| 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 | 48 | Very low | 59.9 | Low | 242 Ų | 242 | 112.4 Ų | 112.4 | 100% | 1.192 | 65% | 0.652 | S | S | * | * | 0 | 104.7 | 0 | -66.2 | 178.6 | -87.7 | 0 | 0 | 106.8 | |||||
| 2 | A | 46.7 | Very low | 61.4 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 84% | 0.843 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 132.2 | -175 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 3 | F | 52.4 | Low | 62.5 | Low | 189 Ų | 189 | 108.9 Ų | 108.9 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141.4 | 177.9 | -64.3 | -84.8 | 0 | 0 | 0 | 110.7 | T5 | F3-T5 PolarHBondContact O-N 3.26Š|
| 4 | P | 58.5 | Low | 63.6 | Low | 110 Ų | 110 | 104.3 Ų | 104.3 | 71% | 0.714 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.8 | 174.7 | 25.4 | -31.4 | 0 | 0 | 0 | 109.7 | T6 | P4-T6 PolarHBondContact O-N 3.18Š|
| 5 | T | 57.5 | Low | 64.9 | Low | 93 Ų | 93 | 105.9 Ų | 105.9 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | trans | -78.6 | 51.6 | -178.6 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | F3 S7 A8 | F3-T5 PolarHBondContact O-N 3.26Å; T5-S7 PolarHBondContact O-N 3.24Å; T5-A8 PolarHBondContact O-N 3.2Å; T5-A8 VanDerWaalsContact O-N 3.12Å | ||
| 6 | T | 60.8 | Low | 66.1 | Low | 67 Ų | 67 | 108.2 Ų | 108.2 | 41% | 0.411 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.1 | -33 | 176.8 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | P4 A8 Q10 | P4-T6 PolarHBondContact O-N 3.18Å; T6-A8 PolarHBondContact O-N 3.07Å; T6-Q10 WeakPolarHBondContact O-CB 3.49Å; T6-Q10 PolarHBondContact O-N 3.06Å |
| 7 | S | 61.9 | Low | 67.1 | Low | 88 Ų | 88 | 105.7 Ų | 105.7 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -36.6 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | T5 A11 | T5-S7 PolarHBondContact O-N 3.24Å; S7-A11 VanDerWaalsContact O-CB 3.3Å; S7-A11 WeakPolarHBondContact O-CB 3.38Å; S7-A11 PolarHBondContact O-N 2.93Å |
| 8 | A | 63.3 | Low | 68.1 | Low | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.9 | -42.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T5 T6 A11 E12 | T5-A8 PolarHBondContact O-N 3.2Å; T5-A8 VanDerWaalsContact O-N 3.12Å; T6-A8 PolarHBondContact O-N 3.07Å; A8-A11 PolarHBondContact O-N 3.25Å; A8-E12 PolarHBondContact O-N 3.3Å; A8-E12 VanDerWaalsContact O-N 3.13Å |
| 9 | Q | 68.4 | Low | 69.2 | Low | 140 Ų | 140 | 106.1 Ų | 106.1 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.4 | -36.9 | 176.9 | -66.6 | -174.3 | -58.7 | 0 | 0 | 112.1 | E12 T13 | Q9-E12 PolarHBondContact O-N 2.98Å; Q9-T13 PolarHBondContact O-N 2.81Å; Q9-T13 PolarHBondContact O-OG1 2.98Å |
| 10 | Q | 67.7 | Low | 70.1 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -41 | 175 | -169.1 | -179.3 | 26 | 0 | 0 | 111.7 | T6 E12 T13 N14 | T6-Q10 WeakPolarHBondContact O-CB 3.49Å; T6-Q10 PolarHBondContact O-N 3.06Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3Å; Q10-T13 PolarHBondContact O-N 3.21Å; Q10-N14 WeakPolarHBondContact O-CB 3.41Å; Q10-N14 VanDerWaalsContact O-CG 3.26Å; Q10-N14 PolarHBondContact O-N 2.86Å |
| 11 | A | 73.8 | Confident | 70.9 | Confident | 50 Ų | 50 | 104.3 Ų | 104.3 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | S7 A8 R15 | S7-A11 VanDerWaalsContact O-CB 3.3Å; S7-A11 WeakPolarHBondContact O-CB 3.38Å; S7-A11 PolarHBondContact O-N 2.93Å; A8-A11 PolarHBondContact O-N 3.25Å; A11-R15 WeakPolarHBondContact O-CB 3.39Å; A11-R15 PolarHBondContact O-N 3.21Å |
| 12 | E | 77.9 | Confident | 72.7 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175.2 | -170.7 | 57.5 | -139.7 | 0 | 0 | 112 | A8 Q9 Q10 N14 R15 K16 | A8-E12 PolarHBondContact O-N 3.3Å; A8-E12 VanDerWaalsContact O-N 3.13Å; Q9-E12 PolarHBondContact O-N 2.98Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3Å; E12-N14 PolarHBondContact O-N 2.94Å; E12-R15 PolarHBondContact O-N 2.94Å; E12-R15 IonicContact OE1-NH1 3.69Å; E12-R15 IonicContact OE2-CZ 3.59Å; E12-R15 IonicContact OE2-NH1 2.66Å; E12-R15 PolarHBondContact OE2-NH1 3.02Å; E12-K16 PolarHBondContact O-N 2.98Å |
| 13 | T | 76 | Confident | 74.5 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | Q9 Q10 R15 K16 I17 | Q9-T13 PolarHBondContact O-N 2.81Å; Q9-T13 PolarHBondContact O-OG1 2.98Å; Q10-T13 PolarHBondContact O-N 3.21Å; T13-R15 PolarHBondContact O-N 3.29Å; T13-K16 PolarHBondContact O-N 3.48Å; T13-I17 HydrophobicContact CG2-CD1 3.94Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.2Å; T13-I17 PolarHBondContact O-N 2.89Å |
| 14 | N | 77.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 95 Ų | 95 | 24% | 0.235 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.3 | -72.6 | -15.2 | 0 | 0 | 0 | 112 | Q10 E12 I17 L18 | Q10-N14 WeakPolarHBondContact O-CB 3.41Å; Q10-N14 VanDerWaalsContact O-CG 3.26Å; Q10-N14 PolarHBondContact O-N 2.86Å; E12-N14 PolarHBondContact O-N 2.94Å; N14-I17 PolarHBondContact O-N 3.41Å; N14-L18 WeakPolarHBondContact O-CG 3.1Å; N14-L18 PolarHBondContact O-N 3.43Å |
| 15 | R | 82.3 | Confident | 77.2 | Confident | 129 Ų | 129 | 97.1 Ų | 97.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 175.6 | -170.5 | -173.6 | -58.7 | 132.7 | 8.7 | 110.8 | A11 E12 T13 I17 L18 E19 | A11-R15 WeakPolarHBondContact O-CB 3.39Å; A11-R15 PolarHBondContact O-N 3.21Å; E12-R15 PolarHBondContact O-N 2.94Å; E12-R15 IonicContact OE1-NH1 3.69Å; E12-R15 IonicContact OE2-CZ 3.59Å; E12-R15 IonicContact OE2-NH1 2.66Å; E12-R15 PolarHBondContact OE2-NH1 3.02Å; T13-R15 PolarHBondContact O-N 3.29Å; R15-I17 VanDerWaalsContact C-N 3.33Å; R15-I17 PolarHBondContact O-N 3.46Å; R15-L18 PolarHBondContact O-N 3.18Å; R15-E19 PolarHBondContact O-N 3.43Å |
| 16 | K | 84.5 | Confident | 78.2 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -40.8 | 178.3 | -170.6 | 179.8 | 178.3 | -170.4 | 0 | 112.6 | E12 T13 E19 E20 | E12-K16 PolarHBondContact O-N 2.98Å; T13-K16 PolarHBondContact O-N 3.48Å; K16-E19 PolarHBondContact O-N 3.04Å; K16-E20 WeakPolarHBondContact O-CB 3.26Å; K16-E20 PolarHBondContact O-N 3.09Å |
