| 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 | 60.3 | Low | 81.7 | Confident | 195 Ų | 195 | 122.1 Ų | 122.1 | 96% | 0.961 | 62% | 0.622 | S | S | * | * | 0 | -69.6 | 0 | -55.4 | -56.6 | -129.1 | 0 | 0 | 113 | K3 F4 V5 | M1-K3 PolarHBondContact O-N 2.78Å; M1-F4 PolarHBondContact O-N 2.93Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-V5 PolarHBondContact O-N 2.96Å; M1-V5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | K | 73 | Confident | 82.2 | Confident | 189 Ų | 189 | 118.8 Ų | 118.8 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -54.9 | -40.1 | -174.7 | -83.5 | 177.3 | 173.8 | 177.2 | 0 | 115.8 | V5 A6 | K2-V5 PolarHBondContact O-N 3.5Å; K2-A6 PolarHBondContact O-N 3.16Å |
| 3 | K | 78.8 | Confident | 82.5 | Confident | 181 Ų | 181 | 118.3 Ų | 118.3 | 79% | 0.787 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.1 | -36 | 179.2 | -62.8 | -166.1 | 179.7 | -177.5 | 0 | 113.1 | M1 A6 F7 | M1-K3 PolarHBondContact O-N 2.78Å; K3-A6 PolarHBondContact O-N 3.12Å; K3-F7 VanDerWaalsContact O-CB 3.32Å; K3-F7 WeakPolarHBondContact O-CB 3.36Å; K3-F7 PolarHBondContact O-N 2.93Å |
| 4 | F | 80.8 | Confident | 82.6 | Confident | 165 Ų | 165 | 117.1 Ų | 117.1 | 72% | 0.724 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.9 | -35.7 | 175.3 | -72.4 | -77.3 | 0 | 0 | 0 | 112.1 | M1 F7 S8 | M1-F4 PolarHBondContact O-N 2.93Å; M1-F4 VanDerWaalsContact O-N 3.12Å; F4-F7 PolarHBondContact O-N 3.44Å; F4-S8 WeakPolarHBondContact O-CB 3.45Å; F4-S8 PolarHBondContact O-N 3.5Å; F4-S8 PolarHBondContact O-OG 3.23Å |
| 5 | V | 84.4 | Confident | 82.4 | Confident | 85 Ų | 85 | 115.3 Ų | 115.3 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 174 | 176.9 | 0 | 0 | 0 | 0 | 111 | M1 K2 F7 S8 L9 | M1-V5 PolarHBondContact O-N 2.96Å; M1-V5 VanDerWaalsContact O-N 3.16Å; K2-V5 PolarHBondContact O-N 3.5Å; V5-F7 PolarHBondContact O-N 3.34Å; V5-S8 WeakPolarHBondContact CA-OG 3.32Å; V5-S8 PolarHBondContact O-OG 3.26Å; V5-L9 HydrophobicContact CG1-CD1 4.26Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 PolarHBondContact O-N 3.44Å |
| 6 | A | 86.1 | Confident | 82.2 | Confident | 54 Ų | 54 | 114.1 Ų | 114.1 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.6 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K2 K3 L9 C10 | K2-A6 PolarHBondContact O-N 3.16Å; K3-A6 PolarHBondContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 3.49Å; A6-C10 PolarHBondContact O-N 3.42Å |
| 7 | F | 86.9 | Confident | 81.8 | Confident | 142 Ų | 142 | 118.9 Ų | 118.9 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 179.3 | -156.7 | -93.2 | 0 | 0 | 0 | 112.4 | K3 F4 V5 C10 L11 | K3-F7 VanDerWaalsContact O-CB 3.32Å; K3-F7 WeakPolarHBondContact O-CB 3.36Å; K3-F7 PolarHBondContact O-N 2.93Å; F4-F7 PolarHBondContact O-N 3.44Å; V5-F7 PolarHBondContact O-N 3.34Å; F7-C10 PolarHBondContact O-N 2.96Å; F7-L11 HydrophobicContact CD1-CD1 3.76Å; F7-L11 HydrophobicContact CD1-CG 4.29Å; F7-L11 HydrophobicContact CE1-CD1 3.83Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.03Å |
