3.31Å; S252-C255 WeakPolarHBondContact O-CB 3.25Å; S252-C255 PolarHBondContact O-N 2.81Å; S252-C255 WeakPolarHBondContact OG-CB 3.26Å; S252-C255 PolarHBondContact OG-N 3.39Å; S252-C255 VanDerWaalsContact OG-N 3.08Å; S252-Q256 PolarHBondContact O-N 3.26Å | ||
| 253 | D | 94.5 | Very high | 89.8 | Confident | 85 Ų | 85 | 46 Ų | 46 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -48.4 | -46.1 | 172.7 | 173.6 | 78.6 | 0 | 0 | 0 | 112 | C255 Q256 H257 K319 Y320 | D253-C255 PolarHBondContact O-N 3.39Å; D253-Q256 PolarHBondContact O-N 3.37Å; D253-H257 WeakPolarHBondContact O-CB 3.27Å; D253-H257 PolarHBondContact O-N 3.15Å; D253-K319 WeakPolarHBondContact OD1-CE 3.44Å; D253-K319 IonicContact OD1-NZ 3.8Å; D253-K319 PolarHBondContact OD1-NZ 2.93Å; D253-Y320 PolarHBondContact OD1-OH 3.36Å; D253-Y320 VanDerWaalsContact OD1-OH 3.08Å |
| 254 | K | 94.5 | Very high | 90.3 | Very high | 129 Ų | 129 | 42.1 Ų | 42.1 | 56% | 0.561 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -60.5 | -43.3 | 175.4 | -67.3 | -174.9 | 178 | -176.8 | 0 | 112.7 | H235 S252 H257 L258 | H235-K254 HydrophobicContact CB-CB 4.4Å; S252-K254 PolarHBondContact O-N 3.39Å; K254-H257 PolarHBondContact O-N 3.29Å; K254-L258 WeakPolarHBondContact O-CB 3.48Å; K254-L258 WeakPolarHBondContact O-CG 3.13Å; K254-L258 PolarHBondContact O-N 3.01Å |
| 255 | C | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.3 | H235 C236 S251 S252 D253 H257 L258 I259 | H235-C255 HydrophobicContact CB-CB 4.49Å; H235-C255 WeakPolarHBondContact O-CB 3.48Å; C236-C255 VanDerWaalsContact CA-SG 3.56Å; C236-C255 HydrophobicContact CB-CB 4.04Å; C236-C255 WeakPolarHBondContact CB-SG 3.44Å; C236-C255 WeakPolarHBondContact SG-CA 3.16Å; C236-C255 WeakPolarHBondContact SG-CB 2.98Å; C236-C255 CovalentContact SG-SG 2.03Å; C236-C255 PolarHBondContact SG-SG 2.71Å; S251-C255 VanDerWaalsContact CB-SG 3.53Å; S252-C255 WeakPolarHBondContact O-CA 3.31Å; S252-C255 VanDerWaalsContact O-CB 3.31Å; S252-C255 WeakPolarHBondContact O-CB 3.25Å; S252-C255 PolarHBondContact O-N 2.81Å; S252-C255 WeakPolarHBondContact OG-CB 3.26Å; S252-C255 PolarHBondContact OG-N 3.39Å; S252-C255 VanDerWaalsContact OG-N 3.08Å; D253-C255 PolarHBondContact O-N 3.39Å; C255-H257 VanDerWaalsContact C-N 3.29Å; C255-H257 PolarHBondContact O-N 3.28Å; C255-L258 PolarHBondContact O-N 2.95Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 3.27Å |
| 256 | Q | 95.9 | Very high | 90.4 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 179.3 | -64.8 | -174.9 | 47.7 | 0 | 0 | 111.9 | S251 S252 D253 I259 D260 N318 Y320 | S251-Q256 PolarHBondContact O-NE2 3.4Å; S251-Q256 WeakPolarHBondContact OG-CG 3.48Å; S251-Q256 PolarHBondContact OG-NE2 2.78Å; S252-Q256 PolarHBondContact O-N 3.26Å; D253-Q256 PolarHBondContact O-N 3.37Å; Q256-I259 PolarHBondContact O-N 3.25Å; Q256-D260 PolarHBondContact O-N 2.71Å; Q256-N318 PolarHBondContact O-ND2 3.14Å; Q256-Y320 HydrophobicContact CB-CD2 4.03Å; Q256-Y320 HydrophobicContact CB-CE2 3.94Å |
| 257 | H | 95.6 | Very high | 90.3 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 175.3 | -180 | -89.8 | 0 | 0 | 0 | 112 | D253 K254 C255 D260 Y261 Y320 | D253-H257 WeakPolarHBondContact O-CB 3.27Å; D253-H257 PolarHBondContact O-N 3.15Å; K254-H257 PolarHBondContact O-N 3.29Å; C255-H257 VanDerWaalsContact C-N 3.29Å; C255-H257 PolarHBondContact O-N 3.28Å; H257-D260 PolarHBondContact O-N 3.16Å; H257-Y261 VanDerWaalsContact O-CB 3.3Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å; H257-Y320 VanDerWaalsContact CA-CE2 3.46Å; H257-Y320 HydrophobicContact CB-CD2 4.47Å; H257-Y320 HydrophobicContact CB-CE2 3.69Å; H257-Y320 AromaticContact CD2-CZ 3.96Å; H257-Y320 VanDerWaalsContact N-CE2 3.31Å |
| 258 | L | 95.8 | Very high | 90 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.5 | -76 | 165.9 | 0 | 0 | 0 | 112 | D231 L232 H235 K254 C255 Y261 I262 | D231-L258 HydrophobicContact CB-CD1 4.1Å; D231-L258 HydrophobicContact CB-CD2 4.32Å; L232-L258 HydrophobicContact CD1-CB 4.01Å; H235-L258 HydrophobicContact CB-CD1 4.09Å; K254-L258 WeakPolarHBondContact O-CB 3.48Å; K254-L258 WeakPolarHBondContact O-CG 3.13Å; K254-L258 PolarHBondContact O-N 3.01Å; C255-L258 PolarHBondContact O-N 2.95Å; L258-Y261 PolarHBondContact O-N 3.46Å; L258-I262 VanDerWaalsContact O-CG1 3.29Å; L258-I262 WeakPolarHBondContact O-CG1 3.22Å; L258-I262 PolarHBondContact O-N 2.88Å |
| 259 | I | 96 | Very high | 89.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.1 | -51.5 | 173.4 | -67.5 | 170.9 | 0 | 0 | 0 | 110.1 | L215 L232 F247 C255 Q256 Y261 I262 L263 F315 | L215-I259 HydrophobicContact CD1-CD1 4.22Å; L215-I259 HydrophobicContact CD1-CG1 3.99Å; L232-I259 HydrophobicContact CD1-CG1 3.78Å; F247-I259 HydrophobicContact CB-CD1 4.05Å; C255-I259 WeakPolarHBondContact O-CG1 3.49Å; C255-I259 PolarHBondContact O-N 3.27Å; Q256-I259 PolarHBondContact O-N 3.25Å; I259-Y261 VanDerWaalsContact C-N 3.3Å; I259-Y261 PolarHBondContact O-N 2.89Å; I259-I262 PolarHBondContact O-N 2.9Å; I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 VanDerWaalsContact O-CG 3.25Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 2.9Å; I259-F315 HydrophobicContact CG2-CD1 3.53Å; I259-F315 HydrophobicContact CG2-CE1 3.57Å; I259-F315 HydrophobicContact CG2-CG 4.17Å; I259-F315 HydrophobicContact CG2-CZ 4.26Å |
| 260 | D | 94.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 177.6 | -179.7 | 74.9 | 0 | 0 | 0 | 112.1 | Q256 H257 I262 L263 N264 Y320 | Q256-D260 PolarHBondContact O-N 2.71Å; H257-D260 PolarHBondContact O-N 3.16Å; D260-I262 PolarHBondContact O-N 3.24Å; D260-L263 PolarHBondContact O-N 3.31Å; D260-N264 WeakPolarHBondContact O-CB 3.28Å; D260-N264 VanDerWaalsContact O-CG 3.29Å; D260-N264 PolarHBondContact O-N 3.34Å; D260-N264 PolarHBondContact O-ND2 2.86Å; D260-N264 PolarHBondContact OD1-ND2 2.77Å; D260-N264 PolarHBondContact OD2-ND2 3.39Å; D260-Y320 HydrophobicContact CB-CD2 4.35Å; D260-Y320 HydrophobicContact CB-CG 4.2Å |
| 261 | Y | 94 | Very high | 90.9 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.7 | 178.9 | -90.2 | 0 | 0 | 0 | 111.7 | I228 H257 L258 I259 L263 N264 N265 | I228-Y261 HydrophobicContact CD1-CE1 3.81Å; I228-Y261 HydrophobicContact CG1-CE1 4.45Å; H257-Y261 VanDerWaalsContact O-CB 3.3Å; H257-Y261 WeakPolarHBondContact O-CB 3.38Å; H257-Y261 PolarHBondContact O-N 3.33Å; L258-Y261 PolarHBondContact O-N 3.46Å; I259-Y261 VanDerWaalsContact C-N 3.3Å; I259-Y261 PolarHBondContact O-N 2.89Å; Y261-L263 PolarHBondContact O-N 3.38Å; Y261-N264 PolarHBondContact O-N 3.23Å; Y261-N265 VanDerWaalsContact CD2-ND2 3.28Å; Y261-N265 WeakPolarHBondContact CD2-ND2 3.4Å; Y261-N265 HydrophobicContact CE1-CB 4.32Å; Y261-N265 HydrophobicContact CE2-CB 4.34Å; Y261-N265 WeakPolarHBondContact CE2-ND2 3.44Å; Y261-N265 VanDerWaalsContact O-CB 3.31Å; Y261-N265 WeakPolarHBondContact O-CB 3.44Å; Y261-N265 PolarHBondContact O-N 3.17Å; Y261-N265 PolarHBondContact O-ND2 2.78Å |
| 262 | I | 94.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -58.9 | -48.7 | 177.4 | -71 | 166.3 | 0 | 0 | 0 | 110.2 | L215 I218 V224 I228 L232 L258 I259 D260 N264 S266 T267 | L215-I262 HydrophobicContact CD2-CD1 4.36Å; L215-I262 HydrophobicContact CD2-CG2 4.22Å; I218-I262 HydrophobicContact CD1-CG2 4.09Å; I218-I262 HydrophobicContact CG2-CG2 3.87Å; V224-I262 HydrophobicContact CG2-CG1 4.17Å; V224-I262 HydrophobicContact CG2-CG2 3.8Å; I228-I262 HydrophobicContact CG2-CD1 4Å; I228-I262 HydrophobicContact CG2-CG1 3.8Å; L232-I262 HydrophobicContact CD1-CD1 4.09Å; L232-I262 HydrophobicContact CD2-CD1 3.92Å; L232-I262 HydrophobicContact CG-CD1 4.41Å; L258-I262 VanDerWaalsContact O-CG1 3.29Å; L258-I262 WeakPolarHBondContact O-CG1 3.22Å; L258-I262 PolarHBondContact O-N 2.88Å; I259-I262 PolarHBondContact O-N 2.9Å; D260-I262 PolarHBondContact O-N 3.24Å; I262-N264 VanDerWaalsContact C-N 3.29Å; I262-N264 PolarHBondContact O-N 3.43Å; I262-S266 VanDerWaalsContact O-CB 3.26Å; I262-S266 WeakPolarHBondContact O-CB 3.28Å; I262-S266 PolarHBondContact O-N 2.61Å; I262-T267 PolarHBondContact O-N 2.86Å |
| 263 | L | 91.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -66.4 | -27.6 | -177.1 | -62 | 167.6 | 0 | 0 | 0 | 114 | I218 I259 D260 Y261 T267 F315 | I218-L263 HydrophobicContact CD1-CD2 4.33Å; I259-L263 HydrophobicContact CG2-CD1 3.82Å; I259-L263 HydrophobicContact CG2-CG 4.47Å; I259-L263 VanDerWaalsContact O-CG 3.25Å; I259-L263 WeakPolarHBondContact O-CG 3.41Å; I259-L263 PolarHBondContact O-N 2.9Å; D260-L263 PolarHBondContact O-N 3.31Å; Y261-L263 PolarHBondContact O-N 3.38Å; L263-T267 PolarHBondContact O-OG1 3.29Å; L263-F315 HydrophobicContact CD1-CB 4.25Å; L263-F315 HydrophobicContact CD1-CD1 4.28Å; L263-F315 HydrophobicContact CD1-CD2 3.2Å; L263-F315 HydrophobicContact CD1-CE1 4.47Å; L263-F315 HydrophobicContact CD1-CE2 3.48Å; L263-F315 VanDerWaalsContact CD1-CE2 3.48Å; L263-F315 HydrophobicContact CD1-CG 3.65Å; L263-F315 HydrophobicContact CD1-CZ 4.11Å; L263-F315 HydrophobicContact CD2-CD2 3.89Å; L263-F315 HydrophobicContact CD2-CE2 3.3Å; L263-F315 HydrophobicContact CD2-CZ 3.95Å; L263-F315 HydrophobicContact CG-CD2 4.15Å; L263-F315 HydrophobicContact CG-CE2 3.95Å; L263-F315 HydrophobicContact CG-CZ 4.49Å |
| 264 | N | 86.5 | Confident | 92.2 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -98.5 | -19.6 | -177.1 | -66.4 | -49.8 | 0 | 0 | 0 | 114.1 | D260 Y261 I262 Y268 K324 | D260-N264 WeakPolarHBondContact O-CB 3.28Å; D260-N264 VanDerWaalsContact O-CG 3.29Å; D260-N264 PolarHBondContact O-N 3.34Å; D260-N264 PolarHBondContact O-ND2 2.86Å; D260-N264 PolarHBondContact OD1-ND2 2.77Å; D260-N264 PolarHBondContact OD2-ND2 3.39Å; Y261-N264 PolarHBondContact O-N 3.23Å; I262-N264 VanDerWaalsContact C-N 3.29Å; I262-N264 PolarHBondContact O-N 3.43Å; N264-Y268 WeakPolarHBondContact O-CB 3.09Å; N264-K324 WeakPolarHBondContact ND2-CE 3.43Å; N264-K324 PolarHBondContact ND2-NZ 3.34Å; N264-K324 PolarHBondContact OD1-NZ 3.42Å |
| 265 | N | 88.3 | Confident | 92.3 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 47% | 0.465 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -114.2 | -49.4 | -176.2 | -63.1 | -91.4 | 0 | 0 | 0 | 111.7 | Y261 | Y261-N265 VanDerWaalsContact CD2-ND2 3.28Å; Y261-N265 WeakPolarHBondContact CD2-ND2 3.4Å; Y261-N265 HydrophobicContact CE1-CB 4.32Å; Y261-N265 HydrophobicContact CE2-CB 4.34Å; Y261-N265 WeakPolarHBondContact CE2-ND2 3.44Å; Y261-N265 VanDerWaalsContact O-CB 3.31Å; Y261-N265 WeakPolarHBondContact O-CB 3.44Å; Y261-N265 PolarHBondContact O-N 3.17Å; Y261-N265 PolarHBondContact O-ND2 2.78Å |
| 266 | S | 89.3 | Confident | 92.4 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -73.4 | -29.3 | -175.8 | -73.6 | 0 | 0 | 0 | 0 | 113.4 | L223 V224 I262 | L223-S266 WeakPolarHBondContact O-CB 3.38Å; L223-S266 PolarHBondContact O-OG 2.9Å; V224-S266 WeakPolarHBondContact CG2-OG 2.98Å; I262-S266 VanDerWaalsContact O-CB 3.26Å; I262-S266 WeakPolarHBondContact O-CB 3.28Å; I262-S266 PolarHBondContact O-N 2.61Å |
| 267 | T | 88.3 | Confident | 92.2 | Very high | 23 Ų | 23 | 46 Ų | 46 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 7 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | I218 L223 I262 L263 G269 L270 | I218-T267 HydrophobicContact CD1-CG2 3.75Å; I218-T267 HydrophobicContact CG1-CG2 3.96Å; I218-T267 HydrophobicContact CG2-CG2 4.45Å; L223-T267 HydrophobicContact CD1-CG2 4.26Å; I262-T267 PolarHBondContact O-N 2.86Å; L263-T267 PolarHBondContact O-OG1 3.29Å; T267-G269 PolarHBondContact O-N 3.25Å; T267-L270 PolarHBondContact O-N 2.72Å |
| 268 | Y | 86 | Confident | 91.8 | Very high | 109 Ų | 109 | 45.6 Ų | 45.6 | 43% | 0.427 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 129.1 | -178.5 | -175.5 | -93.3 | 0 | 0 | 0 | 111.4 | N264 L270 I282 P295 | N264-Y268 WeakPolarHBondContact O-CB 3.09Å; Y268-L270 PolarHBondContact O-N 3.03Å; Y268-I282 HydrophobicContact CE1-CG2 4.47Å; Y268-P295 HydrophobicContact CD2-CB 4.44Å; Y268-P295 HydrophobicContact CD2-CG 4.47Å |
| 269 | G | 83 | Confident | 91.1 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | -1.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T267 C279 | T267-G269 PolarHBondContact O-N 3.25Å; G269-C279 WeakPolarHBondContact O-CB 3.42Å |
| 270 | L | 89.7 | Confident | 89.8 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -84.5 | 151 | 174.6 | -59.1 | -178.4 | 0 | 0 | 0 | 110.9 | L223 T267 Y268 I272 L275 M413 | L223-L270 HydrophobicContact CD1-CD1 3.75Å; L223-L270 HydrophobicContact CD2-CD1 3.71Å; L223-L270 HydrophobicContact CG-CD1 4.32Å; T267-L270 PolarHBondContact O-N 2.72Å; Y268-L270 PolarHBondContact O-N 3.03Å; L270-I272 PolarHBondContact O-N 2.72Å; L270-L275 HydrophobicContact CD1-CD1 3.85Å; L270-M413 HydrophobicContact CB-CE 4.31Å |
| 271 | N | 92.1 | Very high | 88 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.059 | 29% | 0.29 | C | S | . | . | trans | -78.5 | 111.1 | 173.4 | -175.9 | -14 | 0 | 0 | 0 | 110.6 | Y273 N274 L275 S278 C279 C343 M413 | N271-Y273 PolarHBondContact O-N 3.08Å; N271-Y273 WeakPolarHBondContact OD1-CA 3.4Å; N271-Y273 WeakPolarHBondContact OD1-CB 3.31Å; N271-Y273 PolarHBondContact OD1-N 2.87Å; N271-N274 VanDerWaalsContact CB-O 3.31Å; N271-N274 WeakPolarHBondContact CB-O 3.41Å; N271-N274 CarbonylContact O-C 3.52Å; N271-N274 PolarHBondContact O-N 3.03Å; N271-N274 PolarHBondContact OD1-N 2.94Å; N271-N274 VanDerWaalsContact OD1-N 3.15Å; N271-L275 WeakPolarHBondContact O-CA 3.46Å; N271-L275 PolarHBondContact O-N 3.35Å; N271-S278 PolarHBondContact ND2-O 2.02Å; N271-C279 HydrophobicContact CB-CB 4.22Å; N271-C343 WeakPolarHBondContact CA-SG 3.32Å; N271-C343 HydrophobicContact CB-CB 3.74Å; N271-C343 WeakPolarHBondContact ND2-CB 3.38Å; N271-M413 WeakPolarHBondContact O-CE 3.29Å | ||
| 272 | I | 94 | Very high | 86.2 | Confident | 47 Ų | 47 | 58 Ų | 58 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -68.7 | -26 | -179.1 | -162.3 | 173.2 | 0 | 0 | 0 | 112.4 | L270 L314 P342 M413 A414 | L270-I272 PolarHBondContact O-N 2.72Å; I272-L314 HydrophobicContact CD1-CD1 3.66Å; I272-P342 HydrophobicContact CG2-CB 4.23Å; I272-P342 HydrophobicContact CG2-CG 3.61Å; I272-M413 HydrophobicContact CG1-CB 3.81Å; I272-M413 WeakPolarHBondContact O-CA 3.39Å; I272-M413 WeakPolarHBondContact O-CB 3.3Å; I272-M413 PolarHBondContact O-N 3.3Å; I272-A414 HydrophobicContact CG1-CB 4.27Å; I272-A414 PolarHBondContact O-N 3.46Å |
| 273 | Y | 95.6 | Very high | 84 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -84.6 | -26.9 | 178.1 | -62.1 | -39.6 | 0 | 0 | 0 | 112.2 | N271 L341 P342 A414 G472 H473 M474 | N271-Y273 PolarHBondContact O-N 3.08Å; N271-Y273 WeakPolarHBondContact OD1-CA 3.4Å; N271-Y273 WeakPolarHBondContact OD1-CB 3.31Å; N271-Y273 PolarHBondContact OD1-N 2.87Å; Y273-L341 HydrophobicContact CE2-CB 4.27Å; Y273-L341 HydrophobicContact CE2-CD2 4.07Å; Y273-P342 HydrophobicContact CD2-CG 4.21Å; Y273-P342 WeakPolarHBondContact CD2-O 3.21Å; Y273-P342 VanDerWaalsContact CE2-CD 3.49Å; Y273-P342 HydrophobicContact CE2-CG 3.57Å; Y273-A414 HydrophobicContact CD1-CB 3.73Å; Y273-A414 HydrophobicContact CE1-CB 3.76Å; Y273-G472 CarbonylContact O-C 3.54Å; Y273-G472 VanDerWaalsContact O-C 3.28Å; Y273-G472 WeakPolarHBondContact O-CA 3.39Å; Y273-H473 HydrophobicContact CD1-CB 3.63Å; Y273-H473 AromaticContact CD1-CD2 3.7Å; Y273-H473 AromaticContact CD1-CG 3.62Å; Y273-H473 AromaticContact CE1-CD2 3.83Å; Y273-H473 HydrophobicContact CG-CB 3.92Å; Y273-H473 PolarHBondContact O-N 3.5Å; Y273-M474 HydrophobicContact CD2-CE 4.21Å; Y273-M474 HydrophobicContact CG-CE 4.4Å |
| 274 | N | 96.9 | Very high | 81.8 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.102 | 36% | 0.363 | C | S | . | . | trans | -149.3 | 101.9 | 173.2 | -172.5 | -36.7 | 0 | 0 | 0 | 109.5 | N271 Y276 D277 V411 D478 | N271-N274 VanDerWaalsContact CB-O 3.31Å; N271-N274 WeakPolarHBondContact CB-O 3.41Å; N271-N274 CarbonylContact O-C 3.52Å; N271-N274 PolarHBondContact O-N 3.03Å; N271-N274 PolarHBondContact OD1-N 2.94Å; N271-N274 VanDerWaalsContact OD1-N 3.15Å; N274-Y276 PolarHBondContact O-N 3.19Å; N274-Y276 PolarHBondContact OD1-N 2.73Å; N274-D277 HydrophobicContact CB-CB 3.83Å; N274-D277 PolarHBondContact O-N 3.07Å; N274-D277 PolarHBondContact OD1-N 3.27Å; N274-V411 VanDerWaalsContact OD1-CG2 3.27Å; N274-V411 WeakPolarHBondContact OD1-CG2 3.31Å; N274-D478 PolarHBondContact ND2-OD2 3.31Å | ||
| 275 | L | 96.7 | Very high | 79.7 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.6 | -173.5 | 172.6 | 62.6 | 0 | 0 | 0 | 113.5 | F217 H221 L223 L270 N271 V411 M413 | F217-L275 HydrophobicContact CE1-CD2 3.94Å; H221-L275 HydrophobicContact CB-CD2 3.57Å; L223-L275 HydrophobicContact CD1-CD1 3.84Å; L223-L275 HydrophobicContact CD2-CD1 4.24Å; L270-L275 HydrophobicContact CD1-CD1 3.85Å; N271-L275 WeakPolarHBondContact O-CA 3.46Å; N271-L275 PolarHBondContact O-N 3.35Å; L275-V411 PolarHBondContact N-O 3.42Å; L275-M413 HydrophobicContact CB-CE 4.34Å; L275-M413 HydrophobicContact CB-SD 4.49Å; L275-M413 HydrophobicContact CD1-CE 3.79Å; L275-M413 HydrophobicContact CD1-SD 3.99Å |
| 276 | Y | 96.5 | Very high | 77.4 | Confident | 160 Ų | 160 | 74 Ų | 74 | 63% | 0.627 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.7 | -174.5 | -57.2 | -59.2 | 0 | 0 | 0 | 113.8 | H221 N274 V411 | H221-Y276 PolarHBondContact CD2-OH 2.7Å; H221-Y276 VanDerWaalsContact CD2-OH 3.29Å; N274-Y276 PolarHBondContact O-N 3.19Å; N274-Y276 PolarHBondContact OD1-N 2.73Å; Y276-V411 HydrophobicContact CD2-CB 3.76Å; Y276-V411 HydrophobicContact CD2-CG1 3.53Å; Y276-V411 HydrophobicContact CD2-CG2 4.26Å; Y276-V411 HydrophobicContact CE2-CB 3.92Å; Y276-V411 HydrophobicContact CE2-CG1 3.42Å; Y276-V411 VanDerWaalsContact CE2-CG1 3.42Å |
| 277 | D | 92.5 | Very high | 75 | Confident | 95 Ų | 95 | 79 Ų | 79 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -93.7 | 160.5 | 174.6 | -155.5 | 1.2 | 0 | 0 | 0 | 111.7 | N274 | N274-D277 HydrophobicContact CB-CB 3.83Å; N274-D277 PolarHBondContact O-N 3.07Å; N274-D277 PolarHBondContact OD1-N 3.27Å |
| 278 | S | 86.9 | Confident | 72.7 | Confident | 81 Ų | 81 | 85.2 Ų | 85.2 | 57% | 0.566 | 44% | 0.439 | S | S | * | . | trans | -67.8 | 149.7 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | N271 G280 | N271-S278 PolarHBondContact ND2-O 2.02Å; S278-G280 PolarHBondContact OG-N 2.92Å; S278-G280 VanDerWaalsContact OG-N 3.11Å | ||
| 279 | C | 81.3 | Confident | 71 | Confident | 26 Ų | 26 | 87.1 Ų | 87.1 | 18% | 0.176 | 46% | 0.457 | C | S | . | . | trans | -112 | 17.6 | 167.3 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | G269 N271 F296 C343 | G269-C279 WeakPolarHBondContact O-CB 3.42Å; N271-C279 HydrophobicContact CB-CB 4.22Å; C279-F296 HydrophobicContact CB-CE1 4.24Å; C279-F296 HydrophobicContact CB-CZ 4.23Å; C279-F296 WeakPolarHBondContact SG-CE1 3.44Å; C279-F296 WeakPolarHBondContact SG-CZ 3.32Å; C279-C343 HydrophobicContact CB-CB 3.67Å; C279-C343 WeakPolarHBondContact CB-SG 3.35Å; C279-C343 WeakPolarHBondContact SG-CA 3.31Å; C279-C343 WeakPolarHBondContact SG-CB 3.32Å; C279-C343 CovalentContact SG-SG 2Å; C279-C343 PolarHBondContact SG-SG 3.33Å | ||
| 280 | G | 68.1 | Low | 69.4 | Low | 48 Ų | 48 | 89.4 Ų | 89.4 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | trans | 74.8 | -161.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113 | S278 | S278-G280 PolarHBondContact OG-N 2.92Å; S278-G280 VanDerWaalsContact OG-N 3.11Å | ||
| 281 | Y | 56.3 | Low | 67.8 | Low | 228 Ų | 228 | 90.2 Ų | 90.2 | 89% | 0.894 | 47% | 0.471 | S | S | * | . | trans | -79.9 | 123 | -169.8 | -65.8 | -84.2 | 0 | 0 | 0 | 112.4 | N283 | Y281-N283 PolarHBondContact O-N 2.91Š| ||
| 282 | I | 55 | Low | 66.1 | Low | 100 Ų | 100 | 95.8 Ų | 95.8 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | trans | -75.2 | 107.3 | 164.6 | -57.4 | 173.3 | 0 | 0 | 0 | 107.3 | Y268 N284 | Y268-I282 HydrophobicContact CE1-CG2 4.47Å; I282-N284 PolarHBondContact O-N 2.91Å | ||
| 283 | N | 50.1 | Low | 64.5 | Low | 127 Ų | 127 | 94 Ų | 94 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | trans | -69.8 | 116.6 | 170.2 | -85.6 | -9.2 | 0 | 0 | 0 | 109.1 | Y281 T285 | Y281-N283 PolarHBondContact O-N 2.91Å; N283-T285 PolarHBondContact O-N 3.32Å; N283-T285 VanDerWaalsContact O-N 3.1Å | ||
| 284 | N | 45.6 | Very low | 63.1 | Low | 155 Ų | 155 | 93.9 Ų | 93.9 | 83% | 0.829 | 48% | 0.483 | S | S | * | . | trans | -70.8 | 6.7 | 175.2 | -86 | -12 | 0 | 0 | 0 | 114.1 | I282 T286 | I282-N284 PolarHBondContact O-N 2.91Å; N284-T286 PolarHBondContact O-N 3.42Å | ||
| 285 | T | 42.4 | Very low | 61.5 | Low | 84 Ų | 84 | 94.2 Ų | 94.2 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | trans | -90.1 | 106.2 | -177 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | N283 Q287 | N283-T285 PolarHBondContact O-N 3.32Å; N283-T285 VanDerWaalsContact O-N 3.1Å; T285-Q287 PolarHBondContact O-N 3.41Å | ||
| 286 | T | 38.2 | Very low | 60 | Low | 118 Ų | 118 | 96.7 Ų | 96.7 | 72% | 0.724 | 50% | 0.496 | S | S | * | . | trans | -65 | 68 | 169 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | N284 | N284-T286 PolarHBondContact O-N 3.42Š| ||
| 287 | Q | 39.1 | Very low | 59 | Low | 131 Ų | 131 | 89.4 Ų | 89.4 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | trans | -111 | 111.7 | 177.8 | -78.9 | -172.1 | -14.3 | 0 | 0 | 113 | T285 E291 | T285-Q287 PolarHBondContact O-N 3.41Å; Q287-E291 VanDerWaalsContact O-CD 3.22Å | ||
| 288 | Q | 41.5 | Very low | 58.4 | Low | 153 Ų | 153 | 90.3 Ų | 90.3 | 72% | 0.715 | 47% | 0.468 | S | S | * | . | trans | 76.8 | 128.3 | 156.7 | -57.1 | -173.5 | -8 | 0 | 0 | 118.8 | T290 E291 | Q288-T290 PolarHBondContact O-N 3.33Å; Q288-E291 PolarHBondContact O-N 2.94Å; Q288-E291 VanDerWaalsContact O-N 3.1Å | ||
| 289 | N | 49.6 | Very low | 58.2 | Low | 149 Ų | 149 | 89.6 Ų | 89.6 | 80% | 0.797 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 0 | -166.7 | -67.8 | -25.2 | 0 | 0 | 0 | 117.7 | ||