| 17 | I | 83.6 | Confident | 78.9 | Confident | 66 Ų | 66 | 102.8 Ų | 102.8 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176.7 | -69.5 | 164.1 | 0 | 0 | 0 | 110.9 | T13 N14 R15 E19 E20 I21 | T13-I17 HydrophobicContact CG2-CD1 3.94Å; T13-I17 VanDerWaalsContact O-CG1 3.26Å; T13-I17 WeakPolarHBondContact O-CG1 3.2Å; T13-I17 PolarHBondContact O-N 2.89Å; N14-I17 PolarHBondContact O-N 3.41Å; R15-I17 VanDerWaalsContact C-N 3.33Å; R15-I17 PolarHBondContact O-N 3.46Å; I17-E19 PolarHBondContact O-N 3.1Å; I17-E20 PolarHBondContact O-N 3.43Å; I17-I21 HydrophobicContact CG2-CD1 3.76Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.42Å; I17-I21 PolarHBondContact O-N 2.85Å |
| 18 | L | 85.1 | Confident | 79.6 | Confident | 111 Ų | 111 | 105.1 Ų | 105.1 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 179.1 | -73.1 | 171 | 0 | 0 | 0 | 111.9 | N14 R15 I21 Q22 | N14-L18 WeakPolarHBondContact O-CG 3.1Å; N14-L18 PolarHBondContact O-N 3.43Å; R15-L18 PolarHBondContact O-N 3.18Å; L18-I21 PolarHBondContact O-N 2.96Å; L18-Q22 WeakPolarHBondContact O-CG 3.31Å; L18-Q22 PolarHBondContact O-N 2.94Å |
| 19 | E | 88.6 | Confident | 79.7 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 173.7 | -73.1 | 173.1 | -167.6 | 0 | 0 | 111.2 | R15 K16 I17 I21 Q22 T23 | R15-E19 PolarHBondContact O-N 3.43Å; K16-E19 PolarHBondContact O-N 3.04Å; I17-E19 PolarHBondContact O-N 3.1Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.02Å; E19-Q22 PolarHBondContact O-N 2.99Å; E19-Q22 VanDerWaalsContact O-N 3.13Å; E19-T23 PolarHBondContact O-N 3.29Å; E19-T23 PolarHBondContact O-OG1 3.14Å; E19-T23 VanDerWaalsContact O-OG1 3.09Å |
| 20 | E | 88 | Confident | 79.3 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 178.3 | -170.3 | -174.1 | 156.4 | 0 | 0 | 112.2 | K16 I17 T23 K24 | K16-E20 WeakPolarHBondContact O-CB 3.26Å; K16-E20 PolarHBondContact O-N 3.09Å; I17-E20 PolarHBondContact O-N 3.43Å; E20-T23 PolarHBondContact O-N 3.23Å; E20-K24 HydrophobicContact CG-CD 4.2Å; E20-K24 VanDerWaalsContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CB 3.22Å; E20-K24 WeakPolarHBondContact O-CG 3.36Å; E20-K24 PolarHBondContact O-N 3.09Å; E20-K24 WeakPolarHBondContact OE1-CE 3.43Å; E20-K24 IonicContact OE1-NZ 2.61Å; E20-K24 PolarHBondContact OE1-NZ 3.36Å |
| 21 | I | 86.8 | Confident | 78.8 | Confident | 84 Ų | 84 | 101 Ų | 101 | 43% | 0.431 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.6 | -70.5 | 167.2 | 0 | 0 | 0 | 110.8 | I17 L18 E19 K24 K25 | I17-I21 HydrophobicContact CG2-CD1 3.76Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 VanDerWaalsContact O-CG1 3.27Å; I17-I21 WeakPolarHBondContact O-CG1 3.42Å; I17-I21 PolarHBondContact O-N 2.85Å; L18-I21 PolarHBondContact O-N 2.96Å; E19-I21 VanDerWaalsContact C-N 3.32Å; E19-I21 PolarHBondContact O-N 3.02Å; I21-K24 PolarHBondContact O-N 3.29Å; I21-K25 WeakPolarHBondContact O-CB 3.24Å; I21-K25 WeakPolarHBondContact O-CG 3.38Å; I21-K25 PolarHBondContact O-N 3.29Å |
| 22 | Q | 85.8 | Confident | 77.6 | Confident | 138 Ų | 138 | 105.2 Ų | 105.2 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -44.9 | 177.6 | -74.6 | -176.7 | -14.2 | 0 | 0 | 111.4 | L18 E19 K25 Q26 | L18-Q22 WeakPolarHBondContact O-CG 3.31Å; L18-Q22 PolarHBondContact O-N 2.94Å; E19-Q22 PolarHBondContact O-N 2.99Å; E19-Q22 VanDerWaalsContact O-N 3.13Å; Q22-K25 PolarHBondContact O-N 2.87Å; Q22-Q26 WeakPolarHBondContact O-CB 3.42Å; Q22-Q26 PolarHBondContact O-N 3.37Å |
| 23 | T | 84.5 | Confident | 76.2 | Confident | 76 Ų | 76 | 107.8 Ų | 107.8 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -47.2 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | E19 E20 K25 Q26 L27 | E19-T23 PolarHBondContact O-N 3.29Å; E19-T23 PolarHBondContact O-OG1 3.14Å; E19-T23 VanDerWaalsContact O-OG1 3.09Å; E20-T23 PolarHBondContact O-N 3.23Å; T23-K25 PolarHBondContact O-N 3.34Å; T23-Q26 PolarHBondContact O-N 3.31Å; T23-L27 HydrophobicContact CG2-CD1 4.2Å; T23-L27 WeakPolarHBondContact O-CG 3.37Å; T23-L27 PolarHBondContact O-N 3.36Å |
| 24 | K | 85.3 | Confident | 74.8 | Confident | 124 Ų | 124 | 110.8 Ų | 110.8 | 54% | 0.539 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.1 | -43.4 | 176 | -80.3 | 175.3 | 172 | 169.7 | 0 | 111.7 | E20 I21 Q26 L27 L28 | E20-K24 HydrophobicContact CG-CD 4.2Å; E20-K24 VanDerWaalsContact O-CB 3.29Å; E20-K24 WeakPolarHBondContact O-CB 3.22Å; E20-K24 WeakPolarHBondContact O-CG 3.36Å; E20-K24 PolarHBondContact O-N 3.09Å; E20-K24 WeakPolarHBondContact OE1-CE 3.43Å; E20-K24 IonicContact OE1-NZ 2.61Å; E20-K24 PolarHBondContact OE1-NZ 3.36Å; I21-K24 PolarHBondContact O-N 3.29Å; K24-Q26 PolarHBondContact O-N 3.43Å; K24-L27 PolarHBondContact O-N 3.18Å; K24-L28 WeakPolarHBondContact O-CB 3.48Å; K24-L28 PolarHBondContact O-N 3.17Å |
| 25 | K | 82.5 | Confident | 73.2 | Confident | 153 Ų | 153 | 116 Ų | 116 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.7 | -42.6 | 174.7 | -87.9 | -172.2 | 149.2 | -169.4 | 0 | 112.2 | I21 Q22 T23 L28 A29 | I21-K25 WeakPolarHBondContact O-CB 3.24Å; I21-K25 WeakPolarHBondContact O-CG 3.38Å; I21-K25 PolarHBondContact O-N 3.29Å; Q22-K25 PolarHBondContact O-N 2.87Å; T23-K25 PolarHBondContact O-N 3.34Å; K25-L28 PolarHBondContact O-N 3.18Å; K25-A29 VanDerWaalsContact O-CB 3.22Å; K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 3.04Å |
| 26 | Q | 77 | Confident | 71.2 | Confident | 150 Ų | 150 | 114 Ų | 114 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.4 | -42.9 | 178.9 | -171.2 | 175.2 | 34.7 | 0 | 0 | 111.8 | Q22 T23 K24 A29 G30 | Q22-Q26 WeakPolarHBondContact O-CB 3.42Å; Q22-Q26 PolarHBondContact O-N 3.37Å; T23-Q26 PolarHBondContact O-N 3.31Å; K24-Q26 PolarHBondContact O-N 3.43Å; Q26-A29 PolarHBondContact O-N 3.28Å; Q26-G30 PolarHBondContact O-N 3.12Å |
