| 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 | 51.6 | Low | 61 | Low | 206 Ų | 206 | 135.7 Ų | 135.7 | 100% | 1.015 | 68% | 0.679 | S | S | * | * | 0 | -42.3 | 0 | -76 | -58.1 | -125.9 | 0 | 0 | 113.3 | H3 L4 | M1-H3 PolarHBondContact O-N 3.45Å; M1-H3 VanDerWaalsContact O-N 3.08Å; M1-L4 PolarHBondContact O-N 3.08Å | |||
| 2 | L | 57.5 | Low | 61.5 | Low | 134 Ų | 134 | 128.4 Ų | 128.4 | 70% | 0.702 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -0.9 | -177.6 | -77.3 | 151.6 | 0 | 0 | 0 | 117.7 | ||
| 3 | H | 59.1 | Low | 62.1 | Low | 171 Ų | 171 | 128 Ų | 128 | 79% | 0.792 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -22.8 | 178.8 | -73.6 | 46.9 | 0 | 0 | 0 | 112.8 | M1 | M1-H3 PolarHBondContact O-N 3.45Å; M1-H3 VanDerWaalsContact O-N 3.08Å |
| 4 | L | 55.6 | Low | 62.5 | Low | 110 Ų | 110 | 126.8 Ų | 126.8 | 58% | 0.576 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.9 | -27.3 | -178.1 | -91.3 | 163.1 | 0 | 0 | 0 | 113.2 | M1 K6 I8 | M1-L4 PolarHBondContact O-N 3.08Å; L4-K6 VanDerWaalsContact C-N 3.35Å; L4-I8 WeakPolarHBondContact O-CD1 3.35Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.44Å |
| 5 | E | 58.9 | Low | 62.4 | Low | 141 Ų | 141 | 127.3 Ų | 127.3 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -27.9 | -179.4 | -66.8 | -173.7 | 156 | 0 | 0 | 112.9 | D9 | E5-D9 PolarHBondContact O-N 3.4Å |
| 6 | K | 60 | Low | 63.1 | Low | 163 Ų | 163 | 129.1 Ų | 129.1 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.1 | -33.3 | 179.3 | -67.8 | -171.1 | 174.8 | -176.9 | 0 | 112.8 | L4 D9 E10 | L4-K6 VanDerWaalsContact C-N 3.35Å; K6-D9 PolarHBondContact O-N 3.49Å; K6-E10 PolarHBondContact O-N 3.36Å |
| 7 | E | 59.2 | Low | 63.8 | Low | 137 Ų | 137 | 128 Ų | 128 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.7 | -31.6 | 178.4 | -164.2 | 172.8 | -175.5 | 0 | 0 | 111.8 | D9 A11 | E7-D9 VanDerWaalsContact C-N 3.28Å; E7-D9 PolarHBondContact O-N 3.45Å; E7-A11 PolarHBondContact O-N 2.63Å |
| 8 | I | 62.4 | Low | 64.9 | Low | 103 Ų | 103 | 128.1 Ų | 128.1 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 172 | -64.9 | 166.2 | 0 | 0 | 0 | 110.5 | L4 T12 | L4-I8 WeakPolarHBondContact O-CD1 3.35Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.44Å; I8-T12 HydrophobicContact CG2-CG2 3.98Å; I8-T12 VanDerWaalsContact O-CB 3.22Å; I8-T12 WeakPolarHBondContact O-CB 3.37Å; I8-T12 WeakPolarHBondContact O-CG2 3.46Å; I8-T12 PolarHBondContact O-N 2.87Å; I8-T12 PolarHBondContact O-OG1 3.22Å |
| 9 | D | 66.9 | Low | 65.9 | Low | 113 Ų | 113 | 129.2 Ų | 129.2 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.6 | -42.9 | -179.5 | -161.5 | 33.9 | 0 | 0 | 0 | 112.2 | E5 K6 E7 T12 F13 | E5-D9 PolarHBondContact O-N 3.4Å; K6-D9 PolarHBondContact O-N 3.49Å; E7-D9 VanDerWaalsContact C-N 3.28Å; E7-D9 PolarHBondContact O-N 3.45Å; D9-T12 WeakPolarHBondContact CA-OG1 3.5Å; D9-T12 PolarHBondContact O-OG1 3Å; D9-F13 WeakPolarHBondContact O-CB 3.48Å; D9-F13 PolarHBondContact O-N 3.46Å |
| 10 | E | 72 | Confident | 66.9 | Low | 149 Ų | 149 | 127.8 Ų | 127.8 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.5 | -44.1 | 177.8 | -69.5 | -172.9 | -178.7 | 0 | 0 | 112.7 | K6 F13 Q14 | K6-E10 PolarHBondContact O-N 3.36Å; E10-F13 PolarHBondContact O-N 2.84Å; E10-Q14 VanDerWaalsContact O-CG 3.31Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 3.42Å |