| 290 | T | 49.6 | Very low | 58.1 | Low | 57 Ų | 57 | 90 Ų | 90 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -22.9 | 176.7 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | Q288 Y292 F306 | Q288-T290 PolarHBondContact O-N 3.33Å; T290-Y292 PolarHBondContact O-N 2.88Å; T290-F306 WeakPolarHBondContact O-CE2 3.3Å |
| 291 | E | 55.2 | Low | 58.8 | Low | 70 Ų | 70 | 93.5 Ų | 93.5 | 33% | 0.327 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.3 | -174.4 | -66.3 | -167.1 | 160.7 | 0 | 0 | 115.1 | Q287 Q288 S297 | Q287-E291 VanDerWaalsContact O-CD 3.22Å; Q288-E291 PolarHBondContact O-N 2.94Å; Q288-E291 VanDerWaalsContact O-N 3.1Å; E291-S297 PolarHBondContact O-OG 3.34Å |
| 292 | Y | 57.6 | Low | 60 | Low | 128 Ų | 128 | 88.2 Ų | 88.2 | 50% | 0.502 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 8.7 | -175.7 | -64.5 | -82 | 0 | 0 | 0 | 114.8 | T290 | T290-Y292 PolarHBondContact O-N 2.88Š|
| 293 | L | 60.2 | Low | 61.4 | Low | 11 Ų | 11 | 87 Ų | 87 | 6% | 0.058 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -64.3 | -47.5 | 179.9 | -90.9 | 171.6 | 0 | 0 | 0 | 111.3 | F306 K324 K327 I331 | L293-F306 HydrophobicContact CB-CZ 3.99Å; L293-F306 HydrophobicContact CD1-CE1 4.18Å; L293-F306 HydrophobicContact CD1-CZ 3.84Å; L293-K324 HydrophobicContact CD2-CB 4.23Å; L293-K324 HydrophobicContact CD2-CG 4.3Å; L293-K324 WeakPolarHBondContact O-CD 3.21Å; L293-K324 PolarHBondContact O-NZ 3.33Å; L293-K324 VanDerWaalsContact O-NZ 3.08Å; L293-K327 HydrophobicContact CD1-CD 4.18Å; L293-K327 HydrophobicContact CD1-CG 4.07Å; L293-K327 HydrophobicContact CD2-CB 4.09Å; L293-K327 HydrophobicContact CD2-CD 3.72Å; L293-K327 HydrophobicContact CD2-CG 4.04Å; L293-K327 HydrophobicContact CG-CD 4.25Å; L293-I331 HydrophobicContact CD1-CD1 3.22Å |
| 294 | Y | 66.2 | Low | 63.1 | Low | 17 Ų | 17 | 82.5 Ų | 82.5 | 7% | 0.067 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -135.9 | 153.2 | 178 | -56.8 | -75.7 | 0 | 0 | 0 | 109.7 | F296 S297 H308 D310 K324 R325 L328 | Y294-F296 PolarHBondContact O-N 3.3Å; Y294-S297 WeakPolarHBondContact O-CB 3.48Å; Y294-S297 PolarHBondContact O-N 2.87Å; Y294-S297 VanDerWaalsContact O-N 3.16Å; Y294-S297 PolarHBondContact O-OG 2.83Å; Y294-H308 HydrophobicContact CD2-CB 3.92Å; Y294-H308 HydrophobicContact CE2-CB 4.41Å; Y294-D310 HydrophobicContact CD1-CB 3.65Å; Y294-D310 HydrophobicContact CE1-CB 3.39Å; Y294-D310 WeakPolarHBondContact CE1-OD2 3.34Å; Y294-D310 HydrophobicContact CE2-CB 4.33Å; Y294-D310 HydrophobicContact CG-CB 4.23Å; Y294-D310 PolarHBondContact OH-OD2 2.86Å; Y294-K324 HydrophobicContact CE1-CB 4.29Å; Y294-K324 PolarHBondContact OH-O 3.36Å; Y294-R325 WeakPolarHBondContact OH-CA 3.12Å; Y294-R325 PolarHBondContact OH-N 3.41Å; Y294-L328 HydrophobicContact CE2-CB 4.1Å; Y294-L328 HydrophobicContact CE2-CD1 4.24Å; Y294-L328 HydrophobicContact CE2-CD2 3.81Å; Y294-L328 HydrophobicContact CE2-CG 4.27Å |
| 295 | P | 62.4 | Low | 65.2 | Low | 26 Ų | 26 | 76 Ų | 76 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 135.2 | 161.8 | -23.1 | 34 | 0 | 0 | 0 | 109.4 | Y268 S297 S309 | Y268-P295 HydrophobicContact CD2-CB 4.44Å; Y268-P295 HydrophobicContact CD2-CG 4.47Å; P295-S297 VanDerWaalsContact C-N 3.32Å; P295-S297 PolarHBondContact O-N 2.95Å; P295-S309 PolarHBondContact O-OG 2.88Å; P295-S309 VanDerWaalsContact O-OG 3.08Å |
| 296 | F | 65.8 | Low | 67.5 | Low | 66 Ų | 66 | 72 Ų | 72 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 8.2 | -180 | -40.5 | -66.2 | 0 | 0 | 0 | 116.7 | C279 Y294 K298 P342 C343 | C279-F296 HydrophobicContact CB-CE1 4.24Å; C279-F296 HydrophobicContact CB-CZ 4.23Å; C279-F296 WeakPolarHBondContact SG-CE1 3.44Å; C279-F296 WeakPolarHBondContact SG-CZ 3.32Å; Y294-F296 PolarHBondContact O-N 3.3Å; F296-K298 PolarHBondContact O-N 3.4Å; F296-P342 HydrophobicContact CD2-CB 4.05Å; F296-P342 HydrophobicContact CE2-CB 4.23Å; F296-C343 VanDerWaalsContact CZ-SG 3.6Å |
| 297 | S | 75.8 | Confident | 69.8 | Low | 8 Ų | 8 | 67 Ų | 67 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | trans | -74.5 | 131.1 | 178.5 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | E291 Y294 P295 I307 | E291-S297 PolarHBondContact O-OG 3.34Å; Y294-S297 WeakPolarHBondContact O-CB 3.48Å; Y294-S297 PolarHBondContact O-N 2.87Å; Y294-S297 VanDerWaalsContact O-N 3.16Å; Y294-S297 PolarHBondContact O-OG 2.83Å; P295-S297 VanDerWaalsContact C-N 3.32Å; P295-S297 PolarHBondContact O-N 2.95Å; S297-I307 VanDerWaalsContact CA-O 3.22Å; S297-I307 WeakPolarHBondContact CA-O 3.42Å; S297-I307 WeakPolarHBondContact CB-O 3.42Å | ||
| 298 | K | 79 | Confident | 72.3 | Confident | 114 Ų | 114 | 60.8 Ų | 60.8 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 157 | 179.9 | 66.7 | -175.8 | 177.9 | -171.9 | 0 | 110.8 | F296 I307 | F296-K298 PolarHBondContact O-N 3.4Å; K298-I307 HydrophobicContact CD-CD1 4.34Å; K298-I307 HydrophobicContact CG-CB 4.08Å; K298-I307 HydrophobicContact CG-CD1 3.9Å; K298-I307 HydrophobicContact CG-CG1 4.45Å; K298-I307 PolarHBondContact N-O 3.15Å; K298-I307 WeakPolarHBondContact O-CB 3.47Å; K298-I307 PolarHBondContact O-N 3.44Å |
| 299 | I | 82.5 | Confident | 74.6 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.5 | 167.2 | -59.2 | -65.5 | 0 | 0 | 0 | 108.1 | P301 F306 I335 | I299-P301 VanDerWaalsContact O-CD 3.27Å; I299-P301 WeakPolarHBondContact O-CD 3.33Å; I299-F306 HydrophobicContact CD1-CB 4.19Å; I299-F306 HydrophobicContact CD1-CD2 3.89Å; I299-I335 HydrophobicContact CD1-CD1 3.64Å |
| 300 | N | 81 | Confident | 76.7 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -65.8 | 118.4 | 173.1 | -175.5 | -40 | 0 | 0 | 0 | 108.8 | S302 S303 G304 S305 I307 | N300-S302 PolarHBondContact O-N 2.9Å; N300-S302 WeakPolarHBondContact OD1-CB 3.4Å; N300-S302 PolarHBondContact OD1-N 3.46Å; N300-S303 VanDerWaalsContact CB-OG 3.22Å; N300-S303 WeakPolarHBondContact CB-OG 3.28Å; N300-S303 PolarHBondContact ND2-OG 2.94Å; N300-S303 PolarHBondContact OD1-N 3.46Å; N300-G304 VanDerWaalsContact O-CA 3.3Å; N300-G304 WeakPolarHBondContact O-CA 3.39Å; N300-G304 PolarHBondContact O-N 3.07Å; N300-S305 WeakPolarHBondContact CB-O 3.42Å; N300-S305 PolarHBondContact N-O 3.22Å; N300-I307 HydrophobicContact CB-CD1 3.84Å; N300-I307 HydrophobicContact CB-CG1 4.15Å | ||
| 301 | P | 81 | Confident | 78.8 | Confident | 123 Ų | 123 | 46.3 Ų | 46.3 | 80% | 0.799 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.5 | -176.6 | -23.6 | 34.2 | 0 | 0 | 0 | 113.7 | I299 | I299-P301 VanDerWaalsContact O-CD 3.27Å; I299-P301 WeakPolarHBondContact O-CD 3.33Å |
| 302 | S | 82.3 | Confident | 80.7 | Confident | 117 Ų | 117 | 43.5 Ų | 43.5 | 82% | 0.818 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -44.2 | -174.4 | -43.5 | 0 | 0 | 0 | 0 | 112.5 | N300 | N300-S302 PolarHBondContact O-N 2.9Å; N300-S302 WeakPolarHBondContact OD1-CB 3.4Å; N300-S302 PolarHBondContact OD1-N 3.46Å |
| 303 | S | 85 | Confident | 82.6 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -15.9 | -176.3 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | N300 S305 | N300-S303 VanDerWaalsContact CB-OG 3.22Å; N300-S303 WeakPolarHBondContact CB-OG 3.28Å; N300-S303 PolarHBondContact ND2-OG 2.94Å; N300-S303 PolarHBondContact OD1-N 3.46Å; S303-S305 PolarHBondContact O-N 3.39Å; S303-S305 PolarHBondContact OG-N 2.87Å; S303-S305 PolarHBondContact OG-OG 2.91Å |
| 304 | G | 86.2 | Confident | 84.3 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | trans | 70.2 | -0.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N300 | N300-G304 VanDerWaalsContact O-CA 3.3Å; N300-G304 WeakPolarHBondContact O-CA 3.39Å; N300-G304 PolarHBondContact O-N 3.07Å | ||
| 305 | S | 88.2 | Confident | 85.7 | Confident | 17 Ų | 17 | 38.8 Ų | 38.8 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -76.3 | 150.6 | -178.7 | 63 | 0 | 0 | 0 | 0 | 111.9 | N300 S303 | N300-S305 WeakPolarHBondContact CB-O 3.42Å; N300-S305 PolarHBondContact N-O 3.22Å; S303-S305 PolarHBondContact O-N 3.39Å; S303-S305 PolarHBondContact OG-N 2.87Å; S303-S305 PolarHBondContact OG-OG 2.91Å |
| 306 | F | 90.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.4 | 177.5 | 179.9 | -99.5 | 0 | 0 | 0 | 111.2 | T290 L293 I299 H308 L328 I331 I335 G336 V337 K338 | T290-F306 WeakPolarHBondContact O-CE2 3.3Å; L293-F306 HydrophobicContact CB-CZ 3.99Å; L293-F306 HydrophobicContact CD1-CE1 4.18Å; L293-F306 HydrophobicContact CD1-CZ 3.84Å; I299-F306 HydrophobicContact CD1-CB 4.19Å; I299-F306 HydrophobicContact CD1-CD2 3.89Å; F306-H308 HydrophobicContact CD1-CB 4.32Å; F306-H308 HydrophobicContact CE1-CB 3.96Å; F306-L328 HydrophobicContact CD1-CD1 3.79Å; F306-L328 HydrophobicContact CE1-CD1 3.78Å; F306-I331 HydrophobicContact CB-CG2 3.49Å; F306-I331 VanDerWaalsContact CB-CG2 3.49Å; F306-I331 HydrophobicContact CD1-CG2 4.01Å; F306-I331 HydrophobicContact CD2-CG2 4.48Å; F306-I331 HydrophobicContact CG-CG2 3.76Å; F306-I335 HydrophobicContact CB-CD1 4.02Å; F306-G336 PolarHBondContact N-O 3.27Å; F306-V337 HydrophobicContact CB-CG1 4.08Å; F306-V337 HydrophobicContact CD1-CG1 4.17Å; F306-V337 CarbonylContact O-C 3.59Å; F306-V337 WeakPolarHBondContact O-CA 3.27Å; F306-V337 WeakPolarHBondContact O-CB 3.36Å; F306-K338 PolarHBondContact O-N 3.24Å |
| 307 | I | 88.4 | Confident | 88.5 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.6 | 176.8 | -65.2 | 170.6 | 0 | 0 | 0 | 109.1 | S297 K298 N300 K338 V340 | S297-I307 VanDerWaalsContact CA-O 3.22Å; S297-I307 WeakPolarHBondContact CA-O 3.42Å; S297-I307 WeakPolarHBondContact CB-O 3.42Å; K298-I307 HydrophobicContact CD-CD1 4.34Å; K298-I307 HydrophobicContact CG-CB 4.08Å; K298-I307 HydrophobicContact CG-CD1 3.9Å; K298-I307 HydrophobicContact CG-CG1 4.45Å; K298-I307 PolarHBondContact N-O 3.15Å; K298-I307 WeakPolarHBondContact O-CB 3.47Å; K298-I307 PolarHBondContact O-N 3.44Å; N300-I307 HydrophobicContact CB-CD1 3.84Å; N300-I307 HydrophobicContact CB-CG1 4.15Å; I307-K338 WeakPolarHBondContact CA-O 3.41Å; I307-K338 HydrophobicContact CG1-CB 4.34Å; I307-V340 HydrophobicContact CG2-CB 4.37Å; I307-V340 HydrophobicContact CG2-CG1 3.84Å; I307-V340 HydrophobicContact CG2-CG2 3.56Å |
| 308 | H | 90.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 167.6 | 172.9 | 68.8 | 99.5 | 0 | 0 | 0 | 111.7 | Y294 F306 L328 K338 L339 V340 D377 | Y294-H308 HydrophobicContact CD2-CB 3.92Å; Y294-H308 HydrophobicContact CE2-CB 4.41Å; F306-H308 HydrophobicContact CD1-CB 4.32Å; F306-H308 HydrophobicContact CE1-CB 3.96Å; H308-L328 HydrophobicContact CB-CD1 4.28Å; H308-K338 PolarHBondContact N-O 2.94Å; H308-L339 WeakPolarHBondContact O-CA 3.43Å; H308-V340 PolarHBondContact O-N 3.18Å; H308-D377 IonicContact CE1-OD1 2.97Å; H308-D377 PolarHBondContact CE1-OD1 2.84Å; H308-D377 IonicContact NE2-OD1 3.75Å; H308-D377 PolarHBondContact NE2-OD1 3.04Å |
| 309 | S | 90.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.119 | 24% | 0.238 | C | C | . | . | trans | -130.2 | 8.9 | -174.4 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | P295 F311 | P295-S309 PolarHBondContact O-OG 2.88Å; P295-S309 VanDerWaalsContact O-OG 3.08Å; S309-F311 WeakPolarHBondContact O-CD2 3.44Å; S309-F311 PolarHBondContact O-N 3.49Å | ||
| 310 | D | 92.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -81.2 | 110.1 | 176.5 | -179.5 | 23.6 | 0 | 0 | 0 | 111.7 | Y294 G312 R325 M380 | Y294-D310 HydrophobicContact CD1-CB 3.65Å; Y294-D310 HydrophobicContact CE1-CB 3.39Å; Y294-D310 WeakPolarHBondContact CE1-OD2 3.34Å; Y294-D310 HydrophobicContact CE2-CB 4.33Å; Y294-D310 HydrophobicContact CG-CB 4.23Å; Y294-D310 PolarHBondContact OH-OD2 2.86Å; D310-G312 VanDerWaalsContact C-N 3.27Å; D310-G312 PolarHBondContact O-N 3.25Å; D310-G312 WeakPolarHBondContact OD1-CA 3.49Å; D310-G312 PolarHBondContact OD1-N 2.92Å; D310-R325 IonicContact OD1-CZ 2.77Å; D310-R325 IonicContact OD1-NE 3.72Å; D310-R325 IonicContact OD1-NH2 3.61Å; D310-R325 PolarHBondContact OD1-NH2 3.42Å; D310-R325 VanDerWaalsContact OD2-CG 3.29Å; D310-R325 WeakPolarHBondContact OD2-CG 3.24Å; D310-R325 IonicContact OD2-CZ 2.57Å; D310-R325 IonicContact OD2-NE 2.8Å; D310-R325 PolarHBondContact OD2-NE 3.4Å; D310-R325 IonicContact OD2-NH2 3.52Å; D310-R325 PolarHBondContact OD2-NH2 3.15Å; D310-M380 WeakPolarHBondContact O-CE 3.31Å | ||
| 311 | F | 94.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | trans | -82.6 | 4.2 | 174.4 | -77.2 | -87.2 | 0 | 0 | 0 | 113.9 | C85 S309 N313 L339 L341 C375 M380 R385 | C85-F311 WeakPolarHBondContact SG-CE1 3.23Å; S309-F311 WeakPolarHBondContact O-CD2 3.44Å; S309-F311 PolarHBondContact O-N 3.49Å; F311-N313 PolarHBondContact O-N 3.33Å; F311-N313 PolarHBondContact O-OD1 3.44Å; F311-L339 HydrophobicContact CD1-CD1 4.49Å; F311-L339 HydrophobicContact CD1-CD2 3.95Å; F311-L339 HydrophobicContact CD2-CD1 4.33Å; F311-L339 HydrophobicContact CE1-CD1 4.19Å; F311-L339 HydrophobicContact CE1-CD2 3.51Å; F311-L339 HydrophobicContact CE1-CG 3.98Å; F311-L339 HydrophobicContact CE2-CD1 4.02Å; F311-L339 HydrophobicContact CE2-CG 4.47Å; F311-L339 HydrophobicContact CZ-CD1 3.95Å; F311-L339 HydrophobicContact CZ-CD2 3.97Å; F311-L339 HydrophobicContact CZ-CG 3.9Å; F311-L341 HydrophobicContact CE2-CD2 4.15Å; F311-L341 HydrophobicContact CZ-CD2 3.81Å; F311-C375 HydrophobicContact CE1-CB 3.95Å; F311-C375 HydrophobicContact CZ-CB 4.12Å; F311-M380 HydrophobicContact CD1-CG 4.45Å; F311-R385 PolarHBondContact O-NH2 3.1Å | ||
| 312 | G | 94.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 75.1 | 9.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D310 R316 R325 | D310-G312 VanDerWaalsContact C-N 3.27Å; D310-G312 PolarHBondContact O-N 3.25Å; D310-G312 WeakPolarHBondContact OD1-CA 3.49Å; D310-G312 PolarHBondContact OD1-N 2.92Å; G312-R316 VanDerWaalsContact O-CD 3.27Å; G312-R316 WeakPolarHBondContact O-CD 3.21Å; G312-R316 WeakPolarHBondContact O-CG 3.07Å; G312-R325 VanDerWaalsContact CA-NH2 3.34Å |
| 313 | N | 96.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | trans | -95.7 | -39.7 | -171.2 | -65.3 | -32.4 | 0 | 0 | 0 | 113.6 | G82 L204 Y207 F311 R316 R385 | G82-N313 PolarHBondContact O-ND2 2.64Å; L204-N313 HydrophobicContact CD2-CB 3.98Å; Y207-N313 WeakPolarHBondContact CD1-O 3.41Å; Y207-N313 HydrophobicContact CE1-CB 4.28Å; Y207-N313 WeakPolarHBondContact CE1-O 3.27Å; F311-N313 PolarHBondContact O-N 3.33Å; F311-N313 PolarHBondContact O-OD1 3.44Å; N313-R316 WeakPolarHBondContact O-CG 3.28Å; N313-R385 PolarHBondContact OD1-NE 3.42Å; N313-R385 VanDerWaalsContact OD1-NE 3.09Å | ||
| 314 | L | 95.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 143.1 | -176.7 | -61.9 | 177.4 | 0 | 0 | 0 | 111.9 | N210 D211 L214 I272 R316 R325 | N210-L314 WeakPolarHBondContact ND2-CD2 3.1Å; D211-L314 WeakPolarHBondContact OD1-CA 3.23Å; L214-L314 HydrophobicContact CD2-CD1 4.08Å; L214-L314 HydrophobicContact CD2-CD2 4.26Å; I272-L314 HydrophobicContact CD1-CD1 3.66Å; L314-R316 VanDerWaalsContact C-N 3.27Å; L314-R316 PolarHBondContact O-N 2.83Å; L314-R316 VanDerWaalsContact O-N 3.14Å; L314-R325 PolarHBondContact O-NH1 2.65Å; L314-R325 PolarHBondContact O-NH2 2.96Å |
| 315 | F | 96.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 44.8 | 171.6 | -60 | -83.2 | 0 | 0 | 0 | 114.1 | D211 L214 L215 T248 I259 L263 S317 N318 V321 | D211-F315 HydrophobicContact CB-CD1 3.91Å; D211-F315 HydrophobicContact CB-CE1 3.75Å; D211-F315 HydrophobicContact CB-CG 4.46Å; D211-F315 HydrophobicContact CB-CZ 4.14Å; D211-F315 VanDerWaalsContact CG-N 3.27Å; D211-F315 WeakPolarHBondContact O-CE1 3.4Å; D211-F315 VanDerWaalsContact O-CZ 3.23Å; D211-F315 WeakPolarHBondContact O-CZ 3.37Å; D211-F315 PolarHBondContact OD1-N 3.34Å; D211-F315 VanDerWaalsContact OD2-CA 3.24Å; D211-F315 WeakPolarHBondContact OD2-CA 3.38Å; D211-F315 PolarHBondContact OD2-N 3.02Å; D211-F315 VanDerWaalsContact OD2-N 3.11Å; L214-F315 HydrophobicContact CD2-CE2 3.84Å; L214-F315 HydrophobicContact CD2-CZ 4.32Å; L215-F315 HydrophobicContact CD1-CE1 4.07Å; L215-F315 HydrophobicContact CD1-CZ 4.42Å; L215-F315 HydrophobicContact CD2-CZ 4.24Å; L215-F315 HydrophobicContact CG-CE1 4.22Å; L215-F315 HydrophobicContact CG-CZ 4.06Å; T248-F315 HydrophobicContact CG2-CD1 4.17Å; T248-F315 HydrophobicContact CG2-CE1 4.33Å; I259-F315 HydrophobicContact CG2-CD1 3.53Å; I259-F315 HydrophobicContact CG2-CE1 3.57Å; I259-F315 HydrophobicContact CG2-CG 4.17Å; I259-F315 HydrophobicContact CG2-CZ 4.26Å; L263-F315 HydrophobicContact CD1-CB 4.25Å; L263-F315 HydrophobicContact CD1-CD1 4.28Å; L263-F315 HydrophobicContact CD1-CD2 3.2Å; L263-F315 HydrophobicContact CD1-CE1 4.47Å; L263-F315 HydrophobicContact CD1-CE2 3.48Å; L263-F315 VanDerWaalsContact CD1-CE2 3.48Å; L263-F315 HydrophobicContact CD1-CG 3.65Å; L263-F315 HydrophobicContact CD1-CZ 4.11Å; L263-F315 HydrophobicContact CD2-CD2 3.89Å; L263-F315 HydrophobicContact CD2-CE2 3.3Å; L263-F315 HydrophobicContact CD2-CZ 3.95Å; L263-F315 HydrophobicContact CG-CD2 4.15Å; L263-F315 HydrophobicContact CG-CE2 3.95Å; L263-F315 HydrophobicContact CG-CZ 4.49Å; F315-S317 PolarHBondContact O-N 2.76Å; F315-N318 HydrophobicContact CB-CB 4.03Å; F315-N318 WeakPolarHBondContact O-CB 3.48Å; F315-N318 PolarHBondContact O-N 2.83Å; F315-V321 HydrophobicContact CB-CG2 4.14Å |
| 316 | R | 94.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.3 | -174.6 | -68.5 | 175.6 | 65.3 | -164.8 | -0.1 | 114.3 | Y207 G312 N313 L314 Q322 R385 | Y207-R316 HydrophobicContact CD1-CG 4.37Å; Y207-R316 HydrophobicContact CE1-CG 4.38Å; Y207-R316 VanDerWaalsContact CZ-NH1 3.26Å; Y207-R316 PolarHBondContact OH-NH1 2.81Å; G312-R316 VanDerWaalsContact O-CD 3.27Å; G312-R316 WeakPolarHBondContact O-CD 3.21Å; G312-R316 WeakPolarHBondContact O-CG 3.07Å; N313-R316 WeakPolarHBondContact O-CG 3.28Å; L314-R316 VanDerWaalsContact C-N 3.27Å; L314-R316 PolarHBondContact O-N 2.83Å; L314-R316 VanDerWaalsContact O-N 3.14Å; R316-Q322 WeakPolarHBondContact O-CG 3.28Å; R316-Q322 PolarHBondContact O-NE2 3.31Å; R316-R385 VanDerWaalsContact CZ-CD 3.44Å |
| 317 | S | 93.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 43.8 Ų | 43.8 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | F315 K319 | F315-S317 PolarHBondContact O-N 2.76Å; S317-K319 PolarHBondContact O-N 2.82Å |
| 318 | N | 95.9 | Very high | 94 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | trans | -75 | 123.3 | 179.4 | -176.2 | -54.8 | 0 | 0 | 0 | 110.2 | Q256 F315 Y320 V321 Q322 | Q256-N318 PolarHBondContact O-ND2 3.14Å; F315-N318 HydrophobicContact CB-CB 4.03Å; F315-N318 WeakPolarHBondContact O-CB 3.48Å; F315-N318 PolarHBondContact O-N 2.83Å; N318-Y320 VanDerWaalsContact C-N 3.32Å; N318-Y320 PolarHBondContact O-N 3.26Å; N318-Y320 WeakPolarHBondContact OD1-CB 3.37Å; N318-Y320 PolarHBondContact OD1-N 2.9Å; N318-V321 HydrophobicContact CB-CB 4.14Å; N318-V321 HydrophobicContact CB-CG2 3.9Å; N318-V321 PolarHBondContact O-N 3.03Å; N318-V321 PolarHBondContact OD1-N 3.29Å; N318-Q322 WeakPolarHBondContact O-CG 3.27Å; N318-Q322 PolarHBondContact O-N 3.06Å | ||
| 319 | K | 95.4 | Very high | 94 | Very high | 85 Ų | 85 | 48 Ų | 48 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | -30 | -174.5 | 73.7 | -171.5 | -167.2 | 151.8 | 0 | 114.9 | D253 S317 K323 | D253-K319 WeakPolarHBondContact OD1-CE 3.44Å; D253-K319 IonicContact OD1-NZ 3.8Å; D253-K319 PolarHBondContact OD1-NZ 2.93Å; S317-K319 PolarHBondContact O-N 2.82Å; K319-K323 WeakPolarHBondContact O-CB 3.44Å; K319-K323 PolarHBondContact O-N 3.2Å |
| 320 | Y | 94.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.3 | -38.8 | 178.2 | -62.8 | -86.7 | 0 | 0 | 0 | 110.4 | D253 Q256 H257 D260 N318 K323 K324 | D253-Y320 PolarHBondContact OD1-OH 3.36Å; D253-Y320 VanDerWaalsContact OD1-OH 3.08Å; Q256-Y320 HydrophobicContact CB-CD2 4.03Å; Q256-Y320 HydrophobicContact CB-CE2 3.94Å; H257-Y320 VanDerWaalsContact CA-CE2 3.46Å; H257-Y320 HydrophobicContact CB-CD2 4.47Å; H257-Y320 HydrophobicContact CB-CE2 3.69Å; H257-Y320 AromaticContact CD2-CZ 3.96Å; H257-Y320 VanDerWaalsContact N-CE2 3.31Å; D260-Y320 HydrophobicContact CB-CD2 4.35Å; D260-Y320 HydrophobicContact CB-CG 4.2Å; N318-Y320 VanDerWaalsContact C-N 3.32Å; N318-Y320 PolarHBondContact O-N 3.26Å; N318-Y320 WeakPolarHBondContact OD1-CB 3.37Å; N318-Y320 PolarHBondContact OD1-N 2.9Å; Y320-K323 PolarHBondContact O-N 3.29Å; Y320-K324 WeakPolarHBondContact O-CG 3.44Å; Y320-K324 PolarHBondContact O-N 2.87Å; Y320-K324 VanDerWaalsContact O-N 3.11Å |
| 321 | V | 94 | Very high | 94 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 172 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | F315 N318 K323 K324 R325 | F315-V321 HydrophobicContact CB-CG2 4.14Å; N318-V321 HydrophobicContact CB-CB 4.14Å; N318-V321 HydrophobicContact CB-CG2 3.9Å; N318-V321 PolarHBondContact O-N 3.03Å; N318-V321 PolarHBondContact OD1-N 3.29Å; V321-K323 PolarHBondContact O-N 3.29Å; V321-K324 WeakPolarHBondContact O-CB 3.23Å; V321-K324 PolarHBondContact O-N 2.97Å; V321-R325 PolarHBondContact O-N 2.93Å; V321-R325 VanDerWaalsContact O-N 3.09Å |
| 322 | Q | 94.8 | Very high | 94 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.4 | -71.7 | 173.7 | -7.8 | 0 | 0 | 112 | R316 N318 K324 R325 E326 | R316-Q322 WeakPolarHBondContact O-CG 3.28Å; R316-Q322 PolarHBondContact O-NE2 3.31Å; N318-Q322 WeakPolarHBondContact O-CG 3.27Å; N318-Q322 PolarHBondContact O-N 3.06Å; Q322-K324 VanDerWaalsContact C-N 3.3Å; Q322-K324 PolarHBondContact O-N 2.69Å; Q322-R325 WeakPolarHBondContact O-CA 3.44Å; Q322-R325 WeakPolarHBondContact O-CB 3.37Å; Q322-R325 PolarHBondContact O-N 3.44Å; Q322-E326 WeakPolarHBondContact O-CG 3.36Å; Q322-E326 PolarHBondContact O-N 3.39Å |
| 323 | K | 94.3 | Very high | 93.8 | Very high | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.3 | -36.7 | 176.8 | -173 | 177.2 | -179.3 | 178.7 | 0 | 112.9 | K319 Y320 V321 E326 K327 | K319-K323 WeakPolarHBondContact O-CB 3.44Å; K319-K323 PolarHBondContact O-N 3.2Å; Y320-K323 PolarHBondContact O-N 3.29Å; V321-K323 PolarHBondContact O-N 3.29Å; K323-E326 PolarHBondContact O-N 2.9Å; K323-K327 PolarHBondContact O-N 3.22Å; K323-K327 VanDerWaalsContact O-N 3.09Å |