| 8 | S | 85.3 | Confident | 81.1 | Confident | 61 Ų | 61 | 118.3 Ų | 118.3 | 43% | 0.427 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 174.4 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | F4 V5 L11 V12 | F4-S8 WeakPolarHBondContact O-CB 3.45Å; F4-S8 PolarHBondContact O-N 3.5Å; F4-S8 PolarHBondContact O-OG 3.23Å; V5-S8 WeakPolarHBondContact CA-OG 3.32Å; V5-S8 PolarHBondContact O-OG 3.26Å; S8-L11 PolarHBondContact O-N 3.05Å; S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 3.31Å |
| 9 | L | 87.6 | Confident | 80.3 | Confident | 102 Ų | 102 | 115.6 Ų | 115.6 | 53% | 0.534 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.3 | -45.5 | 172.2 | -95.1 | 157.9 | 0 | 0 | 0 | 112.5 | V5 A6 L11 V12 L13 | V5-L9 HydrophobicContact CG1-CD1 4.26Å; V5-L9 WeakPolarHBondContact O-CB 3.43Å; V5-L9 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 3.49Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å |
| 10 | C | 88.1 | Confident | 79.3 | Confident | 76 Ų | 76 | 116.6 Ų | 116.6 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.9 | -40.6 | 176.2 | -82.2 | 0 | 0 | 0 | 0 | 112.3 | A6 F7 L13 L14 | A6-C10 PolarHBondContact O-N 3.42Å; F7-C10 PolarHBondContact O-N 2.96Å; C10-L13 PolarHBondContact O-N 2.96Å; C10-L14 WeakPolarHBondContact O-CB 3.41Å; C10-L14 PolarHBondContact O-N 2.93Å |
| 11 | L | 87.8 | Confident | 78.3 | Confident | 93 Ų | 93 | 114.4 Ų | 114.4 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 177.6 | -76.6 | 169.7 | 0 | 0 | 0 | 112.2 | F7 S8 L9 L14 T15 | F7-L11 HydrophobicContact CD1-CD1 3.76Å; F7-L11 HydrophobicContact CD1-CG 4.29Å; F7-L11 HydrophobicContact CE1-CD1 3.83Å; F7-L11 HydrophobicContact CE1-CG 4.27Å; F7-L11 WeakPolarHBondContact O-CG 3.44Å; F7-L11 PolarHBondContact O-N 3.03Å; S8-L11 PolarHBondContact O-N 3.05Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.32Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.28Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å |
| 12 | V | 87.9 | Confident | 78.2 | Confident | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -39.7 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | S8 L9 L14 T15 I16 | S8-V12 WeakPolarHBondContact O-CG2 3.29Å; S8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.43Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.02Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.16Å; V12-I16 HydrophobicContact CG1-CD1 3.94Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.2Å; V12-I16 PolarHBondContact O-N 3.02Å |
| 13 | L | 85.1 | Confident | 77.7 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -38.7 | 176.9 | -71.1 | 168.2 | 0 | 0 | 0 | 112 | L9 C10 Y17 | L9-L13 WeakPolarHBondContact O-CG 3.36Å; L9-L13 PolarHBondContact O-N 3.39Å; C10-L13 PolarHBondContact O-N 2.96Å; L13-Y17 PolarHBondContact O-N 3.34Å; L13-Y17 VanDerWaalsContact O-N 3.16Å |