| 11 | A | 67.5 | Low | 67.9 | Low | 66 Ų | 66 | 125.4 Ų | 125.4 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.3 | -36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E7 K15 | E7-A11 PolarHBondContact O-N 2.63Å; A11-K15 WeakPolarHBondContact O-CB 3.43Å; A11-K15 PolarHBondContact O-N 3.15Å |
| 12 | T | 67 | Low | 69.8 | Low | 48 Ų | 48 | 121.8 Ų | 121.8 | 29% | 0.294 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | 173.7 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | I8 D9 Q14 K15 F16 | I8-T12 HydrophobicContact CG2-CG2 3.98Å; I8-T12 VanDerWaalsContact O-CB 3.22Å; I8-T12 WeakPolarHBondContact O-CB 3.37Å; I8-T12 WeakPolarHBondContact O-CG2 3.46Å; I8-T12 PolarHBondContact O-N 2.87Å; I8-T12 PolarHBondContact O-OG1 3.22Å; D9-T12 WeakPolarHBondContact CA-OG1 3.5Å; D9-T12 PolarHBondContact O-OG1 3Å; T12-Q14 VanDerWaalsContact C-N 3.35Å; T12-Q14 PolarHBondContact O-N 3.45Å; T12-K15 CarbonylContact O-C 3.59Å; T12-K15 WeakPolarHBondContact O-CA 3.49Å; T12-K15 WeakPolarHBondContact O-CB 3Å; T12-K15 PolarHBondContact O-N 3.1Å; T12-K15 VanDerWaalsContact O-N 3.1Å; T12-F16 WeakPolarHBondContact O-CD2 2.94Å; T12-F16 WeakPolarHBondContact O-CG 3.15Å; T12-F16 PolarHBondContact O-N 2.94Å |
| 13 | F | 69.7 | Low | 71.4 | Confident | 123 Ų | 123 | 119.6 Ų | 119.6 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -57.7 | -46.2 | 172.5 | -176.9 | -100.4 | 0 | 0 | 0 | 111.8 | D9 E10 K15 F16 L17 | D9-F13 WeakPolarHBondContact O-CB 3.48Å; D9-F13 PolarHBondContact O-N 3.46Å; E10-F13 PolarHBondContact O-N 2.84Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 2.95Å; F13-F16 PolarHBondContact O-N 3.23Å; F13-L17 HydrophobicContact CD1-CD1 3.84Å; F13-L17 HydrophobicContact CD1-CG 4.49Å; F13-L17 HydrophobicContact CE1-CD1 3.52Å; F13-L17 HydrophobicContact CE1-CG 4.23Å; F13-L17 HydrophobicContact CZ-CD1 4.2Å; F13-L17 WeakPolarHBondContact O-CG 3.22Å; F13-L17 PolarHBondContact O-N 3.44Å |
| 14 | Q | 67.4 | Low | 72.8 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.2 | -45 | 172.6 | -70.4 | -63.9 | -32.5 | 0 | 0 | 111.4 | E10 T12 F16 L17 L18 | E10-Q14 VanDerWaalsContact O-CG 3.31Å; E10-Q14 WeakPolarHBondContact O-CG 3.23Å; E10-Q14 PolarHBondContact O-N 3.42Å; T12-Q14 VanDerWaalsContact C-N 3.35Å; T12-Q14 PolarHBondContact O-N 3.45Å; Q14-F16 VanDerWaalsContact C-N 3.32Å; Q14-F16 PolarHBondContact O-N 3.36Å; Q14-L17 WeakPolarHBondContact O-CB 3.11Å; Q14-L17 PolarHBondContact O-N 3.28Å; Q14-L17 VanDerWaalsContact O-N 3.09Å; Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å |
| 15 | K | 61.3 | Low | 74.5 | Confident | 134 Ų | 134 | 113.2 Ų | 113.2 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.3 | -41.7 | 175.9 | -172.1 | 179.4 | 177.3 | 177.6 | 0 | 112.3 | A11 T12 F13 L17 L18 F19 | A11-K15 WeakPolarHBondContact O-CB 3.43Å; A11-K15 PolarHBondContact O-N 3.15Å; T12-K15 CarbonylContact O-C 3.59Å; T12-K15 WeakPolarHBondContact O-CA 3.49Å; T12-K15 WeakPolarHBondContact O-CB 3Å; T12-K15 PolarHBondContact O-N 3.1Å; T12-K15 VanDerWaalsContact O-N 3.1Å; F13-K15 VanDerWaalsContact C-N 3.35Å; F13-K15 PolarHBondContact O-N 2.95Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 3.19Å; K15-L18 PolarHBondContact O-N 3.09Å; K15-F19 HydrophobicContact CG-CD2 4.1Å; K15-F19 HydrophobicContact CG-CE2 3.99Å; K15-F19 VanDerWaalsContact O-CD2 3.23Å; K15-F19 WeakPolarHBondContact O-CD2 3.45Å; K15-F19 PolarHBondContact O-N 3.06Å |