| 324 | K | 92.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 173.5 | -70.3 | 174.7 | 175.4 | -134.6 | 0 | 111.7 | N264 L293 Y294 Y320 V321 Q322 K327 L328 | N264-K324 WeakPolarHBondContact ND2-CE 3.43Å; N264-K324 PolarHBondContact ND2-NZ 3.34Å; N264-K324 PolarHBondContact OD1-NZ 3.42Å; L293-K324 HydrophobicContact CD2-CB 4.23Å; L293-K324 HydrophobicContact CD2-CG 4.3Å; L293-K324 WeakPolarHBondContact O-CD 3.21Å; L293-K324 PolarHBondContact O-NZ 3.33Å; L293-K324 VanDerWaalsContact O-NZ 3.08Å; Y294-K324 HydrophobicContact CE1-CB 4.29Å; Y294-K324 PolarHBondContact OH-O 3.36Å; Y320-K324 WeakPolarHBondContact O-CG 3.44Å; Y320-K324 PolarHBondContact O-N 2.87Å; Y320-K324 VanDerWaalsContact O-N 3.11Å; V321-K324 WeakPolarHBondContact O-CB 3.23Å; V321-K324 PolarHBondContact O-N 2.97Å; Q322-K324 VanDerWaalsContact C-N 3.3Å; Q322-K324 PolarHBondContact O-N 2.69Å; K324-K327 PolarHBondContact O-N 2.74Å; K324-L328 PolarHBondContact O-N 2.64Å |
| 325 | R | 93.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 71.6 Ų | 71.6 | 14% | 0.143 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.6 | -70.3 | 172.4 | 175.7 | 151.6 | 4.5 | 112.3 | Y294 D310 G312 L314 V321 Q322 L328 M329 | Y294-R325 WeakPolarHBondContact OH-CA 3.12Å; Y294-R325 PolarHBondContact OH-N 3.41Å; D310-R325 IonicContact OD1-CZ 2.77Å; D310-R325 IonicContact OD1-NE 3.72Å; D310-R325 IonicContact OD1-NH2 3.61Å; D310-R325 PolarHBondContact OD1-NH2 3.42Å; D310-R325 VanDerWaalsContact OD2-CG 3.29Å; D310-R325 WeakPolarHBondContact OD2-CG 3.24Å; D310-R325 IonicContact OD2-CZ 2.57Å; D310-R325 IonicContact OD2-NE 2.8Å; D310-R325 PolarHBondContact OD2-NE 3.4Å; D310-R325 IonicContact OD2-NH2 3.52Å; D310-R325 PolarHBondContact OD2-NH2 3.15Å; G312-R325 VanDerWaalsContact CA-NH2 3.34Å; L314-R325 PolarHBondContact O-NH1 2.65Å; L314-R325 PolarHBondContact O-NH2 2.96Å; V321-R325 PolarHBondContact O-N 2.93Å; V321-R325 VanDerWaalsContact O-N 3.09Å; Q322-R325 WeakPolarHBondContact O-CA 3.44Å; Q322-R325 WeakPolarHBondContact O-CB 3.37Å; Q322-R325 PolarHBondContact O-N 3.44Å; R325-L328 WeakPolarHBondContact O-CB 3.35Å; R325-L328 PolarHBondContact O-N 3.48Å; R325-M329 WeakPolarHBondContact O-CG 3.4Å; R325-M329 PolarHBondContact O-N 3.33Å |
| 326 | E | 94 | Very high | 92.9 | Very high | 106 Ų | 106 | 72.8 Ų | 72.8 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 171.3 | -70.5 | 169.6 | -179.6 | 0 | 0 | 112 | Q322 K323 L328 M329 Q330 | Q322-E326 WeakPolarHBondContact O-CG 3.36Å; Q322-E326 PolarHBondContact O-N 3.39Å; K323-E326 PolarHBondContact O-N 2.9Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.9Å; E326-M329 HydrophobicContact CG-CE 4.35Å; E326-M329 WeakPolarHBondContact O-CB 3.36Å; E326-M329 PolarHBondContact O-N 3.27Å; E326-Q330 WeakPolarHBondContact O-CG 3.34Å; E326-Q330 PolarHBondContact O-N 3.12Å; E326-Q330 VanDerWaalsContact O-N 3.16Å |
| 327 | K | 92.8 | Very high | 92.8 | Very high | 87 Ų | 87 | 71.1 Ų | 71.1 | 38% | 0.378 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 175.7 | -176.1 | 172.8 | 167 | -165.6 | 0 | 112 | L293 K323 K324 Q330 I331 | L293-K327 HydrophobicContact CD1-CD 4.18Å; L293-K327 HydrophobicContact CD1-CG 4.07Å; L293-K327 HydrophobicContact CD2-CB 4.09Å; L293-K327 HydrophobicContact CD2-CD 3.72Å; L293-K327 HydrophobicContact CD2-CG 4.04Å; L293-K327 HydrophobicContact CG-CD 4.25Å; K323-K327 PolarHBondContact O-N 3.22Å; K323-K327 VanDerWaalsContact O-N 3.09Å; K324-K327 PolarHBondContact O-N 2.74Å; K327-Q330 PolarHBondContact O-N 2.99Å; K327-I331 HydrophobicContact CG-CD1 4.35Å; K327-I331 WeakPolarHBondContact O-CG1 3.22Å; K327-I331 PolarHBondContact O-N 3.46Å |
| 328 | L | 92.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 173.5 | 179.2 | 63.7 | 0 | 0 | 0 | 111.6 | Y294 F306 H308 K324 R325 E326 Q330 I331 R332 V337 | Y294-L328 HydrophobicContact CE2-CB 4.1Å; Y294-L328 HydrophobicContact CE2-CD1 4.24Å; Y294-L328 HydrophobicContact CE2-CD2 3.81Å; Y294-L328 HydrophobicContact CE2-CG 4.27Å; F306-L328 HydrophobicContact CD1-CD1 3.79Å; F306-L328 HydrophobicContact CE1-CD1 3.78Å; H308-L328 HydrophobicContact CB-CD1 4.28Å; K324-L328 PolarHBondContact O-N 2.64Å; R325-L328 WeakPolarHBondContact O-CB 3.35Å; R325-L328 PolarHBondContact O-N 3.48Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 2.9Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3Å; L328-I331 PolarHBondContact O-N 2.85Å; L328-I331 VanDerWaalsContact O-N 3.12Å; L328-R332 PolarHBondContact O-N 3.28Å; L328-V337 HydrophobicContact CD1-CG1 3.93Å |
| 329 | M | 91.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 47% | 0.473 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 175 | -72.2 | -173.8 | -90.4 | 0 | 0 | 111.7 | R325 E326 I331 R332 E333 | R325-M329 WeakPolarHBondContact O-CG 3.4Å; R325-M329 PolarHBondContact O-N 3.33Å; E326-M329 HydrophobicContact CG-CE 4.35Å; E326-M329 WeakPolarHBondContact O-CB 3.36Å; E326-M329 PolarHBondContact O-N 3.27Å; M329-I331 VanDerWaalsContact C-N 3.29Å; M329-I331 PolarHBondContact O-N 3.46Å; M329-R332 WeakPolarHBondContact O-CB 3.36Å; M329-R332 PolarHBondContact O-N 3.09Å; M329-E333 PolarHBondContact O-N 3.2Å |
| 330 | Q | 92.4 | Very high | 92.3 | Very high | 110 Ų | 110 | 67 Ų | 67 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 175.2 | -65.2 | 172.1 | 7.3 | 0 | 0 | 113.2 | E326 K327 L328 K334 | E326-Q330 WeakPolarHBondContact O-CG 3.34Å; E326-Q330 PolarHBondContact O-N 3.12Å; E326-Q330 VanDerWaalsContact O-N 3.16Å; K327-Q330 PolarHBondContact O-N 2.99Å; L328-Q330 VanDerWaalsContact C-N 3.32Å; L328-Q330 PolarHBondContact O-N 3Å; Q330-K334 WeakPolarHBondContact O-CG 3.36Å; Q330-K334 PolarHBondContact O-N 3.42Å |
| 331 | I | 91.2 | Very high | 92 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 176.6 | -70.8 | 169.1 | 0 | 0 | 0 | 110.7 | L293 F306 K327 L328 M329 E333 K334 I335 V337 | L293-I331 HydrophobicContact CD1-CD1 3.22Å; F306-I331 HydrophobicContact CB-CG2 3.49Å; F306-I331 VanDerWaalsContact CB-CG2 3.49Å; F306-I331 HydrophobicContact CD1-CG2 4.01Å; F306-I331 HydrophobicContact CD2-CG2 4.48Å; F306-I331 HydrophobicContact CG-CG2 3.76Å; K327-I331 HydrophobicContact CG-CD1 4.35Å; K327-I331 WeakPolarHBondContact O-CG1 3.22Å; K327-I331 PolarHBondContact O-N 3.46Å; L328-I331 PolarHBondContact O-N 2.85Å; L328-I331 VanDerWaalsContact O-N 3.12Å; M329-I331 VanDerWaalsContact C-N 3.29Å; M329-I331 PolarHBondContact O-N 3.46Å; I331-E333 VanDerWaalsContact C-N 3.27Å; I331-E333 PolarHBondContact O-N 2.63Å; I331-K334 PolarHBondContact O-N 2.87Å; I331-I335 HydrophobicContact CG2-CD1 3.97Å; I331-I335 HydrophobicContact CG2-CG1 3.81Å; I331-I335 PolarHBondContact O-N 2.63Å; I331-V337 HydrophobicContact CG2-CG1 4.07Å |
| 332 | R | 92.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 64.5 Ų | 64.5 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -52.2 | -46 | 175.3 | 176 | 177.6 | -62.5 | 125.4 | -0.8 | 111.5 | L328 M329 K334 G336 V337 D377 A381 | L328-R332 PolarHBondContact O-N 3.28Å; M329-R332 WeakPolarHBondContact O-CB 3.36Å; M329-R332 PolarHBondContact O-N 3.09Å; R332-K334 VanDerWaalsContact C-N 3.32Å; R332-K334 PolarHBondContact O-N 2.95Å; R332-G336 WeakPolarHBondContact O-CA 3.34Å; R332-G336 PolarHBondContact O-N 3.43Å; R332-G336 VanDerWaalsContact O-N 3.16Å; R332-V337 HydrophobicContact CB-CG1 3.98Å; R332-V337 HydrophobicContact CB-CG2 3.89Å; R332-V337 HydrophobicContact CG-CG2 3.8Å; R332-D377 IonicContact CZ-OD1 3.77Å; R332-D377 IonicContact CZ-OD2 3.23Å; R332-D377 VanDerWaalsContact CZ-OD2 3.23Å; R332-D377 IonicContact NE-OD2 2.73Å; R332-D377 PolarHBondContact NE-OD2 3.34Å; R332-D377 VanDerWaalsContact NH2-CG 3.26Å; R332-D377 IonicContact NH2-OD1 3.29Å; R332-D377 PolarHBondContact NH2-OD1 3.28Å; R332-D377 IonicContact NH2-OD2 3.94Å; R332-D377 PolarHBondContact NH2-OD2 2.67Å; R332-A381 VanDerWaalsContact CZ-CB 3.46Å |
| 333 | E | 90.9 | Very high | 90.9 | Very high | 169 Ų | 169 | 61.9 Ų | 61.9 | 79% | 0.79 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.8 | -28.7 | 178.1 | -68.8 | 176.5 | 174.7 | 0 | 0 | 113.9 | M329 I331 | M329-E333 PolarHBondContact O-N 3.2Å; I331-E333 VanDerWaalsContact C-N 3.27Å; I331-E333 PolarHBondContact O-N 2.63Å |
| 334 | K | 91 | Very high | 90.4 | Very high | 169 Ų | 169 | 57.2 Ų | 57.2 | 74% | 0.735 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -90 | -46.3 | -172.8 | -75.3 | 178.9 | -179.5 | -179.2 | 0 | 114.4 | Q330 I331 R332 | Q330-K334 WeakPolarHBondContact O-CG 3.36Å; Q330-K334 PolarHBondContact O-N 3.42Å; I331-K334 PolarHBondContact O-N 2.87Å; R332-K334 VanDerWaalsContact C-N 3.32Å; R332-K334 PolarHBondContact O-N 2.95Å |
| 335 | I | 90 | Very high | 89.8 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 43% | 0.431 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -131.1 | 1 | -171.3 | 59.9 | 168.2 | 0 | 0 | 0 | 113.2 | I299 F306 I331 | I299-I335 HydrophobicContact CD1-CD1 3.64Å; F306-I335 HydrophobicContact CB-CD1 4.02Å; I331-I335 HydrophobicContact CG2-CD1 3.97Å; I331-I335 HydrophobicContact CG2-CG1 3.81Å; I331-I335 PolarHBondContact O-N 2.63Å |
| 336 | G | 90.3 | Very high | 89.2 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | trans | 71.5 | 162.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F306 R332 | F306-G336 PolarHBondContact N-O 3.27Å; R332-G336 WeakPolarHBondContact O-CA 3.34Å; R332-G336 PolarHBondContact O-N 3.43Å; R332-G336 VanDerWaalsContact O-N 3.16Å | ||
| 337 | V | 92.3 | Very high | 88.6 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.4 | -179.6 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | F306 L328 I331 R332 D377 | F306-V337 HydrophobicContact CB-CG1 4.08Å; F306-V337 HydrophobicContact CD1-CG1 4.17Å; F306-V337 CarbonylContact O-C 3.59Å; F306-V337 WeakPolarHBondContact O-CA 3.27Å; F306-V337 WeakPolarHBondContact O-CB 3.36Å; L328-V337 HydrophobicContact CD1-CG1 3.93Å; I331-V337 HydrophobicContact CG2-CG1 4.07Å; R332-V337 HydrophobicContact CB-CG1 3.98Å; R332-V337 HydrophobicContact CB-CG2 3.89Å; R332-V337 HydrophobicContact CG-CG2 3.8Å; V337-D377 HydrophobicContact CG2-CB 4.43Å; V337-D377 WeakPolarHBondContact CG2-OD2 3.15Å |
| 338 | K | 90.2 | Very high | 88.2 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 22% | 0.222 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 123.5 | 167.7 | -175.2 | -169.3 | 175.7 | -150.4 | 0 | 108.5 | F306 I307 H308 V340 D346 | F306-K338 PolarHBondContact O-N 3.24Å; I307-K338 WeakPolarHBondContact CA-O 3.41Å; I307-K338 HydrophobicContact CG1-CB 4.34Å; H308-K338 PolarHBondContact N-O 2.94Å; K338-V340 HydrophobicContact CD-CG1 3.97Å; K338-V340 HydrophobicContact CG-CG1 4.2Å; K338-D346 IonicContact NZ-OD1 3.12Å; K338-D346 PolarHBondContact NZ-OD1 3.15Å; K338-D346 IonicContact NZ-OD2 2.96Å; K338-D346 PolarHBondContact NZ-OD2 3.19Å |
| 339 | L | 92.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.1 | 168 | -178.7 | 61.5 | 0 | 0 | 0 | 109.3 | H308 F311 C375 D377 M380 | H308-L339 WeakPolarHBondContact O-CA 3.43Å; F311-L339 HydrophobicContact CD1-CD1 4.49Å; F311-L339 HydrophobicContact CD1-CD2 3.95Å; F311-L339 HydrophobicContact CD2-CD1 4.33Å; F311-L339 HydrophobicContact CE1-CD1 4.19Å; F311-L339 HydrophobicContact CE1-CD2 3.51Å; F311-L339 HydrophobicContact CE1-CG 3.98Å; F311-L339 HydrophobicContact CE2-CD1 4.02Å; F311-L339 HydrophobicContact CE2-CG 4.47Å; F311-L339 HydrophobicContact CZ-CD1 3.95Å; F311-L339 HydrophobicContact CZ-CD2 3.97Å; F311-L339 HydrophobicContact CZ-CG 3.9Å; L339-C375 HydrophobicContact CD2-CB 3.97Å; L339-C375 HydrophobicContact CG-CB 4.23Å; L339-D377 HydrophobicContact CB-CB 3.74Å; L339-M380 HydrophobicContact CD1-CE 4.45Å; L339-M380 HydrophobicContact CD2-CB 3.82Å; L339-M380 HydrophobicContact CD2-CE 4.12Å; L339-M380 HydrophobicContact CD2-CG 3.93Å |
| 340 | V | 89.9 | Confident | 88.1 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | trans | -131.3 | 154.3 | 175.2 | -60 | 0 | 0 | 0 | 0 | 109.9 | I307 H308 K338 | I307-V340 HydrophobicContact CG2-CB 4.37Å; I307-V340 HydrophobicContact CG2-CG1 3.84Å; I307-V340 HydrophobicContact CG2-CG2 3.56Å; H308-V340 PolarHBondContact O-N 3.18Å; K338-V340 HydrophobicContact CD-CG1 3.97Å; K338-V340 HydrophobicContact CG-CG1 4.2Å | ||
| 341 | L | 88.5 | Confident | 88 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | trans | -68.7 | 123.9 | 168 | -69.3 | 175.5 | 0 | 0 | 0 | 109 | E89 Y273 F311 C343 D344 E374 | E89-L341 WeakPolarHBondContact OE1-CD1 3.27Å; Y273-L341 HydrophobicContact CE2-CB 4.27Å; Y273-L341 HydrophobicContact CE2-CD2 4.07Å; F311-L341 HydrophobicContact CE2-CD2 4.15Å; F311-L341 HydrophobicContact CZ-CD2 3.81Å; L341-C343 PolarHBondContact O-N 3.47Å; L341-D344 HydrophobicContact CB-CB 3.7Å; L341-D344 HydrophobicContact CD1-CB 4.41Å; L341-D344 PolarHBondContact O-N 2.03Å; L341-E374 HydrophobicContact CD1-CG 3.71Å; L341-E374 HydrophobicContact CG-CG 4.25Å | ||
| 342 | P | 82.9 | Confident | 88 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 133.8 | 176.3 | 23.1 | -32.2 | 0 | 0 | 0 | 110.4 | I272 Y273 F296 D344 | I272-P342 HydrophobicContact CG2-CB 4.23Å; I272-P342 HydrophobicContact CG2-CG 3.61Å; Y273-P342 HydrophobicContact CD2-CG 4.21Å; Y273-P342 WeakPolarHBondContact CD2-O 3.21Å; Y273-P342 VanDerWaalsContact CE2-CD 3.49Å; Y273-P342 HydrophobicContact CE2-CG 3.57Å; F296-P342 HydrophobicContact CD2-CB 4.05Å; F296-P342 HydrophobicContact CE2-CB 4.23Å; P342-D344 PolarHBondContact O-N 3.29Å |
| 343 | C | 84.1 | Confident | 88.1 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 14.9 | 175.2 | -48.3 | 0 | 0 | 0 | 0 | 115.8 | N271 C279 F296 L341 | N271-C343 WeakPolarHBondContact CA-SG 3.32Å; N271-C343 HydrophobicContact CB-CB 3.74Å; N271-C343 WeakPolarHBondContact ND2-CB 3.38Å; C279-C343 HydrophobicContact CB-CB 3.67Å; C279-C343 WeakPolarHBondContact CB-SG 3.35Å; C279-C343 WeakPolarHBondContact SG-CA 3.31Å; C279-C343 WeakPolarHBondContact SG-CB 3.32Å; C279-C343 CovalentContact SG-SG 2Å; C279-C343 PolarHBondContact SG-SG 3.33Å; F296-C343 VanDerWaalsContact CZ-SG 3.6Å; L341-C343 PolarHBondContact O-N 3.47Å |
| 344 | D | 83.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -122.6 | 146.7 | -179.6 | -156.1 | -73.8 | 0 | 0 | 0 | 110.8 | L341 P342 D346 R477 | L341-D344 HydrophobicContact CB-CB 3.7Å; L341-D344 HydrophobicContact CD1-CB 4.41Å; L341-D344 PolarHBondContact O-N 2.03Å; P342-D344 PolarHBondContact O-N 3.29Å; D344-D346 PolarHBondContact O-N 3.42Å; D344-R477 IonicContact OD1-NH1 3.91Å; D344-R477 IonicContact OD2-CZ 2.97Å; D344-R477 IonicContact OD2-NH1 2.76Å; D344-R477 PolarHBondContact OD2-NH1 2.82Å |
| 345 | D | 80.2 | Confident | 88.2 | Confident | 85 Ų | 85 | 38.8 Ų | 38.8 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | trans | -91.8 | 76.4 | 176.7 | -169.3 | 5.5 | 0 | 0 | 0 | 110.6 | L347 I348 | D345-L347 PolarHBondContact O-N 3.18Å; D345-L347 VanDerWaalsContact OD1-CB 3.26Å; D345-L347 WeakPolarHBondContact OD1-CB 3.49Å; D345-L347 PolarHBondContact OD1-N 3.44Å; D345-I348 HydrophobicContact CB-CD1 4.06Å; D345-I348 HydrophobicContact CB-CG1 4.16Å; D345-I348 PolarHBondContact O-N 3.04Å; D345-I348 VanDerWaalsContact O-N 3.12Å | ||
| 346 | D | 79.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.064 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -13.4 | 176.7 | 79.1 | -20.1 | 0 | 0 | 0 | 113.8 | K338 D344 I348 S350 E374 | K338-D346 IonicContact NZ-OD1 3.12Å; K338-D346 PolarHBondContact NZ-OD1 3.15Å; K338-D346 IonicContact NZ-OD2 2.96Å; K338-D346 PolarHBondContact NZ-OD2 3.19Å; D344-D346 PolarHBondContact O-N 3.42Å; D346-I348 VanDerWaalsContact C-N 3.34Å; D346-S350 VanDerWaalsContact O-CB 3.29Å; D346-S350 WeakPolarHBondContact O-CB 3.47Å; D346-S350 PolarHBondContact O-N 3.42Å; D346-E374 HydrophobicContact CB-CB 3.97Å; D346-E374 HydrophobicContact CB-CG 4.29Å |
| 347 | L | 82.5 | Confident | 88.3 | Confident | 70 Ų | 70 | 46 Ų | 46 | 37% | 0.366 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -76 | -22.3 | 179.7 | -57.5 | 177 | 0 | 0 | 0 | 112.7 | D345 K351 | D345-L347 PolarHBondContact O-N 3.18Å; D345-L347 VanDerWaalsContact OD1-CB 3.26Å; D345-L347 WeakPolarHBondContact OD1-CB 3.49Å; D345-L347 PolarHBondContact OD1-N 3.44Å; L347-K351 WeakPolarHBondContact O-CB 3.32Å; L347-K351 WeakPolarHBondContact O-CD 3.3Å; L347-K351 WeakPolarHBondContact O-CG 3.45Å; L347-K351 PolarHBondContact O-N 3.18Å |
| 348 | I | 85.2 | Confident | 88.3 | Confident | 42 Ų | 42 | 44.9 Ų | 44.9 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -57.4 | -177.8 | -59.2 | 177.8 | 0 | 0 | 0 | 108.7 | M100 D345 D346 S350 K351 Y352 | M100-I348 HydrophobicContact CB-CG2 3.92Å; M100-I348 VanDerWaalsContact CE-C 3.45Å; M100-I348 HydrophobicContact CE-CG2 3.81Å; M100-I348 WeakPolarHBondContact CE-O 3.46Å; D345-I348 HydrophobicContact CB-CD1 4.06Å; D345-I348 HydrophobicContact CB-CG1 4.16Å; D345-I348 PolarHBondContact O-N 3.04Å; D345-I348 VanDerWaalsContact O-N 3.12Å; D346-I348 VanDerWaalsContact C-N 3.34Å; I348-S350 PolarHBondContact O-N 3.43Å; I348-K351 PolarHBondContact O-N 2.74Å; I348-Y352 PolarHBondContact O-N 2.94Å |
| 349 | V | 90.7 | Very high | 88.5 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | F92 T93 M100 K351 Y352 L353 W372 | F92-V349 HydrophobicContact CB-CG1 4.42Å; F92-V349 HydrophobicContact CB-CG2 4.3Å; F92-V349 HydrophobicContact CD2-CG1 4.16Å; T93-V349 HydrophobicContact CG2-CG2 3.54Å; M100-V349 HydrophobicContact CE-CB 4.32Å; M100-V349 HydrophobicContact CE-CG2 4.27Å; V349-K351 PolarHBondContact O-N 2.9Å; V349-Y352 PolarHBondContact O-N 3.23Å; V349-L353 HydrophobicContact CG1-CD1 3.71Å; V349-L353 HydrophobicContact CG1-CG 4.23Å; V349-L353 PolarHBondContact O-N 3.36Å; V349-W372 HydrophobicContact CB-CH2 3.95Å; V349-W372 HydrophobicContact CB-CZ3 4.08Å; V349-W372 HydrophobicContact CG1-CH2 3.37Å; V349-W372 HydrophobicContact CG1-CZ2 4.08Å; V349-W372 HydrophobicContact CG1-CZ3 3.82Å |
| 350 | S | 90.9 | Very high | 88.5 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | -178.9 | -178.9 | 0 | 0 | 0 | 0 | 113.8 | D346 I348 N354 W372 | D346-S350 VanDerWaalsContact O-CB 3.29Å; D346-S350 WeakPolarHBondContact O-CB 3.47Å; D346-S350 PolarHBondContact O-N 3.42Å; I348-S350 PolarHBondContact O-N 3.43Å; S350-N354 VanDerWaalsContact O-CB 3.32Å; S350-N354 WeakPolarHBondContact O-CB 3.34Å; S350-N354 PolarHBondContact O-N 3.25Å; S350-N354 VanDerWaalsContact O-N 3.13Å; S350-N354 PolarHBondContact O-ND2 3.09Å; S350-N354 PolarHBondContact OG-ND2 3.31Å; S350-W372 VanDerWaalsContact CA-CE3 3.45Å; S350-W372 VanDerWaalsContact CA-CZ3 3.41Å; S350-W372 PolarHBondContact OG-O 3.05Å |
| 351 | K | 90.2 | Very high | 88.6 | Confident | 126 Ų | 126 | 50.7 Ų | 50.7 | 55% | 0.548 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.2 | -77.9 | 170.6 | -178.3 | 168.5 | 0 | 111.3 | L347 I348 V349 N354 Y355 | L347-K351 WeakPolarHBondContact O-CB 3.32Å; L347-K351 WeakPolarHBondContact O-CD 3.3Å; L347-K351 WeakPolarHBondContact O-CG 3.45Å; L347-K351 PolarHBondContact O-N 3.18Å; I348-K351 PolarHBondContact O-N 2.74Å; V349-K351 PolarHBondContact O-N 2.9Å; K351-N354 PolarHBondContact O-N 2.69Å; K351-Y355 WeakPolarHBondContact O-CD2 3.45Å; K351-Y355 PolarHBondContact O-N 3.29Å |
| 352 | Y | 91.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -53 | -179.2 | 178.5 | -104 | 0 | 0 | 0 | 112.1 | L34 P35 F92 M100 L106 I348 V349 N354 Y355 V358 | L34-Y352 WeakPolarHBondContact CD2-OH 3.5Å; L34-Y352 WeakPolarHBondContact CG-OH 3.49Å; P35-Y352 VanDerWaalsContact O-CE2 3.29Å; P35-Y352 WeakPolarHBondContact O-CE2 3.47Å; P35-Y352 PolarHBondContact O-OH 2.94Å; F92-Y352 HydrophobicContact CE1-CD1 4.28Å; F92-Y352 AromaticContact CE1-CE1 3.78Å; F92-Y352 HydrophobicContact CE1-CE1 3.78Å; F92-Y352 HydrophobicContact CZ-CD1 4.27Å; F92-Y352 AromaticContact CZ-CE1 3.81Å; F92-Y352 HydrophobicContact CZ-CE1 3.81Å; M100-Y352 HydrophobicContact CE-CD1 4.13Å; M100-Y352 HydrophobicContact CE-CG 3.77Å; M100-Y352 HydrophobicContact SD-CD1 4.18Å; M100-Y352 HydrophobicContact SD-CD2 4.26Å; M100-Y352 HydrophobicContact SD-CG 3.85Å; L106-Y352 HydrophobicContact CD1-CE1 4.22Å; L106-Y352 HydrophobicContact CD1-CE2 4.13Å; L106-Y352 VanDerWaalsContact CD1-OH 3.31Å; L106-Y352 WeakPolarHBondContact CD1-OH 3.16Å; I348-Y352 PolarHBondContact O-N 2.94Å; V349-Y352 PolarHBondContact O-N 3.23Å; Y352-N354 PolarHBondContact O-N 3.14Å; Y352-Y355 PolarHBondContact O-N 3.11Å; Y352-Y355 VanDerWaalsContact O-N 3.1Å; Y352-V358 HydrophobicContact CD1-CG1 4.23Å; Y352-V358 HydrophobicContact CD2-CG2 4.11Å; Y352-V358 HydrophobicContact CE1-CG1 3.78Å; Y352-V358 HydrophobicContact CE1-CG2 4.18Å; Y352-V358 HydrophobicContact CE2-CG2 3.68Å; Y352-V358 WeakPolarHBondContact O-CB 3.25Å; Y352-V358 WeakPolarHBondContact O-CG2 3.37Å |
| 353 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.7 | -20.9 | -177.2 | -72.2 | -179.2 | 0 | 0 | 0 | 113.6 | W62 M88 F92 F130 V349 V358 R359 I362 W372 | W62-L353 HydrophobicContact CZ3-CD2 4.34Å; M88-L353 HydrophobicContact CB-CD1 3.82Å; M88-L353 HydrophobicContact CG-CD1 4.09Å; F92-L353 HydrophobicContact CD2-CD1 4.46Å; F92-L353 HydrophobicContact CE2-CD1 4.24Å; F92-L353 HydrophobicContact CE2-CD2 3.71Å; F92-L353 HydrophobicContact CE2-CG 4.26Å; F92-L353 HydrophobicContact CZ-CD2 4.11Å; F130-L353 HydrophobicContact CE2-CB 4.28Å; F130-L353 HydrophobicContact CE2-CD1 4.35Å; F130-L353 HydrophobicContact CE2-CD2 4.23Å; F130-L353 HydrophobicContact CZ-CB 4Å; V349-L353 HydrophobicContact CG1-CD1 3.71Å; V349-L353 HydrophobicContact CG1-CG 4.23Å; V349-L353 PolarHBondContact O-N 3.36Å; L353-V358 HydrophobicContact CD2-CG1 4.09Å; L353-R359 WeakPolarHBondContact O-CG 3.4Å; L353-I362 HydrophobicContact CD2-CD1 4.45Å; L353-W372 HydrophobicContact CB-CB 4.32Å; L353-W372 HydrophobicContact CB-CD2 4.06Å; L353-W372 HydrophobicContact CB-CE3 4.27Å; L353-W372 HydrophobicContact CB-CG 4.09Å; L353-W372 HydrophobicContact CD1-CD2 3.6Å; L353-W372 HydrophobicContact CD1-CE3 4.06Å; L353-W372 HydrophobicContact CD1-CG 4.11Å; L353-W372 HydrophobicContact CD1-CH2 3.92Å; L353-W372 HydrophobicContact CD1-CZ2 3.51Å; L353-W372 HydrophobicContact CD1-CZ3 4.2Å; L353-W372 HydrophobicContact CG-CD2 4.48Å |