| 14 | L | 83.6 | Confident | 77.1 | Confident | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -42 | 176.4 | -103 | 146.5 | 0 | 0 | 0 | 112.6 | C10 L11 V12 Y17 I18 | C10-L14 WeakPolarHBondContact O-CB 3.41Å; C10-L14 PolarHBondContact O-N 2.93Å; L11-L14 PolarHBondContact O-N 3.48Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.02Å; L14-Y17 PolarHBondContact O-N 3.04Å; L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.29Å |
| 15 | T | 80.1 | Confident | 76.5 | Confident | 91 Ų | 91 | 101.4 Ų | 101.4 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | L11 V12 A19 | L11-T15 WeakPolarHBondContact O-CG2 3.45Å; L11-T15 PolarHBondContact O-N 3.28Å; L11-T15 VanDerWaalsContact O-N 3.09Å; L11-T15 PolarHBondContact O-OG1 3.41Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.16Å; T15-A19 WeakPolarHBondContact O-CB 3.46Å; T15-A19 PolarHBondContact O-N 3.44Å |
| 16 | I | 78.9 | Confident | 76.2 | Confident | 96 Ų | 96 | 105.1 Ų | 105.1 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.5 | -45.7 | 175.9 | -64.3 | 165.2 | 0 | 0 | 0 | 110.2 | V12 I18 A19 D20 | V12-I16 HydrophobicContact CG1-CD1 3.94Å; V12-I16 WeakPolarHBondContact O-CD1 3.37Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.2Å; V12-I16 PolarHBondContact O-N 3.02Å; I16-I18 PolarHBondContact O-N 3.07Å; I16-A19 PolarHBondContact O-N 3.09Å; I16-D20 PolarHBondContact O-N 3.06Å |
| 17 | Y | 75.3 | Confident | 75.8 | Confident | 195 Ų | 195 | 108.8 Ų | 108.8 | 77% | 0.765 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.8 | -35.8 | -178.3 | -147 | -86.8 | 0 | 0 | 0 | 113.1 | L13 L14 A21 | L13-Y17 PolarHBondContact O-N 3.34Å; L13-Y17 VanDerWaalsContact O-N 3.16Å; L14-Y17 PolarHBondContact O-N 3.04Å; Y17-A21 PolarHBondContact O-N 3.09Å |
| 18 | I | 69.9 | Low | 75.6 | Confident | 109 Ų | 109 | 106 Ų | 106 | 56% | 0.559 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.1 | -32 | 177.3 | -64.6 | 164.5 | 0 | 0 | 0 | 111.3 | L14 I16 A21 | L14-I18 HydrophobicContact CD2-CD1 4Å; L14-I18 WeakPolarHBondContact O-CD1 3.36Å; L14-I18 WeakPolarHBondContact O-CG1 3.37Å; L14-I18 PolarHBondContact O-N 3.29Å; I16-I18 PolarHBondContact O-N 3.07Å; I18-A21 PolarHBondContact O-N 2.73Å |
| 19 | A | 65.5 | Low | 75.6 | Confident | 67 Ų | 67 | 109.8 Ų | 109.8 | 55% | 0.554 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T15 I16 A21 | T15-A19 WeakPolarHBondContact O-CB 3.46Å; T15-A19 PolarHBondContact O-N 3.44Å; I16-A19 PolarHBondContact O-N 3.09Å; A19-A21 VanDerWaalsContact C-N 3.33Å |
| 20 | D | 60.1 | Low | 75.4 | Confident | 135 Ų | 135 | 106.6 Ų | 106.6 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.8 | -20.5 | 175.7 | -78.2 | -23.9 | 0 | 0 | 0 | 113.2 | I16 N22 | I16-D20 PolarHBondContact O-N 3.06Å; D20-N22 VanDerWaalsContact C-N 3.31Å; D20-N22 PolarHBondContact O-N 3.32Å |