| 16 | F | 73.1 | Confident | 76.2 | Confident | 157 Ų | 157 | 117 Ų | 117 | 69% | 0.689 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.1 | -29.6 | 176.7 | -68.3 | -60.3 | 0 | 0 | 0 | 113 | T12 F13 Q14 | T12-F16 WeakPolarHBondContact O-CD2 2.94Å; T12-F16 WeakPolarHBondContact O-CG 3.15Å; T12-F16 PolarHBondContact O-N 2.94Å; F13-F16 PolarHBondContact O-N 3.23Å; Q14-F16 VanDerWaalsContact C-N 3.32Å; Q14-F16 PolarHBondContact O-N 3.36Å |
| 17 | L | 75.5 | Confident | 77.7 | Confident | 110 Ų | 110 | 112.5 Ų | 112.5 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.8 | -32.1 | 173.9 | -71.8 | 170 | 0 | 0 | 0 | 113 | F13 Q14 K15 | F13-L17 HydrophobicContact CD1-CD1 3.84Å; F13-L17 HydrophobicContact CD1-CG 4.49Å; F13-L17 HydrophobicContact CE1-CD1 3.52Å; F13-L17 HydrophobicContact CE1-CG 4.23Å; F13-L17 HydrophobicContact CZ-CD1 4.2Å; F13-L17 WeakPolarHBondContact O-CG 3.22Å; F13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 WeakPolarHBondContact O-CB 3.11Å; Q14-L17 PolarHBondContact O-N 3.28Å; Q14-L17 VanDerWaalsContact O-N 3.09Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 3.19Å |
| 18 | L | 83.5 | Confident | 79.2 | Confident | 129 Ų | 129 | 111.8 Ų | 111.8 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.4 | -29.5 | -179.5 | -87 | 82.4 | 0 | 0 | 0 | 113.5 | Q14 K15 | Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å; K15-L18 PolarHBondContact O-N 3.09Å |
| 19 | F | 83.6 | Confident | 80.7 | Confident | 150 Ų | 150 | 114.9 Ų | 114.9 | 66% | 0.658 | 59% | 0.591 | S | S | * | * | trans | -109.9 | 110.2 | -176.7 | -60.8 | -72.6 | 0 | 0 | 0 | 111.1 | K15 | K15-F19 HydrophobicContact CG-CD2 4.1Å; K15-F19 HydrophobicContact CG-CE2 3.99Å; K15-F19 VanDerWaalsContact O-CD2 3.23Å; K15-F19 WeakPolarHBondContact O-CD2 3.45Å; K15-F19 PolarHBondContact O-N 3.06Å | ||
| 20 | K | 85.8 | Confident | 81.9 | Confident | 101 Ų | 101 | 113.5 Ų | 113.5 | 44% | 0.439 | 60% | 0.596 | S | S | . | * | trans | -109.3 | 129.2 | 174.3 | -168.1 | 178.9 | -178.4 | -169.2 | 0 | 110.4 | S24 D25 | K20-S24 WeakPolarHBondContact CE-O 3.5Å; K20-S24 PolarHBondContact NZ-O 3.27Å; K20-D25 WeakPolarHBondContact CE-OD1 3.43Å; K20-D25 IonicContact NZ-OD1 2.69Å; K20-D25 PolarHBondContact NZ-OD1 2.74Å | ||
| 21 | T | 89 | Confident | 83 | Confident | 77 Ų | 77 | 111.9 Ų | 111.9 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | trans | -79 | 154.9 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 110.7 | S23 S24 | T21-S23 WeakPolarHBondContact CB-OG 3.38Å; T21-S23 PolarHBondContact O-N 2.69Å; T21-S23 PolarHBondContact OG1-OG 3.19Å; T21-S24 VanDerWaalsContact O-CB 3.29Å; T21-S24 WeakPolarHBondContact O-CB 3.29Å; T21-S24 PolarHBondContact O-N 3.28Å; T21-S24 PolarHBondContact OG1-N 2.89Å; T21-S24 PolarHBondContact OG1-OG 3.38Å | ||
| 22 | T | 91.3 | Very high | 84.3 | Confident | 130 Ų | 130 | 112.4 Ų | 112.4 | 80% | 0.798 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -60.3 | -31.2 | 173.6 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | S24 D25 | T22-S24 PolarHBondContact O-N 2.96Å; T22-D25 WeakPolarHBondContact O-CB 3Å; T22-D25 PolarHBondContact O-N 2.85Å |
| 23 | S | 91.3 | Very high | 85.6 | Confident | 88 Ų | 88 | 115.3 Ų | 115.3 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -61.1 | -26.9 | 172.4 | 35.5 | 0 | 0 | 0 | 0 | 113.7 | T21 D25 Y26 | T21-S23 WeakPolarHBondContact CB-OG 3.38Å; T21-S23 PolarHBondContact O-N 2.69Å; T21-S23 PolarHBondContact OG1-OG 3.19Å; S23-D25 PolarHBondContact O-N 3.36Å; S23-Y26 PolarHBondContact O-N 3.27Å |