| 354 | N | 93.2 | Very high | 89.7 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -87.6 | -7 | 174.6 | -75.9 | -58.9 | 0 | 0 | 0 | 114.7 | S350 K351 Y352 T371 W372 | S350-N354 VanDerWaalsContact O-CB 3.32Å; S350-N354 WeakPolarHBondContact O-CB 3.34Å; S350-N354 PolarHBondContact O-N 3.25Å; S350-N354 VanDerWaalsContact O-N 3.13Å; S350-N354 PolarHBondContact O-ND2 3.09Å; S350-N354 PolarHBondContact OG-ND2 3.31Å; K351-N354 PolarHBondContact O-N 2.69Å; Y352-N354 PolarHBondContact O-N 3.14Å; N354-T371 WeakPolarHBondContact OD1-CA 3.49Å; N354-W372 PolarHBondContact ND2-O 2.05Å; N354-W372 PolarHBondContact OD1-N 2.94Å |
| 355 | Y | 91.2 | Very high | 89.6 | Confident | 112 Ų | 112 | 55 Ų | 55 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -62.6 | 133.5 | 174.1 | -84.6 | -71.3 | 0 | 0 | 0 | 110.8 | T104 K351 Y352 Y357 V358 R359 | T104-Y355 HydrophobicContact CG2-CD2 4Å; T104-Y355 HydrophobicContact CG2-CE2 3.4Å; T104-Y355 VanDerWaalsContact CG2-CE2 3.4Å; K351-Y355 WeakPolarHBondContact O-CD2 3.45Å; K351-Y355 PolarHBondContact O-N 3.29Å; Y352-Y355 PolarHBondContact O-N 3.11Å; Y352-Y355 VanDerWaalsContact O-N 3.1Å; Y355-Y357 VanDerWaalsContact C-N 3.28Å; Y355-Y357 PolarHBondContact O-N 3.46Å; Y355-V358 PolarHBondContact O-N 2.91Å; Y355-R359 PolarHBondContact O-N 3.42Å |
| 356 | P | 91.1 | Very high | 89.4 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -53.2 | -42.2 | -178 | -29.6 | 35.7 | 0 | 0 | 0 | 113.9 | V358 R359 E360 | P356-V358 PolarHBondContact O-N 2.99Å; P356-R359 PolarHBondContact O-N 3.34Å; P356-E360 WeakPolarHBondContact O-CB 3.31Å; P356-E360 PolarHBondContact O-N 2.94Å |
| 357 | Y | 90.6 | Very high | 89 | Confident | 172 Ų | 172 | 63.1 Ų | 63.1 | 68% | 0.675 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68 | -32.5 | 179.3 | -53.8 | -66.4 | 0 | 0 | 0 | 113.2 | Y355 A361 | Y355-Y357 VanDerWaalsContact C-N 3.28Å; Y355-Y357 PolarHBondContact O-N 3.46Å; Y357-A361 VanDerWaalsContact O-CB 3.28Å; Y357-A361 WeakPolarHBondContact O-CB 3.3Å; Y357-A361 PolarHBondContact O-N 3.38Å |
| 358 | V | 92.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.3 | -47.3 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | P35 Y352 L353 Y355 P356 E360 A361 I362 | P35-V358 HydrophobicContact CB-CG2 4Å; P35-V358 HydrophobicContact CG-CG2 3.94Å; Y352-V358 HydrophobicContact CD1-CG1 4.23Å; Y352-V358 HydrophobicContact CD2-CG2 4.11Å; Y352-V358 HydrophobicContact CE1-CG1 3.78Å; Y352-V358 HydrophobicContact CE1-CG2 4.18Å; Y352-V358 HydrophobicContact CE2-CG2 3.68Å; Y352-V358 WeakPolarHBondContact O-CB 3.25Å; Y352-V358 WeakPolarHBondContact O-CG2 3.37Å; L353-V358 HydrophobicContact CD2-CG1 4.09Å; Y355-V358 PolarHBondContact O-N 2.91Å; P356-V358 PolarHBondContact O-N 2.99Å; V358-E360 VanDerWaalsContact C-N 3.28Å; V358-E360 PolarHBondContact O-N 3.07Å; V358-A361 WeakPolarHBondContact O-CB 3.47Å; V358-A361 PolarHBondContact O-N 2.76Å; V358-A361 VanDerWaalsContact O-N 3.15Å; V358-I362 WeakPolarHBondContact O-CG1 3.31Å; V358-I362 PolarHBondContact O-N 2.82Å; V358-I362 VanDerWaalsContact O-N 3.09Å |
| 359 | R | 93.8 | Very high | 88.4 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.125 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -41 | 176.4 | -67.1 | -177 | 63.7 | 106.2 | 7 | 112.5 | L353 Y355 P356 H363 M364 P369 | L353-R359 WeakPolarHBondContact O-CG 3.4Å; Y355-R359 PolarHBondContact O-N 3.42Å; P356-R359 PolarHBondContact O-N 3.34Å; R359-H363 PolarHBondContact O-N 3.19Å; R359-M364 HydrophobicContact CB-CB 4.04Å; R359-M364 HydrophobicContact CB-CG 4.09Å; R359-M364 HydrophobicContact CG-CG 4.38Å; R359-M364 VanDerWaalsContact O-CB 3.3Å; R359-M364 WeakPolarHBondContact O-CB 3.4Å; R359-M364 WeakPolarHBondContact O-CG 3.5Å; R359-M364 PolarHBondContact O-N 2.9Å; R359-P369 PolarHBondContact NH1-O 2.75Å; R359-P369 PolarHBondContact NH2-O 3.31Å |
| 360 | E | 92.2 | Very high | 88 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.7 | -47.2 | 174.9 | -177.1 | 172.5 | -165 | 0 | 0 | 111.7 | P356 V358 I362 H363 | P356-E360 WeakPolarHBondContact O-CB 3.31Å; P356-E360 PolarHBondContact O-N 2.94Å; V358-E360 VanDerWaalsContact C-N 3.28Å; V358-E360 PolarHBondContact O-N 3.07Å; E360-I362 PolarHBondContact O-N 3.16Å; E360-H363 PolarHBondContact O-N 3.5Å; E360-H363 VanDerWaalsContact O-N 3.07Å |
| 361 | A | 93 | Very high | 88 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.7 | -31.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S33 L34 Y357 V358 | S33-A361 WeakPolarHBondContact O-CB 3.41Å; L34-A361 HydrophobicContact CD1-CB 4.39Å; Y357-A361 VanDerWaalsContact O-CB 3.28Å; Y357-A361 WeakPolarHBondContact O-CB 3.3Å; Y357-A361 PolarHBondContact O-N 3.38Å; V358-A361 WeakPolarHBondContact O-CB 3.47Å; V358-A361 PolarHBondContact O-N 2.76Å; V358-A361 VanDerWaalsContact O-N 3.15Å |
| 362 | I | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 13.2 | -178.3 | 74.7 | 177.5 | 0 | 0 | 0 | 112.8 | V31 L34 S47 W62 F130 L353 V358 E360 M364 | V31-I362 HydrophobicContact CG2-CG2 4.45Å; L34-I362 HydrophobicContact CD1-CG2 3.79Å; S47-I362 WeakPolarHBondContact CB-O 3.18Å; S47-I362 WeakPolarHBondContact OG-CB 3.38Å; S47-I362 PolarHBondContact OG-O 3.02Å; W62-I362 HydrophobicContact CE3-CG2 4.36Å; W62-I362 HydrophobicContact CH2-CB 4.48Å; W62-I362 HydrophobicContact CH2-CG2 3.33Å; W62-I362 HydrophobicContact CZ2-CG2 3.85Å; W62-I362 HydrophobicContact CZ3-CB 4.39Å; W62-I362 HydrophobicContact CZ3-CD1 4.2Å; W62-I362 HydrophobicContact CZ3-CG2 3.62Å; F130-I362 HydrophobicContact CD2-CD1 4.19Å; F130-I362 HydrophobicContact CE2-CD1 3.52Å; F130-I362 HydrophobicContact CZ-CD1 3.98Å; L353-I362 HydrophobicContact CD2-CD1 4.45Å; V358-I362 WeakPolarHBondContact O-CG1 3.31Å; V358-I362 PolarHBondContact O-N 2.82Å; V358-I362 VanDerWaalsContact O-N 3.09Å; E360-I362 PolarHBondContact O-N 3.16Å; I362-M364 HydrophobicContact CD1-CE 4.02Å; I362-M364 HydrophobicContact CD1-CG 3.85Å; I362-M364 HydrophobicContact CD1-SD 4.24Å; I362-M364 HydrophobicContact CG1-CE 3.75Å; I362-M364 HydrophobicContact CG1-CG 3.67Å; I362-M364 HydrophobicContact CG1-SD 4.32Å; I362-M364 WeakPolarHBondContact O-CE 3.49Å; I362-M364 PolarHBondContact O-N 2.87Å |
| 363 | H | 92.8 | Very high | 88.2 | Confident | 74 Ų | 74 | 70 Ų | 70 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 36 | 174.3 | -49.1 | -63.3 | 0 | 0 | 0 | 114.7 | R28 D29 R30 S47 R359 E360 K365 | R28-H363 PolarHBondContact O-CD2 3.43Å; R28-H363 PolarHBondContact O-CE1 3.31Å; R28-H363 PolarHBondContact O-NE2 3.07Å; D29-H363 PolarHBondContact O-CD2 3.15Å; R30-H363 PolarHBondContact O-NE2 2.83Å; S47-H363 PolarHBondContact O-CD2 3.06Å; R359-H363 PolarHBondContact O-N 3.19Å; E360-H363 PolarHBondContact O-N 3.5Å; E360-H363 VanDerWaalsContact O-N 3.07Å; H363-K365 PolarHBondContact O-N 3.37Å |
| 364 | M | 91.1 | Very high | 88.3 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 133.7 | 176.8 | -69.1 | -56 | 97.1 | 0 | 0 | 111.6 | Y49 H60 F130 R359 I362 K366 | Y49-M364 HydrophobicContact CE2-CE 3.97Å; Y49-M364 HydrophobicContact CE2-SD 4.36Å; Y49-M364 PolarHBondContact OH-SD 3.34Å; H60-M364 WeakPolarHBondContact CD2-CE 2.99Å; H60-M364 WeakPolarHBondContact NE2-CE 3.3Å; F130-M364 HydrophobicContact CB-SD 3.55Å; F130-M364 VanDerWaalsContact CB-SD 3.55Å; F130-M364 HydrophobicContact CD1-CG 4.02Å; F130-M364 HydrophobicContact CD1-SD 3.39Å; F130-M364 WeakPolarHBondContact CD1-SD 3.29Å; F130-M364 HydrophobicContact CD2-CE 4.38Å; F130-M364 HydrophobicContact CD2-SD 3.6Å; F130-M364 HydrophobicContact CE1-CG 3.92Å; F130-M364 HydrophobicContact CE1-SD 3.89Å; F130-M364 HydrophobicContact CE2-CG 4.45Å; F130-M364 HydrophobicContact CE2-SD 4.08Å; F130-M364 HydrophobicContact CG-CE 4.41Å; F130-M364 HydrophobicContact CG-CG 4.32Å; F130-M364 HydrophobicContact CG-SD 3.22Å; F130-M364 WeakPolarHBondContact CG-SD 3.28Å; F130-M364 HydrophobicContact CZ-CG 4.15Å; F130-M364 HydrophobicContact CZ-SD 4.2Å; R359-M364 HydrophobicContact CB-CB 4.04Å; R359-M364 HydrophobicContact CB-CG 4.09Å; R359-M364 HydrophobicContact CG-CG 4.38Å; R359-M364 VanDerWaalsContact O-CB 3.3Å; R359-M364 WeakPolarHBondContact O-CB 3.4Å; R359-M364 WeakPolarHBondContact O-CG 3.5Å; R359-M364 PolarHBondContact O-N 2.9Å; I362-M364 HydrophobicContact CD1-CE 4.02Å; I362-M364 HydrophobicContact CD1-CG 3.85Å; I362-M364 HydrophobicContact CD1-SD 4.24Å; I362-M364 HydrophobicContact CG1-CE 3.75Å; I362-M364 HydrophobicContact CG1-CG 3.67Å; I362-M364 HydrophobicContact CG1-SD 4.32Å; I362-M364 WeakPolarHBondContact O-CE 3.49Å; I362-M364 PolarHBondContact O-N 2.87Å; M364-K366 PolarHBondContact O-N 2.78Å |
| 365 | K | 81.7 | Confident | 88.4 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 134.3 | 174 | -69.4 | -177 | -175.5 | 174.4 | 0 | 109.3 | Y49 Y132 H363 G367 V368 | Y49-K365 HydrophobicContact CE2-CG 4.19Å; Y132-K365 HydrophobicContact CE1-CD 4.33Å; Y132-K365 WeakPolarHBondContact OH-CD 3.29Å; Y132-K365 PolarHBondContact OH-NZ 3.02Å; H363-K365 PolarHBondContact O-N 3.37Å; K365-G367 PolarHBondContact O-N 3.38Å; K365-V368 PolarHBondContact O-N 3.3Å |
| 366 | K | 75.6 | Confident | 88.6 | Confident | 214 Ų | 214 | 63.8 Ų | 63.8 | 93% | 0.93 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 123.7 | 177.8 | -69.3 | -173.2 | 178.9 | -177.9 | 0 | 109.3 | M364 | M364-K366 PolarHBondContact O-N 2.78Š|
| 367 | G | 72.3 | Confident | 88.7 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -9.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | K365 | K365-G367 PolarHBondContact O-N 3.38Š|
| 368 | V | 76.4 | Confident | 88.9 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 35% | 0.352 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -142.5 | 127.4 | -179.7 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | Y132 K365 | Y132-V368 HydrophobicContact CD1-CG1 4.11Å; Y132-V368 HydrophobicContact CD2-CG1 3.73Å; Y132-V368 HydrophobicContact CE2-CG1 4.17Å; Y132-V368 HydrophobicContact CG-CG1 3.71Å; K365-V368 PolarHBondContact O-N 3.3Å |
| 369 | P | 78.2 | Confident | 89.1 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | S | Bend | cis | -70.5 | 155.5 | -17.8 | 26.6 | -27.7 | 0 | 0 | 0 | 110.8 | G129 F130 R359 T371 | G129-P369 VanDerWaalsContact O-CG 3.29Å; G129-P369 WeakPolarHBondContact O-CG 3.45Å; F130-P369 VanDerWaalsContact CA-CG 3.46Å; F130-P369 HydrophobicContact CB-CG 4.37Å; F130-P369 HydrophobicContact CD1-CG 4.08Å; F130-P369 WeakPolarHBondContact O-CD 3.2Å; R359-P369 PolarHBondContact NH1-O 2.75Å; R359-P369 PolarHBondContact NH2-O 3.31Å; P369-T371 PolarHBondContact O-N 3.48Å |
| 370 | K | 81.5 | Confident | 89.2 | Confident | 187 Ų | 187 | 57.6 Ų | 57.6 | 81% | 0.813 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -63.1 | -43 | -174.8 | -69.8 | -177.9 | -179.6 | 175.6 | 0 | 112.5 | ||
| 371 | T | 90.8 | Very high | 89.3 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -139.9 | 133.9 | -175.7 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | N354 P369 V373 | N354-T371 WeakPolarHBondContact OD1-CA 3.49Å; P369-T371 PolarHBondContact O-N 3.48Å; T371-V373 HydrophobicContact CG2-CG1 4.45Å |
| 372 | W | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -80.7 | 133.2 | 168.7 | -173.8 | 97.5 | 0 | 0 | 0 | 109.8 | S86 M88 E123 G129 F130 V349 S350 L353 N354 E374 | S86-W372 VanDerWaalsContact CB-CZ2 3.48Å; S86-W372 WeakPolarHBondContact OG-CZ2 3.28Å; M88-W372 HydrophobicContact CB-CZ2 3.9Å; E123-W372 PolarHBondContact OE1-NE1 2.82Å; G129-W372 VanDerWaalsContact C-CD1 3.43Å; G129-W372 VanDerWaalsContact CA-NE1 3.34Å; F130-W372 HydrophobicContact CD1-CB 4.22Å; F130-W372 AromaticContact CD1-CD1 3.88Å; F130-W372 HydrophobicContact CD1-CG 4.46Å; F130-W372 AromaticContact CD2-CD1 3.47Å; F130-W372 VanDerWaalsContact CD2-CD1 3.47Å; F130-W372 HydrophobicContact CD2-CG 4.47Å; F130-W372 HydrophobicContact CE1-CB 3.61Å; F130-W372 AromaticContact CE1-CD1 3.83Å; F130-W372 HydrophobicContact CE1-CG 4.07Å; F130-W372 HydrophobicContact CE2-CB 4.43Å; F130-W372 AromaticContact CE2-CD1 3.4Å; F130-W372 HydrophobicContact CE2-CG 4.07Å; F130-W372 AromaticContact CG-CD1 3.71Å; F130-W372 HydrophobicContact CZ-CB 3.74Å; F130-W372 AromaticContact CZ-CD1 3.59Å; F130-W372 AromaticContact CZ-CG 3.86Å; F130-W372 HydrophobicContact CZ-CG 3.86Å; V349-W372 HydrophobicContact CB-CH2 3.95Å; V349-W372 HydrophobicContact CB-CZ3 4.08Å; V349-W372 HydrophobicContact CG1-CH2 3.37Å; V349-W372 HydrophobicContact CG1-CZ2 4.08Å; V349-W372 HydrophobicContact CG1-CZ3 3.82Å; S350-W372 VanDerWaalsContact CA-CE3 3.45Å; S350-W372 VanDerWaalsContact CA-CZ3 3.41Å; S350-W372 PolarHBondContact OG-O 3.05Å; L353-W372 HydrophobicContact CB-CB 4.32Å; L353-W372 HydrophobicContact CB-CD2 4.06Å; L353-W372 HydrophobicContact CB-CE3 4.27Å; L353-W372 HydrophobicContact CB-CG 4.09Å; L353-W372 HydrophobicContact CD1-CD2 3.6Å; L353-W372 HydrophobicContact CD1-CE3 4.06Å; L353-W372 HydrophobicContact CD1-CG 4.11Å; L353-W372 HydrophobicContact CD1-CH2 3.92Å; L353-W372 HydrophobicContact CD1-CZ2 3.51Å; L353-W372 HydrophobicContact CD1-CZ3 4.2Å; L353-W372 HydrophobicContact CG-CD2 4.48Å; N354-W372 PolarHBondContact ND2-O 2.05Å; N354-W372 PolarHBondContact OD1-N 2.94Å; W372-E374 HydrophobicContact CH2-CB 4.15Å; W372-E374 HydrophobicContact CH2-CG 4.49Å; W372-E374 WeakPolarHBondContact CH2-OE1 3.25Å; W372-E374 VanDerWaalsContact CH2-OE2 3.31Å; W372-E374 WeakPolarHBondContact CH2-OE2 3.3Å; W372-E374 HydrophobicContact CZ3-CB 4.25Å | ||
| 373 | V | 93.5 | Very high | 89.6 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | trans | -130.7 | 149.6 | 172 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | T371 | T371-V373 HydrophobicContact CG2-CG1 4.45Š| ||
| 374 | E | 94.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -58.6 | -53 | -177.4 | -168 | 65.2 | -96.8 | 0 | 0 | 111.3 | C85 S86 E89 L341 D346 W372 | C85-E374 CarbonylContact C-O 3.51Å; C85-E374 VanDerWaalsContact CA-O 3.31Å; C85-E374 WeakPolarHBondContact CA-O 3.25Å; S86-E374 PolarHBondContact N-O 2.76Å; E89-E374 WeakPolarHBondContact CB-OE1 3.45Å; L341-E374 HydrophobicContact CD1-CG 3.71Å; L341-E374 HydrophobicContact CG-CG 4.25Å; D346-E374 HydrophobicContact CB-CB 3.97Å; D346-E374 HydrophobicContact CB-CG 4.29Å; W372-E374 HydrophobicContact CH2-CB 4.15Å; W372-E374 HydrophobicContact CH2-CG 4.49Å; W372-E374 WeakPolarHBondContact CH2-OE1 3.25Å; W372-E374 VanDerWaalsContact CH2-OE2 3.31Å; W372-E374 WeakPolarHBondContact CH2-OE2 3.3Å; W372-E374 HydrophobicContact CZ3-CB 4.25Å |
| 375 | C | 95.7 | Very high | 90.1 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 129.6 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | G84 C85 F311 L339 D377 | G84-C375 CarbonylContact O-C 3.6Å; G84-C375 VanDerWaalsContact O-CA 3.27Å; G84-C375 WeakPolarHBondContact O-CA 3.34Å; C85-C375 HydrophobicContact CB-CB 4.12Å; C85-C375 WeakPolarHBondContact CB-SG 3.47Å; C85-C375 WeakPolarHBondContact SG-CB 3.43Å; C85-C375 CovalentContact SG-SG 2.05Å; C85-C375 PolarHBondContact SG-SG 2.71Å; F311-C375 HydrophobicContact CE1-CB 3.95Å; F311-C375 HydrophobicContact CZ-CB 4.12Å; L339-C375 HydrophobicContact CD2-CB 3.97Å; L339-C375 HydrophobicContact CG-CB 4.23Å; C375-D377 PolarHBondContact O-N 3.45Å |
| 376 | S | 95.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | trans | -84.1 | 110.4 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | G84 G127 E378 V379 M380 | G84-S376 PolarHBondContact O-N 3.45Å; G127-S376 WeakPolarHBondContact O-CB 3.2Å; G127-S376 PolarHBondContact O-OG 3.21Å; S376-E378 VanDerWaalsContact C-N 3.28Å; S376-E378 PolarHBondContact O-N 2.49Å; S376-V379 PolarHBondContact O-N 3.22Å; S376-V379 WeakPolarHBondContact OG-CG2 3.01Å; S376-V379 PolarHBondContact OG-N 3.25Å; S376-M380 WeakPolarHBondContact O-CB 3.46Å; S376-M380 PolarHBondContact O-N 3.4Å | ||
| 377 | D | 94.4 | Very high | 92 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 174.6 | 178.9 | 67.1 | 0 | 0 | 0 | 112 | H308 R332 V337 L339 C375 V379 M380 A381 | H308-D377 IonicContact CE1-OD1 2.97Å; H308-D377 PolarHBondContact CE1-OD1 2.84Å; H308-D377 IonicContact NE2-OD1 3.75Å; H308-D377 PolarHBondContact NE2-OD1 3.04Å; R332-D377 IonicContact CZ-OD1 3.77Å; R332-D377 IonicContact CZ-OD2 3.23Å; R332-D377 VanDerWaalsContact CZ-OD2 3.23Å; R332-D377 IonicContact NE-OD2 2.73Å; R332-D377 PolarHBondContact NE-OD2 3.34Å; R332-D377 VanDerWaalsContact NH2-CG 3.26Å; R332-D377 IonicContact NH2-OD1 3.29Å; R332-D377 PolarHBondContact NH2-OD1 3.28Å; R332-D377 IonicContact NH2-OD2 3.94Å; R332-D377 PolarHBondContact NH2-OD2 2.67Å; V337-D377 HydrophobicContact CG2-CB 4.43Å; V337-D377 WeakPolarHBondContact CG2-OD2 3.15Å; L339-D377 HydrophobicContact CB-CB 3.74Å; C375-D377 PolarHBondContact O-N 3.45Å; D377-V379 VanDerWaalsContact C-N 3.33Å; D377-V379 PolarHBondContact O-N 3.36Å; D377-M380 PolarHBondContact O-N 3.19Å; D377-M380 WeakPolarHBondContact OD1-CE 3Å; D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 2.89Å |
| 378 | E | 94.2 | Very high | 93.2 | Very high | 140 Ų | 140 | 50.8 Ų | 50.8 | 65% | 0.654 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | -178.8 | -56.5 | -178.2 | 168.5 | 0 | 0 | 110.9 | I138 S376 A382 | I138-E378 HydrophobicContact CD1-CB 3.47Å; I138-E378 VanDerWaalsContact CD1-CB 3.47Å; S376-E378 VanDerWaalsContact C-N 3.28Å; S376-E378 PolarHBondContact O-N 2.49Å; E378-A382 VanDerWaalsContact O-CB 3.32Å; E378-A382 WeakPolarHBondContact O-CB 3.18Å; E378-A382 PolarHBondContact O-N 3.07Å |
| 379 | V | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -52.7 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 109.8 | P125 V128 I138 S376 D377 A381 A382 Y383 | P125-V379 HydrophobicContact CG-CG1 3.51Å; V128-V379 HydrophobicContact CG2-CB 4.45Å; V128-V379 HydrophobicContact CG2-CG1 4.11Å; V128-V379 HydrophobicContact CG2-CG2 4.2Å; I138-V379 HydrophobicContact CB-CG2 4.4Å; I138-V379 HydrophobicContact CD1-CG2 3.92Å; S376-V379 PolarHBondContact O-N 3.22Å; S376-V379 WeakPolarHBondContact OG-CG2 3.01Å; S376-V379 PolarHBondContact OG-N 3.25Å; D377-V379 VanDerWaalsContact C-N 3.33Å; D377-V379 PolarHBondContact O-N 3.36Å; V379-A381 VanDerWaalsContact C-N 3.26Å; V379-A381 PolarHBondContact O-N 3.38Å; V379-A382 PolarHBondContact O-N 2Å; V379-Y383 HydrophobicContact CG1-CD2 4.19Å; V379-Y383 VanDerWaalsContact O-CB 3.28Å; V379-Y383 WeakPolarHBondContact O-CB 3.27Å; V379-Y383 PolarHBondContact O-N 3.26Å |
| 380 | M | 95.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -42.8 | -177.7 | -177.4 | -78 | -66.6 | 0 | 0 | 112.1 | P83 D310 F311 L339 S376 D377 Y383 | P83-M380 WeakPolarHBondContact O-CB 3.36Å; D310-M380 WeakPolarHBondContact O-CE 3.31Å; F311-M380 HydrophobicContact CD1-CG 4.45Å; L339-M380 HydrophobicContact CD1-CE 4.45Å; L339-M380 HydrophobicContact CD2-CB 3.82Å; L339-M380 HydrophobicContact CD2-CE 4.12Å; L339-M380 HydrophobicContact CD2-CG 3.93Å; S376-M380 WeakPolarHBondContact O-CB 3.46Å; S376-M380 PolarHBondContact O-N 3.4Å; D377-M380 PolarHBondContact O-N 3.19Å; D377-M380 WeakPolarHBondContact OD1-CE 3Å; M380-Y383 PolarHBondContact O-N 2.95Å |
| 381 | A | 94.8 | Very high | 96 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.1 | -40.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R332 D377 V379 Y383 | R332-A381 VanDerWaalsContact CZ-CB 3.46Å; D377-A381 VanDerWaalsContact O-CB 3.23Å; D377-A381 WeakPolarHBondContact O-CB 3.48Å; D377-A381 PolarHBondContact O-N 2.89Å; V379-A381 VanDerWaalsContact C-N 3.26Å; V379-A381 PolarHBondContact O-N 3.38Å; A381-Y383 VanDerWaalsContact C-N 3.34Å |
| 382 | A | 94.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -81.1 | -13.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E378 V379 K384 | E378-A382 VanDerWaalsContact O-CB 3.32Å; E378-A382 WeakPolarHBondContact O-CB 3.18Å; E378-A382 PolarHBondContact O-N 3.07Å; V379-A382 PolarHBondContact O-N 2Å; A382-K384 PolarHBondContact O-N 2.99Å |
| 383 | Y | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | -69 | 114.9 | -172.1 | -154.5 | -83.3 | 0 | 0 | 0 | 112.9 | P83 P125 T140 D141 D142 T145 Y175 Y179 V379 M380 A381 R385 | P83-Y383 HydrophobicContact CB-CD1 3.93Å; P83-Y383 HydrophobicContact CB-CD2 3.8Å; P83-Y383 HydrophobicContact CB-CE1 4.25Å; P83-Y383 HydrophobicContact CB-CE2 4.13Å; P83-Y383 HydrophobicContact CB-CG 3.71Å; P83-Y383 HydrophobicContact CG-CD1 3.87Å; P83-Y383 HydrophobicContact CG-CD2 4.34Å; P83-Y383 HydrophobicContact CG-CG 3.76Å; P125-Y383 HydrophobicContact CG-CD2 4.33Å; P125-Y383 HydrophobicContact CG-CE2 4.02Å; T140-Y383 HydrophobicContact CG2-CD2 3.51Å; T140-Y383 HydrophobicContact CG2-CE2 3.5Å; T140-Y383 VanDerWaalsContact CG2-CE2 3.5Å; D141-Y383 PolarHBondContact O-OH 3.48Å; D142-Y383 WeakPolarHBondContact CA-OH 3.46Å; D142-Y383 PolarHBondContact N-OH 3.33Å; D142-Y383 VanDerWaalsContact OD1-CE1 3.32Å; D142-Y383 WeakPolarHBondContact OD1-CE1 3.47Å; T145-Y383 VanDerWaalsContact CB-OH 3.28Å; T145-Y383 WeakPolarHBondContact CB-OH 3.3Å; T145-Y383 WeakPolarHBondContact OG1-CE2 3.44Å; T145-Y383 PolarHBondContact OG1-OH 3.48Å; Y175-Y383 AromaticContact CE1-CE1 3.94Å; Y175-Y383 HydrophobicContact CE1-CE1 3.94Å; Y179-Y383 HydrophobicContact CE1-CE2 4.48Å; Y179-Y383 AromaticContact CE1-CZ 3.88Å; Y179-Y383 VanDerWaalsContact CE1-OH 3.3Å; Y179-Y383 WeakPolarHBondContact CE1-OH 3.37Å; V379-Y383 HydrophobicContact CG1-CD2 4.19Å; V379-Y383 VanDerWaalsContact O-CB 3.28Å; V379-Y383 WeakPolarHBondContact O-CB 3.27Å; V379-Y383 PolarHBondContact O-N 3.26Å; M380-Y383 PolarHBondContact O-N 2.95Å; A381-Y383 VanDerWaalsContact C-N 3.34Å; Y383-R385 HydrophobicContact CD1-CG 4.17Å; Y383-R385 PolarHBondContact O-NH1 3.12Å | ||