| 21 | A | 59 | Low | 75.4 | Confident | 70 Ų | 70 | 108.5 Ų | 108.5 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.2 | -19.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y17 I18 A19 P23 | Y17-A21 PolarHBondContact O-N 3.09Å; I18-A21 PolarHBondContact O-N 2.73Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A21-P23 WeakPolarHBondContact O-CD 3.15Å |
| 22 | N | 58.5 | Low | 75.4 | Confident | 125 Ų | 125 | 110.1 Ų | 110.1 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -101.8 | 93.5 | 167.9 | -107.3 | 2.4 | 0 | 0 | 0 | 108 | D20 I24 | D20-N22 VanDerWaalsContact C-N 3.31Å; D20-N22 PolarHBondContact O-N 3.32Å; N22-I24 PolarHBondContact O-N 3.41Å |
| 23 | P | 62.5 | Low | 75.2 | Confident | 98 Ų | 98 | 109.7 Ų | 109.7 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -68.1 | 89 | 162.9 | 30.8 | -31.6 | 0 | 0 | 0 | 105.7 | A21 I25 | A21-P23 WeakPolarHBondContact O-CD 3.15Å; P23-I25 HydrophobicContact CB-CG1 4.34Å; P23-I25 PolarHBondContact O-N 2.58Å | ||
| 24 | I | 66 | Low | 75 | Confident | 151 Ų | 151 | 109.5 Ų | 109.5 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | trans | -60.7 | 87 | 150.8 | -75.7 | 171.3 | 0 | 0 | 0 | 103.3 | N22 K26 | N22-I24 PolarHBondContact O-N 3.41Å; I24-K26 PolarHBondContact O-N 3.41Å; I24-K26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | I | 68.3 | Low | 74.9 | Confident | 84 Ų | 84 | 113.8 Ų | 113.8 | 43% | 0.431 | 58% | 0.584 | S | S | . | * | trans | -52.5 | 122.4 | 177.9 | -74.2 | 172.1 | 0 | 0 | 0 | 105.2 | P23 E27 Y29 A30 | P23-I25 HydrophobicContact CB-CG1 4.34Å; P23-I25 PolarHBondContact O-N 2.58Å; I25-E27 PolarHBondContact O-N 3.21Å; I25-Y29 HydrophobicContact CG2-CD1 3.57Å; I25-Y29 HydrophobicContact CG2-CG 4.23Å; I25-A30 HydrophobicContact CG2-CB 3.85Å | ||
| 26 | K | 77.3 | Confident | 74.8 | Confident | 162 Ų | 162 | 114.4 Ų | 114.4 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | trans | -51.6 | 134.5 | 175.8 | -75.1 | -175.4 | 178.2 | 178.7 | 0 | 108.5 | I24 S28 Y29 A30 | I24-K26 PolarHBondContact O-N 3.41Å; I24-K26 VanDerWaalsContact O-N 3.09Å; K26-S28 PolarHBondContact O-N 2.96Å; K26-Y29 WeakPolarHBondContact O-CA 3.33Å; K26-Y29 WeakPolarHBondContact O-CB 3.29Å; K26-Y29 PolarHBondContact O-N 3.48Å; K26-A30 PolarHBondContact O-N 2.9Å; K26-A30 VanDerWaalsContact O-N 3.07Å | ||
| 27 | E | 78.6 | Confident | 74.4 | Confident | 131 Ų | 131 | 118.1 Ų | 118.1 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -50.9 | -35.3 | -176.1 | -169.4 | -169.3 | 155.4 | 0 | 0 | 112.6 | I25 A30 K31 | I25-E27 PolarHBondContact O-N 3.21Å; E27-A30 PolarHBondContact O-N 3.45Å; E27-K31 HydrophobicContact CG-CD 4.19Å; E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.07Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 2.58Å; E27-K31 PolarHBondContact OE1-NZ 3.27Å |