| 27 | L | 76.9 | Confident | 69.5 | Low | 129 Ų | 129 | 114 Ų | 114 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63 | -41.5 | 175 | -71.2 | 173 | 0 | 0 | 0 | 111.9 | T23 K24 G30 | T23-L27 HydrophobicContact CG2-CD1 4.2Å; T23-L27 WeakPolarHBondContact O-CG 3.37Å; T23-L27 PolarHBondContact O-N 3.36Å; K24-L27 PolarHBondContact O-N 3.18Å; L27-G30 PolarHBondContact O-N 3.28Å |
| 28 | L | 76.8 | Confident | 67.6 | Low | 137 Ų | 137 | 116 Ų | 116 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.8 | -37.2 | 179.4 | -148.2 | 69.5 | 0 | 0 | 0 | 112 | K24 K25 G30 G31 | K24-L28 WeakPolarHBondContact O-CB 3.48Å; K24-L28 PolarHBondContact O-N 3.17Å; K25-L28 PolarHBondContact O-N 3.18Å; L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 3.11Å; L28-G31 PolarHBondContact O-N 2.95Å |
| 29 | A | 65.1 | Low | 66.1 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 65% | 0.645 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.7 | -25.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K25 Q26 G31 | K25-A29 VanDerWaalsContact O-CB 3.22Å; K25-A29 WeakPolarHBondContact O-CB 3.25Å; K25-A29 PolarHBondContact O-N 3.04Å; Q26-A29 PolarHBondContact O-N 3.28Å; A29-G31 VanDerWaalsContact C-N 3.33Å |
| 30 | G | 60.2 | Low | 64 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -11.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q26 L27 L28 | Q26-G30 PolarHBondContact O-N 3.12Å; L27-G30 PolarHBondContact O-N 3.28Å; L28-G30 VanDerWaalsContact C-N 3.28Å; L28-G30 PolarHBondContact O-N 3.11Å |
| 31 | G | 57.3 | Low | 61.8 | Low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -99.6 | -12.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L28 A29 | L28-G31 PolarHBondContact O-N 2.95Å; A29-G31 VanDerWaalsContact C-N 3.33Å |
| 32 | I | 48.8 | Very low | 59.7 | Low | 137 Ų | 137 | 124.7 Ų | 124.7 | 70% | 0.703 | 72% | 0.718 | S | S | * | * | trans | -141.4 | 111.3 | -174.6 | 52.2 | 168.5 | 0 | 0 | 0 | 112.3 | ||||
| 33 | I | 47.7 | Very low | 57.8 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | trans | -48.3 | 138.8 | 162.5 | -64.5 | 168.7 | 0 | 0 | 0 | 110 | ||||
| 34 | N | 45.7 | Very low | 56.1 | Low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 36.7 | 104 | 159.4 | -75.9 | -3.6 | 0 | 0 | 0 | 117.9 | ||||
| 35 | L | 45.6 | Very low | 54.5 | Low | 154 Ų | 154 | 126.1 Ų | 126.1 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -147.9 | 94.3 | 139.1 | -128.3 | 72.9 | 0 | 0 | 0 | 108.9 | L37 | L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 HydrophobicContact CB-CD1 4.47Å; L35-L37 HydrophobicContact CD2-CD1 3.8Å; L35-L37 HydrophobicContact CG-CD1 4.25Å; L35-L37 PolarHBondContact O-N 2.91Å | ||
| 36 | G | 39.8 | Very low | 52.9 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -66.2 | 81.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 37 | L | 48.1 | Very low | 51.3 | Low | 142 Ų | 142 | 126.1 Ų | 126.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -116.4 | 86.9 | 172.2 | -71.6 | 158.9 | 0 | 0 | 0 | 109.1 | L35 | L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 HydrophobicContact CB-CD1 4.47Å; L35-L37 HydrophobicContact CD2-CD1 3.8Å; L35-L37 HydrophobicContact CG-CD1 4.25Å; L35-L37 PolarHBondContact O-N 2.91Å | ||
| 38 | S | 45.4 | Very low | 49.9 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -86.1 | 170.5 | 147.1 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 39 | P | 52.3 | Low | 48.3 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -114 | -173.1 | -69.4 | 38.4 | -23.4 | 0 | 0 | 0 | 110 | |||||
| 40 | P | 45.2 | Very low | 47.2 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | -147.3 | 162.7 | 87.7 | 36.3 | -17.8 | 0 | 0 | 0 | 114.3 | Q42 | P40-Q42 PolarHBondContact O-N 2.95Š| |||
| 41 | N | 41.8 | Very low | 46.3 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -3.8 | 96.1 | 150.6 | -81.3 | -4.7 | 0 | 0 | 0 | 115.5 | ||||
| 42 | Q | 41.6 | Very low | 45.7 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -134 | 108.5 | 154 | -121.4 | 176.2 | -51.8 | 0 | 0 | 107.2 | P40 | P40-Q42 PolarHBondContact O-N 2.95Š| ||
| 43 | M | 47.7 | Very low | 45.2 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -41 | 131.1 | 168.2 | -156 | -175.8 | -55.3 | 0 | 0 | 108.4 | A45 | M43-A45 PolarHBondContact O-N 3Š| ||
| 44 | P | 47.5 | Very low | 44.8 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -62.7 | 113.8 | 178.5 | 24.6 | -29.2 | 0 | 0 | 0 | 106.9 | ||||
| 45 | A | 51.6 | Low | 44.4 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | trans | -50 | 136.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | M43 Q47 | M43-A45 PolarHBondContact O-N 3Å; A45-Q47 VanDerWaalsContact C-N 3.28Å; A45-Q47 PolarHBondContact O-N 2.82Å | ||
| 46 | P | 49.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -61.4 | 99.4 | 177.4 | 25.5 | -30.8 | 0 | 0 | 0 | 106.9 | L48 | P46-L48 VanDerWaalsContact C-N 3.28Å; P46-L48 PolarHBondContact O-N 2.72Å | ||
| 47 | Q | 42.6 | Very low | 44 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -63.1 | 101.1 | 167.9 | -74.2 | -99.5 | -49.9 | 0 | 0 | 104.4 | A45 L49 | A45-Q47 VanDerWaalsContact C-N 3.28Å; A45-Q47 PolarHBondContact O-N 2.82Å; Q47-L49 PolarHBondContact O-N 2.61Å | ||
| 48 | L | 48.3 | Very low | 43.4 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 52% | 0.518 | 71% | 0.707 | S | S | . | * | trans | -60.6 | 93.2 | 173.8 | -141 | 90.2 | 0 | 0 | 0 | 106.7 | P46 G50 A76 | P46-L48 VanDerWaalsContact C-N 3.28Å; P46-L48 PolarHBondContact O-N 2.72Å; L48-G50 PolarHBondContact O-N 3.03Å; L48-A76 HydrophobicContact CD2-CB 4.13Å | ||
| 49 | L | 42.2 | Very low | 43.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 62% | 0.618 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -69.7 | 98 | -179 | -176.2 | 65 | 0 | 0 | 0 | 108.1 | Q47 | Q47-L49 PolarHBondContact O-N 2.61Š|