| 24 | S | 88.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 117.7 Ų | 117.7 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -75.2 | -3.3 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | K20 T21 T22 | K20-S24 WeakPolarHBondContact CE-O 3.5Å; K20-S24 PolarHBondContact NZ-O 3.27Å; T21-S24 VanDerWaalsContact O-CB 3.29Å; T21-S24 WeakPolarHBondContact O-CB 3.29Å; T21-S24 PolarHBondContact O-N 3.28Å; T21-S24 PolarHBondContact OG1-N 2.89Å; T21-S24 PolarHBondContact OG1-OG 3.38Å; T22-S24 PolarHBondContact O-N 2.96Å |
| 25 | D | 91.2 | Very high | 88.1 | Confident | 90 Ų | 90 | 116.8 Ų | 116.8 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -80.5 | -26.2 | 172.3 | -70.7 | -32.9 | 0 | 0 | 0 | 112.8 | K20 T22 S23 G27 K28 | K20-D25 WeakPolarHBondContact CE-OD1 3.43Å; K20-D25 IonicContact NZ-OD1 2.69Å; K20-D25 PolarHBondContact NZ-OD1 2.74Å; T22-D25 WeakPolarHBondContact O-CB 3Å; T22-D25 PolarHBondContact O-N 2.85Å; S23-D25 PolarHBondContact O-N 3.36Å; D25-G27 PolarHBondContact O-N 3.29Å; D25-K28 WeakPolarHBondContact O-CB 3.37Å; D25-K28 PolarHBondContact O-N 3.36Å |
| 26 | Y | 94 | Very high | 89.7 | Confident | 221 Ų | 221 | 116.3 Ų | 116.3 | 87% | 0.867 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 126.9 | 173.3 | -171.9 | -95.8 | 0 | 0 | 0 | 110.3 | S23 K28 | S23-Y26 PolarHBondContact O-N 3.27Å; Y26-K28 VanDerWaalsContact C-N 3.25Å; Y26-K28 PolarHBondContact O-N 3.29Å |
| 27 | G | 91.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 113.2 Ų | 113.2 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 9.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | D25 F29 | D25-G27 PolarHBondContact O-N 3.29Å; G27-F29 VanDerWaalsContact C-N 3.25Å; G27-F29 PolarHBondContact O-N 3.32Å |
| 28 | K | 91.2 | Very high | 91.6 | Very high | 121 Ų | 121 | 116 Ų | 116 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | trans | -59 | -34.8 | 179.6 | -173.5 | -169.4 | -174.7 | 176.9 | 0 | 113.2 | D25 Y26 | D25-K28 WeakPolarHBondContact O-CB 3.37Å; D25-K28 PolarHBondContact O-N 3.36Å; Y26-K28 VanDerWaalsContact C-N 3.25Å; Y26-K28 PolarHBondContact O-N 3.29Å | ||
| 29 | F | 92.3 | Very high | 92.2 | Very high | 168 Ų | 168 | 114.3 Ų | 114.3 | 74% | 0.737 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -106.5 | 136.2 | -174.5 | -59.6 | -70.3 | 0 | 0 | 0 | 111 | G27 | G27-F29 VanDerWaalsContact C-N 3.25Å; G27-F29 PolarHBondContact O-N 3.32Å |
| 30 | A | 93.8 | Very high | 92.8 | Very high | 84 Ų | 84 | 115.5 Ų | 115.5 | 69% | 0.694 | 63% | 0.633 | S | S | * | * | trans | -65.5 | 146.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 31 | P | 94.3 | Very high | 93.2 | Very high | 116 Ų | 116 | 119.3 Ų | 119.3 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -61.1 | 144.1 | 173.4 | 27.8 | -34.8 | 0 | 0 | 0 | 110.3 | ||||
| 32 | N | 94.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 118.8 Ų | 118.8 | 41% | 0.406 | 65% | 0.648 | S | S | . | * | trans | -127.8 | 166.8 | 175.7 | 70.4 | 49.2 | 0 | 0 | 0 | 110.8 | H34 T35 M36 | N32-H34 PolarHBondContact O-N 2.66Å; N32-H34 VanDerWaalsContact O-N 3.14Å; N32-H34 VanDerWaalsContact OD1-CA 3.23Å; N32-H34 WeakPolarHBondContact OD1-CA 3.23Å; N32-H34 VanDerWaalsContact OD1-CB 3.23Å; N32-H34 WeakPolarHBondContact OD1-CB 3.23Å; N32-H34 PolarHBondContact OD1-N 2.98Å; N32-T35 PolarHBondContact N-OG1 2.82Å; N32-T35 PolarHBondContact O-N 2.91Å; N32-T35 PolarHBondContact O-OG1 3.14Å; N32-T35 PolarHBondContact OD1-N 2.95Å; N32-M36 PolarHBondContact O-N 3.42Å | ||
