| 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 | 58.1 | Low | 68.3 | Low | 227 Ų | 227 | 118.1 Ų | 118.1 | 100% | 1.118 | 62% | 0.621 | S | S | * | * | 0 | -39.6 | 0 | -144.8 | 107 | 158.1 | 0 | 0 | 112.7 | E3 | M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.45Å | |||
| 2 | A | 66.3 | Low | 69.3 | Low | 77 Ų | 77 | 111.3 Ų | 111.3 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -11.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 3 | E | 65.6 | Low | 70.4 | Confident | 148 Ų | 148 | 110.5 Ų | 110.5 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -91 | -28.1 | -175.1 | -159.9 | 150 | -138.9 | 0 | 0 | 113.6 | M1 R6 | M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.45Å; E3-R6 IonicContact OE1-NH2 3.02Å |
| 4 | A | 67.4 | Low | 71.4 | Confident | 65 Ų | 65 | 109.3 Ų | 109.3 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.9 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K7 N8 | A4-K7 PolarHBondContact O-N 3Å; A4-N8 PolarHBondContact O-N 2.61Å; A4-N8 PolarHBondContact O-ND2 2.69Å |
| 5 | D | 69.1 | Low | 72.6 | Confident | 104 Ų | 104 | 108.3 Ų | 108.3 | 56% | 0.556 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -46.9 | -178.4 | -146.6 | 28.6 | 0 | 0 | 0 | 111.7 | K7 N8 D9 | D5-K7 PolarHBondContact O-N 2.72Å; D5-N8 PolarHBondContact O-N 2.69Å; D5-N8 VanDerWaalsContact O-N 3.14Å; D5-D9 PolarHBondContact O-N 3.02Å; D5-D9 VanDerWaalsContact O-N 3.07Å |
| 6 | R | 69.6 | Low | 73.7 | Confident | 163 Ų | 163 | 107.1 Ų | 107.1 | 62% | 0.615 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.3 | -30.9 | 176.1 | -68.8 | -170.4 | -66.9 | 166.8 | 2.6 | 113.6 | E3 A10 | E3-R6 IonicContact OE1-NH2 3.02Å; R6-A10 WeakPolarHBondContact O-CB 3.45Å; R6-A10 PolarHBondContact O-N 3.01Å |
| 7 | K | 69.2 | Low | 74.7 | Confident | 147 Ų | 147 | 105.3 Ų | 105.3 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.4 | -39.8 | 179.1 | -167.5 | 177.9 | 177.4 | -176.3 | 0 | 111.3 | A4 D5 A10 E11 | A4-K7 PolarHBondContact O-N 3Å; D5-K7 PolarHBondContact O-N 2.72Å; K7-A10 PolarHBondContact O-N 2.72Å; K7-E11 WeakPolarHBondContact O-CB 3.47Å; K7-E11 PolarHBondContact O-N 2.96Å |
| 8 | N | 68.8 | Low | 75.8 | Confident | 99 Ų | 99 | 104.6 Ų | 104.6 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -42.1 | 176.2 | -63.9 | -32.8 | 0 | 0 | 0 | 111.5 | A4 D5 E11 G12 | A4-N8 PolarHBondContact O-N 2.61Å; A4-N8 PolarHBondContact O-ND2 2.69Å; D5-N8 PolarHBondContact O-N 2.69Å; D5-N8 VanDerWaalsContact O-N 3.14Å; N8-E11 PolarHBondContact O-N 3.35Å; N8-G12 PolarHBondContact O-N 3.13Å |
| 9 | D | 72.2 | Confident | 76.7 | Confident | 111 Ų | 111 | 106.4 Ų | 106.4 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.3 | -43.4 | 176 | -71.4 | -23 | 0 | 0 | 0 | 111.9 | D5 G12 N13 | D5-D9 PolarHBondContact O-N 3.02Å; D5-D9 VanDerWaalsContact O-N 3.07Å; D9-G12 PolarHBondContact O-N 3.35Å; D9-N13 WeakPolarHBondContact O-CB 2.89Å; D9-N13 PolarHBondContact O-N 3.18Å |
| 10 | A | 72.5 | Confident | 77.6 | Confident | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R6 K7 N13 N14 | R6-A10 WeakPolarHBondContact O-CB 3.45Å; R6-A10 PolarHBondContact O-N 3.01Å; K7-A10 PolarHBondContact O-N 2.72Å; A10-N13 PolarHBondContact O-N 3.31Å; A10-N14 WeakPolarHBondContact O-CB 3.42Å; A10-N14 PolarHBondContact O-N 3.29Å; A10-N14 PolarHBondContact O-ND2 3.35Å; A10-N14 VanDerWaalsContact O-ND2 3.15Å |
| 11 | E | 72.6 | Confident | 78.5 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -40 | 177.2 | -168 | 166.3 | -178.6 | 0 | 0 | 111.8 | K7 N8 N14 N15 | K7-E11 WeakPolarHBondContact O-CB 3.47Å; K7-E11 PolarHBondContact O-N 2.96Å; N8-E11 PolarHBondContact O-N 3.35Å; E11-N14 PolarHBondContact O-N 3.16Å; E11-N15 PolarHBondContact O-N 3.19Å; E11-N15 PolarHBondContact O-ND2 2.85Å |
| 12 | G | 79.9 | Confident | 80.3 | Confident | 36 Ų | 36 | 96.5 Ų | 96.5 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N8 D9 N14 N15 V16 | N8-G12 PolarHBondContact O-N 3.13Å; D9-G12 PolarHBondContact O-N 3.35Å; G12-N14 PolarHBondContact O-N 3.26Å; G12-N15 PolarHBondContact O-N 2.64Å; G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.24Å; G12-V16 VanDerWaalsContact O-N 3.13Å |
| 13 | N | 83.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 99 Ų | 99 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.6 | -171.2 | 41.3 | 0 | 0 | 0 | 112.2 | D9 A10 N15 V16 V17 | D9-N13 WeakPolarHBondContact O-CB 2.89Å; D9-N13 PolarHBondContact O-N 3.18Å; A10-N13 PolarHBondContact O-N 3.31Å; N13-N15 VanDerWaalsContact C-N 3.33Å; N13-N15 PolarHBondContact O-N 2.9Å; N13-V16 PolarHBondContact O-N 3.2Å; N13-V17 WeakPolarHBondContact O-CG2 3.42Å; N13-V17 PolarHBondContact O-N 2.92Å |
| 14 | N | 85.1 | Confident | 83.2 | Confident | 94 Ų | 94 | 97.1 Ų | 97.1 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.5 | -70.2 | -25.8 | 0 | 0 | 0 | 111.9 | A10 E11 G12 V17 I18 | A10-N14 WeakPolarHBondContact O-CB 3.42Å; A10-N14 PolarHBondContact O-N 3.29Å; A10-N14 PolarHBondContact O-ND2 3.35Å; A10-N14 VanDerWaalsContact O-ND2 3.15Å; E11-N14 PolarHBondContact O-N 3.16Å; G12-N14 PolarHBondContact O-N 3.26Å; N14-V17 PolarHBondContact O-N 2.92Å; N14-I18 WeakPolarHBondContact O-CB 3.49Å; N14-I18 WeakPolarHBondContact O-CD1 3.45Å; N14-I18 WeakPolarHBondContact O-CG1 3.38Å; N14-I18 PolarHBondContact O-N 2.94Å |
| 15 | N | 89.2 | Confident | 84.6 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177 | -71.5 | -27.7 | 0 | 0 | 0 | 112.1 | E11 G12 N13 I18 E19 | E11-N15 PolarHBondContact O-N 3.19Å; E11-N15 PolarHBondContact O-ND2 2.85Å; G12-N15 PolarHBondContact O-N 2.64Å; N13-N15 VanDerWaalsContact C-N 3.33Å; N13-N15 PolarHBondContact O-N 2.9Å; N15-I18 PolarHBondContact O-N 2.82Å; N15-E19 WeakPolarHBondContact O-CB 2.99Å; N15-E19 PolarHBondContact O-N 3.03Å |
| 16 | V | 90.2 | Very high | 85.9 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | G12 N13 E19 A20 | G12-V16 WeakPolarHBondContact O-CG2 3.26Å; G12-V16 PolarHBondContact O-N 3.24Å; G12-V16 VanDerWaalsContact O-N 3.13Å; N13-V16 PolarHBondContact O-N 3.2Å; V16-E19 PolarHBondContact O-N 3.27Å; V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.34Å |
| 17 | V | 91.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | N13 N14 E19 A20 V21 | N13-V17 WeakPolarHBondContact O-CG2 3.42Å; N13-V17 PolarHBondContact O-N 2.92Å; N14-V17 PolarHBondContact O-N 2.92Å; V17-E19 VanDerWaalsContact C-N 3.34Å; V17-E19 PolarHBondContact O-N 2.93Å; V17-A20 PolarHBondContact O-N 2.8Å; V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.15Å |