| 50 | G | 42.9 | Very low | 42.3 | Very low | 47 Ų | 47 | 128.9 Ų | 128.9 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | trans | 137.6 | 38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.2 | L48 P52 | L48-G50 PolarHBondContact O-N 3.03Å; G50-P52 WeakPolarHBondContact O-CD 3.43Å | ||
| 51 | Q | 41.1 | Very low | 41.7 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | trans | -78.3 | 105.5 | 169.5 | -177 | 177.2 | -10.9 | 0 | 0 | 110.3 | T53 | Q51-T53 HydrophobicContact CG-CG2 4.45Å; Q51-T53 PolarHBondContact O-N 2.87Å | ||
| 52 | P | 43.6 | Very low | 41.3 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 49% | 0.494 | 72% | 0.715 | S | S | . | * | trans | -70.5 | 113 | 154.3 | 29.9 | -31.4 | 0 | 0 | 0 | 107.2 | G50 T54 | G50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-T54 PolarHBondContact O-N 3.04Å | ||
| 53 | T | 38.7 | Very low | 41.1 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 73% | 0.73 | 71% | 0.711 | S | S | * | * | trans | -68.1 | 77.3 | 160.3 | 47.2 | 0 | 0 | 0 | 0 | 108.4 | Q51 | Q51-T53 HydrophobicContact CG-CG2 4.45Å; Q51-T53 PolarHBondContact O-N 2.87Å | ||
| 54 | T | 38.7 | Very low | 40.4 | Very low | 101 Ų | 101 | 117 Ų | 117 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | trans | -115.1 | 93.1 | 162 | -50.4 | 0 | 0 | 0 | 0 | 107.1 | P52 N56 | P52-T54 PolarHBondContact O-N 3.04Å; T54-N56 VanDerWaalsContact C-N 3.33Å; T54-N56 PolarHBondContact O-N 3.12Å | ||
| 55 | V | 38.4 | Very low | 40.3 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | trans | -61.9 | 95.7 | 161.8 | -78.1 | 0 | 0 | 0 | 0 | 107.8 | P57 | V55-P57 WeakPolarHBondContact O-CD 3.35Š| ||
| 56 | N | 39.9 | Very low | 40 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | trans | -96 | 107.5 | 165.3 | -114.7 | 57 | 0 | 0 | 0 | 107.8 | T54 D58 | T54-N56 VanDerWaalsContact C-N 3.33Å; T54-N56 PolarHBondContact O-N 3.12Å; N56-D58 VanDerWaalsContact C-N 3.31Å; N56-D58 PolarHBondContact O-N 3.21Å | ||
| 57 | P | 36.7 | Very low | 40.2 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | trans | -90.3 | 60 | -179.8 | 38.1 | -32.8 | 0 | 0 | 0 | 110.2 | V55 | V55-P57 WeakPolarHBondContact O-CD 3.35Š| ||
| 58 | D | 36 | Very low | 40.7 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | -135.1 | 20.1 | -177.7 | -82.1 | -46.4 | 0 | 0 | 0 | 115.2 | N56 | N56-D58 VanDerWaalsContact C-N 3.31Å; N56-D58 PolarHBondContact O-N 3.21Å | ||
| 59 | F | 41.8 | Very low | 41.1 | Very low | 184 Ų | 184 | 109.5 Ų | 109.5 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -129.8 | 59.6 | 163.9 | -90.5 | -91.8 | 0 | 0 | 0 | 110.5 | ||||
| 60 | Q | 32.6 | Very low | 42 | Very low | 193 Ų | 193 | 107 Ų | 107 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | trans | -84.2 | 97.8 | 158 | -79.2 | -144 | -21 | 0 | 0 | 109.3 | ||||
| 61 | A | 32.6 | Very low | 42.9 | Very low | 101 Ų | 101 | 107.8 Ų | 107.8 | 84% | 0.835 | 66% | 0.658 | S | S | * | * | trans | -171.7 | 111.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 62 | G | 34 | Very low | 44.1 | Very low | 71 Ų | 71 | 105.2 Ų | 105.2 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 123 | 97.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 63 | V | 35.9 | Very low | 45.3 | Very low | 128 Ų | 128 | 102 Ų | 102 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | trans | 75 | 84.9 | 148.1 | -165.3 | 0 | 0 | 0 | 0 | 117.6 | I65 | V63-I65 WeakPolarHBondContact O-CG1 3.36Å; V63-I65 PolarHBondContact O-N 3.25Å | ||
| 64 | G | 34.4 | Very low | 46.5 | Very low | 89 Ų | 89 | 103.2 Ų | 103.2 | 92% | 0.918 | 62% | 0.622 | S | S | * | * | 51.6 | 26.5 | 117.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 65 | I | 44.3 | Very low | 47.9 | Very low | 117 Ų | 117 | 100.2 Ų | 100.2 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | trans | -123.8 | 134.8 | -178.9 | -55.7 | 170.7 | 0 | 0 | 0 | 110 | V63 T67 | V63-I65 WeakPolarHBondContact O-CG1 3.36Å; V63-I65 PolarHBondContact O-N 3.25Å; I65-T67 PolarHBondContact O-N 3.44Å | ||
| 66 | A | 45.8 | Very low | 49.2 | Very low | 60 Ų | 60 | 94.1 Ų | 94.1 | 50% | 0.496 | 57% | 0.569 | S | S | . | * | trans | -23 | 111.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N68 A69 | A66-N68 PolarHBondContact O-N 3.45Å; A66-A69 PolarHBondContact O-N 2.89Å | ||
| 67 | T | 53.6 | Low | 50.9 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53.9 | -23.8 | -174 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | I65 S71 | I65-T67 PolarHBondContact O-N 3.44Å; T67-S71 PolarHBondContact O-OG 2.95Å |
| 68 | N | 53.4 | Low | 52.7 | Low | 123 Ų | 123 | 89.8 Ų | 89.8 | 66% | 0.658 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -83.9 | -27.1 | 179.9 | -90.6 | 59 | 0 | 0 | 0 | 114.7 | A66 S71 T72 | A66-N68 PolarHBondContact O-N 3.45Å; N68-S71 PolarHBondContact O-OG 3.43Å; N68-T72 PolarHBondContact O-N 3.5Å; N68-T72 PolarHBondContact O-OG1 3.35Å |
| 69 | A | 57.1 | Low | 54.6 | Low | 14 Ų | 14 | 85.9 Ų | 85.9 | 12% | 0.116 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -76.4 | -41.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A66 S71 T72 A73 D92 | A66-A69 PolarHBondContact O-N 2.89Å; A69-S71 PolarHBondContact O-N 3.32Å; A69-T72 PolarHBondContact O-N 2.93Å; A69-A73 PolarHBondContact O-N 2.93Å; A69-A73 VanDerWaalsContact O-N 3.1Å; A69-D92 HydrophobicContact CB-CB 4.13Å |
| 70 | T | 60.6 | Low | 56.2 | Low | 65 Ų | 65 | 77.9 Ų | 77.9 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 178.3 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | R74 | T70-R74 WeakPolarHBondContact O-CB 3.46Å; T70-R74 WeakPolarHBondContact O-CG 3.14Å; T70-R74 PolarHBondContact O-N 3.45Å |
| 71 | S | 61.9 | Low | 58.5 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.4 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | T67 N68 A69 S75 | T67-S71 PolarHBondContact O-OG 2.95Å; N68-S71 PolarHBondContact O-OG 3.43Å; A69-S71 PolarHBondContact O-N 3.32Å; S71-S75 WeakPolarHBondContact O-CB 3.38Å; S71-S75 PolarHBondContact O-N 2.85Å |