| 384 | K | 97.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 38.8 Ų | 38.8 | 57% | 0.57 | 20% | 0.203 | S | C | * | . | B | Isolated β-bridge | trans | -88 | 121.3 | 174.9 | -177.9 | -170.6 | 174.3 | -164.1 | 0 | 111 | T140 D141 D142 A382 N386 | T140-K384 PolarHBondContact O-N 3.29Å; T140-K384 VanDerWaalsContact O-N 3.07Å; D141-K384 WeakPolarHBondContact CA-O 3.19Å; D141-K384 HydrophobicContact CB-CB 3.8Å; D141-K384 HydrophobicContact CB-CD 4.33Å; D141-K384 HydrophobicContact CB-CG 4.34Å; D141-K384 VanDerWaalsContact CB-O 3.25Å; D141-K384 WeakPolarHBondContact CB-O 3.19Å; D142-K384 PolarHBondContact N-O 3.25Å; A382-K384 PolarHBondContact O-N 2.99Å; K384-N386 VanDerWaalsContact CE-OD1 3.29Å; K384-N386 WeakPolarHBondContact CE-OD1 3.27Å |
| 385 | R | 97.9 | Very high | 96.9 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | trans | -95.1 | 106.2 | -179.9 | -47 | 174.9 | 167.2 | 59.7 | -9.2 | 108.6 | P83 D142 Y175 Y207 F311 N313 R316 Y383 | P83-R385 VanDerWaalsContact CD-NH2 3.33Å; D142-R385 WeakPolarHBondContact OD2-CA 3.37Å; Y175-R385 HydrophobicContact CE2-CG 4.31Å; Y175-R385 WeakPolarHBondContact OH-CB 3.28Å; Y175-R385 WeakPolarHBondContact OH-CG 3.33Å; Y207-R385 WeakPolarHBondContact OH-CD 3.3Å; F311-R385 PolarHBondContact O-NH2 3.1Å; N313-R385 PolarHBondContact OD1-NE 3.42Å; N313-R385 VanDerWaalsContact OD1-NE 3.09Å; R316-R385 VanDerWaalsContact CZ-CD 3.44Å; Y383-R385 HydrophobicContact CD1-CG 4.17Å; Y383-R385 PolarHBondContact O-NH1 3.12Å | ||
| 386 | N | 98.2 | Very high | 97.1 | Very high | 50 Ų | 50 | 46.8 Ų | 46.8 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | trans | -82.1 | -27.5 | -174.9 | -68.8 | -17.1 | 0 | 0 | 0 | 112.4 | D141 D142 D143 K384 | D141-N386 PolarHBondContact OD2-ND2 3.15Å; D142-N386 HydrophobicContact CB-CB 4.26Å; D142-N386 WeakPolarHBondContact OD2-CA 3.42Å; D142-N386 PolarHBondContact OD2-N 3.24Å; D143-N386 PolarHBondContact OD2-ND2 3.1Å; K384-N386 VanDerWaalsContact CE-OD1 3.29Å; K384-N386 WeakPolarHBondContact CE-OD1 3.27Å | ||
| 387 | Y | 98.3 | Very high | 97.2 | Very high | 58 Ų | 58 | 46.2 Ų | 46.2 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | trans | -111.5 | 128.9 | -173.9 | -58.1 | -79 | 0 | 0 | 0 | 112.2 | D142 D143 V178 L182 Y207 M390 | D142-Y387 HydrophobicContact CB-CD2 3.82Å; D142-Y387 HydrophobicContact CB-CE2 3.92Å; D142-Y387 WeakPolarHBondContact OD2-CD2 3.4Å; D142-Y387 PolarHBondContact OD2-N 3Å; D143-Y387 WeakPolarHBondContact OD1-CE2 3.44Å; D143-Y387 PolarHBondContact OD1-OH 3.33Å; D143-Y387 PolarHBondContact OD2-OH 2.94Å; V178-Y387 HydrophobicContact CG1-CD2 4.46Å; L182-Y387 HydrophobicContact CD1-CD2 3.88Å; L182-Y387 HydrophobicContact CD1-CE2 3.59Å; L182-Y387 HydrophobicContact CD2-CD2 4.32Å; L182-Y387 HydrophobicContact CD2-CE2 3.71Å; L182-Y387 HydrophobicContact CG-CE2 4.3Å; Y207-Y387 VanDerWaalsContact CE2-O 3.31Å; Y207-Y387 WeakPolarHBondContact CE2-O 3.48Å; Y387-M390 HydrophobicContact CG-SD 4.07Å | ||
| 388 | Q | 97 | Very high | 97.3 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -92.4 | -22 | 171.9 | -65.6 | -61.6 | -43.8 | 0 | 0 | 112.6 | Y207 | Y207-Q388 WeakPolarHBondContact CD2-O 3.41Å; Y207-Q388 PolarHBondContact N-O 3.38Å |
| 389 | D | 97.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -151.8 | 131.6 | -176.5 | -170.2 | -72.9 | 0 | 0 | 0 | 109.5 | S206 I391 | S206-D389 VanDerWaalsContact CB-OD2 3.25Å; S206-D389 WeakPolarHBondContact CB-OD2 3.35Å; S206-D389 PolarHBondContact OG-OD2 3.49Å; D389-I391 WeakPolarHBondContact OD1-CB 3.5Å; D389-I391 WeakPolarHBondContact OD1-CD1 3.47Å; D389-I391 WeakPolarHBondContact OD1-CG1 3.24Å; D389-I391 PolarHBondContact OD1-N 3.48Å |
| 390 | M | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -95.1 | 3.3 | -174.6 | -63.5 | -60.5 | -67.8 | 0 | 0 | 113.8 | V178 P181 L182 T205 Y387 P392 Q393 Y394 F423 | V178-M390 HydrophobicContact CB-SD 4.49Å; V178-M390 HydrophobicContact CG1-CE 4.35Å; V178-M390 HydrophobicContact CG1-SD 4.14Å; V178-M390 HydrophobicContact CG2-CG 4.37Å; V178-M390 HydrophobicContact CG2-SD 4.29Å; P181-M390 HydrophobicContact CB-CE 3.77Å; P181-M390 HydrophobicContact CG-CE 4.06Å; L182-M390 HydrophobicContact CD2-CE 4.26Å; L182-M390 HydrophobicContact CG-CE 4.08Å; T205-M390 VanDerWaalsContact O-CB 3.3Å; T205-M390 WeakPolarHBondContact O-CB 3.44Å; T205-M390 WeakPolarHBondContact O-CG 3.45Å; T205-M390 PolarHBondContact O-N 3.02Å; Y387-M390 HydrophobicContact CG-SD 4.07Å; M390-P392 VanDerWaalsContact C-CD 3.43Å; M390-P392 VanDerWaalsContact C-N 3.31Å; M390-Q393 VanDerWaalsContact C-OE1 3.29Å; M390-Q393 VanDerWaalsContact CA-OE1 3.32Å; M390-Q393 HydrophobicContact CE-CB 3.84Å; M390-Q393 HydrophobicContact CE-CG 3.67Å; M390-Q393 PolarHBondContact O-N 3Å; M390-Q393 PolarHBondContact O-OE1 3.4Å; M390-Q393 VanDerWaalsContact O-OE1 3.13Å; M390-Q393 HydrophobicContact SD-CG 4.48Å; M390-Y394 HydrophobicContact CB-CD2 3.76Å; M390-Y394 HydrophobicContact CB-CE2 3.76Å; M390-Y394 WeakPolarHBondContact O-CD2 3.18Å; M390-Y394 PolarHBondContact O-N 3.21Å; M390-Y394 VanDerWaalsContact O-N 3.08Å; M390-F423 HydrophobicContact CB-CE2 4.25Å; M390-F423 HydrophobicContact CB-CZ 4.17Å | ||
| 391 | I | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -49 | -46.7 | 179.6 | -76 | 170.9 | 0 | 0 | 0 | 111.8 | F209 D389 Q393 K395 F423 N426 L427 | F209-I391 HydrophobicContact CE2-CD1 4.29Å; D389-I391 WeakPolarHBondContact OD1-CB 3.5Å; D389-I391 WeakPolarHBondContact OD1-CD1 3.47Å; D389-I391 WeakPolarHBondContact OD1-CG1 3.24Å; D389-I391 PolarHBondContact OD1-N 3.48Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 3.11Å; I391-K395 HydrophobicContact CG2-CD 3.75Å; I391-K395 HydrophobicContact CG2-CG 4.34Å; I391-K395 WeakPolarHBondContact O-CB 3.29Å; I391-K395 WeakPolarHBondContact O-CG 3.25Å; I391-K395 PolarHBondContact O-N 3.08Å; I391-F423 HydrophobicContact CB-CE2 4.32Å; I391-F423 HydrophobicContact CG1-CD2 3.92Å; I391-F423 HydrophobicContact CG1-CE2 3.51Å; I391-F423 HydrophobicContact CG1-CZ 4.2Å; I391-N426 HydrophobicContact CD1-CB 4.05Å; I391-L427 HydrophobicContact CB-CD2 4.21Å; I391-L427 HydrophobicContact CG1-CD2 4.02Å; I391-L427 HydrophobicContact CG2-CD2 4.11Å |
| 392 | P | 98.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 48.1 Ų | 48.1 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | -179.7 | -25 | 35.1 | 0 | 0 | 0 | 113.5 | M390 K396 | M390-P392 VanDerWaalsContact C-CD 3.43Å; M390-P392 VanDerWaalsContact C-N 3.31Å; P392-K396 VanDerWaalsContact O-CG 3.3Å; P392-K396 WeakPolarHBondContact O-CG 3.37Å; P392-K396 PolarHBondContact O-N 2.92Å; P392-K396 VanDerWaalsContact O-N 3.07Å |
| 393 | Q | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.7 | -50.4 | -177 | -66.7 | 74 | 2.6 | 0 | 0 | 110.2 | P181 L182 L185 M390 I391 K395 K396 I397 | P181-Q393 HydrophobicContact CB-CB 4.08Å; L182-Q393 HydrophobicContact CD2-CG 3.84Å; L185-Q393 HydrophobicContact CD1-CB 4Å; L185-Q393 HydrophobicContact CD1-CG 3.92Å; M390-Q393 VanDerWaalsContact C-OE1 3.29Å; M390-Q393 VanDerWaalsContact CA-OE1 3.32Å; M390-Q393 HydrophobicContact CE-CB 3.84Å; M390-Q393 HydrophobicContact CE-CG 3.67Å; M390-Q393 PolarHBondContact O-N 3Å; M390-Q393 PolarHBondContact O-OE1 3.4Å; M390-Q393 VanDerWaalsContact O-OE1 3.13Å; M390-Q393 HydrophobicContact SD-CG 4.48Å; I391-Q393 VanDerWaalsContact C-N 3.3Å; I391-Q393 PolarHBondContact O-N 3.11Å; Q393-K395 VanDerWaalsContact C-N 3.31Å; Q393-K395 PolarHBondContact O-N 3.07Å; Q393-K396 WeakPolarHBondContact O-CB 3.48Å; Q393-K396 PolarHBondContact O-N 3.29Å; Q393-I397 WeakPolarHBondContact O-CG1 3.19Å; Q393-I397 PolarHBondContact O-N 2.95Å |
| 394 | Y | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 176.3 | -81.2 | -97.5 | 0 | 0 | 0 | 111.9 | P181 I200 T205 M390 K396 I397 L398 I404 I406 F423 | P181-Y394 HydrophobicContact CB-CD2 4.33Å; P181-Y394 HydrophobicContact CB-CE2 4.08Å; P181-Y394 HydrophobicContact CG-CD2 4Å; P181-Y394 HydrophobicContact CG-CE1 4.29Å; P181-Y394 HydrophobicContact CG-CE2 3.29Å; P181-Y394 VanDerWaalsContact CG-CZ 3.45Å; P181-Y394 WeakPolarHBondContact CG-OH 3.37Å; I200-Y394 HydrophobicContact CD1-CE1 4.22Å; I200-Y394 WeakPolarHBondContact CD1-OH 3.47Å; T205-Y394 HydrophobicContact CG2-CE2 4.19Å; M390-Y394 HydrophobicContact CB-CD2 3.76Å; M390-Y394 HydrophobicContact CB-CE2 3.76Å; M390-Y394 WeakPolarHBondContact O-CD2 3.18Å; M390-Y394 PolarHBondContact O-N 3.21Å; M390-Y394 VanDerWaalsContact O-N 3.08Å; Y394-K396 PolarHBondContact O-N 3.48Å; Y394-I397 PolarHBondContact O-N 3.43Å; Y394-L398 PolarHBondContact O-N 3.02Å; Y394-I404 HydrophobicContact CD1-CD1 3.63Å; Y394-I404 HydrophobicContact CD1-CG2 3.98Å; Y394-I404 HydrophobicContact CE1-CD1 4.34Å; Y394-I404 HydrophobicContact CE1-CG2 3.8Å; Y394-I404 HydrophobicContact CG-CD1 4.47Å; Y394-I406 HydrophobicContact CD1-CD1 4.28Å; Y394-I406 HydrophobicContact CE1-CD1 3.75Å; Y394-I406 HydrophobicContact CE1-CG1 4.17Å; Y394-F423 HydrophobicContact CD1-CE1 4.23Å; Y394-F423 AromaticContact CD2-CE1 3.86Å; Y394-F423 HydrophobicContact CD2-CE1 3.86Å; Y394-F423 AromaticContact CD2-CZ 3.5Å; Y394-F423 HydrophobicContact CD2-CZ 3.5Å; Y394-F423 HydrophobicContact CE1-CE1 4.5Å; Y394-F423 HydrophobicContact CE2-CE1 4.09Å; Y394-F423 AromaticContact CE2-CZ 3.93Å; Y394-F423 HydrophobicContact CE2-CZ 3.93Å; Y394-F423 AromaticContact CG-CE1 3.92Å; Y394-F423 HydrophobicContact CG-CE1 3.92Å; Y394-F423 AromaticContact CG-CZ 3.89Å; Y394-F423 HydrophobicContact CG-CZ 3.89Å |
| 395 | K | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 172.8 | -80.4 | 177.4 | 173.9 | 165.4 | 0 | 112.5 | I391 Q393 K399 L427 F429 | I391-K395 HydrophobicContact CG2-CD 3.75Å; I391-K395 HydrophobicContact CG2-CG 4.34Å; I391-K395 WeakPolarHBondContact O-CB 3.29Å; I391-K395 WeakPolarHBondContact O-CG 3.25Å; I391-K395 PolarHBondContact O-N 3.08Å; Q393-K395 VanDerWaalsContact C-N 3.31Å; Q393-K395 PolarHBondContact O-N 3.07Å; K395-K399 WeakPolarHBondContact O-CB 3.29Å; K395-K399 WeakPolarHBondContact O-CG 3.27Å; K395-K399 PolarHBondContact O-N 3.18Å; K395-K399 VanDerWaalsContact O-N 3.07Å; K395-L427 WeakPolarHBondContact CE-O 3.45Å; K395-L427 HydrophobicContact CG-CD2 4.16Å; K395-L427 PolarHBondContact NZ-O 3.08Å; K395-F429 HydrophobicContact CB-CZ 4.39Å; K395-F429 HydrophobicContact CG-CE2 3.81Å; K395-F429 HydrophobicContact CG-CZ 3.96Å |
| 396 | K | 98 | Very high | 97.9 | Very high | 120 Ų | 120 | 39.8 Ų | 39.8 | 52% | 0.522 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.1 | -76.8 | 171.5 | -177.9 | 176 | 0 | 111.2 | L185 P392 Q393 Y394 K399 S400 | L185-K396 HydrophobicContact CD1-CD 4.45Å; L185-K396 HydrophobicContact CD2-CB 3.67Å; L185-K396 HydrophobicContact CD2-CD 4.41Å; P392-K396 VanDerWaalsContact O-CG 3.3Å; P392-K396 WeakPolarHBondContact O-CG 3.37Å; P392-K396 PolarHBondContact O-N 2.92Å; P392-K396 VanDerWaalsContact O-N 3.07Å; Q393-K396 WeakPolarHBondContact O-CB 3.48Å; Q393-K396 PolarHBondContact O-N 3.29Å; Y394-K396 PolarHBondContact O-N 3.48Å; K396-K399 PolarHBondContact O-N 3.26Å; K396-S400 PolarHBondContact O-N 3.05Å; K396-S400 PolarHBondContact O-OG 2.94Å; K396-S400 VanDerWaalsContact O-OG 3.11Å |
| 397 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 179.5 | -65.9 | 166 | 0 | 0 | 0 | 111.4 | P181 A184 L185 I188 I198 Q393 Y394 K399 S400 Q401 I402 I404 | P181-I397 HydrophobicContact CB-CD1 3.68Å; A184-I397 HydrophobicContact CB-CD1 4Å; A184-I397 HydrophobicContact CB-CG1 4.4Å; L185-I397 HydrophobicContact CD2-CG1 3.8Å; L185-I397 HydrophobicContact CG-CD1 4.47Å; L185-I397 HydrophobicContact CG-CG1 4.11Å; I188-I397 HydrophobicContact CD1-CB 4.5Å; I188-I397 HydrophobicContact CD1-CG1 4.16Å; I188-I397 HydrophobicContact CD1-CG2 4.42Å; I198-I397 HydrophobicContact CD1-CD1 3.82Å; I198-I397 HydrophobicContact CD1-CG2 4.1Å; Q393-I397 WeakPolarHBondContact O-CG1 3.19Å; Q393-I397 PolarHBondContact O-N 2.95Å; Y394-I397 PolarHBondContact O-N 3.43Å; I397-K399 VanDerWaalsContact C-N 3.35Å; I397-K399 PolarHBondContact O-N 3.07Å; I397-S400 CarbonylContact O-C 3.47Å; I397-S400 WeakPolarHBondContact O-CA 3.22Å; I397-S400 WeakPolarHBondContact O-CB 3.38Å; I397-S400 PolarHBondContact O-N 3.49Å; I397-S400 VanDerWaalsContact O-N 3.11Å; I397-Q401 PolarHBondContact O-N 3.27Å; I397-I402 HydrophobicContact CG2-CB 3.71Å; I397-I402 HydrophobicContact CG2-CG1 4.49Å; I397-I402 HydrophobicContact CG2-CG2 3.92Å; I397-I402 PolarHBondContact O-N 2.88Å; I397-I404 HydrophobicContact CB-CD1 4.09Å; I397-I404 HydrophobicContact CG2-CD1 3.72Å; I397-I404 HydrophobicContact CG2-CG1 4.03Å |
| 398 | L | 96.9 | Very high | 98 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -72.7 | 167.7 | 0 | 0 | 0 | 112.2 | Y394 S400 Q401 I404 F429 H458 V461 L463 | Y394-L398 PolarHBondContact O-N 3.02Å; L398-S400 PolarHBondContact O-N 2.88Å; L398-Q401 PolarHBondContact O-N 3.1Å; L398-Q401 PolarHBondContact O-NE2 2.93Å; L398-Q401 VanDerWaalsContact O-NE2 3.12Å; L398-I404 HydrophobicContact CD1-CD1 4.31Å; L398-I404 HydrophobicContact CD2-CD1 3.94Å; L398-I404 HydrophobicContact CD2-CG1 3.95Å; L398-I404 HydrophobicContact CG-CD1 3.69Å; L398-I404 HydrophobicContact CG-CG1 4.27Å; L398-F429 HydrophobicContact CB-CE2 4.34Å; L398-F429 HydrophobicContact CB-CZ 4.05Å; L398-F429 HydrophobicContact CD1-CD2 3.66Å; L398-F429 HydrophobicContact CD1-CE2 3.29Å; L398-F429 HydrophobicContact CD1-CG 4.5Å; L398-F429 HydrophobicContact CD1-CZ 3.86Å; L398-F429 HydrophobicContact CG-CE2 4.45Å; L398-H458 HydrophobicContact CB-CB 4.41Å; L398-H458 PolarHBondContact O-CD2 3.01Å; L398-V461 HydrophobicContact CD2-CG2 4.2Å; L398-L463 HydrophobicContact CD1-CB 4.12Å; L398-L463 HydrophobicContact CD1-CD1 3.85Å; L398-L463 HydrophobicContact CD2-CB 4Å |
| 399 | K | 96.8 | Very high | 98.1 | Very high | 127 Ų | 127 | 29.7 Ų | 29.7 | 55% | 0.552 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -61.6 | -32.3 | 175 | -76.4 | 174 | -179.5 | -175.7 | 0 | 112.5 | K395 K396 I397 Q401 | K395-K399 WeakPolarHBondContact O-CB 3.29Å; K395-K399 WeakPolarHBondContact O-CG 3.27Å; K395-K399 PolarHBondContact O-N 3.18Å; K395-K399 VanDerWaalsContact O-N 3.07Å; K396-K399 PolarHBondContact O-N 3.26Å; I397-K399 VanDerWaalsContact C-N 3.35Å; I397-K399 PolarHBondContact O-N 3.07Å; K399-Q401 PolarHBondContact O-N 3.17Å |
| 400 | S | 97.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 29.1 Ų | 29.1 | 39% | 0.392 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 8.3 | 172.2 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | K396 I397 L398 | K396-S400 PolarHBondContact O-N 3.05Å; K396-S400 PolarHBondContact O-OG 2.94Å; K396-S400 VanDerWaalsContact O-OG 3.11Å; I397-S400 CarbonylContact O-C 3.47Å; I397-S400 WeakPolarHBondContact O-CA 3.22Å; I397-S400 WeakPolarHBondContact O-CB 3.38Å; I397-S400 PolarHBondContact O-N 3.49Å; I397-S400 VanDerWaalsContact O-N 3.11Å; L398-S400 PolarHBondContact O-N 2.88Å |
| 401 | Q | 96.7 | Very high | 98.1 | Very high | 56 Ų | 56 | 29.4 Ų | 29.4 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 41.6 | 176.5 | -55.5 | -63.8 | -86 | 0 | 0 | 113.4 | I397 L398 K399 H458 N460 V461 | I397-Q401 PolarHBondContact O-N 3.27Å; L398-Q401 PolarHBondContact O-N 3.1Å; L398-Q401 PolarHBondContact O-NE2 2.93Å; L398-Q401 VanDerWaalsContact O-NE2 3.12Å; K399-Q401 PolarHBondContact O-N 3.17Å; Q401-H458 PolarHBondContact NE2-O 3.09Å; Q401-N460 VanDerWaalsContact OE1-N 3.16Å; Q401-V461 HydrophobicContact CB-CG1 4.08Å; Q401-V461 VanDerWaalsContact O-CG1 3.26Å; Q401-V461 WeakPolarHBondContact O-CG1 3.14Å |
| 402 | I | 97.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | trans | -108.9 | 124.5 | 171.4 | -55.5 | -59.7 | 0 | 0 | 0 | 109 | I188 L195 I397 | I188-I402 HydrophobicContact CD1-CG1 3.83Å; I188-I402 HydrophobicContact CG1-CD1 4.42Å; I188-I402 HydrophobicContact CG1-CG1 3.87Å; L195-I402 HydrophobicContact CB-CD1 4.32Å; L195-I402 HydrophobicContact CD2-CD1 4.28Å; L195-I402 HydrophobicContact CD2-CG1 4.2Å; L195-I402 HydrophobicContact CD2-CG2 3.98Å; L195-I402 HydrophobicContact CG-CD1 4.27Å; L195-I402 HydrophobicContact CG-CG2 4.14Å; L195-I402 WeakPolarHBondContact O-CD1 3.49Å; I397-I402 HydrophobicContact CG2-CB 3.71Å; I397-I402 HydrophobicContact CG2-CG1 4.49Å; I397-I402 HydrophobicContact CG2-CG2 3.92Å; I397-I402 PolarHBondContact O-N 2.88Å | ||
| 403 | P | 97.5 | Very high | 98.1 | Very high | 33 Ų | 33 | 25.1 Ų | 25.1 | 21% | 0.214 | 12% | 0.124 | C | C | . | . | trans | -71.2 | 150.8 | 176.1 | 30.8 | -34.9 | 0 | 0 | 0 | 111.6 | R196 G197 I198 K462 | R196-P403 WeakPolarHBondContact O-CD 3.2Å; R196-P403 WeakPolarHBondContact O-CG 3.32Å; G197-P403 VanDerWaalsContact CA-O 3.3Å; G197-P403 WeakPolarHBondContact CA-O 3.33Å; I198-P403 PolarHBondContact N-O 3.07Å; I198-P403 VanDerWaalsContact N-O 3.08Å; P403-K462 WeakPolarHBondContact CA-O 3.04Å | ||
| 404 | I | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.7 | -174.8 | -55.3 | -173.4 | 0 | 0 | 0 | 108.7 | I198 Y394 I397 L398 I406 K462 L463 T464 | I198-I404 HydrophobicContact CD1-CD1 4.11Å; I198-I404 HydrophobicContact CD1-CG1 4.03Å; I198-I404 HydrophobicContact CD1-CG2 4.26Å; I198-I404 HydrophobicContact CG1-CB 4.2Å; I198-I404 HydrophobicContact CG1-CD1 4.49Å; I198-I404 HydrophobicContact CG1-CG1 3.86Å; I198-I404 HydrophobicContact CG1-CG2 4.01Å; I198-I404 CarbonylContact O-C 3.48Å; I198-I404 WeakPolarHBondContact O-CA 3.4Å; Y394-I404 HydrophobicContact CD1-CD1 3.63Å; Y394-I404 HydrophobicContact CD1-CG2 3.98Å; Y394-I404 HydrophobicContact CE1-CD1 4.34Å; Y394-I404 HydrophobicContact CE1-CG2 3.8Å; Y394-I404 HydrophobicContact CG-CD1 4.47Å; I397-I404 HydrophobicContact CB-CD1 4.09Å; I397-I404 HydrophobicContact CG2-CD1 3.72Å; I397-I404 HydrophobicContact CG2-CG1 4.03Å; L398-I404 HydrophobicContact CD1-CD1 4.31Å; L398-I404 HydrophobicContact CD2-CD1 3.94Å; L398-I404 HydrophobicContact CD2-CG1 3.95Å; L398-I404 HydrophobicContact CG-CD1 3.69Å; L398-I404 HydrophobicContact CG-CG1 4.27Å; I404-I406 HydrophobicContact CG2-CD1 4.48Å; I404-I406 HydrophobicContact CG2-CG1 4.17Å; I404-K462 PolarHBondContact N-O 2.9Å; I404-K462 VanDerWaalsContact N-O 3.13Å; I404-L463 HydrophobicContact CB-CB 4.47Å; I404-L463 HydrophobicContact CB-CD1 4.24Å; I404-L463 HydrophobicContact CB-CG 4.22Å; I404-L463 HydrophobicContact CD1-CD1 4.41Å; I404-L463 HydrophobicContact CG2-CD1 4.2Å; I404-L463 HydrophobicContact CG2-CG 4.37Å; I404-L463 CarbonylContact O-C 3.58Å; I404-L463 WeakPolarHBondContact O-CA 3.47Å; I404-T464 PolarHBondContact O-N 2.7Å |
| 405 | L | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.6 | 164 | 173.5 | 64.6 | 0 | 0 | 0 | 108.8 | I198 A199 I200 Y407 T464 A466 L486 F490 | I198-L405 PolarHBondContact O-N 3.27Å; A199-L405 CarbonylContact C-O 3.55Å; A199-L405 WeakPolarHBondContact CA-O 3.2Å; A199-L405 HydrophobicContact CB-CB 3.92Å; A199-L405 HydrophobicContact CB-CD2 4.1Å; A199-L405 HydrophobicContact CB-CG 4.32Å; I200-L405 PolarHBondContact N-O 2.84Å; L405-Y407 HydrophobicContact CD2-CD1 4.04Å; L405-Y407 HydrophobicContact CG-CD1 4.07Å; L405-T464 WeakPolarHBondContact CA-O 3.32Å; L405-T464 HydrophobicContact CD1-CG2 3.82Å; L405-A466 HydrophobicContact CD1-CB 4.49Å; L405-L486 HydrophobicContact CD1-CD1 4.37Å; L405-L486 HydrophobicContact CD2-CD1 4.38Å; L405-L486 HydrophobicContact CD2-CG 4.2Å; L405-F490 HydrophobicContact CB-CD2 3.65Å; L405-F490 HydrophobicContact CB-CE2 3.72Å; L405-F490 HydrophobicContact CB-CG 4.12Å; L405-F490 HydrophobicContact CB-CZ 4.25Å; L405-F490 HydrophobicContact CD2-CB 3.92Å; L405-F490 HydrophobicContact CD2-CD2 4.3Å; L405-F490 HydrophobicContact CD2-CG 4.02Å |
| 406 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | 163.8 | -69 | 166.3 | 0 | 0 | 0 | 106.1 | P203 Y394 I404 D420 F423 V424 T464 F465 A466 | P203-I406 HydrophobicContact CG-CG1 4.47Å; P203-I406 HydrophobicContact CG-CG2 3.7Å; Y394-I406 HydrophobicContact CD1-CD1 4.28Å; Y394-I406 HydrophobicContact CE1-CD1 3.75Å; Y394-I406 HydrophobicContact CE1-CG1 4.17Å; I404-I406 HydrophobicContact CG2-CD1 4.48Å; I404-I406 HydrophobicContact CG2-CG1 4.17Å; I406-D420 HydrophobicContact CG2-CB 4.18Å; I406-F423 HydrophobicContact CD1-CD1 4.27Å; I406-F423 HydrophobicContact CD1-CE1 4.22Å; I406-V424 HydrophobicContact CD1-CG1 3.59Å; I406-T464 PolarHBondContact N-O 3.36Å; I406-F465 HydrophobicContact CB-CD2 4.35Å; I406-F465 HydrophobicContact CG2-CD2 3.89Å; I406-F465 HydrophobicContact CG2-CE2 4.31Å; I406-F465 CarbonylContact O-C 3.6Å; I406-F465 VanDerWaalsContact O-CA 3.3Å; I406-F465 WeakPolarHBondContact O-CA 3.34Å; I406-A466 PolarHBondContact O-N 2.96Å |
| 407 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.2 | 174.9 | 63.7 | -88.7 | 0 | 0 | 0 | 110.9 | A199 I200 G201 N202 L405 A466 V475 M483 L486 | A199-Y407 HydrophobicContact CB-CE1 4.42Å; I200-Y407 VanDerWaalsContact C-CE1 3.49Å; I200-Y407 WeakPolarHBondContact O-CD1 3.25Å; I200-Y407 PolarHBondContact O-N 2.92Å; G201-Y407 CarbonylContact C-O 3.47Å; G201-Y407 VanDerWaalsContact CA-O 3.31Å; G201-Y407 WeakPolarHBondContact CA-O 3.31Å; G201-Y407 VanDerWaalsContact N-CZ 3.32Å; N202-Y407 PolarHBondContact N-O 3.38Å; L405-Y407 HydrophobicContact CD2-CD1 4.04Å; L405-Y407 HydrophobicContact CG-CD1 4.07Å; Y407-A466 CarbonylContact C-O 3.56Å; Y407-A466 WeakPolarHBondContact CA-O 3.26Å; Y407-V475 HydrophobicContact CD2-CB 4.15Å; Y407-V475 HydrophobicContact CD2-CG1 4.18Å; Y407-V475 HydrophobicContact CD2-CG2 4.05Å; Y407-V475 HydrophobicContact CE2-CB 3.9Å; Y407-V475 HydrophobicContact CE2-CG1 4.27Å; Y407-V475 HydrophobicContact CE2-CG2 4.08Å; Y407-M483 HydrophobicContact CD1-CE 4.05Å; Y407-M483 HydrophobicContact CD2-CE 4.13Å; Y407-M483 HydrophobicContact CD2-SD 3.64Å; Y407-M483 HydrophobicContact CE1-CE 3.87Å; Y407-M483 HydrophobicContact CE2-CE 3.97Å; Y407-M483 HydrophobicContact CE2-SD 3.54Å; Y407-M483 VanDerWaalsContact CE2-SD 3.54Å; Y407-M483 HydrophobicContact CG-CE 4.18Å; Y407-M483 HydrophobicContact CG-SD 4.21Å; Y407-L486 HydrophobicContact CG-CD2 4.35Å |