| 18 | I | 93.2 | Very high | 88.6 | Confident | 93 Ų | 93 | 92.4 Ų | 92.4 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.4 | -69.4 | 164.3 | 0 | 0 | 0 | 110.8 | N14 N15 V21 N22 | N14-I18 WeakPolarHBondContact O-CB 3.49Å; N14-I18 WeakPolarHBondContact O-CD1 3.45Å; N14-I18 WeakPolarHBondContact O-CG1 3.38Å; N14-I18 PolarHBondContact O-N 2.94Å; N15-I18 PolarHBondContact O-N 2.82Å; I18-V21 PolarHBondContact O-N 2.85Å; I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.25Å; I18-N22 PolarHBondContact O-N 2.95Å; I18-N22 PolarHBondContact O-ND2 2.82Å |
| 19 | E | 94 | Very high | 89.9 | Confident | 138 Ų | 138 | 91.4 Ų | 91.4 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -45.2 | 176.9 | -171.1 | 178.7 | -179.3 | 0 | 0 | 112 | N15 V16 V17 V21 N22 H23 | N15-E19 WeakPolarHBondContact O-CB 2.99Å; N15-E19 PolarHBondContact O-N 3.03Å; V16-E19 PolarHBondContact O-N 3.27Å; V17-E19 VanDerWaalsContact C-N 3.34Å; V17-E19 PolarHBondContact O-N 2.93Å; E19-V21 PolarHBondContact O-N 3.35Å; E19-N22 PolarHBondContact O-N 3.26Å; E19-H23 WeakPolarHBondContact O-CB 3.45Å; E19-H23 PolarHBondContact O-N 3.02Å |
| 20 | A | 94.2 | Very high | 91.1 | Very high | 59 Ų | 59 | 89.1 Ų | 89.1 | 49% | 0.488 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V16 V17 H23 L24 | V16-A20 WeakPolarHBondContact O-CB 3.47Å; V16-A20 PolarHBondContact O-N 3.34Å; V17-A20 PolarHBondContact O-N 2.8Å; A20-H23 PolarHBondContact O-N 2.81Å; A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.97Å |
| 21 | V | 95.7 | Very high | 92.3 | Very high | 79 Ų | 79 | 90 Ų | 90 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | V17 I18 E19 L24 T25 | V17-V21 HydrophobicContact CG1-CG2 4.4Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.15Å; I18-V21 PolarHBondContact O-N 2.85Å; E19-V21 PolarHBondContact O-N 3.35Å; V21-L24 PolarHBondContact O-N 3.01Å; V21-T25 VanDerWaalsContact O-CB 3.3Å; V21-T25 WeakPolarHBondContact O-CB 3.43Å; V21-T25 PolarHBondContact O-N 3.05Å; V21-T25 PolarHBondContact O-OG1 3.13Å |
| 22 | N | 95.8 | Very high | 93.5 | Very high | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.6 | -76.4 | -20.4 | 0 | 0 | 0 | 111.9 | I18 E19 T25 T26 | I18-N22 WeakPolarHBondContact O-CB 3.5Å; I18-N22 VanDerWaalsContact O-CG 3.25Å; I18-N22 PolarHBondContact O-N 2.95Å; I18-N22 PolarHBondContact O-ND2 2.82Å; E19-N22 PolarHBondContact O-N 3.26Å; N22-T25 PolarHBondContact O-N 3.32Å; N22-T26 WeakPolarHBondContact O-CB 3Å; N22-T26 PolarHBondContact O-N 2.93Å; N22-T26 PolarHBondContact O-OG1 2.85Å |
| 23 | H | 96.9 | Very high | 94.3 | Very high | 129 Ų | 129 | 90.4 Ų | 90.4 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -48.6 | 176.5 | -174.1 | 69.7 | 0 | 0 | 0 | 111.5 | E19 A20 T25 T26 Q27 | E19-H23 WeakPolarHBondContact O-CB 3.45Å; E19-H23 PolarHBondContact O-N 3.02Å; A20-H23 PolarHBondContact O-N 2.81Å; H23-T25 VanDerWaalsContact C-N 3.34Å; H23-T25 PolarHBondContact O-N 3.01Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.99Å; H23-Q27 WeakPolarHBondContact O-CB 3.46Å; H23-Q27 PolarHBondContact O-N 3.02Å |
| 24 | L | 96.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.2 | -44.2 | 176.5 | 178.5 | 61.2 | 0 | 0 | 0 | 111.6 | A20 V21 T26 Q27 L28 | A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.97Å; V21-L24 PolarHBondContact O-N 3.01Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.23Å; L24-Q27 PolarHBondContact O-N 2.81Å; L24-L28 WeakPolarHBondContact O-CB 3.28Å; L24-L28 PolarHBondContact O-N 3.22Å |
| 25 | T | 96.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 95.1 Ų | 95.1 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | V21 N22 H23 T29 | V21-T25 VanDerWaalsContact O-CB 3.3Å; V21-T25 WeakPolarHBondContact O-CB 3.43Å; V21-T25 PolarHBondContact O-N 3.05Å; V21-T25 PolarHBondContact O-OG1 3.13Å; N22-T25 PolarHBondContact O-N 3.32Å; H23-T25 VanDerWaalsContact C-N 3.34Å; H23-T25 PolarHBondContact O-N 3.01Å; T25-T29 WeakPolarHBondContact O-CB 3.37Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 3.27Å |
| 26 | T | 97 | Very high | 95.8 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | N22 H23 L24 T29 A30 | N22-T26 WeakPolarHBondContact O-CB 3Å; N22-T26 PolarHBondContact O-N 2.93Å; N22-T26 PolarHBondContact O-OG1 2.85Å; H23-T26 WeakPolarHBondContact O-CB 3.49Å; H23-T26 PolarHBondContact O-N 2.99Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 3.23Å; T26-T29 PolarHBondContact O-N 3.42Å; T26-A30 WeakPolarHBondContact O-CB 3.35Å; T26-A30 PolarHBondContact O-N 3.42Å |
| 27 | Q | 97.8 | Very high | 96 | Very high | 111 Ų | 111 | 93.8 Ų | 93.8 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 179.8 | -169.6 | -179.4 | 17.3 | 0 | 0 | 112.1 | H23 L24 A30 S31 | H23-Q27 WeakPolarHBondContact O-CB 3.46Å; H23-Q27 PolarHBondContact O-N 3.02Å; L24-Q27 PolarHBondContact O-N 2.81Å; Q27-A30 PolarHBondContact O-N 2.74Å; Q27-S31 WeakPolarHBondContact O-CB 3.41Å; Q27-S31 PolarHBondContact O-N 3.38Å; Q27-S31 PolarHBondContact O-OG 2.88Å |
| 28 | L | 97.5 | Very high | 96.2 | Very high | 100 Ų | 100 | 91.8 Ų | 91.8 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.1 | -177.7 | 62.2 | 0 | 0 | 0 | 111 | L24 A30 S31 L32 | L24-L28 WeakPolarHBondContact O-CB 3.28Å; L24-L28 PolarHBondContact O-N 3.22Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.03Å; L28-S31 PolarHBondContact O-N 2.68Å; L28-L32 HydrophobicContact CD1-CD1 4.06Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.93Å |
| 29 | T | 96.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 92 Ų | 92 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | T25 T26 S31 T33 | T25-T29 WeakPolarHBondContact O-CB 3.37Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 3.27Å; T26-T29 PolarHBondContact O-N 3.42Å; T29-S31 PolarHBondContact O-N 3.31Å; T29-T33 WeakPolarHBondContact O-CB 3.21Å; T29-T33 PolarHBondContact O-N 3.45Å; T29-T33 PolarHBondContact O-OG1 3.14Å |
| 30 | A | 97 | Very high | 96.2 | Very high | 62 Ų | 62 | 93.4 Ų | 93.4 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | T26 Q27 L28 T33 Y34 | T26-A30 WeakPolarHBondContact O-CB 3.35Å; T26-A30 PolarHBondContact O-N 3.42Å; Q27-A30 PolarHBondContact O-N 2.74Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.03Å; A30-T33 PolarHBondContact O-N 2.89Å; A30-Y34 WeakPolarHBondContact O-CB 3.35Å; A30-Y34 PolarHBondContact O-N 3.36Å |
| 31 | S | 97.2 | Very high | 96.1 | Very high | 67 Ų | 67 | 98.1 Ų | 98.1 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | -179 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | Q27 L28 T29 Y34 L35 | Q27-S31 WeakPolarHBondContact O-CB 3.41Å; Q27-S31 PolarHBondContact O-N 3.38Å; Q27-S31 PolarHBondContact O-OG 2.88Å; L28-S31 PolarHBondContact O-N 2.68Å; T29-S31 PolarHBondContact O-N 3.31Å; S31-Y34 PolarHBondContact O-N 3.05Å; S31-L35 PolarHBondContact O-N 2.94Å |