| 33 | V | 95.5 | Very high | 93.6 | Very high | 110 Ų | 110 | 120.8 Ų | 120.8 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -26.1 | -179.2 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | T35 | V33-T35 VanDerWaalsContact C-N 3.35Š|
| 34 | H | 95.5 | Very high | 93.5 | Very high | 173 Ų | 173 | 124.6 Ų | 124.6 | 80% | 0.801 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -12.9 | 177.1 | -50.8 | -67.4 | 0 | 0 | 0 | 113.4 | N32 | N32-H34 PolarHBondContact O-N 2.66Å; N32-H34 VanDerWaalsContact O-N 3.14Å; N32-H34 VanDerWaalsContact OD1-CA 3.23Å; N32-H34 WeakPolarHBondContact OD1-CA 3.23Å; N32-H34 VanDerWaalsContact OD1-CB 3.23Å; N32-H34 WeakPolarHBondContact OD1-CB 3.23Å; N32-H34 PolarHBondContact OD1-N 2.98Å |
| 35 | T | 93.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 123.5 Ų | 123.5 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -11.5 | 173.5 | 58.7 | 0 | 0 | 0 | 0 | 113 | N32 V33 | N32-T35 PolarHBondContact N-OG1 2.82Å; N32-T35 PolarHBondContact O-N 2.91Å; N32-T35 PolarHBondContact O-OG1 3.14Å; N32-T35 PolarHBondContact OD1-N 2.95Å; V33-T35 VanDerWaalsContact C-N 3.35Å |
| 36 | M | 93.8 | Very high | 94 | Very high | 124 Ų | 124 | 124.2 Ų | 124.2 | 61% | 0.611 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -83.8 | 145.4 | 179.6 | -67 | -172.8 | 70.7 | 0 | 0 | 111.1 | N32 | N32-M36 PolarHBondContact O-N 3.42Š|
| 37 | P | 95 | Very high | 93.9 | Very high | 92 Ų | 92 | 120.6 Ų | 120.6 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | trans | -69.2 | 141.1 | 170.5 | 30.2 | -34.1 | 0 | 0 | 0 | 110.3 | V39 | P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 3.4Å | ||
| 38 | N | 94.7 | Very high | 94 | Very high | 167 Ų | 167 | 121.3 Ų | 121.3 | 89% | 0.893 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -65.6 | -31.3 | 175.5 | -72.1 | -16.9 | 0 | 0 | 0 | 112.5 | ||
| 39 | V | 95.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 121.8 Ų | 121.8 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | trans | -143.1 | 139.6 | -179.8 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | P37 F41 | P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 3.4Å; V39-F41 HydrophobicContact CB-CE2 4.17Å; V39-F41 HydrophobicContact CB-CZ 4.49Å; V39-F41 HydrophobicContact CG1-CD2 4.08Å; V39-F41 HydrophobicContact CG1-CE1 4.03Å; V39-F41 HydrophobicContact CG1-CE2 3.39Å; V39-F41 HydrophobicContact CG1-CZ 3.37Å | ||
| 40 | Y | 95.6 | Very high | 94.3 | Very high | 175 Ų | 175 | 119.5 Ų | 119.5 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | trans | -128.8 | 126.8 | 178.1 | 177.5 | -121.9 | 0 | 0 | 0 | 110.4 | P42 | Y40-P42 HydrophobicContact CD1-CB 4.34Å; Y40-P42 HydrophobicContact CD1-CG 4.11Å; Y40-P42 HydrophobicContact CE1-CB 3.6Å; Y40-P42 HydrophobicContact CE1-CG 3.82Å; Y40-P42 VanDerWaalsContact O-CD 3.27Å; Y40-P42 WeakPolarHBondContact O-CD 3.27Å | ||
| 41 | F | 95.2 | Very high | 94.2 | Very high | 180 Ų | 180 | 119.7 Ų | 119.7 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | trans | -115.1 | 80.7 | -179.3 | -63.1 | -77.2 | 0 | 0 | 0 | 110.3 | V39 | V39-F41 HydrophobicContact CB-CE2 4.17Å; V39-F41 HydrophobicContact CB-CZ 4.49Å; V39-F41 HydrophobicContact CG1-CD2 4.08Å; V39-F41 HydrophobicContact CG1-CE1 4.03Å; V39-F41 HydrophobicContact CG1-CE2 3.39Å; V39-F41 HydrophobicContact CG1-CZ 3.37Å | ||