| 28 | S | 82.7 | Confident | 74.1 | Confident | 84 Ų | 84 | 117.9 Ų | 117.9 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.7 | -43.7 | 174.7 | 53.9 | 0 | 0 | 0 | 0 | 113 | K26 K31 Q32 | K26-S28 PolarHBondContact O-N 2.96Å; S28-K31 PolarHBondContact O-N 2.93Å; S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 2.72Å |
| 29 | Y | 84.1 | Confident | 73.9 | Confident | 140 Ų | 140 | 119.3 Ų | 119.3 | 55% | 0.549 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -39.3 | 178.6 | -171.4 | -103.5 | 0 | 0 | 0 | 111.7 | I25 K26 K31 Q32 L33 | I25-Y29 HydrophobicContact CG2-CD1 3.57Å; I25-Y29 HydrophobicContact CG2-CG 4.23Å; K26-Y29 WeakPolarHBondContact O-CA 3.33Å; K26-Y29 WeakPolarHBondContact O-CB 3.29Å; K26-Y29 PolarHBondContact O-N 3.48Å; Y29-K31 PolarHBondContact O-N 2.83Å; Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 3.45Å; Y29-L33 HydrophobicContact CD1-CD1 3.77Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CG 4.06Å; Y29-L33 WeakPolarHBondContact O-CG 3.48Å; Y29-L33 PolarHBondContact O-N 3.49Å |
| 30 | A | 85 | Confident | 74.2 | Confident | 35 Ų | 35 | 124.9 Ų | 124.9 | 29% | 0.289 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.1 | -45.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I25 K26 E27 Q32 L33 L34 | I25-A30 HydrophobicContact CG2-CB 3.85Å; K26-A30 PolarHBondContact O-N 2.9Å; K26-A30 VanDerWaalsContact O-N 3.07Å; E27-A30 PolarHBondContact O-N 3.45Å; A30-Q32 VanDerWaalsContact C-N 3.3Å; A30-Q32 PolarHBondContact O-N 3.18Å; A30-L33 PolarHBondContact O-N 3.23Å; A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å |
| 31 | K | 87.4 | Confident | 74.5 | Confident | 116 Ų | 116 | 125 Ų | 125 | 50% | 0.504 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.6 | -36.3 | 175.7 | -77.4 | 174 | 169.8 | 174.1 | 0 | 112.4 | E27 S28 Y29 L34 R35 | E27-K31 HydrophobicContact CG-CD 4.19Å; E27-K31 WeakPolarHBondContact O-CB 3.42Å; E27-K31 VanDerWaalsContact O-CG 3.29Å; E27-K31 WeakPolarHBondContact O-CG 3.48Å; E27-K31 PolarHBondContact O-N 3.07Å; E27-K31 WeakPolarHBondContact OE1-CE 3.47Å; E27-K31 IonicContact OE1-NZ 2.58Å; E27-K31 PolarHBondContact OE1-NZ 3.27Å; S28-K31 PolarHBondContact O-N 2.93Å; Y29-K31 PolarHBondContact O-N 2.83Å; K31-L34 PolarHBondContact O-N 3.01Å; K31-R35 PolarHBondContact O-N 3.49Å |
| 32 | Q | 86.8 | Confident | 74.9 | Confident | 128 Ų | 128 | 124.1 Ų | 124.1 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66 | -45.8 | 175.8 | -170.6 | 127.2 | -16.9 | 0 | 0 | 111.8 | S28 Y29 A30 L34 R35 T36 | S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 2.72Å; Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 3.45Å; A30-Q32 VanDerWaalsContact C-N 3.3Å; A30-Q32 PolarHBondContact O-N 3.18Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.38Å; Q32-R35 PolarHBondContact O-N 2.95Å; Q32-T36 PolarHBondContact O-N 3.2Å |