| 32 | L | 97.3 | Very high | 95.8 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 176.7 | -68.7 | 175.6 | 0 | 0 | 0 | 111.7 | L28 Y34 L35 I36 | L28-L32 HydrophobicContact CD1-CD1 4.06Å; L28-L32 HydrophobicContact CD1-CG 4.1Å; L28-L32 HydrophobicContact CG-CD1 3.93Å; L28-L32 HydrophobicContact CG-CG 4.36Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.36Å; L28-L32 PolarHBondContact O-N 2.93Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 3.46Å; L32-L35 PolarHBondContact O-N 3.42Å; L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CD1 3.48Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.98Å |
| 33 | T | 96.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 101.2 Ų | 101.2 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | T29 A30 L35 I36 D37 | T29-T33 WeakPolarHBondContact O-CB 3.21Å; T29-T33 PolarHBondContact O-N 3.45Å; T29-T33 PolarHBondContact O-OG1 3.14Å; A30-T33 PolarHBondContact O-N 2.89Å; T33-L35 PolarHBondContact O-N 2.97Å; T33-I36 PolarHBondContact O-N 3.26Å; T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 3.22Å |
| 34 | Y | 96.6 | Very high | 95 | Very high | 191 Ų | 191 | 97.6 Ų | 97.6 | 75% | 0.749 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 177.5 | -178.6 | -96.8 | 0 | 0 | 0 | 112.5 | A30 S31 L32 D37 G38 | A30-Y34 WeakPolarHBondContact O-CB 3.35Å; A30-Y34 PolarHBondContact O-N 3.36Å; S31-Y34 PolarHBondContact O-N 3.05Å; L32-Y34 VanDerWaalsContact C-N 3.35Å; L32-Y34 PolarHBondContact O-N 3.46Å; Y34-D37 PolarHBondContact O-N 3.02Å; Y34-G38 PolarHBondContact O-N 2.99Å |
| 35 | L | 96.6 | Very high | 94.5 | Very high | 104 Ų | 104 | 95.2 Ų | 95.2 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 178.4 | -178.6 | 62.9 | 0 | 0 | 0 | 111.7 | S31 L32 T33 D37 G38 L39 | S31-L35 PolarHBondContact O-N 2.94Å; L32-L35 PolarHBondContact O-N 3.42Å; T33-L35 PolarHBondContact O-N 2.97Å; L35-D37 PolarHBondContact O-N 3.34Å; L35-G38 PolarHBondContact O-N 3.14Å; L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.22Å; L35-L39 PolarHBondContact O-N 3.27Å |
| 36 | I | 96.4 | Very high | 93.7 | Very high | 84 Ų | 84 | 94.3 Ų | 94.3 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 179.3 | -69 | 165.4 | 0 | 0 | 0 | 110.8 | L32 T33 G38 L39 R40 | L32-I36 WeakPolarHBondContact O-CB 3.48Å; L32-I36 WeakPolarHBondContact O-CD1 3.48Å; L32-I36 VanDerWaalsContact O-CG1 3.22Å; L32-I36 WeakPolarHBondContact O-CG1 3.31Å; L32-I36 PolarHBondContact O-N 2.98Å; T33-I36 PolarHBondContact O-N 3.26Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-L39 PolarHBondContact O-N 3.44Å; I36-R40 HydrophobicContact CG2-CG 4.49Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.28Å; I36-R40 PolarHBondContact O-N 2.96Å |
| 37 | D | 95.2 | Very high | 92.7 | Very high | 71 Ų | 71 | 98.7 Ų | 98.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 176.6 | -79.8 | -16 | 0 | 0 | 0 | 112.3 | T33 Y34 L35 R40 K41 | T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 3.22Å; Y34-D37 PolarHBondContact O-N 3.02Å; L35-D37 PolarHBondContact O-N 3.34Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 3.37Å |
| 38 | G | 94.5 | Very high | 91.4 | Very high | 35 Ų | 35 | 97.3 Ų | 97.3 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y34 L35 I36 R40 K41 E42 | Y34-G38 PolarHBondContact O-N 2.99Å; L35-G38 PolarHBondContact O-N 3.14Å; I36-G38 VanDerWaalsContact C-N 3.34Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.27Å; G38-K41 PolarHBondContact O-N 2.96Å; G38-K41 VanDerWaalsContact O-N 3.14Å; G38-E42 PolarHBondContact O-N 2.81Å |
| 39 | L | 94.3 | Very high | 89.9 | Confident | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 178.4 | -68.4 | 171.9 | 0 | 0 | 0 | 112.4 | L35 I36 E42 L43 | L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.22Å; L35-L39 PolarHBondContact O-N 3.27Å; I36-L39 PolarHBondContact O-N 3.44Å; L39-E42 PolarHBondContact O-N 3.49Å; L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.39Å |
| 40 | R | 93.2 | Very high | 88 | Confident | 167 Ų | 167 | 101 Ų | 101 | 63% | 0.63 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175.4 | -77.9 | 173.7 | 170.6 | -174 | -3 | 112.3 | I36 D37 G38 A44 | I36-R40 HydrophobicContact CG2-CG 4.49Å; I36-R40 WeakPolarHBondContact O-CB 3.43Å; I36-R40 VanDerWaalsContact O-CG 3.28Å; I36-R40 WeakPolarHBondContact O-CG 3.28Å; I36-R40 PolarHBondContact O-N 2.96Å; D37-R40 PolarHBondContact O-N 3.49Å; G38-R40 VanDerWaalsContact C-N 3.31Å; G38-R40 PolarHBondContact O-N 3.27Å; R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.35Å |
| 41 | K | 92.1 | Very high | 86 | Confident | 159 Ų | 159 | 109 Ų | 109 | 69% | 0.691 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.1 | -42.8 | 176.6 | -73.9 | 172.9 | -178.1 | 174.8 | 0 | 111.5 | D37 G38 A44 A45 | D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 3.37Å; G38-K41 PolarHBondContact O-N 2.96Å; G38-K41 VanDerWaalsContact O-N 3.14Å; K41-A44 PolarHBondContact O-N 2.94Å; K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.07Å |
| 42 | E | 89.8 | Confident | 83.6 | Confident | 133 Ų | 133 | 114.1 Ų | 114.1 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.7 | -43.7 | 176.7 | -170 | 174.9 | 177.8 | 0 | 0 | 111.4 | G38 L39 A44 A45 A46 | G38-E42 PolarHBondContact O-N 2.81Å; L39-E42 PolarHBondContact O-N 3.49Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.23Å; E42-A45 WeakPolarHBondContact O-CB 3.19Å; E42-A45 PolarHBondContact O-N 3.49Å; E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.27Å |
| 43 | L | 90.1 | Very high | 80.9 | Confident | 105 Ų | 105 | 117.5 Ų | 117.5 | 55% | 0.55 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -39.2 | 174.5 | -177.6 | 63.8 | 0 | 0 | 0 | 112.4 | L39 R47 | L39-L43 VanDerWaalsContact O-CB 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.36Å; L39-L43 PolarHBondContact O-N 3.39Å; L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 WeakPolarHBondContact O-CG 3.32Å; L43-R47 PolarHBondContact O-N 3.39Å |
| 44 | A | 86.8 | Confident | 78.2 | Confident | 53 Ų | 53 | 119.4 Ų | 119.4 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.3 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R40 K41 E42 S48 | R40-A44 WeakPolarHBondContact O-CB 3.45Å; R40-A44 PolarHBondContact O-N 3.35Å; K41-A44 PolarHBondContact O-N 2.94Å; E42-A44 VanDerWaalsContact C-N 3.34Å; E42-A44 PolarHBondContact O-N 3.23Å; A44-S48 WeakPolarHBondContact O-CB 3.47Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 PolarHBondContact O-OG 3.14Å |