| 42 | P | 94.1 | Very high | 94.1 | Very high | 67 Ų | 67 | 116.8 Ų | 116.8 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | trans | -66.8 | 140.3 | 177.7 | 26.7 | -31.6 | 0 | 0 | 0 | 110.5 | Y40 K44 | Y40-P42 HydrophobicContact CD1-CB 4.34Å; Y40-P42 HydrophobicContact CD1-CG 4.11Å; Y40-P42 HydrophobicContact CE1-CB 3.6Å; Y40-P42 HydrophobicContact CE1-CG 3.82Å; Y40-P42 VanDerWaalsContact O-CD 3.27Å; Y40-P42 WeakPolarHBondContact O-CD 3.27Å; P42-K44 PolarHBondContact O-N 3.39Å | ||
| 43 | L | 93.3 | Very high | 94 | Very high | 172 Ų | 172 | 121 Ų | 121 | 90% | 0.901 | 63% | 0.634 | S | S | * | * | trans | -70.2 | 112.8 | 168.4 | -176.9 | 65.9 | 0 | 0 | 0 | 108.9 | G45 | L43-G45 PolarHBondContact O-N 3.33Š| ||
| 44 | K | 90.6 | Very high | 93.7 | Very high | 167 Ų | 167 | 120.6 Ų | 120.6 | 73% | 0.726 | 63% | 0.634 | S | S | * | * | trans | -75.2 | 111.8 | 172.5 | -65.8 | -172.4 | 179.4 | -178.4 | 0 | 109 | P42 D46 | P42-K44 PolarHBondContact O-N 3.39Å; K44-D46 PolarHBondContact O-N 3.18Å | ||
| 45 | G | 94.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 114.4 Ų | 114.4 | 37% | 0.371 | 62% | 0.618 | S | S | . | * | trans | -81.1 | 7.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L43 F47 S48 Q49 | L43-G45 PolarHBondContact O-N 3.33Å; G45-F47 VanDerWaalsContact C-N 3.31Å; G45-F47 PolarHBondContact O-N 3.06Å; G45-S48 PolarHBondContact O-N 3.24Å; G45-S48 VanDerWaalsContact O-N 3.13Å; G45-Q49 WeakPolarHBondContact O-CB 3.35Å; G45-Q49 PolarHBondContact O-N 3.39Å | ||
| 46 | D | 95 | Very high | 93.3 | Very high | 105 Ų | 105 | 118 Ų | 118 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.8 | -40.6 | -169.4 | -56.4 | -20.5 | 0 | 0 | 0 | 112.5 | K44 Q49 H50 | K44-D46 PolarHBondContact O-N 3.18Å; D46-Q49 PolarHBondContact O-N 3.4Å; D46-H50 VanDerWaalsContact O-CB 3.29Å; D46-H50 WeakPolarHBondContact O-CB 3.43Å; D46-H50 PolarHBondContact O-N 2.88Å |
| 47 | F | 92.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 120.9 Ų | 120.9 | 63% | 0.632 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.6 | -48.5 | 176.4 | 176.2 | -103.2 | 0 | 0 | 0 | 111.9 | G45 Q49 H50 L51 | G45-F47 VanDerWaalsContact C-N 3.31Å; G45-F47 PolarHBondContact O-N 3.06Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.45Å; F47-H50 WeakPolarHBondContact O-CB 3.47Å; F47-H50 PolarHBondContact O-N 3.24Å; F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CD1-CG 4.5Å; F47-L51 HydrophobicContact CE1-CD1 3.28Å; F47-L51 HydrophobicContact CE1-CG 4.12Å; F47-L51 HydrophobicContact CE2-CD1 4.11Å; F47-L51 HydrophobicContact CE2-CG 4.22Å; F47-L51 HydrophobicContact CZ-CD1 3.37Å; F47-L51 HydrophobicContact CZ-CD2 4.43Å; F47-L51 HydrophobicContact CZ-CG 3.98Å; F47-L51 PolarHBondContact O-N 3.47Å |
| 48 | S | 93.1 | Very high | 93 | Very high | 84 Ų | 84 | 125.1 Ų | 125.1 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.3 | -38.7 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | G45 L51 G52 | G45-S48 PolarHBondContact O-N 3.24Å; G45-S48 VanDerWaalsContact O-N 3.13Å; S48-L51 PolarHBondContact O-N 2.9Å; S48-G52 PolarHBondContact O-N 3.47Å |