| 72 | T | 66.7 | Low | 60.7 | Low | 83 Ų | 83 | 70.7 Ų | 70.7 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 179.6 | -53 | 0 | 0 | 0 | 0 | 111 | N68 A69 R74 S75 A76 | N68-T72 PolarHBondContact O-N 3.5Å; N68-T72 PolarHBondContact O-OG1 3.35Å; A69-T72 PolarHBondContact O-N 2.93Å; T72-R74 PolarHBondContact O-N 2.93Å; T72-S75 PolarHBondContact O-N 3.47Å; T72-A76 PolarHBondContact O-N 3.32Å; T72-A76 VanDerWaalsContact O-N 3.14Å |
| 73 | A | 68.7 | Low | 63.1 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A69 F77 P90 Q91 | A69-A73 PolarHBondContact O-N 2.93Å; A69-A73 VanDerWaalsContact O-N 3.1Å; A73-F77 WeakPolarHBondContact O-CB 3.07Å; A73-F77 PolarHBondContact O-N 3.39Å; A73-P90 HydrophobicContact CB-CB 4.07Å; A73-Q91 WeakPolarHBondContact CB-O 3.33Å |
| 74 | R | 63.7 | Low | 65.5 | Low | 145 Ų | 145 | 69 Ų | 69 | 55% | 0.547 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 177.6 | -74.8 | -167.4 | 177 | -177.8 | 1.6 | 113.1 | T70 T72 F77 | T70-R74 WeakPolarHBondContact O-CB 3.46Å; T70-R74 WeakPolarHBondContact O-CG 3.14Å; T70-R74 PolarHBondContact O-N 3.45Å; T72-R74 PolarHBondContact O-N 2.93Å; R74-F77 WeakPolarHBondContact O-CB 2.9Å; R74-F77 PolarHBondContact O-N 2.84Å |
| 75 | S | 68.1 | Low | 68.3 | Low | 38 Ų | 38 | 73.1 Ų | 73.1 | 27% | 0.266 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 179.1 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | S71 T72 F77 P79 | S71-S75 WeakPolarHBondContact O-CB 3.38Å; S71-S75 PolarHBondContact O-N 2.85Å; T72-S75 PolarHBondContact O-N 3.47Å; S75-F77 VanDerWaalsContact C-N 3.33Å; S75-P79 VanDerWaalsContact O-CD 3.25Å; S75-P79 WeakPolarHBondContact O-CD 3.32Å |
| 76 | A | 65.1 | Low | 70.6 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 7% | 0.066 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.5 | -24.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L48 T72 P79 T80 | L48-A76 HydrophobicContact CD2-CB 4.13Å; T72-A76 PolarHBondContact O-N 3.32Å; T72-A76 VanDerWaalsContact O-N 3.14Å; A76-P79 WeakPolarHBondContact O-CD 3.42Å; A76-P79 WeakPolarHBondContact O-CG 3.26Å; A76-T80 PolarHBondContact O-OG1 2.98Å |
| 77 | F | 76.8 | Confident | 72.9 | Confident | 54 Ų | 54 | 72 Ų | 72 | 24% | 0.237 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68 | -39.2 | -178.7 | -171.6 | -105.4 | 0 | 0 | 0 | 113.6 | A73 R74 S75 T80 S81 F88 P90 F99 | A73-F77 WeakPolarHBondContact O-CB 3.07Å; A73-F77 PolarHBondContact O-N 3.39Å; R74-F77 WeakPolarHBondContact O-CB 2.9Å; R74-F77 PolarHBondContact O-N 2.84Å; S75-F77 VanDerWaalsContact C-N 3.33Å; F77-T80 WeakPolarHBondContact O-CB 3.3Å; F77-T80 PolarHBondContact O-N 3.5Å; F77-S81 PolarHBondContact O-N 3.47Å; F77-S81 PolarHBondContact O-OG 2.98Å; F77-F88 HydrophobicContact CD2-CB 4.37Å; F77-F88 HydrophobicContact CE2-CB 3.6Å; F77-F88 VanDerWaalsContact CE2-O 3.22Å; F77-F88 WeakPolarHBondContact CE2-O 3.46Å; F77-F88 HydrophobicContact CZ-CB 4.4Å; F77-F88 VanDerWaalsContact CZ-O 3.26Å; F77-F88 WeakPolarHBondContact CZ-O 3.27Å; F77-P90 HydrophobicContact CB-CB 4.4Å; F77-P90 HydrophobicContact CD2-CB 4.35Å; F77-P90 HydrophobicContact CG-CB 4.43Å; F77-F99 HydrophobicContact CD2-CB 4.22Å |
| 78 | N | 73.6 | Confident | 74.7 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.8 | -51.4 | -176.2 | -165.5 | 0.4 | 0 | 0 | 0 | 114.4 | T80 S81 S82 | N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 3.39Å; N78-S81 PolarHBondContact O-N 3.37Å; N78-S82 PolarHBondContact O-N 3.34Å |
| 79 | P | 75.7 | Confident | 76.5 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 31% | 0.312 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64 | -33 | 177.5 | 25.7 | -35.2 | 0 | 0 | 0 | 112.5 | S75 A76 S82 T83 | S75-P79 VanDerWaalsContact O-CD 3.25Å; S75-P79 WeakPolarHBondContact O-CD 3.32Å; A76-P79 WeakPolarHBondContact O-CD 3.42Å; A76-P79 WeakPolarHBondContact O-CG 3.26Å; P79-S82 PolarHBondContact O-N 3.01Å; P79-T83 VanDerWaalsContact O-CG2 3.32Å; P79-T83 WeakPolarHBondContact O-CG2 3.35Å; P79-T83 PolarHBondContact O-N 3.27Å; P79-T83 PolarHBondContact O-OG1 2.99Å |
| 80 | T | 75.1 | Confident | 78.1 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -54.3 | 176.3 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | A76 F77 N78 S82 T83 T84 F88 F99 | A76-T80 PolarHBondContact O-OG1 2.98Å; F77-T80 WeakPolarHBondContact O-CB 3.3Å; F77-T80 PolarHBondContact O-N 3.5Å; N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 3.39Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å; T80-T83 PolarHBondContact O-N 3.46Å; T80-T83 PolarHBondContact O-OG1 3.48Å; T80-T83 VanDerWaalsContact O-OG1 3.11Å; T80-T84 HydrophobicContact CG2-CG2 3.98Å; T80-T84 WeakPolarHBondContact O-CG2 3.17Å; T80-T84 PolarHBondContact O-N 3.43Å; T80-F88 HydrophobicContact CG2-CB 4.46Å; T80-F88 HydrophobicContact CG2-CD1 4.13Å; T80-F88 HydrophobicContact CG2-CD2 3.8Å; T80-F88 HydrophobicContact CG2-CE1 4.3Å; T80-F88 HydrophobicContact CG2-CE2 4.07Å; T80-F88 HydrophobicContact CG2-CG 3.85Å; T80-F88 HydrophobicContact CG2-CZ 4.28Å; T80-F99 HydrophobicContact CG2-CD2 4.05Å; T80-F99 HydrophobicContact CG2-CE1 4.38Å; T80-F99 HydrophobicContact CG2-CE2 3.83Å; T80-F99 HydrophobicContact CG2-CG 4.4Å; T80-F99 HydrophobicContact CG2-CZ 4.01Å; T80-F99 WeakPolarHBondContact OG1-CD1 3.42Å; T80-F99 WeakPolarHBondContact OG1-CE1 3.46Å; T80-F99 WeakPolarHBondContact OG1-CZ 3.41Å |
| 81 | S | 80.4 | Confident | 79.4 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.4 | -27.4 | 179.5 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | F77 N78 | F77-S81 PolarHBondContact O-N 3.47Å; F77-S81 PolarHBondContact O-OG 2.98Å; N78-S81 PolarHBondContact O-N 3.37Å |
| 82 | S | 79.4 | Confident | 80.6 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -82.9 | -16.8 | 178.6 | -174.2 | 0 | 0 | 0 | 0 | 114.2 | N78 P79 T80 | N78-S82 PolarHBondContact O-N 3.34Å; P79-S82 PolarHBondContact O-N 3.01Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å |