| 45 | A | 84.6 | Confident | 75.7 | Confident | 58 Ų | 58 | 116.4 Ų | 116.4 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.2 | -50 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K41 E42 R47 S48 E49 | K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.07Å; E42-A45 WeakPolarHBondContact O-CB 3.19Å; E42-A45 PolarHBondContact O-N 3.49Å; A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.99Å; A45-S48 PolarHBondContact O-N 3.38Å; A45-E49 PolarHBondContact O-N 3.32Å |
| 46 | A | 80.4 | Confident | 72.9 | Confident | 55 Ų | 55 | 121.7 Ų | 121.7 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59.1 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E42 S50 | E42-A46 WeakPolarHBondContact O-CB 3.36Å; E42-A46 PolarHBondContact O-N 3.27Å; A46-S50 PolarHBondContact O-N 2.98Å |
| 47 | R | 75.1 | Confident | 69.9 | Low | 188 Ų | 188 | 125.4 Ų | 125.4 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.5 | -32.9 | 174 | -83.5 | -174.5 | 172.5 | -167.9 | -1.4 | 113.6 | L43 A45 | L43-R47 WeakPolarHBondContact O-CB 3.33Å; L43-R47 WeakPolarHBondContact O-CG 3.32Å; L43-R47 PolarHBondContact O-N 3.39Å; A45-R47 VanDerWaalsContact C-N 3.3Å; A45-R47 PolarHBondContact O-N 2.99Å |
| 48 | S | 72.5 | Confident | 67 | Low | 82 Ų | 82 | 127.8 Ų | 127.8 | 57% | 0.573 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.9 | -40.7 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | A44 A45 S50 R51 | A44-S48 WeakPolarHBondContact O-CB 3.47Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-S48 PolarHBondContact O-OG 3.14Å; A45-S48 PolarHBondContact O-N 3.38Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3Å; S48-R51 PolarHBondContact O-N 2.85Å; S48-R51 VanDerWaalsContact O-N 3.13Å |
| 49 | E | 65.2 | Low | 64.1 | Low | 159 Ų | 159 | 132.7 Ų | 132.7 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.2 | -31.6 | 177.4 | -154.6 | 169 | -170.5 | 0 | 0 | 112.3 | A45 R51 | A45-E49 PolarHBondContact O-N 3.32Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.32Å |
| 50 | S | 57.7 | Low | 61.2 | Low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -67.3 | -23 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 114.3 | A46 S48 | A46-S50 PolarHBondContact O-N 2.98Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3Å |
| 51 | R | 54.1 | Low | 58.5 | Low | 232 Ų | 232 | 131.1 Ų | 131.1 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -91.9 | -2.5 | -170.4 | -156.1 | 170.5 | 173.4 | 171.6 | -1.7 | 114.7 | S48 E49 | S48-R51 PolarHBondContact O-N 2.85Å; S48-R51 VanDerWaalsContact O-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 3.32Å |
| 52 | E | 47.4 | Very low | 55.6 | Low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -94.4 | 6.8 | -177.1 | -144.5 | 174.3 | 163.6 | 0 | 0 | 114.9 | ||
| 53 | L | 39.8 | Very low | 52.8 | Low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 123.5 | 174.8 | -74.5 | 167.9 | 0 | 0 | 0 | 112.8 | ||
| 54 | P | 39.9 | Very low | 50 | Low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 156.3 | 177.2 | 31.7 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 55 | P | 43.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 123.4 | -172.5 | 31 | -33.1 | 0 | 0 | 0 | 112.2 | ||
| 56 | K | 38.5 | Very low | 45.3 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 94% | 0.935 | 75% | 0.75 | S | S | * | * | trans | -98.5 | 100.3 | 169.6 | -124.7 | -177.4 | -178.2 | -178 | 0 | 110.4 | ||||
| 57 | Q | 33 | Very low | 43.7 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 150 | 165.7 | -141.8 | -177.4 | -90.6 | 0 | 0 | 110.4 | ||||
| 58 | N | 33.7 | Very low | 41.9 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | trans | 116.5 | 120.1 | 148.3 | -58.9 | -14.9 | 0 | 0 | 0 | 118.8 | ||||
| 59 | D | 34.4 | Very low | 39.8 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 88.6 | 97.4 | 137.2 | -58.5 | -27.6 | 0 | 0 | 0 | 122.1 | ||||
| 60 | T | 34.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | 37.6 | 109.6 | 115.9 | -45.6 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 61 | S | 34.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | -173.9 | 113.1 | 127.4 | -81.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 62 | V | 33.1 | Very low | 36.9 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | 82.1 | 126 | 113.4 | -176 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 63 | S | 29.4 | Very low | 36.5 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -27.5 | 137.2 | 165.2 | -56.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 64 | N | 31.5 | Very low | 36.5 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | -162.9 | 129.2 | 110.4 | -95 | -15.9 | 0 | 0 | 0 | 112.4 | I66 | N64-I66 PolarHBondContact O-N 3.47Š| |||
| 65 | T | 32.3 | Very low | 36.5 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -36.5 | 120.2 | 154.9 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 66 | I | 41.6 | Very low | 36.5 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | -172.8 | 112.3 | 127.4 | -83.5 | 148.2 | 0 | 0 | 0 | 105.4 | N64 A68 | N64-I66 PolarHBondContact O-N 3.47Å; I66-A68 PolarHBondContact O-N 3.34Å | |||
| 67 | E | 45.6 | Very low | 36.8 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -61.9 | 94.1 | 172.1 | -78.9 | 172.1 | 125.9 | 0 | 0 | 109.9 | ||||
| 68 | A | 38.4 | Very low | 37.5 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | 167.9 | 82.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I66 | I66-A68 PolarHBondContact O-N 3.34Š| ||
| 69 | Q | 28.6 | Very low | 38.6 | Very low | 185 Ų | 185 | 119.4 Ų | 119.4 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -142.5 | 145.4 | 151.7 | -120.7 | -162.9 | -83.2 | 0 | 0 | 106.9 | ||
| 70 | P | 36.9 | Very low | 39.8 | Very low | 87 Ų | 87 | 118.7 Ų | 118.7 | 57% | 0.565 | 73% | 0.73 | S | S | * | * | trans | -60 | 159.6 | -163.2 | 30.3 | -35.1 | 0 | 0 | 0 | 109.6 | S72 | P70-S72 PolarHBondContact O-N 3.06Š| ||
| 71 | P | 40.3 | Very low | 41.2 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | trans | -51.3 | 99.7 | 174.6 | 21.6 | -31.4 | 0 | 0 | 0 | 107.7 | T73 | P71-T73 PolarHBondContact O-N 3.48Š| ||
| 72 | S | 36.9 | Very low | 42.6 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -56.5 | 117.3 | 173.1 | 179 | 0 | 0 | 0 | 0 | 102.4 | P70 V74 | P70-S72 PolarHBondContact O-N 3.06Å; S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 WeakPolarHBondContact O-CA 3.47Å; S72-V74 PolarHBondContact O-N 2.98Å | ||
| 73 | T | 39.8 | Very low | 44.1 | Very low | 131 Ų | 131 | 119 Ų | 119 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -10.7 | 92.2 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 108.2 | P71 A75 | P71-T73 PolarHBondContact O-N 3.48Å; T73-A75 PolarHBondContact O-N 3.44Å | ||