| 49 | Q | 94.5 | Very high | 92.9 | Very high | 130 Ų | 130 | 122.1 Ų | 122.1 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.4 | -41.8 | 174.6 | -171.3 | -174.9 | 52.4 | 0 | 0 | 111.1 | G45 D46 F47 G52 K53 | G45-Q49 WeakPolarHBondContact O-CB 3.35Å; G45-Q49 PolarHBondContact O-N 3.39Å; D46-Q49 PolarHBondContact O-N 3.4Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 3.45Å; Q49-G52 PolarHBondContact O-N 3.49Å; Q49-K53 PolarHBondContact O-N 3.13Å |
| 50 | H | 94.5 | Very high | 92.6 | Very high | 121 Ų | 121 | 125.7 Ų | 125.7 | 56% | 0.56 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.8 | -50.1 | 175.4 | 178.1 | 79 | 0 | 0 | 0 | 111.5 | D46 F47 G52 K53 | D46-H50 VanDerWaalsContact O-CB 3.29Å; D46-H50 WeakPolarHBondContact O-CB 3.43Å; D46-H50 PolarHBondContact O-N 2.88Å; F47-H50 WeakPolarHBondContact O-CB 3.47Å; F47-H50 PolarHBondContact O-N 3.24Å; H50-G52 VanDerWaalsContact C-N 3.32Å; H50-G52 PolarHBondContact O-N 2.85Å; H50-K53 WeakPolarHBondContact O-CB 3.42Å; H50-K53 PolarHBondContact O-N 3.28Å |
| 51 | L | 92.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 121 Ų | 121 | 46% | 0.455 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.7 | -38.2 | 177.1 | -73.2 | -175.6 | 0 | 0 | 0 | 112.8 | F47 S48 K53 C54 | F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CD1-CG 4.5Å; F47-L51 HydrophobicContact CE1-CD1 3.28Å; F47-L51 HydrophobicContact CE1-CG 4.12Å; F47-L51 HydrophobicContact CE2-CD1 4.11Å; F47-L51 HydrophobicContact CE2-CG 4.22Å; F47-L51 HydrophobicContact CZ-CD1 3.37Å; F47-L51 HydrophobicContact CZ-CD2 4.43Å; F47-L51 HydrophobicContact CZ-CG 3.98Å; F47-L51 PolarHBondContact O-N 3.47Å; S48-L51 PolarHBondContact O-N 2.9Å; L51-K53 PolarHBondContact O-N 3.29Å; L51-C54 WeakPolarHBondContact O-CB 3.29Å; L51-C54 PolarHBondContact O-N 3.37Å |
| 52 | G | 92.2 | Very high | 92.3 | Very high | 55 Ų | 55 | 119.7 Ų | 119.7 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.5 | -29.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S48 Q49 H50 C54 G55 | S48-G52 PolarHBondContact O-N 3.47Å; Q49-G52 PolarHBondContact O-N 3.49Å; H50-G52 VanDerWaalsContact C-N 3.32Å; H50-G52 PolarHBondContact O-N 2.85Å; G52-C54 PolarHBondContact O-N 3.2Å; G52-G55 PolarHBondContact O-N 2.88Å |
| 53 | K | 92.2 | Very high | 92.1 | Very high | 165 Ų | 165 | 124.1 Ų | 124.1 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -26.4 | 175.7 | -68 | 176.4 | -177.5 | -178.1 | 0 | 113 | Q49 H50 L51 G55 | Q49-K53 PolarHBondContact O-N 3.13Å; H50-K53 WeakPolarHBondContact O-CB 3.42Å; H50-K53 PolarHBondContact O-N 3.28Å; L51-K53 PolarHBondContact O-N 3.29Å; K53-G55 PolarHBondContact O-N 3.24Å |
| 54 | C | 88.5 | Confident | 91.9 | Very high | 101 Ų | 101 | 121.8 Ų | 121.8 | 68% | 0.682 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -15.3 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | L51 G52 | L51-C54 WeakPolarHBondContact O-CB 3.29Å; L51-C54 PolarHBondContact O-N 3.37Å; G52-C54 PolarHBondContact O-N 3.2Å |
| 55 | G | 89.9 | Confident | 92 | Very high | 44 Ų | 44 | 119.1 Ų | 119.1 | 45% | 0.454 | 64% | 0.642 | S | S | . | * | trans | 70.3 | -155.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G52 K53 | G52-G55 PolarHBondContact O-N 2.88Å; K53-G55 PolarHBondContact O-N 3.24Å | ||
| 56 | M | 91 | Very high | 91.6 | Very high | 166 Ų | 166 | 125.9 Ų | 125.9 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -83.5 | 116.8 | -177.1 | -60 | -60.2 | 118 | 0 | 0 | 110.5 | ||