| 33 | L | 84.1 | Confident | 75.7 | Confident | 72 Ų | 72 | 123.9 Ų | 123.9 | 38% | 0.377 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.4 | -40.9 | 175 | -75 | 172.1 | 0 | 0 | 0 | 112.3 | Y29 A30 R35 T36 K37 | Y29-L33 HydrophobicContact CD1-CD1 3.77Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.49Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.49Å; Y29-L33 HydrophobicContact CE1-CG 4.06Å; Y29-L33 WeakPolarHBondContact O-CG 3.48Å; Y29-L33 PolarHBondContact O-N 3.49Å; A30-L33 PolarHBondContact O-N 3.23Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.32Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 3.11Å; L33-K37 WeakPolarHBondContact O-CG 3.28Å; L33-K37 PolarHBondContact O-N 3.03Å |
| 34 | L | 82.4 | Confident | 76.2 | Confident | 110 Ų | 110 | 122.7 Ų | 122.7 | 58% | 0.576 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -32.8 | 177.2 | -68.8 | 171.8 | 0 | 0 | 0 | 112.2 | A30 K31 Q32 K37 R38 | A30-L34 VanDerWaalsContact O-CG 3.28Å; A30-L34 WeakPolarHBondContact O-CG 3.39Å; A30-L34 PolarHBondContact O-N 3.46Å; K31-L34 PolarHBondContact O-N 3.01Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-L34 PolarHBondContact O-N 3.38Å; L34-K37 PolarHBondContact O-N 3.47Å; L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.11Å |
| 35 | R | 80.4 | Confident | 76.7 | Confident | 191 Ų | 191 | 120.2 Ų | 120.2 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.4 | -39.8 | 174.2 | -90 | -178.1 | 174.4 | 154.3 | -2.5 | 112.8 | K31 Q32 L33 K37 | K31-R35 PolarHBondContact O-N 3.49Å; Q32-R35 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact C-N 3.32Å; L33-R35 PolarHBondContact O-N 3.32Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 2.93Å |
| 36 | T | 78.1 | Confident | 77.2 | Confident | 104 Ų | 104 | 119.3 Ų | 119.3 | 64% | 0.638 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73 | -23.8 | 179 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | Q32 L33 | Q32-T36 PolarHBondContact O-N 3.2Å; L33-T36 PolarHBondContact O-N 3.47Å; L33-T36 PolarHBondContact O-OG1 3.11Å |
| 37 | K | 71.6 | Confident | 77.3 | Confident | 174 Ų | 174 | 115.9 Ų | 115.9 | 76% | 0.757 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -92 | -10 | 177.5 | -66.8 | -66.4 | -172.2 | -179.5 | 0 | 114.5 | L33 L34 R35 Q39 | L33-K37 WeakPolarHBondContact O-CG 3.28Å; L33-K37 PolarHBondContact O-N 3.03Å; L34-K37 PolarHBondContact O-N 3.47Å; R35-K37 VanDerWaalsContact C-N 3.28Å; R35-K37 PolarHBondContact O-N 2.93Å; K37-Q39 PolarHBondContact O-N 3.28Å |
| 38 | R | 68.4 | Low | 77.6 | Confident | 189 Ų | 189 | 115.1 Ų | 115.1 | 71% | 0.713 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -67 | 122.6 | 173.4 | -86.7 | 177.2 | -169.6 | 179.1 | 1.7 | 109.3 | L34 K40 | L34-R38 WeakPolarHBondContact O-CG 3.43Å; L34-R38 PolarHBondContact O-N 3.49Å; L34-R38 VanDerWaalsContact O-N 3.11Å; R38-K40 PolarHBondContact O-N 3.48Å |
| 39 | Q | 66.1 | Low | 77.7 | Confident | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.9 | 162.6 | -158.6 | 162.1 | 11.5 | 0 | 0 | 107.7 | K37 | K37-Q39 PolarHBondContact O-N 3.28Š|