| 74 | V | 40.5 | Very low | 45.3 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | trans | -57.9 | 109.3 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 101.1 | S72 A76 | S72-V74 VanDerWaalsContact C-N 3.28Å; S72-V74 WeakPolarHBondContact O-CA 3.47Å; S72-V74 PolarHBondContact O-N 2.98Å; V74-A76 PolarHBondContact O-N 2.9Å | ||
| 75 | A | 40.1 | Very low | 46.8 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 97.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 102.1 | T73 I77 | T73-A75 PolarHBondContact O-N 3.44Å; A75-I77 HydrophobicContact CB-CD1 4.28Å; A75-I77 HydrophobicContact CB-CG1 4.15Å; A75-I77 PolarHBondContact O-N 3.19Å | ||
| 76 | A | 43 | Very low | 47.9 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | trans | -71.3 | 72.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | V74 | V74-A76 PolarHBondContact O-N 2.9Š| ||
| 77 | I | 44.8 | Very low | 48.5 | Very low | 162 Ų | 162 | 108.6 Ų | 108.6 | 83% | 0.831 | 66% | 0.656 | S | S | * | * | trans | -79.3 | -5.3 | 163.3 | -53.2 | 176.2 | 0 | 0 | 0 | 107.9 | A75 | A75-I77 HydrophobicContact CB-CD1 4.28Å; A75-I77 HydrophobicContact CB-CG1 4.15Å; A75-I77 PolarHBondContact O-N 3.19Å | ||
| 78 | G | 46.9 | Very low | 48.8 | Very low | 32 Ų | 32 | 104.7 Ų | 104.7 | 33% | 0.33 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -79.4 | 151.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D82 | G78-D82 VanDerWaalsContact C-OD2 3.31Å; G78-D82 WeakPolarHBondContact CA-OD2 3.5Å |
| 79 | S | 57.4 | Low | 49.4 | Very low | 75 Ų | 75 | 109.6 Ų | 109.6 | 52% | 0.524 | 65% | 0.651 | S | S | . | * | trans | -54.3 | 153.2 | 173.7 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | D81 D82 | S79-D81 PolarHBondContact O-N 2.7Å; S79-D82 PolarHBondContact N-OD2 3.49Å; S79-D82 WeakPolarHBondContact O-CB 3.36Å; S79-D82 PolarHBondContact O-N 2.99Å | ||
| 80 | V | 60.3 | Low | 50.5 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -20.7 | 177.5 | 167.9 | 0 | 0 | 0 | 0 | 113 | W83 | V80-W83 PolarHBondContact O-NE1 2.94Š|
| 81 | D | 63.1 | Low | 51 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 50% | 0.503 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | -4.5 | -178.1 | -54 | -62.7 | 0 | 0 | 0 | 114.6 | S79 W83 I84 S85 | S79-D81 PolarHBondContact O-N 2.7Å; D81-W83 PolarHBondContact O-N 3.22Å; D81-I84 WeakPolarHBondContact O-CA 3.4Å; D81-I84 WeakPolarHBondContact O-CB 3.33Å; D81-I84 PolarHBondContact O-N 2.9Å; D81-S85 PolarHBondContact O-N 2.74Å |
| 82 | D | 63 | Low | 51.1 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 45% | 0.449 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.1 | -30.7 | -173.9 | -75 | -5.8 | 0 | 0 | 0 | 111.9 | G78 S79 I84 S85 G86 | G78-D82 VanDerWaalsContact C-OD2 3.31Å; G78-D82 WeakPolarHBondContact CA-OD2 3.5Å; S79-D82 PolarHBondContact N-OD2 3.49Å; S79-D82 WeakPolarHBondContact O-CB 3.36Å; S79-D82 PolarHBondContact O-N 2.99Å; D82-I84 PolarHBondContact O-N 3.41Å; D82-S85 WeakPolarHBondContact CA-OG 3.39Å; D82-S85 PolarHBondContact O-N 2.96Å; D82-S85 PolarHBondContact O-OG 3.43Å; D82-G86 PolarHBondContact O-N 2.73Å |
| 83 | W | 65.5 | Low | 51.6 | Low | 196 Ų | 196 | 110.2 Ų | 110.2 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.7 | -24.4 | 173.5 | 74.4 | -87 | 0 | 0 | 0 | 113.3 | V80 D81 | V80-W83 PolarHBondContact O-NE1 2.94Å; D81-W83 PolarHBondContact O-N 3.22Å |
| 84 | I | 54.6 | Low | 51.9 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 42% | 0.421 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -84.6 | -35.2 | 175.6 | -52 | 177.4 | 0 | 0 | 0 | 109.8 | D81 D82 G86 V87 | D81-I84 WeakPolarHBondContact O-CA 3.4Å; D81-I84 WeakPolarHBondContact O-CB 3.33Å; D81-I84 PolarHBondContact O-N 2.9Å; D82-I84 PolarHBondContact O-N 3.41Å; I84-G86 PolarHBondContact O-N 3.36Å; I84-V87 HydrophobicContact CG2-CG2 4.46Å; I84-V87 WeakPolarHBondContact O-CG2 3.48Å; I84-V87 PolarHBondContact O-N 3.46Å |
| 85 | S | 62.8 | Low | 52.1 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.6 | -23.4 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 113.6 | D81 D82 | D81-S85 PolarHBondContact O-N 2.74Å; D82-S85 WeakPolarHBondContact CA-OG 3.39Å; D82-S85 PolarHBondContact O-N 2.96Å; D82-S85 PolarHBondContact O-OG 3.43Å |
| 86 | G | 55.4 | Low | 52.5 | Low | 62 Ų | 62 | 109 Ų | 109 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -8.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D82 I84 D88 | D82-G86 PolarHBondContact O-N 2.73Å; I84-G86 PolarHBondContact O-N 3.36Å; G86-D88 PolarHBondContact O-N 2.76Å; G86-D88 VanDerWaalsContact O-N 3.15Å |
| 87 | V | 55.4 | Low | 53.1 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | trans | -84.7 | 87 | 174.1 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | I84 M89 | I84-V87 HydrophobicContact CG2-CG2 4.46Å; I84-V87 WeakPolarHBondContact O-CG2 3.48Å; I84-V87 PolarHBondContact O-N 3.46Å; V87-M89 PolarHBondContact O-N 2.96Å | ||
| 88 | D | 50.5 | Low | 53.5 | Low | 120 Ų | 120 | 107 Ų | 107 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | trans | -56.1 | 102.3 | 162.8 | -85.5 | -30.8 | 0 | 0 | 0 | 108.2 | G86 S90 T91 | G86-D88 PolarHBondContact O-N 2.76Å; G86-D88 VanDerWaalsContact O-N 3.15Å; D88-S90 PolarHBondContact O-N 2.91Å; D88-T91 PolarHBondContact O-N 3.23Å; D88-T91 PolarHBondContact O-OG1 2.92Å | ||
| 89 | M | 52.1 | Low | 53.8 | Low | 191 Ų | 191 | 109.6 Ų | 109.6 | 94% | 0.941 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -3.8 | 177.7 | -79.3 | -146.6 | 180 | 0 | 0 | 113.9 | V87 | V87-M89 PolarHBondContact O-N 2.96Š|
| 90 | S | 50.9 | Low | 54 | Low | 118 Ų | 118 | 108 Ų | 108 | 83% | 0.825 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -9.8 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | D88 N92 | D88-S90 PolarHBondContact O-N 2.91Å; S90-N92 PolarHBondContact O-N 3.28Å |
| 91 | T | 47.5 | Very low | 54.2 | Low | 95 Ų | 95 | 106 Ų | 106 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -75.7 | 97.2 | 170.8 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | D88 I93 | D88-T91 PolarHBondContact O-N 3.23Å; D88-T91 PolarHBondContact O-OG1 2.92Å; T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.44Å |
| 92 | N | 42.1 | Very low | 54.4 | Low | 142 Ų | 142 | 108.7 Ų | 108.7 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | trans | -43.2 | 101.6 | 162.7 | -175.5 | -1.7 | 0 | 0 | 0 | 108 | S90 S94 | S90-N92 PolarHBondContact O-N 3.28Å; N92-S94 PolarHBondContact O-N 3.42Å | ||
| 93 | I | 48.5 | Very low | 54.5 | Low | 157 Ų | 157 | 107 Ų | 107 | 81% | 0.805 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -70.2 | 50.1 | 176.9 | 43.1 | 166.8 | 0 | 0 | 0 | 110.2 | T91 | T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.44Å |
| 94 | S | 44.4 | Very low | 54.5 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | trans | -91.3 | 44.9 | 149.9 | -162.7 | 0 | 0 | 0 | 0 | 107.8 | N92 | N92-S94 PolarHBondContact O-N 3.42Š| ||