| 83 | T | 84.6 | Confident | 81.6 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 66% | 0.663 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -111.6 | -15.9 | -171 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | P79 T80 | P79-T83 VanDerWaalsContact O-CG2 3.32Å; P79-T83 WeakPolarHBondContact O-CG2 3.35Å; P79-T83 PolarHBondContact O-N 3.27Å; P79-T83 PolarHBondContact O-OG1 2.99Å; T80-T83 PolarHBondContact O-N 3.46Å; T80-T83 PolarHBondContact O-OG1 3.48Å; T80-T83 VanDerWaalsContact O-OG1 3.11Å |
| 84 | T | 87.4 | Confident | 82.6 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | trans | -128.2 | 155.6 | -176.6 | -167.5 | 0 | 0 | 0 | 0 | 111.7 | T80 G86 F88 | T80-T84 HydrophobicContact CG2-CG2 3.98Å; T80-T84 WeakPolarHBondContact O-CG2 3.17Å; T80-T84 PolarHBondContact O-N 3.43Å; T84-G86 PolarHBondContact OG1-N 3.01Å; T84-F88 HydrophobicContact CG2-CD2 3.71Å; T84-F88 HydrophobicContact CG2-CE2 3.25Å; T84-F88 HydrophobicContact CG2-CZ 4.17Å | ||
| 85 | L | 92.4 | Very high | 83.8 | Confident | 176 Ų | 176 | 74.8 Ų | 74.8 | 92% | 0.921 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -97.1 | 4.4 | 173.4 | -58 | 178.6 | 0 | 0 | 0 | 112.6 | ||
| 86 | G | 92.9 | Very high | 84.7 | Confident | 39 Ų | 39 | 76 Ų | 76 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -78.8 | 163.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T84 F88 | T84-G86 PolarHBondContact OG1-N 3.01Å; G86-F88 WeakPolarHBondContact O-CD2 3.33Å |
| 87 | F | 93.4 | Very high | 85.9 | Confident | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.504 | 44% | 0.443 | S | S | . | . | trans | -93 | 124.9 | 173.7 | -61.4 | -92.8 | 0 | 0 | 0 | 109.2 | P101 V102 P104 | F87-P101 CarbonylContact O-C 3.58Å; F87-P101 WeakPolarHBondContact O-CA 3.22Å; F87-V102 HydrophobicContact CB-CG2 4.24Å; F87-V102 WeakPolarHBondContact CB-O 3.29Å; F87-V102 PolarHBondContact O-N 3.34Å; F87-P104 HydrophobicContact CD1-CB 3.91Å; F87-P104 HydrophobicContact CD1-CG 4.36Å; F87-P104 HydrophobicContact CD2-CB 4.15Å; F87-P104 HydrophobicContact CD2-CG 3.68Å; F87-P104 HydrophobicContact CE1-CB 3.73Å; F87-P104 HydrophobicContact CE1-CG 4.17Å; F87-P104 HydrophobicContact CE2-CB 4.02Å; F87-P104 HydrophobicContact CE2-CG 3.49Å; F87-P104 VanDerWaalsContact CE2-CG 3.49Å; F87-P104 HydrophobicContact CG-CB 4.11Å; F87-P104 HydrophobicContact CG-CG 4.13Å; F87-P104 HydrophobicContact CZ-CB 3.79Å; F87-P104 HydrophobicContact CZ-CG 3.74Å | ||
| 88 | F | 92.5 | Very high | 86.5 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 19% | 0.189 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157.5 | -179.2 | -68.5 | -89.4 | 0 | 0 | 0 | 109.5 | F77 T80 T84 G86 F99 I100 P101 | F77-F88 HydrophobicContact CD2-CB 4.37Å; F77-F88 HydrophobicContact CE2-CB 3.6Å; F77-F88 VanDerWaalsContact CE2-O 3.22Å; F77-F88 WeakPolarHBondContact CE2-O 3.46Å; F77-F88 HydrophobicContact CZ-CB 4.4Å; F77-F88 VanDerWaalsContact CZ-O 3.26Å; F77-F88 WeakPolarHBondContact CZ-O 3.27Å; T80-F88 HydrophobicContact CG2-CB 4.46Å; T80-F88 HydrophobicContact CG2-CD1 4.13Å; T80-F88 HydrophobicContact CG2-CD2 3.8Å; T80-F88 HydrophobicContact CG2-CE1 4.3Å; T80-F88 HydrophobicContact CG2-CE2 4.07Å; T80-F88 HydrophobicContact CG2-CG 3.85Å; T80-F88 HydrophobicContact CG2-CZ 4.28Å; T84-F88 HydrophobicContact CG2-CD2 3.71Å; T84-F88 HydrophobicContact CG2-CE2 3.25Å; T84-F88 HydrophobicContact CG2-CZ 4.17Å; G86-F88 WeakPolarHBondContact O-CD2 3.33Å; F88-F99 AromaticContact CD1-CD2 3.42Å; F88-F99 HydrophobicContact CD1-CD2 3.42Å; F88-F99 VanDerWaalsContact CD1-CD2 3.42Å; F88-F99 AromaticContact CD1-CE2 3.97Å; F88-F99 HydrophobicContact CD1-CE2 3.97Å; F88-F99 HydrophobicContact CD1-CG 4.36Å; F88-F99 AromaticContact CE1-CD2 3.77Å; F88-F99 HydrophobicContact CE1-CD2 3.77Å; F88-F99 AromaticContact CE1-CE2 3.84Å; F88-F99 HydrophobicContact CE1-CE2 3.84Å; F88-F99 HydrophobicContact CG-CD2 4.29Å; F88-I100 WeakPolarHBondContact CA-O 3.33Å; F88-P101 HydrophobicContact CD1-CB 4.05Å; F88-P101 HydrophobicContact CE1-CB 3.64Å; F88-P101 HydrophobicContact CE1-CG 4.28Å; F88-P101 HydrophobicContact CZ-CB 4.17Å |
| 89 | I | 90.8 | Very high | 87.3 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 23% | 0.226 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 149.8 | 164.1 | 53.6 | 153.3 | 0 | 0 | 0 | 110.2 | F99 I100 V102 R105 | I89-F99 CarbonylContact O-C 3.54Å; I89-F99 WeakPolarHBondContact O-CA 3.48Å; I89-F99 VanDerWaalsContact O-CB 3.31Å; I89-F99 WeakPolarHBondContact O-CB 3.34Å; I89-I100 HydrophobicContact CG1-CB 4.47Å; I89-I100 PolarHBondContact N-O 3.2Å; I89-I100 VanDerWaalsContact N-O 3.09Å; I89-I100 PolarHBondContact O-N 3.01Å; I89-V102 HydrophobicContact CD1-CG1 4.23Å; I89-V102 HydrophobicContact CG1-CG1 3.83Å; I89-V102 HydrophobicContact CG1-CG2 4.48Å; I89-V102 HydrophobicContact CG2-CG2 4.01Å; I89-R105 VanDerWaalsContact CD1-NH2 3.32Å |
| 90 | P | 90.9 | Very high | 88.1 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 146.8 | 171 | 28.3 | -34.1 | 0 | 0 | 0 | 110.7 | A73 F77 | A73-P90 HydrophobicContact CB-CB 4.07Å; F77-P90 HydrophobicContact CB-CB 4.4Å; F77-P90 HydrophobicContact CD2-CB 4.35Å; F77-P90 HydrophobicContact CG-CB 4.43Å |
| 91 | Q | 87.9 | Confident | 89 | Confident | 51 Ų | 51 | 82.4 Ų | 82.4 | 24% | 0.238 | 46% | 0.458 | C | S | . | . | trans | -142.1 | 144.5 | 175.4 | -163.9 | -96.7 | -63.7 | 0 | 0 | 110.4 | A73 S93 N97 S98 I100 | A73-Q91 WeakPolarHBondContact CB-O 3.33Å; Q91-S93 VanDerWaalsContact C-N 3.33Å; Q91-S93 PolarHBondContact O-N 3.13Å; Q91-N97 PolarHBondContact OE1-O 2.98Å; Q91-S98 PolarHBondContact N-O 3.02Å; Q91-S98 CarbonylContact O-C 3.36Å; Q91-S98 VanDerWaalsContact O-CA 3.24Å; Q91-S98 WeakPolarHBondContact O-CA 3.36Å; Q91-S98 VanDerWaalsContact O-O 3.06Å; Q91-I100 HydrophobicContact CB-CD1 4.01Å; Q91-I100 HydrophobicContact CB-CG1 4.01Å; Q91-I100 HydrophobicContact CG-CD1 3.7Å; Q91-I100 HydrophobicContact CG-CG1 4.25Å | ||