| 408 | N | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.3 | 178.9 | -67.8 | 76.8 | 0 | 0 | 0 | 110.2 | N202 D410 C415 F417 D420 F465 A466 T467 V468 | N202-N408 WeakPolarHBondContact OD1-CA 3.39Å; N408-D410 PolarHBondContact O-N 3.49Å; N408-C415 PolarHBondContact ND2-O 2.96Å; N408-F417 HydrophobicContact CB-CB 3.52Å; N408-D420 PolarHBondContact ND2-OD2 3.36Å; N408-D420 WeakPolarHBondContact OD1-CB 3.4Å; N408-D420 PolarHBondContact OD1-OD2 2.81Å; N408-F465 WeakPolarHBondContact OD1-CE2 3.29Å; N408-A466 PolarHBondContact N-O 3.12Å; N408-T467 CarbonylContact O-C 3.55Å; N408-T467 VanDerWaalsContact O-CA 3.24Å; N408-T467 WeakPolarHBondContact O-CA 3.23Å; N408-V468 PolarHBondContact O-N 2.73Å |
| 409 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 129.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N202 V411 A471 G472 | N202-G409 PolarHBondContact ND2-N 3.19Å; N202-G409 PolarHBondContact OD1-N 3.36Å; G409-V411 PolarHBondContact O-N 3.02Å; G409-A471 CarbonylContact C-O 3.47Å; G409-A471 WeakPolarHBondContact CA-O 3.09Å; G409-G472 WeakPolarHBondContact CA-O 3.13Å |
| 410 | D | 98.7 | Very high | 98.3 | Very high | 35 Ų | 35 | 14.8 Ų | 14.8 | 19% | 0.187 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.7 | -172.7 | 66.9 | 0.6 | 0 | 0 | 0 | 114.7 | N408 F417 V468 R469 G470 A471 | N408-D410 PolarHBondContact O-N 3.49Å; D410-F417 HydrophobicContact CB-CD1 3.91Å; D410-F417 HydrophobicContact CB-CE1 4.2Å; D410-F417 HydrophobicContact CB-CG 4.32Å; D410-V468 PolarHBondContact N-O 2.86Å; D410-R469 WeakPolarHBondContact OD2-CA 2.93Å; D410-G470 PolarHBondContact OD1-N 3.16Å; D410-A471 PolarHBondContact N-O 2.92Å; D410-A471 VanDerWaalsContact N-O 3.09Å |
| 411 | V | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 13.8 Ų | 13.8 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 7.2 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 113.6 | N274 L275 Y276 G409 A471 | N274-V411 VanDerWaalsContact OD1-CG2 3.27Å; N274-V411 WeakPolarHBondContact OD1-CG2 3.31Å; L275-V411 PolarHBondContact N-O 3.42Å; Y276-V411 HydrophobicContact CD2-CB 3.76Å; Y276-V411 HydrophobicContact CD2-CG1 3.53Å; Y276-V411 HydrophobicContact CD2-CG2 4.26Å; Y276-V411 HydrophobicContact CE2-CB 3.92Å; Y276-V411 HydrophobicContact CE2-CG1 3.42Å; Y276-V411 VanDerWaalsContact CE2-CG1 3.42Å; G409-V411 PolarHBondContact O-N 3.02Å; V411-A471 VanDerWaalsContact CG2-C 3.48Å; V411-A471 WeakPolarHBondContact CG2-O 3.43Å; V411-A471 PolarHBondContact N-O 3.42Å |
| 412 | D | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | -76.5 | 135.4 | 173.2 | 178.4 | 30.7 | 0 | 0 | 0 | 112 | N202 A414 C415 N416 H473 | N202-D412 WeakPolarHBondContact ND2-CB 3.39Å; N202-D412 VanDerWaalsContact ND2-CG 3.31Å; N202-D412 PolarHBondContact ND2-OD2 2.93Å; D412-A414 WeakPolarHBondContact OD1-CB 3.28Å; D412-A414 PolarHBondContact OD1-N 2.91Å; D412-C415 WeakPolarHBondContact OD2-CA 3.43Å; D412-C415 PolarHBondContact OD2-N 3.26Å; D412-C415 VanDerWaalsContact OD2-O 3.05Å; D412-N416 VanDerWaalsContact O-CA 3.31Å; D412-N416 WeakPolarHBondContact O-CA 3.43Å; D412-N416 VanDerWaalsContact O-CB 3.23Å; D412-N416 WeakPolarHBondContact O-CB 3.39Å; D412-H473 HydrophobicContact CB-CB 4.5Å; D412-H473 VanDerWaalsContact CG-ND1 3.28Å; D412-H473 IonicContact OD1-CG 2.52Å; D412-H473 IonicContact OD1-ND1 2.99Å; D412-H473 PolarHBondContact OD1-ND1 3.27Å; D412-H473 IonicContact OD2-CE1 3.64Å; D412-H473 IonicContact OD2-CG 2.92Å; D412-H473 IonicContact OD2-ND1 2.75Å; D412-H473 PolarHBondContact OD2-ND1 3.22Å | ||
| 413 | M | 97.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.015 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -104.4 | -18.9 | 173.2 | -67 | -168.5 | -65.3 | 0 | 0 | 113 | L214 F217 I218 L223 L270 N271 I272 L275 | L214-M413 HydrophobicContact CD1-CB 3.79Å; L214-M413 HydrophobicContact CD1-CG 4.19Å; L214-M413 WeakPolarHBondContact CD1-O 3.39Å; F217-M413 HydrophobicContact CD1-CG 3.73Å; F217-M413 HydrophobicContact CD1-SD 4.21Å; F217-M413 HydrophobicContact CE1-CG 3.43Å; F217-M413 VanDerWaalsContact CE1-CG 3.43Å; F217-M413 HydrophobicContact CE1-SD 4.07Å; F217-M413 HydrophobicContact CZ-CG 4.17Å; I218-M413 HydrophobicContact CG1-SD 4.48Å; L223-M413 HydrophobicContact CD1-SD 4.04Å; L270-M413 HydrophobicContact CB-CE 4.31Å; N271-M413 WeakPolarHBondContact O-CE 3.29Å; I272-M413 HydrophobicContact CG1-CB 3.81Å; I272-M413 WeakPolarHBondContact O-CA 3.39Å; I272-M413 WeakPolarHBondContact O-CB 3.3Å; I272-M413 PolarHBondContact O-N 3.3Å; L275-M413 HydrophobicContact CB-CE 4.34Å; L275-M413 HydrophobicContact CB-SD 4.49Å; L275-M413 HydrophobicContact CD1-CE 3.79Å; L275-M413 HydrophobicContact CD1-SD 3.99Å |
| 414 | A | 97.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 10.2 Ų | 10.2 | 11% | 0.107 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -45.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N210 I272 Y273 D412 | N210-A414 PolarHBondContact ND2-O 2.75Å; I272-A414 HydrophobicContact CG1-CB 4.27Å; I272-A414 PolarHBondContact O-N 3.46Å; Y273-A414 HydrophobicContact CD1-CB 3.73Å; Y273-A414 HydrophobicContact CE1-CB 3.76Å; D412-A414 WeakPolarHBondContact OD1-CB 3.28Å; D412-A414 PolarHBondContact OD1-N 2.91Å |
| 415 | C | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 69.8 | 174.1 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | N202 N210 N408 D412 | N202-C415 HydrophobicContact CB-CB 4.13Å; N202-C415 WeakPolarHBondContact O-CB 3.33Å; N202-C415 PolarHBondContact O-SG 2.89Å; N210-C415 WeakPolarHBondContact OD1-CA 3.34Å; N408-C415 PolarHBondContact ND2-O 2.96Å; D412-C415 WeakPolarHBondContact OD2-CA 3.43Å; D412-C415 PolarHBondContact OD2-N 3.26Å; D412-C415 VanDerWaalsContact OD2-O 3.05Å |
| 416 | N | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -64.2 | 144.3 | -169.3 | 70.6 | 89.3 | 0 | 0 | 0 | 112.7 | N210 S213 L214 F217 D412 I418 G419 | N210-N416 PolarHBondContact O-ND2 3.23Å; N210-N416 PolarHBondContact OD1-N 2.84Å; N210-N416 PolarHBondContact OD1-ND2 2.98Å; S213-N416 WeakPolarHBondContact CB-OD1 3.31Å; S213-N416 PolarHBondContact OG-ND2 3.19Å; S213-N416 PolarHBondContact OG-OD1 3.44Å; L214-N416 PolarHBondContact N-ND2 3.34Å; F217-N416 HydrophobicContact CD2-CB 3.89Å; F217-N416 HydrophobicContact CE2-CB 4.37Å; F217-N416 HydrophobicContact CG-CB 4.43Å; D412-N416 VanDerWaalsContact O-CA 3.31Å; D412-N416 WeakPolarHBondContact O-CA 3.43Å; D412-N416 VanDerWaalsContact O-CB 3.23Å; D412-N416 WeakPolarHBondContact O-CB 3.39Å; N416-I418 PolarHBondContact O-N 3.37Å; N416-I418 WeakPolarHBondContact OD1-CB 3.22Å; N416-I418 PolarHBondContact OD1-N 3.23Å; N416-G419 PolarHBondContact O-N 3Å; N416-G419 PolarHBondContact OD1-N 2.95Å; N416-G419 VanDerWaalsContact OD1-N 3.11Å | ||
| 417 | F | 98.7 | Very high | 97.9 | Very high | 43 Ų | 43 | 15.2 Ų | 15.2 | 19% | 0.189 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.1 | -27.4 | -175.7 | 81.3 | -84.8 | 0 | 0 | 0 | 114.3 | F217 N408 D410 G419 D421 F465 T467 | F217-F417 HydrophobicContact CD2-CE1 4.32Å; F217-F417 HydrophobicContact CE2-CD1 4.26Å; F217-F417 HydrophobicContact CE2-CE1 4.12Å; N408-F417 HydrophobicContact CB-CB 3.52Å; D410-F417 HydrophobicContact CB-CD1 3.91Å; D410-F417 HydrophobicContact CB-CE1 4.2Å; D410-F417 HydrophobicContact CB-CG 4.32Å; F417-G419 VanDerWaalsContact C-N 3.35Å; F417-D421 VanDerWaalsContact O-CB 3.28Å; F417-D421 WeakPolarHBondContact O-CB 3.49Å; F417-D421 PolarHBondContact O-N 3.37Å; F417-F465 HydrophobicContact CB-CZ 4.4Å; F417-F465 WeakPolarHBondContact O-CZ 3.45Å; F417-T467 HydrophobicContact CB-CG2 4.1Å; F417-T467 HydrophobicContact CD2-CG2 3.73Å; F417-T467 HydrophobicContact CE2-CG2 4.49Å; F417-T467 HydrophobicContact CG-CG2 4.1Å |
| 418 | I | 98.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 21.4 Ų | 21.4 | 19% | 0.185 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | -179.6 | -55.1 | 172 | 0 | 0 | 0 | 109.9 | F217 N416 D421 W422 | F217-I418 HydrophobicContact CB-CD1 4.29Å; F217-I418 HydrophobicContact CD2-CD1 4.22Å; N416-I418 PolarHBondContact O-N 3.37Å; N416-I418 WeakPolarHBondContact OD1-CB 3.22Å; N416-I418 PolarHBondContact OD1-N 3.23Å; I418-D421 PolarHBondContact O-N 3.36Å; I418-W422 HydrophobicContact CG2-CD2 4.28Å; I418-W422 HydrophobicContact CG2-CZ2 3.79Å; I418-W422 VanDerWaalsContact O-CD1 3.28Å; I418-W422 VanDerWaalsContact O-CG 3.26Å; I418-W422 PolarHBondContact O-N 3.01Å |
| 419 | G | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S213 N416 F417 W422 F423 | S213-G419 WeakPolarHBondContact OG-CA 3.17Å; S213-G419 PolarHBondContact OG-N 2.87Å; S213-G419 VanDerWaalsContact OG-N 3.08Å; N416-G419 PolarHBondContact O-N 3Å; N416-G419 PolarHBondContact OD1-N 2.95Å; N416-G419 VanDerWaalsContact OD1-N 3.11Å; F417-G419 VanDerWaalsContact C-N 3.35Å; G419-W422 WeakPolarHBondContact O-CB 3.3Å; G419-W422 PolarHBondContact O-N 3.34Å; G419-F423 PolarHBondContact O-N 3.37Å |
| 420 | D | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.7 | -32.6 | 175.4 | -77.9 | -49.8 | 0 | 0 | 0 | 112.9 | P203 T205 I406 N408 W422 F423 V424 F465 | P203-D420 WeakPolarHBondContact CD-OD2 3.15Å; P203-D420 VanDerWaalsContact O-OD2 3.05Å; T205-D420 WeakPolarHBondContact CB-OD1 3.31Å; T205-D420 WeakPolarHBondContact CG2-OD1 3.35Å; T205-D420 PolarHBondContact OG1-OD1 3.22Å; I406-D420 HydrophobicContact CG2-CB 4.18Å; N408-D420 PolarHBondContact ND2-OD2 3.36Å; N408-D420 WeakPolarHBondContact OD1-CB 3.4Å; N408-D420 PolarHBondContact OD1-OD2 2.81Å; D420-W422 VanDerWaalsContact C-N 3.31Å; D420-W422 PolarHBondContact O-N 3.05Å; D420-F423 WeakPolarHBondContact O-CB 3.02Å; D420-F423 PolarHBondContact O-N 2.86Å; D420-V424 WeakPolarHBondContact O-CG1 2.97Å; D420-V424 WeakPolarHBondContact O-CG2 3.4Å; D420-V424 PolarHBondContact O-N 3.49Å; D420-F465 HydrophobicContact CB-CE2 3.85Å |
| 421 | D | 97.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 171.8 | -169.8 | 75.5 | 0 | 0 | 0 | 111.8 | F417 I418 V424 S425 K454 F465 | F417-D421 VanDerWaalsContact O-CB 3.28Å; F417-D421 WeakPolarHBondContact O-CB 3.49Å; F417-D421 PolarHBondContact O-N 3.37Å; I418-D421 PolarHBondContact O-N 3.36Å; D421-V424 VanDerWaalsContact O-CG2 3.3Å; D421-V424 WeakPolarHBondContact O-CG2 3.03Å; D421-S425 WeakPolarHBondContact O-CB 3.12Å; D421-S425 PolarHBondContact O-N 3.48Å; D421-S425 PolarHBondContact O-OG 3.44Å; D421-K454 PolarHBondContact O-NZ 3.26Å; D421-K454 WeakPolarHBondContact OD1-CE 3.29Å; D421-K454 IonicContact OD1-NZ 2.73Å; D421-K454 PolarHBondContact OD1-NZ 3.34Å; D421-K454 IonicContact OD2-NZ 2.63Å; D421-K454 PolarHBondContact OD2-NZ 2.89Å; D421-F465 HydrophobicContact CB-CE1 3.81Å; D421-F465 HydrophobicContact CB-CE2 4.48Å; D421-F465 HydrophobicContact CB-CZ 3.75Å; D421-F465 WeakPolarHBondContact OD1-CD1 3.47Å; D421-F465 WeakPolarHBondContact OD1-CE1 3.45Å |
| 422 | W | 96.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 172.8 | -67.4 | -0.2 | 0 | 0 | 0 | 111.1 | F209 N212 Y216 H244 M246 I418 G419 D420 S425 N426 | F209-W422 HydrophobicContact CB-CB 4.35Å; F209-W422 HydrophobicContact CB-CE3 4.33Å; F209-W422 HydrophobicContact CD1-CB 4.31Å; F209-W422 HydrophobicContact CD1-CE3 4.16Å; F209-W422 HydrophobicContact CG-CB 4.18Å; N212-W422 HydrophobicContact CB-CZ3 4.02Å; Y216-W422 AromaticContact CD2-CH2 3.72Å; Y216-W422 HydrophobicContact CD2-CH2 3.72Å; Y216-W422 HydrophobicContact CD2-CZ2 4.3Å; Y216-W422 AromaticContact CE2-CH2 3.99Å; Y216-W422 HydrophobicContact CE2-CH2 3.99Å; H244-W422 HydrophobicContact CB-CH2 3.99Å; H244-W422 HydrophobicContact CB-CZ2 3.9Å; H244-W422 AromaticContact CD2-CE2 3.54Å; H244-W422 AromaticContact CD2-CZ2 3.5Å; H244-W422 VanDerWaalsContact CD2-CZ2 3.5Å; H244-W422 WeakPolarHBondContact CD2-CZ2 3.48Å; H244-W422 AromaticContact CD2-NE1 3.85Å; H244-W422 AromaticContact CG-CE2 3.96Å; H244-W422 AromaticContact CG-CH2 3.63Å; H244-W422 AromaticContact CG-CZ2 3.47Å; H244-W422 VanDerWaalsContact CG-CZ2 3.47Å; H244-W422 AromaticContact ND1-CH2 3.77Å; H244-W422 AromaticContact ND1-CZ2 3.98Å; H244-W422 AromaticContact ND1-CZ3 3.96Å; H244-W422 AromaticContact NE2-CD2 3.89Å; H244-W422 AromaticContact NE2-CE2 3.72Å; H244-W422 AromaticContact NE2-NE1 3.99Å; M246-W422 HydrophobicContact CE-CE3 3.99Å; M246-W422 HydrophobicContact CE-CH2 4.33Å; M246-W422 HydrophobicContact CE-CZ3 3.62Å; I418-W422 HydrophobicContact CG2-CD2 4.28Å; I418-W422 HydrophobicContact CG2-CZ2 3.79Å; I418-W422 VanDerWaalsContact O-CD1 3.28Å; I418-W422 VanDerWaalsContact O-CG 3.26Å; I418-W422 PolarHBondContact O-N 3.01Å; G419-W422 WeakPolarHBondContact O-CB 3.3Å; G419-W422 PolarHBondContact O-N 3.34Å; D420-W422 VanDerWaalsContact C-N 3.31Å; D420-W422 PolarHBondContact O-N 3.05Å; W422-S425 PolarHBondContact O-N 3.38Å; W422-N426 WeakPolarHBondContact O-CB 3.41Å; W422-N426 PolarHBondContact O-N 3.21Å; W422-N426 PolarHBondContact O-ND2 2.87Å |
| 423 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.6 | -54.3 | 177.5 | 174.6 | -98.6 | 0 | 0 | 0 | 111.9 | T205 F209 M390 I391 Y394 I406 G419 D420 S425 N426 L427 | T205-F423 HydrophobicContact CG2-CD1 3.88Å; T205-F423 HydrophobicContact CG2-CE1 3.86Å; T205-F423 HydrophobicContact CG2-CG 4.29Å; T205-F423 HydrophobicContact CG2-CZ 4.24Å; T205-F423 WeakPolarHBondContact OG1-CB 3.36Å; T205-F423 VanDerWaalsContact OG1-CG 3.24Å; T205-F423 WeakPolarHBondContact OG1-CG 3.37Å; F209-F423 HydrophobicContact CD2-CB 3.98Å; F209-F423 HydrophobicContact CD2-CD2 4.36Å; M390-F423 HydrophobicContact CB-CE2 4.25Å; M390-F423 HydrophobicContact CB-CZ 4.17Å; I391-F423 HydrophobicContact CB-CE2 4.32Å; I391-F423 HydrophobicContact CG1-CD2 3.92Å; I391-F423 HydrophobicContact CG1-CE2 3.51Å; I391-F423 HydrophobicContact CG1-CZ 4.2Å; Y394-F423 HydrophobicContact CD1-CE1 4.23Å; Y394-F423 AromaticContact CD2-CE1 3.86Å; Y394-F423 HydrophobicContact CD2-CE1 3.86Å; Y394-F423 AromaticContact CD2-CZ 3.5Å; Y394-F423 HydrophobicContact CD2-CZ 3.5Å; Y394-F423 HydrophobicContact CE1-CE1 4.5Å; Y394-F423 HydrophobicContact CE2-CE1 4.09Å; Y394-F423 AromaticContact CE2-CZ 3.93Å; Y394-F423 HydrophobicContact CE2-CZ 3.93Å; Y394-F423 AromaticContact CG-CE1 3.92Å; Y394-F423 HydrophobicContact CG-CE1 3.92Å; Y394-F423 AromaticContact CG-CZ 3.89Å; Y394-F423 HydrophobicContact CG-CZ 3.89Å; I406-F423 HydrophobicContact CD1-CD1 4.27Å; I406-F423 HydrophobicContact CD1-CE1 4.22Å; G419-F423 PolarHBondContact O-N 3.37Å; D420-F423 WeakPolarHBondContact O-CB 3.02Å; D420-F423 PolarHBondContact O-N 2.86Å; F423-S425 PolarHBondContact O-N 3.47Å; F423-N426 PolarHBondContact O-N 2.9Å; F423-L427 HydrophobicContact CE1-CD1 4.31Å; F423-L427 HydrophobicContact CE1-CD2 4.31Å; F423-L427 HydrophobicContact CE1-CG 4.46Å; F423-L427 HydrophobicContact CZ-CD2 4.18Å; F423-L427 PolarHBondContact O-N 2.95Å |
| 424 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -32 | -177.8 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | I406 D420 D421 L427 K454 F456 L463 F465 | I406-V424 HydrophobicContact CD1-CG1 3.59Å; D420-V424 WeakPolarHBondContact O-CG1 2.97Å; D420-V424 WeakPolarHBondContact O-CG2 3.4Å; D420-V424 PolarHBondContact O-N 3.49Å; D421-V424 VanDerWaalsContact O-CG2 3.3Å; D421-V424 WeakPolarHBondContact O-CG2 3.03Å; V424-L427 WeakPolarHBondContact O-CB 3.47Å; V424-L427 PolarHBondContact O-N 3.36Å; V424-K454 VanDerWaalsContact CG2-CE 3.47Å; V424-F456 HydrophobicContact CB-CE2 4.09Å; V424-F456 HydrophobicContact CG2-CE2 3.84Å; V424-F456 HydrophobicContact CG2-CZ 4.33Å; V424-L463 HydrophobicContact CB-CD2 3.92Å; V424-L463 HydrophobicContact CG1-CD2 3.83Å; V424-F465 HydrophobicContact CG1-CB 4.3Å; V424-F465 HydrophobicContact CG1-CD2 4.34Å; V424-F465 HydrophobicContact CG2-CB 3.95Å; V424-F465 HydrophobicContact CG2-CD2 4.34Å; V424-F465 HydrophobicContact CG2-CG 4.05Å |
| 425 | S | 94.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 28% | 0.28 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.9 | -35.3 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | D421 W422 F423 L427 N428 K454 | D421-S425 WeakPolarHBondContact O-CB 3.12Å; D421-S425 PolarHBondContact O-N 3.48Å; D421-S425 PolarHBondContact O-OG 3.44Å; W422-S425 PolarHBondContact O-N 3.38Å; F423-S425 PolarHBondContact O-N 3.47Å; S425-L427 VanDerWaalsContact C-N 3.27Å; S425-L427 PolarHBondContact O-N 3.49Å; S425-N428 PolarHBondContact O-N 2.96Å; S425-K454 PolarHBondContact OG-NZ 3.33Å |
| 426 | N | 95.3 | Very high | 95.8 | Very high | 65 Ų | 65 | 53 Ų | 53 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -80.1 | -2.9 | 178.1 | -80.1 | -86.2 | 0 | 0 | 0 | 113.9 | F209 I391 W422 F423 N428 | F209-N426 HydrophobicContact CE2-CB 3.96Å; F209-N426 HydrophobicContact CZ-CB 3.93Å; I391-N426 HydrophobicContact CD1-CB 4.05Å; W422-N426 WeakPolarHBondContact O-CB 3.41Å; W422-N426 PolarHBondContact O-N 3.21Å; W422-N426 PolarHBondContact O-ND2 2.87Å; F423-N426 PolarHBondContact O-N 2.9Å; N426-N428 PolarHBondContact O-N 3.47Å |
| 427 | L | 96.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.7 | 166.8 | -65 | 172.4 | 0 | 0 | 0 | 112.1 | I391 K395 F423 V424 S425 F429 L463 | I391-L427 HydrophobicContact CB-CD2 4.21Å; I391-L427 HydrophobicContact CG1-CD2 4.02Å; I391-L427 HydrophobicContact CG2-CD2 4.11Å; K395-L427 WeakPolarHBondContact CE-O 3.45Å; K395-L427 HydrophobicContact CG-CD2 4.16Å; K395-L427 PolarHBondContact NZ-O 3.08Å; F423-L427 HydrophobicContact CE1-CD1 4.31Å; F423-L427 HydrophobicContact CE1-CD2 4.31Å; F423-L427 HydrophobicContact CE1-CG 4.46Å; F423-L427 HydrophobicContact CZ-CD2 4.18Å; F423-L427 PolarHBondContact O-N 2.95Å; V424-L427 WeakPolarHBondContact O-CB 3.47Å; V424-L427 PolarHBondContact O-N 3.36Å; S425-L427 VanDerWaalsContact C-N 3.27Å; S425-L427 PolarHBondContact O-N 3.49Å; L427-F429 VanDerWaalsContact C-N 3.26Å; L427-F429 HydrophobicContact CB-CD2 3.66Å; L427-F429 HydrophobicContact CB-CE2 3.99Å; L427-F429 PolarHBondContact O-N 2.77Å; L427-L463 HydrophobicContact CD1-CD1 3.37Å |
| 428 | N | 93.2 | Very high | 95.7 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 70% | 0.695 | 27% | 0.274 | S | S | * | . | trans | 57.8 | 32.1 | 177.2 | -59.9 | -29 | 0 | 0 | 0 | 114.2 | S425 N426 | S425-N428 PolarHBondContact O-N 2.96Å; N426-N428 PolarHBondContact O-N 3.47Å | ||
| 429 | F | 94.1 | Very high | 95.6 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 15% | 0.145 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -85.3 | 157.4 | 166.5 | -68.9 | -72.9 | 0 | 0 | 0 | 110.7 | K395 L398 L427 R431 F456 H458 | K395-F429 HydrophobicContact CB-CZ 4.39Å; K395-F429 HydrophobicContact CG-CE2 3.81Å; K395-F429 HydrophobicContact CG-CZ 3.96Å; L398-F429 HydrophobicContact CB-CE2 4.34Å; L398-F429 HydrophobicContact CB-CZ 4.05Å; L398-F429 HydrophobicContact CD1-CD2 3.66Å; L398-F429 HydrophobicContact CD1-CE2 3.29Å; L398-F429 HydrophobicContact CD1-CG 4.5Å; L398-F429 HydrophobicContact CD1-CZ 3.86Å; L398-F429 HydrophobicContact CG-CE2 4.45Å; L427-F429 VanDerWaalsContact C-N 3.26Å; L427-F429 HydrophobicContact CB-CD2 3.66Å; L427-F429 HydrophobicContact CB-CE2 3.99Å; L427-F429 PolarHBondContact O-N 2.77Å; F429-R431 PolarHBondContact O-N 3.49Å; F429-F456 HydrophobicContact CB-CB 3.93Å; F429-F456 WeakPolarHBondContact O-CD1 3.26Å; F429-H458 HydrophobicContact CD1-CB 3.7Å; F429-H458 AromaticContact CD1-CG 3.9Å; F429-H458 AromaticContact CD1-ND1 3.72Å; F429-H458 HydrophobicContact CE1-CB 3.71Å; F429-H458 AromaticContact CE1-CG 3.52Å; F429-H458 AromaticContact CE1-ND1 3.41Å; F429-H458 WeakPolarHBondContact CE1-ND1 3.15Å |
| 430 | K | 92 | Very high | 95.5 | Very high | 170 Ų | 170 | 60.8 Ų | 60.8 | 74% | 0.739 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.8 | 178 | -173.6 | -179.3 | 177.7 | -177.5 | 0 | 109.1 | H432 F456 I457 | K430-H432 PolarHBondContact O-N 3.31Å; K430-F456 WeakPolarHBondContact O-CA 3.45Å; K430-I457 PolarHBondContact O-N 3.07Å |
| 431 | R | 92.9 | Very high | 95.3 | Very high | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 131.2 | 170.8 | -167.3 | 179.3 | -57.5 | 173.4 | 2.7 | 109.2 | F429 D433 S455 F456 | F429-R431 PolarHBondContact O-N 3.49Å; R431-D433 WeakPolarHBondContact CG-O 3.23Å; R431-S455 WeakPolarHBondContact CA-O 3.45Å; R431-S455 WeakPolarHBondContact CG-O 3.45Å; R431-F456 HydrophobicContact CB-CD1 4.14Å; R431-F456 HydrophobicContact CB-CE1 4.18Å; R431-F456 HydrophobicContact CG-CE1 4.43Å |
| 432 | H | 92.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | trans | -102.6 | -64.2 | 177.3 | 179.3 | -79.1 | 0 | 0 | 0 | 109.6 | K430 S455 I457 | K430-H432 PolarHBondContact O-N 3.31Å; H432-S455 PolarHBondContact N-O 3.22Å; H432-I457 HydrophobicContact CB-CB 3.99Å; H432-I457 HydrophobicContact CB-CG2 4.07Å | ||
| 433 | D | 92.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -95.9 | 132.7 | 175.1 | -53.9 | -53.6 | 0 | 0 | 0 | 110.1 | R431 W453 S455 K462 | R431-D433 WeakPolarHBondContact CG-O 3.23Å; D433-W453 HydrophobicContact CB-CE3 4.43Å; D433-W453 HydrophobicContact CB-CH2 3.66Å; D433-W453 HydrophobicContact CB-CZ2 4.39Å; D433-W453 HydrophobicContact CB-CZ3 3.69Å; D433-W453 VanDerWaalsContact CG-CH2 3.4Å; D433-W453 WeakPolarHBondContact OD2-CH2 3.48Å; D433-W453 WeakPolarHBondContact OD2-CZ3 3.42Å; D433-S455 WeakPolarHBondContact CB-OG 3.29Å; D433-S455 VanDerWaalsContact CG-OG 3.22Å; D433-S455 PolarHBondContact N-O 3.11Å; D433-S455 PolarHBondContact N-OG 3.45Å; D433-S455 VanDerWaalsContact N-OG 3.11Å; D433-S455 PolarHBondContact O-N 3.22Å; D433-S455 PolarHBondContact OD2-OG 3.37Å; D433-K462 IonicContact OD2-NZ 3.38Å; D433-K462 PolarHBondContact OD2-NZ 3.4Å |
| 434 | S | 93.8 | Very high | 94.3 | Very high | 76 Ų | 76 | 76.6 Ų | 76.6 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | trans | -68.9 | 159.8 | 172.5 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | Q436 | S434-Q436 WeakPolarHBondContact O-CG 3.39Å; S434-Q436 PolarHBondContact O-N 3.41Å; S434-Q436 VanDerWaalsContact O-N 3.11Å | ||