| 95 | S | 45.9 | Very low | 55.3 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -75.8 | 124.3 | 163.6 | -72.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 96 | P | 49.2 | Very low | 55.5 | Low | 102 Ų | 102 | 106.3 Ų | 106.3 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | trans | -56.6 | 145.7 | -179.2 | 22.7 | -31.5 | 0 | 0 | 0 | 109.6 | V98 | P96-V98 PolarHBondContact O-N 3.42Š| ||
| 97 | P | 54.1 | Low | 56.1 | Low | 96 Ų | 96 | 105 Ų | 105 | 62% | 0.623 | 61% | 0.612 | S | S | * | * | trans | -61 | 100.8 | -174.6 | 24.7 | -32.3 | 0 | 0 | 0 | 108.1 | P99 | P97-P99 WeakPolarHBondContact O-CD 3.3Š| ||
| 98 | V | 54 | Low | 56.4 | Low | 109 Ų | 109 | 106.2 Ų | 106.2 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | trans | -80.2 | 102.7 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 104.5 | P96 A100 Q114 | P96-V98 PolarHBondContact O-N 3.42Å; V98-A100 PolarHBondContact O-N 2.87Å; V98-Q114 PolarHBondContact O-NE2 2.89Å | ||
| 99 | P | 52.8 | Low | 57.3 | Low | 86 Ų | 86 | 105.4 Ų | 105.4 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | trans | -56.8 | 130.6 | 170.9 | 25.3 | -32.6 | 0 | 0 | 0 | 106.5 | P97 S101 | P97-P99 WeakPolarHBondContact O-CD 3.3Å; P99-S101 PolarHBondContact O-N 2.71Å; P99-S101 PolarHBondContact O-OG 2.84Å | ||
| 100 | A | 61.4 | Low | 57.9 | Low | 40 Ų | 40 | 100.5 Ų | 100.5 | 33% | 0.331 | 61% | 0.612 | S | S | . | * | trans | -55.3 | 88.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109 | V98 W102 L103 | V98-A100 PolarHBondContact O-N 2.87Å; A100-W102 PolarHBondContact O-N 3.4Å; A100-L103 HydrophobicContact CB-CB 4.32Å; A100-L103 HydrophobicContact CB-CD1 3.55Å; A100-L103 HydrophobicContact CB-CG 4.09Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 3.46Å | ||
| 101 | S | 64.4 | Low | 58.7 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 57% | 0.566 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.4 | -26.7 | -168.1 | -54 | 0 | 0 | 0 | 0 | 110.1 | P99 L103 A104 | P99-S101 PolarHBondContact O-N 2.71Å; P99-S101 PolarHBondContact O-OG 2.84Å; S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.37Å; S101-A104 VanDerWaalsContact O-CB 3.26Å; S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.93Å; S101-A104 VanDerWaalsContact O-N 3.16Å |
| 102 | W | 67.3 | Low | 59.8 | Low | 151 Ų | 151 | 102.5 Ų | 102.5 | 57% | 0.572 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -27.6 | 172 | 72 | -93.9 | 0 | 0 | 0 | 113.6 | A100 A104 D105 F106 | A100-W102 PolarHBondContact O-N 3.4Å; W102-A104 VanDerWaalsContact C-N 3.29Å; W102-D105 WeakPolarHBondContact O-CB 3.37Å; W102-D105 PolarHBondContact O-N 2.94Å; W102-F106 AromaticContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CE2 4.09Å; W102-F106 HydrophobicContact CZ3-CD2 4.22Å; W102-F106 HydrophobicContact CZ3-CE2 4.41Å; W102-F106 WeakPolarHBondContact O-CD2 3.28Å |
| 103 | L | 65.5 | Low | 61.1 | Low | 47 Ų | 47 | 101.6 Ų | 101.6 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -73.2 | -26.1 | 176.7 | -77.6 | 163.4 | 0 | 0 | 0 | 111.8 | A100 S101 D105 F106 A107 I112 | A100-L103 HydrophobicContact CB-CB 4.32Å; A100-L103 HydrophobicContact CB-CD1 3.55Å; A100-L103 HydrophobicContact CB-CG 4.09Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 3.46Å; S101-L103 VanDerWaalsContact C-N 3.27Å; S101-L103 PolarHBondContact O-N 3.37Å; L103-D105 PolarHBondContact O-N 2.94Å; L103-F106 PolarHBondContact O-N 3.45Å; L103-A107 PolarHBondContact O-N 3.35Å; L103-I112 HydrophobicContact CB-CD1 3.76Å; L103-I112 HydrophobicContact CD1-CD1 3.26Å; L103-I112 HydrophobicContact CD2-CD1 4.18Å; L103-I112 HydrophobicContact CG-CD1 3.89Å |
| 104 | A | 65.9 | Low | 62.2 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.8 | -29.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S101 W102 P108 | S101-A104 VanDerWaalsContact O-CB 3.26Å; S101-A104 WeakPolarHBondContact O-CB 3.4Å; S101-A104 PolarHBondContact O-N 2.93Å; S101-A104 VanDerWaalsContact O-N 3.16Å; W102-A104 VanDerWaalsContact C-N 3.29Å; A104-P108 WeakPolarHBondContact O-CA 3.47Å; A104-P108 WeakPolarHBondContact O-CG 3.46Å |
| 105 | D | 70.6 | Confident | 63.8 | Low | 134 Ų | 134 | 98.3 Ų | 98.3 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.5 | -31.6 | 177.7 | -60.4 | -33.5 | 0 | 0 | 0 | 112.5 | W102 L103 | W102-D105 WeakPolarHBondContact O-CB 3.37Å; W102-D105 PolarHBondContact O-N 2.94Å; L103-D105 PolarHBondContact O-N 2.94Å |
| 106 | F | 67.8 | Low | 65.4 | Low | 163 Ų | 163 | 99 Ų | 99 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -91.8 | -34.2 | -177.9 | -74.5 | -83.3 | 0 | 0 | 0 | 113.5 | W102 L103 | W102-F106 AromaticContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CD2 3.97Å; W102-F106 HydrophobicContact CE3-CE2 4.09Å; W102-F106 HydrophobicContact CZ3-CD2 4.22Å; W102-F106 HydrophobicContact CZ3-CE2 4.41Å; W102-F106 WeakPolarHBondContact O-CD2 3.28Å; L103-F106 PolarHBondContact O-N 3.45Å |
| 107 | A | 66.6 | Low | 67.1 | Low | 34 Ų | 34 | 95.9 Ų | 95.9 | 28% | 0.281 | 55% | 0.545 | S | S | . | . | trans | -142.1 | 75.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L103 A109 V110 | L103-A107 PolarHBondContact O-N 3.35Å; A107-A109 PolarHBondContact O-N 2.93Å; A107-V110 HydrophobicContact CB-CB 3.86Å; A107-V110 HydrophobicContact CB-CG2 3.59Å; A107-V110 PolarHBondContact O-N 3.28Å | ||
| 108 | P | 62.5 | Low | 68.5 | Low | 116 Ų | 116 | 93.9 Ų | 93.9 | 75% | 0.753 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.3 | -176.5 | -22.3 | 29.8 | 0 | 0 | 0 | 113.7 | A104 | A104-P108 WeakPolarHBondContact O-CA 3.47Å; A104-P108 WeakPolarHBondContact O-CG 3.46Å |
| 109 | A | 69.9 | Low | 70 | Confident | 102 Ų | 102 | 93.4 Ų | 93.4 | 84% | 0.843 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | A107 K111 | A107-A109 PolarHBondContact O-N 2.93Å; A109-K111 PolarHBondContact O-N 2.92Å |
| 110 | V | 64.8 | Low | 71.6 | Confident | 88 Ų | 88 | 96.3 Ų | 96.3 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | trans | -90.8 | 106.3 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 109 | A107 I112 | A107-V110 HydrophobicContact CB-CB 3.86Å; A107-V110 HydrophobicContact CB-CG2 3.59Å; A107-V110 PolarHBondContact O-N 3.28Å; V110-I112 HydrophobicContact CG1-CD1 4.45Å; V110-I112 HydrophobicContact CG1-CG1 3.72Å; V110-I112 PolarHBondContact O-N 3.47Å; V110-I112 VanDerWaalsContact O-N 3.13Å | ||