| 92 | D | 86.1 | Confident | 89.7 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | trans | -89.4 | 34.3 | -172.1 | 61.3 | -22.7 | 0 | 0 | 0 | 114.6 | A69 | A69-D92 HydrophobicContact CB-CB 4.13Š| ||
| 93 | S | 88.1 | Confident | 90.5 | Very high | 23 Ų | 23 | 84.6 Ų | 84.6 | 16% | 0.161 | 46% | 0.459 | C | S | . | . | trans | -76.3 | 133.6 | -175.6 | 168.7 | 0 | 0 | 0 | 0 | 112.6 | Q91 F95 | Q91-S93 VanDerWaalsContact C-N 3.33Å; Q91-S93 PolarHBondContact O-N 3.13Å; S93-F95 PolarHBondContact O-N 3.44Å; S93-F95 PolarHBondContact OG-N 2.88Å | ||
| 94 | Y | 89.4 | Confident | 91 | Very high | 189 Ų | 189 | 82.7 Ų | 82.7 | 74% | 0.741 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.2 | 170.5 | -64.9 | -82.1 | 0 | 0 | 0 | 113.7 | ||
| 95 | F | 90 | Very high | 91.2 | Very high | 185 Ų | 185 | 88.1 Ų | 88.1 | 81% | 0.811 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 18.9 | -175.9 | -54.4 | -74.9 | 0 | 0 | 0 | 113.2 | S93 | S93-F95 PolarHBondContact O-N 3.44Å; S93-F95 PolarHBondContact OG-N 2.88Å |
| 96 | G | 86.7 | Confident | 91.1 | Very high | 62 Ų | 62 | 87.2 Ų | 87.2 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 85.2 | 7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | S98 | G96-S98 VanDerWaalsContact C-N 3.29Å; G96-S98 PolarHBondContact O-N 3.46Å |
| 97 | N | 89.9 | Confident | 90.9 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | trans | -91.5 | 56 | 174.9 | -57.6 | -37.6 | 0 | 0 | 0 | 110.8 | Q91 F99 | Q91-N97 PolarHBondContact OE1-O 2.98Å; N97-F99 PolarHBondContact O-N 3.37Å; N97-F99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | S | 89.1 | Confident | 90.4 | Very high | 21 Ų | 21 | 93.2 Ų | 93.2 | 15% | 0.147 | 49% | 0.487 | C | S | . | . | trans | -67.5 | -10.2 | -174.6 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | Q91 G96 | Q91-S98 PolarHBondContact N-O 3.02Å; Q91-S98 CarbonylContact O-C 3.36Å; Q91-S98 VanDerWaalsContact O-CA 3.24Å; Q91-S98 WeakPolarHBondContact O-CA 3.36Å; Q91-S98 VanDerWaalsContact O-O 3.06Å; G96-S98 VanDerWaalsContact C-N 3.29Å; G96-S98 PolarHBondContact O-N 3.46Å | ||
| 99 | F | 90 | Very high | 89.9 | Confident | 74 Ų | 74 | 98.6 Ų | 98.6 | 33% | 0.325 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.4 | 171.9 | 55.9 | -96.9 | 0 | 0 | 0 | 110.4 | F77 T80 F88 I89 N97 | F77-F99 HydrophobicContact CD2-CB 4.22Å; T80-F99 HydrophobicContact CG2-CD2 4.05Å; T80-F99 HydrophobicContact CG2-CE1 4.38Å; T80-F99 HydrophobicContact CG2-CE2 3.83Å; T80-F99 HydrophobicContact CG2-CG 4.4Å; T80-F99 HydrophobicContact CG2-CZ 4.01Å; T80-F99 WeakPolarHBondContact OG1-CD1 3.42Å; T80-F99 WeakPolarHBondContact OG1-CE1 3.46Å; T80-F99 WeakPolarHBondContact OG1-CZ 3.41Å; F88-F99 AromaticContact CD1-CD2 3.42Å; F88-F99 HydrophobicContact CD1-CD2 3.42Å; F88-F99 VanDerWaalsContact CD1-CD2 3.42Å; F88-F99 AromaticContact CD1-CE2 3.97Å; F88-F99 HydrophobicContact CD1-CE2 3.97Å; F88-F99 HydrophobicContact CD1-CG 4.36Å; F88-F99 AromaticContact CE1-CD2 3.77Å; F88-F99 HydrophobicContact CE1-CD2 3.77Å; F88-F99 AromaticContact CE1-CE2 3.84Å; F88-F99 HydrophobicContact CE1-CE2 3.84Å; F88-F99 HydrophobicContact CG-CD2 4.29Å; I89-F99 CarbonylContact O-C 3.54Å; I89-F99 WeakPolarHBondContact O-CA 3.48Å; I89-F99 VanDerWaalsContact O-CB 3.31Å; I89-F99 WeakPolarHBondContact O-CB 3.34Å; N97-F99 PolarHBondContact O-N 3.37Å; N97-F99 VanDerWaalsContact O-N 3.09Å |
| 100 | I | 92.9 | Very high | 89.3 | Confident | 69 Ų | 69 | 102.2 Ų | 102.2 | 35% | 0.354 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132 | -179.6 | -59.9 | 179.4 | 0 | 0 | 0 | 109.2 | F88 I89 Q91 V102 | F88-I100 WeakPolarHBondContact CA-O 3.33Å; I89-I100 HydrophobicContact CG1-CB 4.47Å; I89-I100 PolarHBondContact N-O 3.2Å; I89-I100 VanDerWaalsContact N-O 3.09Å; I89-I100 PolarHBondContact O-N 3.01Å; Q91-I100 HydrophobicContact CB-CD1 4.01Å; Q91-I100 HydrophobicContact CB-CG1 4.01Å; Q91-I100 HydrophobicContact CG-CD1 3.7Å; Q91-I100 HydrophobicContact CG-CG1 4.25Å; I100-V102 HydrophobicContact CG2-CG1 4.48Å |
| 101 | P | 94.3 | Very high | 88.5 | Confident | 94 Ų | 94 | 104.4 Ų | 104.4 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.6 | 171.2 | 28.1 | -32.9 | 0 | 0 | 0 | 109.9 | F87 F88 | F87-P101 CarbonylContact O-C 3.58Å; F87-P101 WeakPolarHBondContact O-CA 3.22Å; F88-P101 HydrophobicContact CD1-CB 4.05Å; F88-P101 HydrophobicContact CE1-CB 3.64Å; F88-P101 HydrophobicContact CE1-CG 4.28Å; F88-P101 HydrophobicContact CZ-CB 4.17Å |
| 102 | V | 95.1 | Very high | 87.7 | Confident | 41 Ų | 41 | 107.5 Ų | 107.5 | 25% | 0.248 | 58% | 0.584 | C | S | . | * | trans | -132.1 | 169.4 | -178.7 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | F87 I89 I100 | F87-V102 HydrophobicContact CB-CG2 4.24Å; F87-V102 WeakPolarHBondContact CB-O 3.29Å; F87-V102 PolarHBondContact O-N 3.34Å; I89-V102 HydrophobicContact CD1-CG1 4.23Å; I89-V102 HydrophobicContact CG1-CG1 3.83Å; I89-V102 HydrophobicContact CG1-CG2 4.48Å; I89-V102 HydrophobicContact CG2-CG2 4.01Å; I100-V102 HydrophobicContact CG2-CG1 4.48Å | ||
| 103 | L | 96.1 | Very high | 86.5 | Confident | 148 Ų | 148 | 107.6 Ų | 107.6 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.7 | 163.6 | -64.7 | 176.3 | 0 | 0 | 0 | 110 | R105 | L103-R105 PolarHBondContact O-N 3.03Š|
| 104 | P | 94.5 | Very high | 85.1 | Confident | 68 Ų | 68 | 112.9 Ų | 112.9 | 44% | 0.442 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -50.2 | 126 | 170.7 | -10.3 | 11 | 0 | 0 | 0 | 110.6 | F87 | F87-P104 HydrophobicContact CD1-CB 3.91Å; F87-P104 HydrophobicContact CD1-CG 4.36Å; F87-P104 HydrophobicContact CD2-CB 4.15Å; F87-P104 HydrophobicContact CD2-CG 3.68Å; F87-P104 HydrophobicContact CE1-CB 3.73Å; F87-P104 HydrophobicContact CE1-CG 4.17Å; F87-P104 HydrophobicContact CE2-CB 4.02Å; F87-P104 HydrophobicContact CE2-CG 3.49Å; F87-P104 VanDerWaalsContact CE2-CG 3.49Å; F87-P104 HydrophobicContact CG-CB 4.11Å; F87-P104 HydrophobicContact CG-CG 4.13Å; F87-P104 HydrophobicContact CZ-CB 3.79Å; F87-P104 HydrophobicContact CZ-CG 3.74Å |