| 435 | Y | 94.4 | Very high | 94.1 | Very high | 96 Ų | 96 | 78.3 Ų | 78.3 | 38% | 0.376 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -61.3 | 114.3 | 177 | -162.2 | -104.5 | 0 | 0 | 0 | 110.5 | F452 W453 K454 F465 | Y435-F452 HydrophobicContact CD1-CB 4.09Å; Y435-F452 HydrophobicContact CD1-CD1 4.07Å; Y435-F452 HydrophobicContact CD1-CG 4.34Å; Y435-F452 HydrophobicContact CE1-CB 3.38Å; Y435-F452 AromaticContact CE1-CD1 3.75Å; Y435-F452 HydrophobicContact CE1-CD1 3.75Å; Y435-F452 HydrophobicContact CE1-CD2 4.47Å; Y435-F452 AromaticContact CE1-CG 3.63Å; Y435-F452 HydrophobicContact CE1-CG 3.63Å; Y435-F452 HydrophobicContact CE2-CB 3.88Å; Y435-F452 AromaticContact CZ-CG 3.99Å; Y435-F452 WeakPolarHBondContact OH-CB 3.33Å; Y435-W453 CarbonylContact C-O 3.47Å; Y435-W453 VanDerWaalsContact CA-O 3.29Å; Y435-W453 WeakPolarHBondContact CA-O 3.31Å; Y435-K454 HydrophobicContact CD2-CB 4.07Å; Y435-K454 HydrophobicContact CD2-CD 4.13Å; Y435-K454 HydrophobicContact CD2-CG 4.18Å; Y435-F465 HydrophobicContact CE2-CE1 4.34Å |
| 436 | Q | 96.9 | Very high | 94.1 | Very high | 81 Ų | 81 | 83 Ų | 83 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 161.9 | -173.7 | 66.6 | -173.8 | -35.7 | 0 | 0 | 111.2 | S434 F452 W453 | S434-Q436 WeakPolarHBondContact O-CG 3.39Å; S434-Q436 PolarHBondContact O-N 3.41Å; S434-Q436 VanDerWaalsContact O-N 3.11Å; Q436-F452 CarbonylContact O-C 2.98Å; Q436-F452 WeakPolarHBondContact O-CA 3.22Å; Q436-W453 HydrophobicContact CG-CZ2 4.39Å; Q436-W453 PolarHBondContact N-O 2.87Å; Q436-W453 VanDerWaalsContact NE2-CZ2 3.28Å; Q436-W453 VanDerWaalsContact O-CD1 3.31Å; Q436-W453 PolarHBondContact O-N 2.84Å |
| 437 | R | 97.5 | Very high | 94.1 | Very high | 151 Ų | 151 | 86.4 Ų | 86.4 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 142.4 | 176.5 | 63.8 | -174.2 | 178.9 | 177.4 | 0 | 111.3 | I449 G451 F452 | R437-I449 HydrophobicContact CB-CG2 4.18Å; R437-G451 WeakPolarHBondContact CA-O 3.37Å; R437-F452 HydrophobicContact CB-CD1 4.42Å; R437-F452 HydrophobicContact CB-CE1 4.34Å |
| 438 | W | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150 | 160.6 | 60.9 | -83 | 0 | 0 | 0 | 109.8 | Y440 G450 G451 T467 V468 A482 H485 L486 L496 | W438-Y440 HydrophobicContact CZ3-CD1 4.28Å; W438-Y440 HydrophobicContact CZ3-CG 4.33Å; W438-G450 WeakPolarHBondContact CZ2-O 3.32Å; W438-G450 PolarHBondContact O-N 3.37Å; W438-G451 PolarHBondContact N-O 3.29Å; W438-G451 VanDerWaalsContact NE1-C 3.33Å; W438-T467 PolarHBondContact NE1-O 3.48Å; W438-V468 HydrophobicContact CZ2-CG1 4.42Å; W438-V468 HydrophobicContact CZ2-CG2 4.13Å; W438-A482 HydrophobicContact CH2-CB 3.85Å; W438-A482 WeakPolarHBondContact CH2-O 3.48Å; W438-A482 HydrophobicContact CZ3-CB 4.47Å; W438-H485 AromaticContact CZ3-CD2 3.89Å; W438-L486 HydrophobicContact CH2-CB 4.16Å; W438-L486 HydrophobicContact CZ2-CD2 4.33Å; W438-L486 HydrophobicContact CZ3-CB 4.39Å; W438-L496 HydrophobicContact CB-CB 3.89Å |
| 439 | I | 96.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 86.5 Ų | 86.5 | 34% | 0.338 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.3 | -172.7 | -60.2 | 176.9 | 0 | 0 | 0 | 108.3 | L447 E448 H485 | I439-L447 HydrophobicContact CG2-CB 3.85Å; I439-L447 HydrophobicContact CG2-CD2 4.06Å; I439-L447 HydrophobicContact CG2-CG 4.37Å; I439-E448 WeakPolarHBondContact CA-O 3.47Å; I439-E448 WeakPolarHBondContact CG2-O 3.48Å; I439-H485 PolarHBondContact O-NE2 3.23Å |
| 440 | Y | 96.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 85.1 Ų | 85.1 | 10% | 0.102 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 164 | 172.8 | 78 | -70 | 0 | 0 | 0 | 110.6 | W438 L447 E448 A481 A482 | W438-Y440 HydrophobicContact CZ3-CD1 4.28Å; W438-Y440 HydrophobicContact CZ3-CG 4.33Å; Y440-L447 WeakPolarHBondContact O-CA 3.39Å; Y440-E448 HydrophobicContact CD1-CB 4.36Å; Y440-E448 WeakPolarHBondContact CD1-O 3.35Å; Y440-E448 HydrophobicContact CE1-CB 3.76Å; Y440-E448 PolarHBondContact N-O 2.92Å; Y440-E448 PolarHBondContact O-N 3.43Å; Y440-A481 HydrophobicContact CE2-CB 4.06Å; Y440-A482 HydrophobicContact CD1-CB 4.13Å; Y440-A482 HydrophobicContact CD2-CB 4.08Å; Y440-A482 HydrophobicContact CE1-CB 3.89Å; Y440-A482 HydrophobicContact CE2-CB 3.83Å; Y440-A482 HydrophobicContact CG-CB 4.22Å |
| 441 | K | 95 | Very high | 94.9 | Very high | 143 Ų | 143 | 77 Ų | 77 | 62% | 0.622 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.7 | 171.3 | -171.3 | 175.9 | -179.3 | 178.8 | 0 | 108.7 | G445 K446 L447 | K441-G445 VanDerWaalsContact CE-CA 3.43Å; K441-G445 VanDerWaalsContact CE-O 3.3Å; K441-G445 WeakPolarHBondContact CE-O 3.39Å; K441-K446 CarbonylContact C-O 3.58Å; K441-K446 WeakPolarHBondContact CA-O 3.49Å; K441-L447 HydrophobicContact CB-CD2 4.44Å |
| 442 | S | 92.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 74.3 Ų | 74.3 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | trans | -74.1 | 173.9 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | N444 G445 K446 E448 | S442-N444 PolarHBondContact O-N 3.3Å; S442-N444 PolarHBondContact OG-OD1 3.29Å; S442-G445 WeakPolarHBondContact O-CA 3.3Å; S442-G445 PolarHBondContact O-N 3.01Å; S442-K446 PolarHBondContact N-O 3.33Å; S442-K446 PolarHBondContact OG-O 2.88Å; S442-E448 VanDerWaalsContact CB-OE1 3.29Å; S442-E448 WeakPolarHBondContact CB-OE1 3.5Å; S442-E448 PolarHBondContact OG-OE1 3.13Å | ||
| 443 | E | 87.9 | Confident | 95.4 | Very high | 139 Ų | 139 | 70 Ų | 70 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.8 | -174.9 | -32.2 | -163.3 | 125.3 | 0 | 0 | 112.7 | Y111 G445 A481 | Y111-E443 WeakPolarHBondContact CE2-OE1 3.29Å; Y111-E443 WeakPolarHBondContact OH-CB 3.28Å; Y111-E443 WeakPolarHBondContact OH-CG 3.4Å; Y111-E443 PolarHBondContact OH-OE1 2.81Å; E443-G445 PolarHBondContact O-N 2.81Å; E443-A481 HydrophobicContact CG-CB 4.21Å |
| 444 | N | 91.1 | Very high | 95.6 | Very high | 106 Ų | 106 | 69 Ų | 69 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2.8 | 177.3 | 67.6 | 31.4 | 0 | 0 | 0 | 113 | S442 K446 | S442-N444 PolarHBondContact O-N 3.3Å; S442-N444 PolarHBondContact OG-OD1 3.29Å; N444-K446 WeakPolarHBondContact OD1-CB 3.38Å; N444-K446 WeakPolarHBondContact OD1-CG 3.4Å; N444-K446 PolarHBondContact OD1-N 2.78Å |
| 445 | G | 91.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 36% | 0.361 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 82.6 | 3.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | K441 S442 E443 | K441-G445 VanDerWaalsContact CE-CA 3.43Å; K441-G445 VanDerWaalsContact CE-O 3.3Å; K441-G445 WeakPolarHBondContact CE-O 3.39Å; S442-G445 WeakPolarHBondContact O-CA 3.3Å; S442-G445 PolarHBondContact O-N 3.01Å; E443-G445 PolarHBondContact O-N 2.81Å |
| 446 | K | 95.4 | Very high | 95.9 | Very high | 140 Ų | 140 | 61.3 Ų | 61.3 | 61% | 0.609 | 29% | 0.294 | S | S | * | . | trans | -83.2 | 153.5 | 177.4 | -64.5 | 175.1 | -177.2 | 178.3 | 0 | 111.4 | K441 S442 N444 | K441-K446 CarbonylContact C-O 3.58Å; K441-K446 WeakPolarHBondContact CA-O 3.49Å; S442-K446 PolarHBondContact N-O 3.33Å; S442-K446 PolarHBondContact OG-O 2.88Å; N444-K446 WeakPolarHBondContact OD1-CB 3.38Å; N444-K446 WeakPolarHBondContact OD1-CG 3.4Å; N444-K446 PolarHBondContact OD1-N 2.78Å | ||
| 447 | L | 96.4 | Very high | 95.7 | Very high | 136 Ų | 136 | 60.1 Ų | 60.1 | 71% | 0.712 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.3 | 171.5 | -64.9 | 179.1 | 0 | 0 | 0 | 109.6 | I439 Y440 K441 | I439-L447 HydrophobicContact CG2-CB 3.85Å; I439-L447 HydrophobicContact CG2-CD2 4.06Å; I439-L447 HydrophobicContact CG2-CG 4.37Å; Y440-L447 WeakPolarHBondContact O-CA 3.39Å; K441-L447 HydrophobicContact CB-CD2 4.44Å |
| 448 | E | 97 | Very high | 95.5 | Very high | 77 Ų | 77 | 54.9 Ų | 54.9 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.6 | -179.7 | -68.8 | -179.4 | -149.4 | 0 | 0 | 110.5 | I439 Y440 S442 G450 | I439-E448 WeakPolarHBondContact CA-O 3.47Å; I439-E448 WeakPolarHBondContact CG2-O 3.48Å; Y440-E448 HydrophobicContact CD1-CB 4.36Å; Y440-E448 WeakPolarHBondContact CD1-O 3.35Å; Y440-E448 HydrophobicContact CE1-CB 3.76Å; Y440-E448 PolarHBondContact N-O 2.92Å; Y440-E448 PolarHBondContact O-N 3.43Å; S442-E448 VanDerWaalsContact CB-OE1 3.29Å; S442-E448 WeakPolarHBondContact CB-OE1 3.5Å; S442-E448 PolarHBondContact OG-OE1 3.13Å; E448-G450 PolarHBondContact O-N 3.19Å |
| 449 | I | 97.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 113.3 | 174.9 | -63.9 | 173.4 | 0 | 0 | 0 | 107.6 | R437 G451 | R437-I449 HydrophobicContact CB-CG2 4.18Å; I449-G451 VanDerWaalsContact C-N 3.33Å |
| 450 | G | 97.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -25.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W438 E448 V468 R469 | W438-G450 WeakPolarHBondContact CZ2-O 3.32Å; W438-G450 PolarHBondContact O-N 3.37Å; E448-G450 PolarHBondContact O-N 3.19Å; G450-V468 CarbonylContact O-C 3.54Å; G450-V468 WeakPolarHBondContact O-CA 3.48Å; G450-R469 WeakPolarHBondContact O-CB 3.47Å; G450-R469 PolarHBondContact O-N 3.17Å |
| 451 | G | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -151.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R437 W438 I449 T467 | R437-G451 WeakPolarHBondContact CA-O 3.37Å; W438-G451 PolarHBondContact N-O 3.29Å; W438-G451 VanDerWaalsContact NE1-C 3.33Å; I449-G451 VanDerWaalsContact C-N 3.33Å; G451-T467 WeakPolarHBondContact CA-O 3.37Å |
| 452 | F | 98.4 | Very high | 95 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 37% | 0.373 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.8 | 178.8 | -66.6 | -97.8 | 0 | 0 | 0 | 110.6 | Y435 Q436 R437 A466 T467 | Y435-F452 HydrophobicContact CD1-CB 4.09Å; Y435-F452 HydrophobicContact CD1-CD1 4.07Å; Y435-F452 HydrophobicContact CD1-CG 4.34Å; Y435-F452 HydrophobicContact CE1-CB 3.38Å; Y435-F452 AromaticContact CE1-CD1 3.75Å; Y435-F452 HydrophobicContact CE1-CD1 3.75Å; Y435-F452 HydrophobicContact CE1-CD2 4.47Å; Y435-F452 AromaticContact CE1-CG 3.63Å; Y435-F452 HydrophobicContact CE1-CG 3.63Å; Y435-F452 HydrophobicContact CE2-CB 3.88Å; Y435-F452 AromaticContact CZ-CG 3.99Å; Y435-F452 WeakPolarHBondContact OH-CB 3.33Å; Q436-F452 CarbonylContact O-C 2.98Å; Q436-F452 WeakPolarHBondContact O-CA 3.22Å; R437-F452 HydrophobicContact CB-CD1 4.42Å; R437-F452 HydrophobicContact CB-CE1 4.34Å; F452-A466 CarbonylContact O-C 3.52Å; F452-A466 VanDerWaalsContact O-CA 3.3Å; F452-A466 WeakPolarHBondContact O-CA 3.35Å; F452-T467 PolarHBondContact N-OG1 2.52Å; F452-T467 PolarHBondContact O-N 3.08Å; F452-T467 PolarHBondContact O-OG1 3.01Å |
| 453 | W | 98 | Very high | 95.2 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.045 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 155.6 | 178.7 | 73.3 | -75.4 | 0 | 0 | 0 | 111.5 | D433 Y435 Q436 T464 F465 A466 L496 | D433-W453 HydrophobicContact CB-CE3 4.43Å; D433-W453 HydrophobicContact CB-CH2 3.66Å; D433-W453 HydrophobicContact CB-CZ2 4.39Å; D433-W453 HydrophobicContact CB-CZ3 3.69Å; D433-W453 VanDerWaalsContact CG-CH2 3.4Å; D433-W453 WeakPolarHBondContact OD2-CH2 3.48Å; D433-W453 WeakPolarHBondContact OD2-CZ3 3.42Å; Y435-W453 CarbonylContact C-O 3.47Å; Y435-W453 VanDerWaalsContact CA-O 3.29Å; Y435-W453 WeakPolarHBondContact CA-O 3.31Å; Q436-W453 HydrophobicContact CG-CZ2 4.39Å; Q436-W453 PolarHBondContact N-O 2.87Å; Q436-W453 VanDerWaalsContact NE2-CZ2 3.28Å; Q436-W453 VanDerWaalsContact O-CD1 3.31Å; Q436-W453 PolarHBondContact O-N 2.84Å; W453-T464 HydrophobicContact CE3-CG2 3.98Å; W453-F465 CarbonylContact C-O 3.54Å; W453-F465 WeakPolarHBondContact CA-O 3.44Å; W453-F465 VanDerWaalsContact CB-O 3.3Å; W453-F465 WeakPolarHBondContact CB-O 3.5Å; W453-A466 HydrophobicContact CB-CB 3.95Å; W453-L496 HydrophobicContact CB-CD1 4.26Å; W453-L496 HydrophobicContact CD2-CB 4.33Å; W453-L496 HydrophobicContact CD2-CD1 4.16Å; W453-L496 HydrophobicContact CE3-CD1 4.48Å; W453-L496 HydrophobicContact CG-CD1 4.07Å; W453-L496 HydrophobicContact CZ2-CB 4.36Å |
| 454 | K | 97.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 162.4 | 167.8 | 62.5 | -175.2 | -177.4 | -173.5 | 0 | 108.5 | D421 V424 S425 Y435 F456 F465 | D421-K454 PolarHBondContact O-NZ 3.26Å; D421-K454 WeakPolarHBondContact OD1-CE 3.29Å; D421-K454 IonicContact OD1-NZ 2.73Å; D421-K454 PolarHBondContact OD1-NZ 3.34Å; D421-K454 IonicContact OD2-NZ 2.63Å; D421-K454 PolarHBondContact OD2-NZ 2.89Å; V424-K454 VanDerWaalsContact CG2-CE 3.47Å; S425-K454 PolarHBondContact OG-NZ 3.33Å; Y435-K454 HydrophobicContact CD2-CB 4.07Å; Y435-K454 HydrophobicContact CD2-CD 4.13Å; Y435-K454 HydrophobicContact CD2-CG 4.18Å; K454-F456 HydrophobicContact CD-CE2 4.04Å; K454-F456 HydrophobicContact CD-CZ 4.05Å; K454-F456 HydrophobicContact CG-CE2 4.04Å; K454-F465 HydrophobicContact CD-CD1 4.48Å; K454-F465 HydrophobicContact CG-CB 4.18Å; K454-F465 HydrophobicContact CG-CD1 4.14Å; K454-F465 PolarHBondContact N-O 2.76Å; K454-F465 PolarHBondContact O-N 2.97Å |
| 455 | S | 97 | Very high | 96 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158 | 175.3 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | R431 H432 D433 L463 | R431-S455 WeakPolarHBondContact CA-O 3.45Å; R431-S455 WeakPolarHBondContact CG-O 3.45Å; H432-S455 PolarHBondContact N-O 3.22Å; D433-S455 WeakPolarHBondContact CB-OG 3.29Å; D433-S455 VanDerWaalsContact CG-OG 3.22Å; D433-S455 PolarHBondContact N-O 3.11Å; D433-S455 PolarHBondContact N-OG 3.45Å; D433-S455 VanDerWaalsContact N-OG 3.11Å; D433-S455 PolarHBondContact O-N 3.22Å; D433-S455 PolarHBondContact OD2-OG 3.37Å; S455-L463 CarbonylContact C-O 3.53Å; S455-L463 WeakPolarHBondContact CA-O 3.39Å; S455-L463 WeakPolarHBondContact CB-O 3.04Å |
| 456 | F | 96.2 | Very high | 96.4 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143 | 175.6 | -54.4 | -98.4 | 0 | 0 | 0 | 108.3 | V424 F429 K430 R431 K454 K462 L463 | V424-F456 HydrophobicContact CB-CE2 4.09Å; V424-F456 HydrophobicContact CG2-CE2 3.84Å; V424-F456 HydrophobicContact CG2-CZ 4.33Å; F429-F456 HydrophobicContact CB-CB 3.93Å; F429-F456 WeakPolarHBondContact O-CD1 3.26Å; K430-F456 WeakPolarHBondContact O-CA 3.45Å; R431-F456 HydrophobicContact CB-CD1 4.14Å; R431-F456 HydrophobicContact CB-CE1 4.18Å; R431-F456 HydrophobicContact CG-CE1 4.43Å; K454-F456 HydrophobicContact CD-CE2 4.04Å; K454-F456 HydrophobicContact CD-CZ 4.05Å; K454-F456 HydrophobicContact CG-CE2 4.04Å; F456-K462 CarbonylContact O-C 3.56Å; F456-K462 WeakPolarHBondContact O-CA 3.41Å; F456-L463 HydrophobicContact CB-CB 4.49Å; F456-L463 HydrophobicContact CD2-CD2 3.7Å; F456-L463 HydrophobicContact CE2-CD2 4.32Å; F456-L463 PolarHBondContact N-O 3.08Å; F456-L463 PolarHBondContact O-N 2.88Å |
| 457 | I | 92.9 | Very high | 96.5 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138 | -178.2 | -160.5 | 167.8 | 0 | 0 | 0 | 110.8 | K430 H432 K459 V461 | K430-I457 PolarHBondContact O-N 3.07Å; H432-I457 HydrophobicContact CB-CB 3.99Å; H432-I457 HydrophobicContact CB-CG2 4.07Å; I457-K459 WeakPolarHBondContact CG1-O 3.22Å; I457-V461 WeakPolarHBondContact CG1-O 3.32Å |
| 458 | H | 94 | Very high | 96.7 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.19 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 105 | 167.6 | -175.6 | 66.1 | 0 | 0 | 0 | 109.8 | L398 Q401 F429 N460 V461 | L398-H458 HydrophobicContact CB-CB 4.41Å; L398-H458 PolarHBondContact O-CD2 3.01Å; Q401-H458 PolarHBondContact NE2-O 3.09Å; F429-H458 HydrophobicContact CD1-CB 3.7Å; F429-H458 AromaticContact CD1-CG 3.9Å; F429-H458 AromaticContact CD1-ND1 3.72Å; F429-H458 HydrophobicContact CE1-CB 3.71Å; F429-H458 AromaticContact CE1-CG 3.52Å; F429-H458 AromaticContact CE1-ND1 3.41Å; F429-H458 WeakPolarHBondContact CE1-ND1 3.15Å; H458-N460 PolarHBondContact O-N 3.37Å; H458-N460 VanDerWaalsContact O-N 3.13Å; H458-V461 PolarHBondContact N-O 2.8Å; H458-V461 WeakPolarHBondContact O-CG2 3.45Å; H458-V461 PolarHBondContact O-N 3.05Å |
| 459 | K | 93.7 | Very high | 96.7 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 64% | 0.639 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -111.2 | -170.9 | -57.1 | 175.3 | 178.4 | 178.3 | 0 | 110.2 | I457 | I457-K459 WeakPolarHBondContact CG1-O 3.22Š|
| 460 | N | 92.1 | Very high | 96.8 | Very high | 152 Ų | 152 | 37.8 Ų | 37.8 | 81% | 0.813 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -0.4 | -172.9 | -59.8 | -24.4 | 0 | 0 | 0 | 113.6 | Q401 H458 | Q401-N460 VanDerWaalsContact OE1-N 3.16Å; H458-N460 PolarHBondContact O-N 3.37Å; H458-N460 VanDerWaalsContact O-N 3.13Å |
| 461 | V | 94.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149.2 | -178 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | L398 Q401 I457 H458 | L398-V461 HydrophobicContact CD2-CG2 4.2Å; Q401-V461 HydrophobicContact CB-CG1 4.08Å; Q401-V461 VanDerWaalsContact O-CG1 3.26Å; Q401-V461 WeakPolarHBondContact O-CG1 3.14Å; I457-V461 WeakPolarHBondContact CG1-O 3.32Å; H458-V461 PolarHBondContact N-O 2.8Å; H458-V461 WeakPolarHBondContact O-CG2 3.45Å; H458-V461 PolarHBondContact O-N 3.05Å |
| 462 | K | 94.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 37.6 Ų | 37.6 | 28% | 0.278 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136 | -177.5 | -172.3 | 176.2 | -73.9 | -166.3 | 0 | 110.1 | P403 I404 D433 F456 | P403-K462 WeakPolarHBondContact CA-O 3.04Å; I404-K462 PolarHBondContact N-O 2.9Å; I404-K462 VanDerWaalsContact N-O 3.13Å; D433-K462 IonicContact OD2-NZ 3.38Å; D433-K462 PolarHBondContact OD2-NZ 3.4Å; F456-K462 CarbonylContact O-C 3.56Å; F456-K462 WeakPolarHBondContact O-CA 3.41Å |
| 463 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.4 | 155.8 | -179.7 | 146.8 | 0 | 0 | 0 | 107.5 | L398 I404 V424 L427 S455 F456 | L398-L463 HydrophobicContact CD1-CB 4.12Å; L398-L463 HydrophobicContact CD1-CD1 3.85Å; L398-L463 HydrophobicContact CD2-CB 4Å; I404-L463 HydrophobicContact CB-CB 4.47Å; I404-L463 HydrophobicContact CB-CD1 4.24Å; I404-L463 HydrophobicContact CB-CG 4.22Å; I404-L463 HydrophobicContact CD1-CD1 4.41Å; I404-L463 HydrophobicContact CG2-CD1 4.2Å; I404-L463 HydrophobicContact CG2-CG 4.37Å; I404-L463 CarbonylContact O-C 3.58Å; I404-L463 WeakPolarHBondContact O-CA 3.47Å; V424-L463 HydrophobicContact CB-CD2 3.92Å; V424-L463 HydrophobicContact CG1-CD2 3.83Å; L427-L463 HydrophobicContact CD1-CD1 3.37Å; S455-L463 CarbonylContact C-O 3.53Å; S455-L463 WeakPolarHBondContact CA-O 3.39Å; S455-L463 WeakPolarHBondContact CB-O 3.04Å; F456-L463 HydrophobicContact CB-CB 4.49Å; F456-L463 HydrophobicContact CD2-CD2 3.7Å; F456-L463 HydrophobicContact CE2-CD2 4.32Å; F456-L463 PolarHBondContact N-O 3.08Å; F456-L463 PolarHBondContact O-N 2.88Å |
| 464 | T | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129.2 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 108.7 | I404 L405 I406 W453 L496 | I404-T464 PolarHBondContact O-N 2.7Å; L405-T464 WeakPolarHBondContact CA-O 3.32Å; L405-T464 HydrophobicContact CD1-CG2 3.82Å; I406-T464 PolarHBondContact N-O 3.36Å; W453-T464 HydrophobicContact CE3-CG2 3.98Å; T464-L496 HydrophobicContact CG2-CD1 4.03Å |
| 465 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.8 | 167.3 | 171.1 | -101.8 | 0 | 0 | 0 | 108.2 | I406 N408 F417 D420 D421 V424 Y435 W453 K454 T467 | I406-F465 HydrophobicContact CB-CD2 4.35Å; I406-F465 HydrophobicContact CG2-CD2 3.89Å; I406-F465 HydrophobicContact CG2-CE2 4.31Å; I406-F465 CarbonylContact O-C 3.6Å; I406-F465 VanDerWaalsContact O-CA 3.3Å; I406-F465 WeakPolarHBondContact O-CA 3.34Å; N408-F465 WeakPolarHBondContact OD1-CE2 3.29Å; F417-F465 HydrophobicContact CB-CZ 4.4Å; F417-F465 WeakPolarHBondContact O-CZ 3.45Å; D420-F465 HydrophobicContact CB-CE2 3.85Å; D421-F465 HydrophobicContact CB-CE1 3.81Å; D421-F465 HydrophobicContact CB-CE2 4.48Å; D421-F465 HydrophobicContact CB-CZ 3.75Å; D421-F465 WeakPolarHBondContact OD1-CD1 3.47Å; D421-F465 WeakPolarHBondContact OD1-CE1 3.45Å; V424-F465 HydrophobicContact CG1-CB 4.3Å; V424-F465 HydrophobicContact CG1-CD2 4.34Å; V424-F465 HydrophobicContact CG2-CB 3.95Å; V424-F465 HydrophobicContact CG2-CD2 4.34Å; V424-F465 HydrophobicContact CG2-CG 4.05Å; Y435-F465 HydrophobicContact CE2-CE1 4.34Å; W453-F465 CarbonylContact C-O 3.54Å; W453-F465 WeakPolarHBondContact CA-O 3.44Å; W453-F465 VanDerWaalsContact CB-O 3.3Å; W453-F465 WeakPolarHBondContact CB-O 3.5Å; K454-F465 HydrophobicContact CD-CD1 4.48Å; K454-F465 HydrophobicContact CG-CB 4.18Å; K454-F465 HydrophobicContact CG-CD1 4.14Å; K454-F465 PolarHBondContact N-O 2.76Å; K454-F465 PolarHBondContact O-N 2.97Å; F465-T467 HydrophobicContact CE1-CG2 4.16Å; F465-T467 HydrophobicContact CZ-CG2 4.2Å |
| 466 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L405 I406 Y407 N408 F452 W453 L486 | L405-A466 HydrophobicContact CD1-CB 4.49Å; I406-A466 PolarHBondContact O-N 2.96Å; Y407-A466 CarbonylContact C-O 3.56Å; Y407-A466 WeakPolarHBondContact CA-O 3.26Å; N408-A466 PolarHBondContact N-O 3.12Å; F452-A466 CarbonylContact O-C 3.52Å; F452-A466 VanDerWaalsContact O-CA 3.3Å; F452-A466 WeakPolarHBondContact O-CA 3.35Å; W453-A466 HydrophobicContact CB-CB 3.95Å; A466-L486 HydrophobicContact CB-CD1 4.3Å; A466-L486 HydrophobicContact CB-CD2 4.18Å |
| 467 | T | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 150.3 | 163.2 | 66.5 | 0 | 0 | 0 | 0 | 110 | N408 F417 W438 G451 F452 F465 | N408-T467 CarbonylContact O-C 3.55Å; N408-T467 VanDerWaalsContact O-CA 3.24Å; N408-T467 WeakPolarHBondContact O-CA 3.23Å; F417-T467 HydrophobicContact CB-CG2 4.1Å; F417-T467 HydrophobicContact CD2-CG2 3.73Å; F417-T467 HydrophobicContact CE2-CG2 4.49Å; F417-T467 HydrophobicContact CG-CG2 4.1Å; W438-T467 PolarHBondContact NE1-O 3.48Å; G451-T467 WeakPolarHBondContact CA-O 3.37Å; F452-T467 PolarHBondContact N-OG1 2.52Å; F452-T467 PolarHBondContact O-N 3.08Å; F452-T467 PolarHBondContact O-OG1 3.01Å; F465-T467 HydrophobicContact CE1-CG2 4.16Å; F465-T467 HydrophobicContact CZ-CG2 4.2Å |
| 468 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 109.1 | 170.1 | -172 | 0 | 0 | 0 | 0 | 108.3 | N408 D410 W438 G450 G470 A471 V475 K479 A482 L486 | N408-V468 PolarHBondContact O-N 2.73Å; D410-V468 PolarHBondContact N-O 2.86Å; W438-V468 HydrophobicContact CZ2-CG1 4.42Å; W438-V468 HydrophobicContact CZ2-CG2 4.13Å; G450-V468 CarbonylContact O-C 3.54Å; G450-V468 WeakPolarHBondContact O-CA 3.48Å; V468-G470 PolarHBondContact O-N 3.35Å; V468-A471 HydrophobicContact CB-CB 4.05Å; V468-A471 HydrophobicContact CG1-CB 3.94Å; V468-A471 PolarHBondContact O-N 3Å; V468-V475 HydrophobicContact CB-CG1 3.7Å; V468-V475 HydrophobicContact CG1-CG1 3.78Å; V468-V475 HydrophobicContact CG2-CG1 3.62Å; V468-K479 HydrophobicContact CG1-CB 3.84Å; V468-K479 HydrophobicContact CG1-CG 4.1Å; V468-A482 HydrophobicContact CG1-CB 4.3Å; V468-L486 HydrophobicContact CG2-CD2 3.9Å |