| 111 | K | 67.7 | Low | 72.7 | Confident | 164 Ų | 164 | 98 Ų | 98 | 71% | 0.713 | 54% | 0.539 | S | S | * | . | trans | -73.4 | 100.3 | 167 | -169.9 | -171.5 | -175.7 | -159 | 0 | 108.3 | A109 E113 | A109-K111 PolarHBondContact O-N 2.92Å; K111-E113 HydrophobicContact CD-CG 4.36Å; K111-E113 WeakPolarHBondContact CE-OE1 3.42Å; K111-E113 HydrophobicContact CG-CG 4.42Å; K111-E113 IonicContact NZ-OE1 2.68Å; K111-E113 PolarHBondContact NZ-OE1 3.47Å; K111-E113 PolarHBondContact O-N 3.38Å | ||
| 112 | I | 69.1 | Low | 73.9 | Confident | 92 Ų | 92 | 100.6 Ų | 100.6 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | trans | -85.1 | 104.1 | 171.9 | -56.6 | 179.1 | 0 | 0 | 0 | 107.4 | L103 V110 | L103-I112 HydrophobicContact CB-CD1 3.76Å; L103-I112 HydrophobicContact CD1-CD1 3.26Å; L103-I112 HydrophobicContact CD2-CD1 4.18Å; L103-I112 HydrophobicContact CG-CD1 3.89Å; V110-I112 HydrophobicContact CG1-CD1 4.45Å; V110-I112 HydrophobicContact CG1-CG1 3.72Å; V110-I112 PolarHBondContact O-N 3.47Å; V110-I112 VanDerWaalsContact O-N 3.13Å | ||
| 113 | E | 70.1 | Confident | 74.8 | Confident | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | trans | -79.7 | 127.6 | 167.3 | -74.5 | -173.2 | 166.7 | 0 | 0 | 109.2 | K111 | K111-E113 HydrophobicContact CD-CG 4.36Å; K111-E113 WeakPolarHBondContact CE-OE1 3.42Å; K111-E113 HydrophobicContact CG-CG 4.42Å; K111-E113 IonicContact NZ-OE1 2.68Å; K111-E113 PolarHBondContact NZ-OE1 3.47Å; K111-E113 PolarHBondContact O-N 3.38Å | ||
| 114 | Q | 71.2 | Confident | 75.8 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | trans | -70.3 | 137.4 | 174.7 | -69.8 | -175.6 | -7.3 | 0 | 0 | 109.6 | V98 | V98-Q114 PolarHBondContact O-NE2 2.89Š| ||
| 115 | F | 79.5 | Confident | 76.7 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 33% | 0.329 | 56% | 0.561 | S | S | . | * | trans | -106.6 | 125.4 | 175 | -175.8 | -125 | 0 | 0 | 0 | 109.3 | G117 H121 W122 F125 | F115-G117 PolarHBondContact O-N 3.33Å; F115-H121 HydrophobicContact CE2-CB 3.89Å; F115-W122 AromaticContact CE1-CD1 3.95Å; F115-W122 AromaticContact CE1-NE1 3.85Å; F115-W122 AromaticContact CZ-CD1 3.27Å; F115-W122 HydrophobicContact CZ-CG 4.03Å; F115-W122 AromaticContact CZ-NE1 3.65Å; F115-F125 HydrophobicContact CB-CD2 3.81Å; F115-F125 HydrophobicContact CB-CE2 3.86Å; F115-F125 HydrophobicContact CD1-CD1 4.41Å; F115-F125 HydrophobicContact CD1-CD2 4.15Å; F115-F125 HydrophobicContact CD1-CE2 4.29Å; F115-F125 HydrophobicContact CD1-CG 4.21Å; F115-F125 HydrophobicContact CD1-CZ 4.49Å; F115-F125 HydrophobicContact CD2-CB 3.74Å; F115-F125 AromaticContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CE2 4.49Å; F115-F125 AromaticContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CE1-CD1 4.19Å; F115-F125 HydrophobicContact CE1-CG 4.18Å; F115-F125 HydrophobicContact CE2-CB 3.41Å; F115-F125 VanDerWaalsContact CE2-CB 3.41Å; F115-F125 HydrophobicContact CE2-CD1 4.49Å; F115-F125 HydrophobicContact CE2-CD2 4.17Å; F115-F125 AromaticContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CG-CB 4.42Å; F115-F125 AromaticContact CG-CD2 3.62Å; F115-F125 HydrophobicContact CG-CD2 3.62Å; F115-F125 AromaticContact CG-CE2 3.99Å; F115-F125 HydrophobicContact CG-CE2 3.99Å; F115-F125 AromaticContact CG-CG 3.97Å; F115-F125 HydrophobicContact CG-CG 3.97Å; F115-F125 HydrophobicContact CZ-CB 3.81Å; F115-F125 HydrophobicContact CZ-CD1 4.18Å; F115-F125 AromaticContact CZ-CG 3.93Å; F115-F125 HydrophobicContact CZ-CG 3.93Å | ||
| 116 | D | 79.6 | Confident | 77.2 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 57% | 0.567 | 55% | 0.548 | S | S | * | . | trans | -77 | -3.5 | -178.4 | 65.7 | -8.6 | 0 | 0 | 0 | 113.2 | N118 H121 | D116-N118 VanDerWaalsContact CG-CB 3.49Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 WeakPolarHBondContact OD1-CB 3.48Å; D116-N118 PolarHBondContact OD1-N 3.31Å; D116-N118 WeakPolarHBondContact OD2-CB 3.42Å; D116-H121 IonicContact OD1-ND1 3.34Å; D116-H121 PolarHBondContact OD1-ND1 2.92Å; D116-H121 IonicContact OD2-CE1 3.53Å; D116-H121 PolarHBondContact OD2-CE1 3.13Å; D116-H121 IonicContact OD2-ND1 3.22Å; D116-H121 PolarHBondContact OD2-ND1 2.99Å | ||
| 117 | G | 84.1 | Confident | 77.9 | Confident | 38 Ų | 38 | 97.3 Ų | 97.3 | 39% | 0.392 | 53% | 0.53 | S | S | . | . | trans | 74 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F115 P119 W122 | F115-G117 PolarHBondContact O-N 3.33Å; G117-P119 WeakPolarHBondContact O-CD 3.46Å; G117-W122 PolarHBondContact O-NE1 2.9Å; G117-W122 VanDerWaalsContact O-NE1 3.14Å | ||
| 118 | N | 83.6 | Confident | 78.5 | Confident | 53 Ų | 53 | 98.6 Ų | 98.6 | 28% | 0.283 | 54% | 0.537 | S | S | . | . | trans | -66.9 | 120.6 | -175.7 | -178.8 | -14.5 | 0 | 0 | 0 | 110.4 | D116 L120 H121 | D116-N118 VanDerWaalsContact CG-CB 3.49Å; D116-N118 PolarHBondContact O-N 3.3Å; D116-N118 WeakPolarHBondContact OD1-CB 3.48Å; D116-N118 PolarHBondContact OD1-N 3.31Å; D116-N118 WeakPolarHBondContact OD2-CB 3.42Å; N118-L120 PolarHBondContact O-N 3.44Å; N118-L120 WeakPolarHBondContact OD1-CB 3.21Å; N118-L120 PolarHBondContact OD1-N 3.35Å; N118-H121 PolarHBondContact O-N 3.05Å | ||
| 119 | P | 85.6 | Confident | 79.2 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 64% | 0.643 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -48 | -32.3 | 178.4 | -30.4 | 37.2 | 0 | 0 | 0 | 114.9 | G117 H121 W122 | G117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-H121 PolarHBondContact O-N 2.98Å; P119-W122 WeakPolarHBondContact O-CB 3.33Å; P119-W122 PolarHBondContact O-N 3.39Å |
| 120 | L | 86.1 | Confident | 79.5 | Confident | 148 Ų | 148 | 103.1 Ų | 103.1 | 78% | 0.775 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -67.9 | -20.7 | 178.7 | -64 | 173.6 | 0 | 0 | 0 | 113.7 | N118 | N118-L120 PolarHBondContact O-N 3.44Å; N118-L120 WeakPolarHBondContact OD1-CB 3.21Å; N118-L120 PolarHBondContact OD1-N 3.35Å |
| 121 | H | 85.2 | Confident | 79.5 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 35% | 0.347 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -100.8 | -1.1 | -179.9 | -57.3 | 150.7 | 0 | 0 | 0 | 113 | F115 D116 N118 P119 D123 M124 F125 | F115-H121 HydrophobicContact CE2-CB 3.89Å; D116-H121 IonicContact OD1-ND1 3.34Å; D116-H121 PolarHBondContact OD1-ND1 2.92Å; D116-H121 IonicContact OD2-CE1 3.53Å; D116-H121 PolarHBondContact OD2-CE1 3.13Å; D116-H121 IonicContact OD2-ND1 3.22Å; D116-H121 PolarHBondContact OD2-ND1 2.99Å; N118-H121 PolarHBondContact O-N 3.05Å; P119-H121 PolarHBondContact O-N 2.98Å; H121-D123 VanDerWaalsContact C-N 3.34Å; H121-D123 PolarHBondContact O-N 3.15Å; H121-M124 PolarHBondContact O-N 3.45Å; H121-F125 PolarHBondContact O-N 2.97Å |