| 105 | R | 91.4 | Very high | 83.7 | Confident | 169 Ų | 169 | 109.2 Ų | 109.2 | 64% | 0.638 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 117.5 | 175.7 | -63.5 | -178.4 | 178.6 | -170.1 | -3.6 | 108 | I89 L103 | I89-R105 VanDerWaalsContact CD1-NH2 3.32Å; L103-R105 PolarHBondContact O-N 3.03Å |
| 106 | L | 91.6 | Very high | 82 | Confident | 157 Ų | 157 | 106 Ų | 106 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 134.8 | 173.7 | -55.8 | 179.7 | 0 | 0 | 0 | 108.2 | ||
| 107 | E | 87.8 | Confident | 80.6 | Confident | 166 Ų | 166 | 109.1 Ų | 109.1 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.9 | 170.3 | -69.6 | -57.8 | 138.5 | 0 | 0 | 109.2 | L109 | E107-L109 PolarHBondContact O-N 3.44Š|
| 108 | P | 84.3 | Confident | 79 | Confident | 113 Ų | 113 | 110.7 Ų | 110.7 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.4 | 176.7 | -22.4 | 31.8 | 0 | 0 | 0 | 110.1 | ||
| 109 | L | 80.9 | Confident | 77.4 | Confident | 156 Ų | 156 | 115.6 Ų | 115.6 | 82% | 0.817 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 140.6 | 168.7 | -117.9 | 74.6 | 0 | 0 | 0 | 108.3 | E107 S111 | E107-L109 PolarHBondContact O-N 3.44Å; L109-S111 PolarHBondContact O-N 2.88Å |
| 110 | P | 79 | Confident | 75.8 | Confident | 120 Ų | 120 | 119.4 Ų | 119.4 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | trans | -57.1 | 108 | 171 | 23.7 | -32.3 | 0 | 0 | 0 | 108 | ||||
| 111 | S | 72.5 | Confident | 74.2 | Confident | 105 Ų | 105 | 119.9 Ų | 119.9 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -61.1 | 129.2 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | L109 A113 | L109-S111 PolarHBondContact O-N 2.88Å; S111-A113 PolarHBondContact O-N 3.43Å | ||
| 112 | P | 72.4 | Confident | 72.9 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -60.2 | 115.3 | 171.8 | 24.8 | -31.1 | 0 | 0 | 0 | 107.3 | T114 | P112-T114 PolarHBondContact O-N 2.93Š| ||
| 113 | A | 60.2 | Low | 71.6 | Confident | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -46.3 | 118.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S111 T115 | S111-A113 PolarHBondContact O-N 3.43Å; A113-T115 PolarHBondContact O-N 3.21Å | ||
| 114 | T | 60 | Low | 69.8 | Low | 134 Ų | 134 | 122.7 Ų | 122.7 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -62.7 | 105.1 | 160.7 | 39.9 | 0 | 0 | 0 | 0 | 106.4 | P112 | P112-T114 PolarHBondContact O-N 2.93Š| ||
| 115 | T | 58.8 | Low | 68.4 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | -50.4 | 125.7 | 165.3 | 27.2 | 0 | 0 | 0 | 0 | 108.4 | A113 T117 | A113-T115 PolarHBondContact O-N 3.21Å; T115-T117 VanDerWaalsContact C-N 3.34Å; T115-T117 PolarHBondContact O-N 3.09Å | ||
| 116 | P | 55.4 | Low | 67 | Low | 119 Ų | 119 | 124.5 Ų | 124.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 95.9 | 169.8 | 27.8 | -30.1 | 0 | 0 | 0 | 107.7 | T118 | P116-T118 PolarHBondContact O-N 3.47Š| ||
| 117 | T | 55.7 | Low | 66 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 94.9 | 165.7 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | T115 P119 | T115-T117 VanDerWaalsContact C-N 3.34Å; T115-T117 PolarHBondContact O-N 3.09Å; T117-P119 WeakPolarHBondContact O-CD 3.49Å | ||
| 118 | T | 57.3 | Low | 64.9 | Low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -78.6 | 117.2 | 160.7 | 20.2 | 0 | 0 | 0 | 0 | 107.7 | P116 N120 | P116-T118 PolarHBondContact O-N 3.47Å; T118-N120 PolarHBondContact O-N 2.87Å | ||
| 119 | P | 55.1 | Low | 63.6 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 91.7 | 169.6 | 31.5 | -27 | 0 | 0 | 0 | 107.8 | T117 A121 | T117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-A121 PolarHBondContact O-N 3.13Å | ||
| 120 | N | 56.8 | Low | 62.8 | Low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -84 | 84.8 | 168.3 | -163.1 | 25.4 | 0 | 0 | 0 | 108.8 | T118 | T118-N120 PolarHBondContact O-N 2.87Š| ||
| 121 | A | 58.9 | Low | 61.9 | Low | 78 Ų | 78 | 128.9 Ų | 128.9 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | -84.3 | 125.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | P119 | P119-A121 PolarHBondContact O-N 3.13Š| ||
| 122 | P | 66.2 | Low | 61.3 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 134.4 | 174.5 | 29 | -31.2 | 0 | 0 | 0 | 110.4 | S124 | P122-S124 PolarHBondContact O-N 2.66Š| ||
| 123 | P | 69 | Low | 60.7 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 109.4 | 169.7 | 28.6 | -30.6 | 0 | 0 | 0 | 109.8 | H125 | P123-H125 PolarHBondContact O-N 2.91Š| ||
| 124 | S | 59 | Low | 60.7 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -71.9 | 102.7 | 165.2 | 27.7 | 0 | 0 | 0 | 0 | 109.7 | P122 | P122-S124 PolarHBondContact O-N 2.66Š| ||
| 125 | H | 64.7 | Low | 60.8 | Low | 169 Ų | 169 | 133.7 Ų | 133.7 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -85.8 | 108.7 | 166.4 | -85 | -100.7 | 0 | 0 | 0 | 109.9 | P123 | P123-H125 PolarHBondContact O-N 2.91Š| ||
| 126 | S | 61.3 | Low | 60.9 | Low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -64 | 123 | 164.2 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 127 | I | 70.5 | Confident | 61.3 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -105.5 | 109.7 | 161.6 | -81.5 | 169.7 | 0 | 0 | 0 | 106.5 | ||||
| 128 | S | 64.1 | Low | 61.8 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -97.3 | 122.7 | 157.7 | -78.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 129 | K | 58.5 | Low | 62.2 | Low | 277 Ų | 277 | 138.4 Ų | 138.4 | 100% | 1.204 | 81% | 0.807 | S | S | * | * | trans | -148.2 | 0 | 145.6 | -84.1 | -161.1 | 178.7 | -178.8 | 0 | 108.2 |
Retrieved 129 of 129 residues in 70.1 ms
(Link to these results)