| 469 | R | 98.5 | Very high | 97.2 | Very high | 149 Ų | 149 | 37.4 Ų | 37.4 | 56% | 0.562 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 122.1 | -168.8 | -178.1 | -175.3 | 170.1 | -168.1 | -3.3 | 111.7 | D410 G450 A471 K479 | D410-R469 WeakPolarHBondContact OD2-CA 2.93Å; G450-R469 WeakPolarHBondContact O-CB 3.47Å; G450-R469 PolarHBondContact O-N 3.17Å; R469-A471 VanDerWaalsContact C-N 3.27Å; R469-K479 VanDerWaalsContact O-CE 3.3Å; R469-K479 WeakPolarHBondContact O-CE 3.28Å |
| 470 | G | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 15.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D410 V468 K479 | D410-G470 PolarHBondContact OD1-N 3.16Å; V468-G470 PolarHBondContact O-N 3.35Å; G470-K479 VanDerWaalsContact C-CE 3.41Å; G470-K479 WeakPolarHBondContact O-CE 3.44Å |
| 471 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -93.8 | 145.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G409 D410 V411 V468 R469 V475 D478 K479 | G409-A471 CarbonylContact C-O 3.47Å; G409-A471 WeakPolarHBondContact CA-O 3.09Å; D410-A471 PolarHBondContact N-O 2.92Å; D410-A471 VanDerWaalsContact N-O 3.09Å; V411-A471 VanDerWaalsContact CG2-C 3.48Å; V411-A471 WeakPolarHBondContact CG2-O 3.43Å; V411-A471 PolarHBondContact N-O 3.42Å; V468-A471 HydrophobicContact CB-CB 4.05Å; V468-A471 HydrophobicContact CG1-CB 3.94Å; V468-A471 PolarHBondContact O-N 3Å; R469-A471 VanDerWaalsContact C-N 3.27Å; A471-V475 HydrophobicContact CB-CB 4.37Å; A471-V475 HydrophobicContact CB-CG1 3.99Å; A471-V475 HydrophobicContact CB-CG2 4.22Å; A471-D478 HydrophobicContact CB-CB 4.07Å; A471-K479 HydrophobicContact CB-CB 4.24Å; A471-K479 HydrophobicContact CB-CG 3.67Å | ||
| 472 | G | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -88.3 | -146.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y273 G409 V475 D478 | Y273-G472 CarbonylContact O-C 3.54Å; Y273-G472 VanDerWaalsContact O-C 3.28Å; Y273-G472 WeakPolarHBondContact O-CA 3.39Å; G409-G472 WeakPolarHBondContact CA-O 3.13Å; G472-V475 WeakPolarHBondContact O-CG2 3.49Å; G472-D478 VanDerWaalsContact CA-OD2 3.25Å; G472-D478 WeakPolarHBondContact CA-OD2 3.35Å; G472-D478 PolarHBondContact N-OD2 2.88Å | ||
| 473 | H | 98.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -67 | -47 | -174.3 | -159 | 63.8 | 0 | 0 | 0 | 111.4 | E173 S174 N202 Y273 D412 V475 | E173-H473 IonicContact OE1-CD2 3.3Å; S174-H473 WeakPolarHBondContact CB-NE2 3.46Å; S174-H473 PolarHBondContact OG-CE1 3.11Å; S174-H473 PolarHBondContact OG-NE2 3.38Å; N202-H473 PolarHBondContact OD1-O 2.96Å; Y273-H473 HydrophobicContact CD1-CB 3.63Å; Y273-H473 AromaticContact CD1-CD2 3.7Å; Y273-H473 AromaticContact CD1-CG 3.62Å; Y273-H473 AromaticContact CE1-CD2 3.83Å; Y273-H473 HydrophobicContact CG-CB 3.92Å; Y273-H473 PolarHBondContact O-N 3.5Å; D412-H473 HydrophobicContact CB-CB 4.5Å; D412-H473 VanDerWaalsContact CG-ND1 3.28Å; D412-H473 IonicContact OD1-CG 2.52Å; D412-H473 IonicContact OD1-ND1 2.99Å; D412-H473 PolarHBondContact OD1-ND1 3.27Å; D412-H473 IonicContact OD2-CE1 3.64Å; D412-H473 IonicContact OD2-CG 2.92Å; D412-H473 IonicContact OD2-ND1 2.75Å; D412-H473 PolarHBondContact OD2-ND1 3.22Å; H473-V475 PolarHBondContact O-N 3.1Å; H473-V475 VanDerWaalsContact O-N 3.17Å |
| 474 | M | 97.5 | Very high | 98 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 5% | 0.054 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -89.6 | 72.7 | -178.5 | -65 | 156.4 | -68.3 | 0 | 0 | 109.8 | E94 E173 Y273 P476 R477 D478 | E94-M474 HydrophobicContact CG-CB 4.38Å; E173-M474 WeakPolarHBondContact OE1-CA 3.34Å; E173-M474 VanDerWaalsContact OE1-CG 3.28Å; E173-M474 WeakPolarHBondContact OE1-CG 3.45Å; E173-M474 WeakPolarHBondContact OE2-CA 3.31Å; Y273-M474 HydrophobicContact CD2-CE 4.21Å; Y273-M474 HydrophobicContact CG-CE 4.4Å; M474-P476 VanDerWaalsContact C-CD 3.43Å; M474-R477 HydrophobicContact CB-CB 3.99Å; M474-R477 WeakPolarHBondContact O-CA 3.22Å; M474-R477 VanDerWaalsContact O-CB 3.26Å; M474-R477 WeakPolarHBondContact O-CB 3.47Å; M474-R477 PolarHBondContact O-N 3.25Å; M474-R477 PolarHBondContact SD-NH1 3.49Å; M474-R477 PolarHBondContact SD-NH2 3.29Å; M474-D478 PolarHBondContact O-N 3.09Å; M474-D478 VanDerWaalsContact O-N 3.14Å |
| 475 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.1 | -42.6 | -170.3 | -179.5 | 0 | 0 | 0 | 0 | 113.9 | N202 Y407 V468 A471 G472 H473 R477 D478 K479 M483 | N202-V475 WeakPolarHBondContact OD1-CG2 3.45Å; Y407-V475 HydrophobicContact CD2-CB 4.15Å; Y407-V475 HydrophobicContact CD2-CG1 4.18Å; Y407-V475 HydrophobicContact CD2-CG2 4.05Å; Y407-V475 HydrophobicContact CE2-CB 3.9Å; Y407-V475 HydrophobicContact CE2-CG1 4.27Å; Y407-V475 HydrophobicContact CE2-CG2 4.08Å; V468-V475 HydrophobicContact CB-CG1 3.7Å; V468-V475 HydrophobicContact CG1-CG1 3.78Å; V468-V475 HydrophobicContact CG2-CG1 3.62Å; A471-V475 HydrophobicContact CB-CB 4.37Å; A471-V475 HydrophobicContact CB-CG1 3.99Å; A471-V475 HydrophobicContact CB-CG2 4.22Å; G472-V475 WeakPolarHBondContact O-CG2 3.49Å; H473-V475 PolarHBondContact O-N 3.1Å; H473-V475 VanDerWaalsContact O-N 3.17Å; V475-R477 PolarHBondContact O-N 3.48Å; V475-D478 PolarHBondContact O-N 3.16Å; V475-K479 PolarHBondContact O-N 3.27Å; V475-M483 HydrophobicContact CB-SD 4.3Å; V475-M483 HydrophobicContact CG1-CB 4.14Å; V475-M483 HydrophobicContact CG1-CG 4.03Å; V475-M483 HydrophobicContact CG1-SD 3.58Å; V475-M483 VanDerWaalsContact CG1-SD 3.58Å |
| 476 | P | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.2 | -25.1 | 178.2 | -12.8 | 26 | 0 | 0 | 0 | 112.8 | W78 E94 N95 W113 M474 P480 M483 | W78-P476 HydrophobicContact CH2-CG 4.26Å; E94-P476 HydrophobicContact CB-CB 4.01Å; E94-P476 HydrophobicContact CB-CG 4.21Å; N95-P476 HydrophobicContact CB-CB 3.96Å; N95-P476 HydrophobicContact CB-CG 4.36Å; W113-P476 HydrophobicContact CZ2-CG 4.37Å; M474-P476 VanDerWaalsContact C-CD 3.43Å; P476-P480 WeakPolarHBondContact O-CA 3.45Å; P476-P480 VanDerWaalsContact O-CB 3.27Å; P476-P480 WeakPolarHBondContact O-CB 3.38Å; P476-M483 HydrophobicContact CB-CG 4.09Å; P476-M483 HydrophobicContact CG-CG 3.99Å |
| 477 | R | 95.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 24.8 Ų | 24.8 | 25% | 0.249 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.5 | -49 | 174.3 | -173.8 | -173.9 | -61.9 | 176.7 | 5.8 | 111.7 | E89 T93 E94 D344 M474 V475 | E89-R477 IonicContact OE1-NH2 3.24Å; E89-R477 PolarHBondContact OE1-NH2 2.96Å; T93-R477 VanDerWaalsContact CB-NH2 3.31Å; T93-R477 WeakPolarHBondContact O-CB 3.49Å; T93-R477 VanDerWaalsContact O-CG 3.28Å; T93-R477 WeakPolarHBondContact O-CG 3.46Å; T93-R477 PolarHBondContact O-NE 3.4Å; T93-R477 PolarHBondContact OG1-NH2 3.44Å; E94-R477 HydrophobicContact CG-CB 4.46Å; D344-R477 IonicContact OD1-NH1 3.91Å; D344-R477 IonicContact OD2-CZ 2.97Å; D344-R477 IonicContact OD2-NH1 2.76Å; D344-R477 PolarHBondContact OD2-NH1 2.82Å; M474-R477 HydrophobicContact CB-CB 3.99Å; M474-R477 WeakPolarHBondContact O-CA 3.22Å; M474-R477 VanDerWaalsContact O-CB 3.26Å; M474-R477 WeakPolarHBondContact O-CB 3.47Å; M474-R477 PolarHBondContact O-N 3.25Å; M474-R477 PolarHBondContact SD-NH1 3.49Å; M474-R477 PolarHBondContact SD-NH2 3.29Å; V475-R477 PolarHBondContact O-N 3.48Å |
| 478 | D | 96.9 | Very high | 97.8 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 23% | 0.23 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.1 | -34 | -171.2 | -69.8 | -5.3 | 0 | 0 | 0 | 113.4 | N274 A471 G472 M474 V475 | N274-D478 PolarHBondContact ND2-OD2 3.31Å; A471-D478 HydrophobicContact CB-CB 4.07Å; G472-D478 VanDerWaalsContact CA-OD2 3.25Å; G472-D478 WeakPolarHBondContact CA-OD2 3.35Å; G472-D478 PolarHBondContact N-OD2 2.88Å; M474-D478 PolarHBondContact O-N 3.09Å; M474-D478 VanDerWaalsContact O-N 3.14Å; V475-D478 PolarHBondContact O-N 3.16Å |
| 479 | K | 97.5 | Very high | 97.8 | Very high | 77 Ų | 77 | 27.5 Ų | 27.5 | 34% | 0.335 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -135.5 | 61.8 | -177.8 | -62.1 | -64.9 | 173.5 | -162.3 | 0 | 111.5 | V468 R469 G470 A471 V475 A481 A482 M483 | V468-K479 HydrophobicContact CG1-CB 3.84Å; V468-K479 HydrophobicContact CG1-CG 4.1Å; R469-K479 VanDerWaalsContact O-CE 3.3Å; R469-K479 WeakPolarHBondContact O-CE 3.28Å; G470-K479 VanDerWaalsContact C-CE 3.41Å; G470-K479 WeakPolarHBondContact O-CE 3.44Å; A471-K479 HydrophobicContact CB-CB 4.24Å; A471-K479 HydrophobicContact CB-CG 3.67Å; V475-K479 PolarHBondContact O-N 3.27Å; K479-A481 PolarHBondContact O-N 3.37Å; K479-A482 HydrophobicContact CB-CB 4.12Å; K479-A482 PolarHBondContact O-N 3.3Å; K479-M483 WeakPolarHBondContact O-CB 3.46Å; K479-M483 PolarHBondContact O-N 3.21Å |
| 480 | P | 97.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 21.7 Ų | 21.7 | 23% | 0.234 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | -169.9 | 23.1 | -34.8 | 0 | 0 | 0 | 113.3 | Y111 P476 F484 | Y111-P480 HydrophobicContact CD2-CB 3.58Å; Y111-P480 HydrophobicContact CD2-CG 3.98Å; Y111-P480 HydrophobicContact CE2-CB 4.41Å; Y111-P480 HydrophobicContact CE2-CG 4.38Å; Y111-P480 HydrophobicContact CG-CB 3.94Å; P476-P480 WeakPolarHBondContact O-CA 3.45Å; P476-P480 VanDerWaalsContact O-CB 3.27Å; P476-P480 WeakPolarHBondContact O-CB 3.38Å; P480-F484 WeakPolarHBondContact O-CB 3.38Å; P480-F484 PolarHBondContact O-N 2.89Å |
| 481 | A | 97.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y111 Y440 E443 K479 H485 | Y111-A481 HydrophobicContact CD1-CB 4.14Å; Y111-A481 HydrophobicContact CE1-CB 3.63Å; Y111-A481 HydrophobicContact CE2-CB 4.27Å; Y440-A481 HydrophobicContact CE2-CB 4.06Å; E443-A481 HydrophobicContact CG-CB 4.21Å; K479-A481 PolarHBondContact O-N 3.37Å; A481-H485 PolarHBondContact O-N 3.06Å; A481-H485 VanDerWaalsContact O-N 3.15Å |
| 482 | A | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.3 | -44.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W438 Y440 V468 K479 H485 L486 | W438-A482 HydrophobicContact CH2-CB 3.85Å; W438-A482 WeakPolarHBondContact CH2-O 3.48Å; W438-A482 HydrophobicContact CZ3-CB 4.47Å; Y440-A482 HydrophobicContact CD1-CB 4.13Å; Y440-A482 HydrophobicContact CD2-CB 4.08Å; Y440-A482 HydrophobicContact CE1-CB 3.89Å; Y440-A482 HydrophobicContact CE2-CB 3.83Å; Y440-A482 HydrophobicContact CG-CB 4.22Å; V468-A482 HydrophobicContact CG1-CB 4.3Å; K479-A482 HydrophobicContact CB-CB 4.12Å; K479-A482 PolarHBondContact O-N 3.3Å; A482-H485 PolarHBondContact O-N 2.91Å; A482-L486 PolarHBondContact O-N 2.72Å |
| 483 | M | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.4 | -169.6 | 59 | -123.6 | 0 | 0 | 111.9 | W113 Y407 V475 P476 K479 H485 L486 I487 | W113-M483 HydrophobicContact CH2-CE 4.48Å; W113-M483 HydrophobicContact CZ2-CE 3.97Å; W113-M483 HydrophobicContact CZ2-CG 4.19Å; Y407-M483 HydrophobicContact CD1-CE 4.05Å; Y407-M483 HydrophobicContact CD2-CE 4.13Å; Y407-M483 HydrophobicContact CD2-SD 3.64Å; Y407-M483 HydrophobicContact CE1-CE 3.87Å; Y407-M483 HydrophobicContact CE2-CE 3.97Å; Y407-M483 HydrophobicContact CE2-SD 3.54Å; Y407-M483 VanDerWaalsContact CE2-SD 3.54Å; Y407-M483 HydrophobicContact CG-CE 4.18Å; Y407-M483 HydrophobicContact CG-SD 4.21Å; V475-M483 HydrophobicContact CB-SD 4.3Å; V475-M483 HydrophobicContact CG1-CB 4.14Å; V475-M483 HydrophobicContact CG1-CG 4.03Å; V475-M483 HydrophobicContact CG1-SD 3.58Å; V475-M483 VanDerWaalsContact CG1-SD 3.58Å; P476-M483 HydrophobicContact CB-CG 4.09Å; P476-M483 HydrophobicContact CG-CG 3.99Å; K479-M483 WeakPolarHBondContact O-CB 3.46Å; K479-M483 PolarHBondContact O-N 3.21Å; M483-H485 VanDerWaalsContact C-N 3.31Å; M483-H485 PolarHBondContact O-N 3.12Å; M483-L486 HydrophobicContact CE-CB 4.08Å; M483-L486 HydrophobicContact CE-CD2 4Å; M483-L486 HydrophobicContact CE-CG 4.03Å; M483-L486 PolarHBondContact O-N 2.99Å; M483-L486 HydrophobicContact SD-CD2 4.15Å; M483-I487 HydrophobicContact CE-CB 3.96Å; M483-I487 WeakPolarHBondContact O-CG2 3.4Å; M483-I487 PolarHBondContact O-N 3.1Å |
| 484 | F | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 175.7 | -173.9 | -96.2 | 0 | 0 | 0 | 112.3 | Y111 S112 K115 L116 P480 I487 Q488 | Y111-F484 HydrophobicContact CD1-CB 4.05Å; Y111-F484 HydrophobicContact CD1-CD1 4.49Å; Y111-F484 HydrophobicContact CD1-CG 4.26Å; Y111-F484 HydrophobicContact CG-CB 4.44Å; Y111-F484 WeakPolarHBondContact O-CD2 3.4Å; S112-F484 WeakPolarHBondContact O-CE2 3.22Å; K115-F484 HydrophobicContact CB-CE2 4.08Å; K115-F484 HydrophobicContact CB-CZ 3.98Å; K115-F484 HydrophobicContact CD-CZ 4.4Å; L116-F484 HydrophobicContact CD1-CD2 4.12Å; L116-F484 HydrophobicContact CD1-CE2 3.65Å; L116-F484 HydrophobicContact CD1-CZ 3.89Å; L116-F484 HydrophobicContact CD2-CE1 4.32Å; L116-F484 HydrophobicContact CD2-CE2 4.26Å; L116-F484 HydrophobicContact CD2-CZ 3.71Å; L116-F484 HydrophobicContact CG-CE2 3.69Å; L116-F484 HydrophobicContact CG-CZ 3.68Å; P480-F484 WeakPolarHBondContact O-CB 3.38Å; P480-F484 PolarHBondContact O-N 2.89Å; F484-I487 WeakPolarHBondContact O-CG2 3.13Å; F484-Q488 WeakPolarHBondContact O-CB 3.33Å; F484-Q488 PolarHBondContact O-N 2.75Å |
| 485 | H | 97.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 22% | 0.222 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.9 | -47.7 | 173 | 178.8 | 75.5 | 0 | 0 | 0 | 111.7 | W438 I439 A481 A482 M483 I487 Q488 S489 | W438-H485 AromaticContact CZ3-CD2 3.89Å; I439-H485 PolarHBondContact O-NE2 3.23Å; A481-H485 PolarHBondContact O-N 3.06Å; A481-H485 VanDerWaalsContact O-N 3.15Å; A482-H485 PolarHBondContact O-N 2.91Å; M483-H485 VanDerWaalsContact C-N 3.31Å; M483-H485 PolarHBondContact O-N 3.12Å; H485-I487 PolarHBondContact O-N 2.82Å; H485-Q488 PolarHBondContact O-N 3.43Å; H485-S489 PolarHBondContact O-N 3.4Å; H485-S489 PolarHBondContact O-OG 3.32Å; H485-S489 VanDerWaalsContact O-OG 3.13Å |
| 486 | L | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | -179.8 | 179.6 | 56.7 | 0 | 0 | 0 | 112.3 | L405 Y407 W438 A466 V468 A482 M483 S489 F490 L496 | L405-L486 HydrophobicContact CD1-CD1 4.37Å; L405-L486 HydrophobicContact CD2-CD1 4.38Å; L405-L486 HydrophobicContact CD2-CG 4.2Å; Y407-L486 HydrophobicContact CG-CD2 4.35Å; W438-L486 HydrophobicContact CH2-CB 4.16Å; W438-L486 HydrophobicContact CZ2-CD2 4.33Å; W438-L486 HydrophobicContact CZ3-CB 4.39Å; A466-L486 HydrophobicContact CB-CD1 4.3Å; A466-L486 HydrophobicContact CB-CD2 4.18Å; V468-L486 HydrophobicContact CG2-CD2 3.9Å; A482-L486 PolarHBondContact O-N 2.72Å; M483-L486 HydrophobicContact CE-CB 4.08Å; M483-L486 HydrophobicContact CE-CD2 4Å; M483-L486 HydrophobicContact CE-CG 4.03Å; M483-L486 PolarHBondContact O-N 2.99Å; M483-L486 HydrophobicContact SD-CD2 4.15Å; L486-S489 PolarHBondContact O-N 3.43Å; L486-F490 PolarHBondContact O-N 2.88Å; L486-F490 VanDerWaalsContact O-N 3.12Å; L486-L496 HydrophobicContact CD1-CD1 3.55Å; L486-L496 HydrophobicContact CD1-CD2 3.49Å; L486-L496 VanDerWaalsContact CD1-CD2 3.49Å; L486-L496 HydrophobicContact CD1-CG 4.16Å |
| 487 | I | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 178.8 | -165 | 64.8 | 0 | 0 | 0 | 111.8 | W113 L116 A199 M483 F484 H485 S489 F490 L491 | W113-I487 HydrophobicContact CD2-CG1 4.06Å; W113-I487 HydrophobicContact CD2-CG2 4.14Å; W113-I487 HydrophobicContact CE3-CD1 4.47Å; W113-I487 HydrophobicContact CE3-CG1 3.96Å; W113-I487 HydrophobicContact CG-CG2 4.39Å; W113-I487 HydrophobicContact CH2-CB 4.23Å; W113-I487 HydrophobicContact CH2-CD1 3.63Å; W113-I487 HydrophobicContact CH2-CG1 3.68Å; W113-I487 HydrophobicContact CZ2-CB 3.87Å; W113-I487 HydrophobicContact CZ2-CD1 4.17Å; W113-I487 HydrophobicContact CZ2-CG1 3.8Å; W113-I487 HydrophobicContact CZ2-CG2 4.07Å; W113-I487 HydrophobicContact CZ3-CD1 3.81Å; W113-I487 HydrophobicContact CZ3-CG1 3.78Å; L116-I487 HydrophobicContact CD1-CG2 3.79Å; A199-I487 HydrophobicContact CB-CD1 4.14Å; M483-I487 HydrophobicContact CE-CB 3.96Å; M483-I487 WeakPolarHBondContact O-CG2 3.4Å; M483-I487 PolarHBondContact O-N 3.1Å; F484-I487 WeakPolarHBondContact O-CG2 3.13Å; H485-I487 PolarHBondContact O-N 2.82Å; I487-S489 PolarHBondContact O-N 2.87Å; I487-F490 HydrophobicContact CD1-CD1 4.14Å; I487-F490 PolarHBondContact O-N 3.02Å; I487-L491 HydrophobicContact CG1-CD1 4.16Å; I487-L491 HydrophobicContact CG1-CG 4.25Å; I487-L491 WeakPolarHBondContact O-CG 3.27Å; I487-L491 PolarHBondContact O-N 2.82Å |
| 488 | Q | 97.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.7 | -49 | 174.2 | 177.3 | 175.2 | 60.5 | 0 | 0 | 110.8 | L116 F484 H485 F490 L491 Q492 | L116-Q488 HydrophobicContact CD1-CB 3.85Å; L116-Q488 HydrophobicContact CD2-CB 4.15Å; L116-Q488 HydrophobicContact CD2-CG 3.97Å; F484-Q488 WeakPolarHBondContact O-CB 3.33Å; F484-Q488 PolarHBondContact O-N 2.75Å; H485-Q488 PolarHBondContact O-N 3.43Å; Q488-F490 VanDerWaalsContact C-N 3.27Å; Q488-F490 PolarHBondContact O-N 3.02Å; Q488-L491 PolarHBondContact O-N 3.46Å; Q488-Q492 HydrophobicContact CG-CG 4.37Å; Q488-Q492 VanDerWaalsContact O-CB 3.31Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 WeakPolarHBondContact O-CG 3.3Å; Q488-Q492 PolarHBondContact O-N 3.16Å |
| 489 | S | 97.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -39.7 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | H485 L486 I487 K493 Q494 | H485-S489 PolarHBondContact O-N 3.4Å; H485-S489 PolarHBondContact O-OG 3.32Å; H485-S489 VanDerWaalsContact O-OG 3.13Å; L486-S489 PolarHBondContact O-N 3.43Å; I487-S489 PolarHBondContact O-N 2.87Å; S489-K493 PolarHBondContact O-N 3.19Å; S489-Q494 PolarHBondContact O-N 3.17Å |
| 490 | F | 97.9 | Very high | 94.5 | Very high | 28 Ų | 28 | 43 Ų | 43 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -52.1 | 175.5 | 178.2 | -109.4 | 0 | 0 | 0 | 113 | Y169 I198 A199 L405 L486 I487 Q488 Q492 K493 | Y169-F490 HydrophobicContact CD1-CD1 4.41Å; Y169-F490 AromaticContact CD1-CE1 3.67Å; Y169-F490 HydrophobicContact CD1-CE1 3.67Å; Y169-F490 HydrophobicContact CD1-CZ 4.28Å; Y169-F490 HydrophobicContact CE1-CE1 4Å; Y169-F490 HydrophobicContact CE1-CZ 4.44Å; I198-F490 VanDerWaalsContact O-CZ 3.24Å; I198-F490 WeakPolarHBondContact O-CZ 3.33Å; A199-F490 HydrophobicContact CB-CD1 4.03Å; A199-F490 HydrophobicContact CB-CE1 3.78Å; A199-F490 HydrophobicContact CB-CZ 4.32Å; L405-F490 HydrophobicContact CB-CD2 3.65Å; L405-F490 HydrophobicContact CB-CE2 3.72Å; L405-F490 HydrophobicContact CB-CG 4.12Å; L405-F490 HydrophobicContact CB-CZ 4.25Å; L405-F490 HydrophobicContact CD2-CB 3.92Å; L405-F490 HydrophobicContact CD2-CD2 4.3Å; L405-F490 HydrophobicContact CD2-CG 4.02Å; L486-F490 PolarHBondContact O-N 2.88Å; L486-F490 VanDerWaalsContact O-N 3.12Å; I487-F490 HydrophobicContact CD1-CD1 4.14Å; I487-F490 PolarHBondContact O-N 3.02Å; Q488-F490 VanDerWaalsContact C-N 3.27Å; Q488-F490 PolarHBondContact O-N 3.02Å; F490-Q492 VanDerWaalsContact C-N 3.27Å; F490-Q492 PolarHBondContact O-N 3.33Å; F490-K493 PolarHBondContact O-N 2.86Å |
| 491 | L | 97.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -33 | -178.4 | -66.4 | 177.9 | 0 | 0 | 0 | 112.4 | V76 L116 Y169 I487 Q488 | V76-L491 HydrophobicContact CG2-CD1 4.29Å; V76-L491 HydrophobicContact CG2-CD2 4.06Å; L116-L491 HydrophobicContact CB-CD1 4Å; L116-L491 HydrophobicContact CD1-CD1 4.31Å; Y169-L491 HydrophobicContact CD1-CD2 3.76Å; Y169-L491 HydrophobicContact CD2-CD2 3.53Å; Y169-L491 HydrophobicContact CE1-CD2 3.92Å; Y169-L491 HydrophobicContact CE2-CD2 3.7Å; Y169-L491 HydrophobicContact CG-CD2 3.55Å; Y169-L491 PolarHBondContact OH-O 3.42Å; Y169-L491 VanDerWaalsContact OH-O 3.12Å; I487-L491 HydrophobicContact CG1-CD1 4.16Å; I487-L491 HydrophobicContact CG1-CG 4.25Å; I487-L491 WeakPolarHBondContact O-CG 3.27Å; I487-L491 PolarHBondContact O-N 2.82Å; Q488-L491 PolarHBondContact O-N 3.46Å |
| 492 | Q | 95.4 | Very high | 94.1 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.1 | 180 | -61.8 | -179.4 | -2.9 | 0 | 0 | 113.4 | Q488 F490 Q494 | Q488-Q492 HydrophobicContact CG-CG 4.37Å; Q488-Q492 VanDerWaalsContact O-CB 3.31Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 WeakPolarHBondContact O-CG 3.3Å; Q488-Q492 PolarHBondContact O-N 3.16Å; F490-Q492 VanDerWaalsContact C-N 3.27Å; F490-Q492 PolarHBondContact O-N 3.33Å; Q492-Q494 HydrophobicContact CB-CG 4.05Å; Q492-Q494 PolarHBondContact O-N 2.79Å |
| 493 | K | 91.8 | Very high | 93.8 | Very high | 141 Ų | 141 | 48.5 Ų | 48.5 | 61% | 0.613 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 35.5 | -178.8 | -54.8 | 176.1 | -175.7 | 170.2 | 0 | 113.4 | S489 F490 | S489-K493 PolarHBondContact O-N 3.19Å; F490-K493 PolarHBondContact O-N 2.86Å |
| 494 | Q | 87.5 | Confident | 93.5 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | trans | -89.4 | 156 | 175.8 | -65.3 | 172.9 | 5 | 0 | 0 | 110.5 | S489 Q492 | S489-Q494 PolarHBondContact O-N 3.17Å; Q492-Q494 HydrophobicContact CB-CG 4.05Å; Q492-Q494 PolarHBondContact O-N 2.79Å | ||
| 495 | S | 79.9 | Confident | 93.1 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 72% | 0.72 | 27% | 0.271 | S | S | * | . | trans | -73.6 | 150.9 | 170 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 496 | L | 79 | Confident | 92.7 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | trans | -84 | 0 | 172.8 | -63.2 | 176.6 | 0 | 0 | 0 | 113.3 | W438 W453 T464 L486 | W438-L496 HydrophobicContact CB-CB 3.89Å; W453-L496 HydrophobicContact CB-CD1 4.26Å; W453-L496 HydrophobicContact CD2-CB 4.33Å; W453-L496 HydrophobicContact CD2-CD1 4.16Å; W453-L496 HydrophobicContact CE3-CD1 4.48Å; W453-L496 HydrophobicContact CG-CD1 4.07Å; W453-L496 HydrophobicContact CZ2-CB 4.36Å; T464-L496 HydrophobicContact CG2-CD1 4.03Å; L486-L496 HydrophobicContact CD1-CD1 3.55Å; L486-L496 HydrophobicContact CD1-CD2 3.49Å; L486-L496 VanDerWaalsContact CD1-CD2 3.49Å; L486-L496 HydrophobicContact CD1-CG 4.16Å |
Retrieved 496 of 496 residues in 1074.5 ms
(Link to these results)