| 122 | W | 88.8 | Confident | 79 | Confident | 135 Ų | 135 | 106.4 Ų | 106.4 | 51% | 0.511 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -41 | -176.2 | -79.2 | 35 | 0 | 0 | 0 | 112.2 | F115 G117 P119 M124 F125 I126 | F115-W122 AromaticContact CE1-CD1 3.95Å; F115-W122 AromaticContact CE1-NE1 3.85Å; F115-W122 AromaticContact CZ-CD1 3.27Å; F115-W122 HydrophobicContact CZ-CG 4.03Å; F115-W122 AromaticContact CZ-NE1 3.65Å; G117-W122 PolarHBondContact O-NE1 2.9Å; G117-W122 VanDerWaalsContact O-NE1 3.14Å; P119-W122 WeakPolarHBondContact O-CB 3.33Å; P119-W122 PolarHBondContact O-N 3.39Å; W122-M124 VanDerWaalsContact C-N 3.31Å; W122-M124 PolarHBondContact O-N 3.27Å; W122-F125 PolarHBondContact O-N 3.48Å; W122-I126 HydrophobicContact CB-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.48Å; W122-I126 WeakPolarHBondContact O-CG1 3.48Å; W122-I126 PolarHBondContact O-N 3.38Å |
| 123 | D | 87 | Confident | 79.5 | Confident | 140 Ų | 140 | 107.2 Ų | 107.2 | 75% | 0.749 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.5 | -39.5 | 179.4 | -72 | -31 | 0 | 0 | 0 | 112.2 | H121 G127 | H121-D123 VanDerWaalsContact C-N 3.34Å; H121-D123 PolarHBondContact O-N 3.15Å; D123-G127 PolarHBondContact O-N 3.07Å |
| 124 | M | 86.1 | Confident | 80 | Confident | 141 Ų | 141 | 106.4 Ų | 106.4 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.4 | -47.7 | 175.7 | -172.9 | -177 | -55.7 | 0 | 0 | 110.8 | H121 W122 I126 G127 S128 | H121-M124 PolarHBondContact O-N 3.45Å; W122-M124 VanDerWaalsContact C-N 3.31Å; W122-M124 PolarHBondContact O-N 3.27Å; M124-I126 PolarHBondContact O-N 2.97Å; M124-G127 PolarHBondContact O-N 3.24Å; M124-S128 PolarHBondContact O-N 3.14Å; M124-S128 VanDerWaalsContact O-N 3.07Å; M124-S128 PolarHBondContact O-OG 3.18Å |
| 125 | F | 84.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 106 Ų | 106 | 36% | 0.36 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.9 | -46.3 | 178.1 | 175.5 | -99.4 | 0 | 0 | 0 | 112.4 | F115 H121 W122 G127 S128 F129 | F115-F125 HydrophobicContact CB-CD2 3.81Å; F115-F125 HydrophobicContact CB-CE2 3.86Å; F115-F125 HydrophobicContact CD1-CD1 4.41Å; F115-F125 HydrophobicContact CD1-CD2 4.15Å; F115-F125 HydrophobicContact CD1-CE2 4.29Å; F115-F125 HydrophobicContact CD1-CG 4.21Å; F115-F125 HydrophobicContact CD1-CZ 4.49Å; F115-F125 HydrophobicContact CD2-CB 3.74Å; F115-F125 AromaticContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CD2 3.68Å; F115-F125 HydrophobicContact CD2-CE2 4.49Å; F115-F125 AromaticContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CD2-CG 3.79Å; F115-F125 HydrophobicContact CE1-CD1 4.19Å; F115-F125 HydrophobicContact CE1-CG 4.18Å; F115-F125 HydrophobicContact CE2-CB 3.41Å; F115-F125 VanDerWaalsContact CE2-CB 3.41Å; F115-F125 HydrophobicContact CE2-CD1 4.49Å; F115-F125 HydrophobicContact CE2-CD2 4.17Å; F115-F125 AromaticContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CE2-CG 3.79Å; F115-F125 HydrophobicContact CG-CB 4.42Å; F115-F125 AromaticContact CG-CD2 3.62Å; F115-F125 HydrophobicContact CG-CD2 3.62Å; F115-F125 AromaticContact CG-CE2 3.99Å; F115-F125 HydrophobicContact CG-CE2 3.99Å; F115-F125 AromaticContact CG-CG 3.97Å; F115-F125 HydrophobicContact CG-CG 3.97Å; F115-F125 HydrophobicContact CZ-CB 3.81Å; F115-F125 HydrophobicContact CZ-CD1 4.18Å; F115-F125 AromaticContact CZ-CG 3.93Å; F115-F125 HydrophobicContact CZ-CG 3.93Å; H121-F125 PolarHBondContact O-N 2.97Å; W122-F125 PolarHBondContact O-N 3.48Å; F125-G127 VanDerWaalsContact C-N 3.32Å; F125-G127 PolarHBondContact O-N 3.45Å; F125-S128 WeakPolarHBondContact O-CB 3.4Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-F129 HydrophobicContact CD1-CE2 4.38Å; F125-F129 AromaticContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE2-CE2 4.15Å; F125-F129 AromaticContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CZ 4.15Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.4Å |
| 126 | I | 82.3 | Confident | 80.5 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65 | -38.9 | 176.2 | -66.1 | 166.2 | 0 | 0 | 0 | 110.3 | W122 M124 S128 F129 | W122-I126 HydrophobicContact CB-CD1 4.47Å; W122-I126 WeakPolarHBondContact O-CB 3.48Å; W122-I126 WeakPolarHBondContact O-CG1 3.48Å; W122-I126 PolarHBondContact O-N 3.38Å; M124-I126 PolarHBondContact O-N 2.97Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.18Å; I126-F129 PolarHBondContact O-N 3.27Å |
| 127 | G | 81.9 | Confident | 80.6 | Confident | 34 Ų | 34 | 107.9 Ų | 107.9 | 35% | 0.351 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.6 | -36 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D123 M124 F125 F129 K130 | D123-G127 PolarHBondContact O-N 3.07Å; M124-G127 PolarHBondContact O-N 3.24Å; F125-G127 VanDerWaalsContact C-N 3.32Å; F125-G127 PolarHBondContact O-N 3.45Å; G127-F129 PolarHBondContact O-N 3.28Å; G127-F129 VanDerWaalsContact O-N 3.14Å; G127-K130 PolarHBondContact O-N 3.25Å |
| 128 | S | 78.2 | Confident | 80.3 | Confident | 60 Ų | 60 | 112.6 Ų | 112.6 | 42% | 0.42 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -57.9 | -27.6 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 113.5 | M124 F125 I126 | M124-S128 PolarHBondContact O-N 3.14Å; M124-S128 VanDerWaalsContact O-N 3.07Å; M124-S128 PolarHBondContact O-OG 3.18Å; F125-S128 WeakPolarHBondContact O-CB 3.4Å; F125-S128 PolarHBondContact O-N 3.42Å; I126-S128 VanDerWaalsContact C-N 3.3Å; I126-S128 PolarHBondContact O-N 3.18Å |
| 129 | F | 78.5 | Confident | 80.1 | Confident | 134 Ų | 134 | 116.9 Ų | 116.9 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -82.5 | -19 | 176.8 | -65.3 | -84.6 | 0 | 0 | 0 | 114.1 | F125 I126 G127 S131 | F125-F129 HydrophobicContact CD1-CE2 4.38Å; F125-F129 AromaticContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE1-CE2 3.9Å; F125-F129 HydrophobicContact CE2-CE2 4.15Å; F125-F129 AromaticContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CE2 3.78Å; F125-F129 HydrophobicContact CZ-CZ 4.15Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.4Å; I126-F129 PolarHBondContact O-N 3.27Å; G127-F129 PolarHBondContact O-N 3.28Å; G127-F129 VanDerWaalsContact O-N 3.14Å; F129-S131 VanDerWaalsContact C-N 3.34Å |
| 130 | K | 75.3 | Confident | 79.7 | Confident | 180 Ų | 180 | 118.2 Ų | 118.2 | 78% | 0.783 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -80.8 | -16.1 | 179.2 | -74.5 | -173.7 | 171.2 | -176.4 | 0 | 113.4 | G127 | G127-K130 PolarHBondContact O-N 3.25Å |
| 131 | S | 65.4 | Low | 79.1 | Confident | 113 Ų | 113 | 115.8 Ų | 115.8 | 79% | 0.79 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.6 | -179 | -169.2 | 0 | 0 | 0 | 0 | 113.9 | F129 | F129-S131 VanDerWaalsContact C-N 3.34Š|
| 132 | L | 56.7 | Low | 78.6 | Confident | 208 Ų | 208 | 119.5 Ų | 119.5 | 100% | 1.089 | 62% | 0.616 | S | S | * | * | trans | -88.4 | 0 | 168.9 | -81.2 | 108.5 | 0 | 0 | 0 | 110.8 |
Retrieved 132 of 132 residues in 142.6 ms
(Link to these results)