| 57 | Y | 90.9 | Very high | 90.8 | Very high | 185 Ų | 185 | 130.8 Ų | 130.8 | 73% | 0.725 | 68% | 0.683 | S | S | * | * | trans | -59 | 141.9 | 175.9 | 172.9 | -101.5 | 0 | 0 | 0 | 112 | N59 | Y57-N59 HydrophobicContact CE1-CB 4.31Š| ||
| 58 | R | 91.8 | Very high | 90.2 | Very high | 181 Ų | 181 | 136.6 Ų | 136.6 | 68% | 0.683 | 71% | 0.708 | S | S | * | * | trans | -127.1 | 136.5 | 172.2 | -66.1 | -66.6 | -174.3 | 167 | -0.5 | 109 | H60 | R58-H60 WeakPolarHBondContact CB-NE2 3.47Å; R58-H60 PolarHBondContact O-CD2 3.43Å; R58-H60 PolarHBondContact O-N 3.35Å | ||
| 59 | N | 91.9 | Very high | 90 | Very high | 105 Ų | 105 | 139.2 Ų | 139.2 | 56% | 0.561 | 71% | 0.714 | S | S | * | * | trans | -76 | 120.4 | 175.5 | -173.7 | -4.7 | 0 | 0 | 0 | 110 | Y57 S61 | Y57-N59 HydrophobicContact CE1-CB 4.31Å; N59-S61 WeakPolarHBondContact OD1-CB 3.43Å; N59-S61 PolarHBondContact OD1-N 2.84Å; N59-S61 PolarHBondContact OD1-OG 2.85Å | ||
| 60 | H | 91.1 | Very high | 89.8 | Confident | 169 Ų | 169 | 139.7 Ų | 139.7 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | trans | -122.1 | 15.3 | 174 | -60.9 | -66.9 | 0 | 0 | 0 | 112.5 | R58 | R58-H60 WeakPolarHBondContact CB-NE2 3.47Å; R58-H60 PolarHBondContact O-CD2 3.43Å; R58-H60 PolarHBondContact O-N 3.35Å | ||
| 61 | S | 92.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 140.7 Ų | 140.7 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | trans | -76.8 | 149.4 | 179.7 | 70.2 | 0 | 0 | 0 | 0 | 112 | N59 | N59-S61 WeakPolarHBondContact OD1-CB 3.43Å; N59-S61 PolarHBondContact OD1-N 2.84Å; N59-S61 PolarHBondContact OD1-OG 2.85Å | ||
| 62 | L | 91.8 | Very high | 89.3 | Confident | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 74% | 0.744 | S | S | * | * | trans | -78.5 | 146.9 | 168.5 | -63.5 | 174.1 | 0 | 0 | 0 | 110.8 | T64 | L62-T64 HydrophobicContact CB-CG2 4.43Å; L62-T64 PolarHBondContact O-N 3.21Å | ||
| 63 | N | 88.9 | Confident | 89.2 | Confident | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -73.8 | 107.9 | 169.9 | -71 | -31.9 | 0 | 0 | 0 | 109.2 | ||||
| 64 | T | 90.6 | Very high | 89 | Confident | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -107.5 | 10 | -177.3 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | L62 M66 | L62-T64 HydrophobicContact CB-CG2 4.43Å; L62-T64 PolarHBondContact O-N 3.21Å; T64-M66 PolarHBondContact O-N 3.11Å; T64-M66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | S | 91.3 | Very high | 89 | Confident | 111 Ų | 111 | 151.8 Ų | 151.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.3 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 66 | M | 86.7 | Confident | 88.9 | Confident | 178 Ų | 178 | 160.1 Ų | 160.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 135.6 | 165.4 | -63.7 | -174.5 | -61.9 | 0 | 0 | 108.5 | T64 K68 | T64-M66 PolarHBondContact O-N 3.11Å; T64-M66 VanDerWaalsContact O-N 3.11Å; M66-K68 PolarHBondContact O-N 3.29Å |
| 67 | K | 79 | Confident | 88.7 | Confident | 208 Ų | 208 | 159.6 Ų | 159.6 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 127.6 | 174.9 | -170.6 | 176.4 | 178.1 | -178.8 | 0 | 108.4 | ||
| 68 | K | 78.9 | Confident | 88.6 | Confident | 266 Ų | 266 | 157.3 Ų | 157.3 | 100% | 1.157 | 79% | 0.79 | S | S | * | * | trans | -62.7 | 0 | 173.2 | -174.5 | 177.5 | 178.8 | -178.9 | 0 | 111 | M66 | M66-K68 PolarHBondContact O-N 3.29Š|
Retrieved 68 of 68 residues in 82.1 ms
(Link to these results)