| 40 | K | 70.9 | Confident | 77.8 | Confident | 184 Ų | 184 | 117.6 Ų | 117.6 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142.1 | 176.4 | -72.6 | -178.5 | 179.3 | 177.8 | 0 | 108.5 | R38 G42 | R38-K40 PolarHBondContact O-N 3.48Å; K40-G42 PolarHBondContact O-N 2.81Å |
| 41 | P | 66 | Low | 78 | Confident | 138 Ų | 138 | 120.7 Ų | 120.7 | 90% | 0.896 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -56.4 | 126.6 | 172.8 | 23.8 | -31.8 | 0 | 0 | 0 | 109 | ||
| 42 | G | 68.7 | Low | 78.3 | Confident | 52 Ų | 52 | 120.1 Ų | 120.1 | 54% | 0.536 | 59% | 0.592 | S | S | . | * | S | Bend | trans | 148.4 | 165.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K40 | K40-G42 PolarHBondContact O-N 2.81Š|
| 43 | H | 73.4 | Confident | 78.6 | Confident | 119 Ų | 119 | 118.2 Ų | 118.2 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | trans | -66.4 | 142.2 | 172.5 | -163.7 | 55.7 | 0 | 0 | 0 | 109.4 | D45 E46 | H43-D45 IonicContact NE2-OD2 3.67Å; H43-D45 PolarHBondContact O-N 3.22Å; H43-E46 HydrophobicContact CB-CB 4.36Å; H43-E46 WeakPolarHBondContact CB-OE2 3.39Å; H43-E46 PolarHBondContact N-OE2 3Å; H43-E46 VanDerWaalsContact O-CB 3.24Å; H43-E46 WeakPolarHBondContact O-CB 3.46Å; H43-E46 PolarHBondContact O-N 2.98Å | ||
| 44 | P | 73.1 | Confident | 78.9 | Confident | 74 Ų | 74 | 120 Ų | 120 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.6 | -32.3 | 178.2 | -26.4 | 35.1 | 0 | 0 | 0 | 112.9 | ||
| 45 | D | 76.9 | Confident | 79.4 | Confident | 99 Ų | 99 | 118.5 Ų | 118.5 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | -0.2 | -176.8 | -53.5 | -31 | 0 | 0 | 0 | 113.6 | H43 P47 M48 R49 | H43-D45 IonicContact NE2-OD2 3.67Å; H43-D45 PolarHBondContact O-N 3.22Å; D45-P47 VanDerWaalsContact C-CD 3.46Å; D45-M48 PolarHBondContact O-N 3.04Å; D45-M48 VanDerWaalsContact O-N 3.08Å; D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 PolarHBondContact O-N 3.06Å |
| 46 | E | 78.4 | Confident | 80 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 30% | 0.304 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -49.4 | -47.7 | 177.7 | -149.2 | 102.3 | -130 | 0 | 0 | 113.4 | H43 M48 R49 E50 | H43-E46 HydrophobicContact CB-CB 4.36Å; H43-E46 WeakPolarHBondContact CB-OE2 3.39Å; H43-E46 PolarHBondContact N-OE2 3Å; H43-E46 VanDerWaalsContact O-CB 3.24Å; H43-E46 WeakPolarHBondContact O-CB 3.46Å; H43-E46 PolarHBondContact O-N 2.98Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 3.16Å; E46-R49 PolarHBondContact O-N 3.22Å; E46-R49 IonicContact OE1-NH1 3.71Å; E46-E50 WeakPolarHBondContact O-CG 3.49Å; E46-E50 PolarHBondContact O-N 2.99Å |
| 47 | P | 80.1 | Confident | 80.7 | Confident | 90 Ų | 90 | 113.4 Ų | 113.4 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -34.2 | 179.6 | 25.6 | -34.2 | 0 | 0 | 0 | 112.8 | D45 H51 | D45-P47 VanDerWaalsContact C-CD 3.46Å; P47-H51 WeakPolarHBondContact O-CB 3.24Å; P47-H51 PolarHBondContact O-N 2.88Å; P47-H51 VanDerWaalsContact O-N 3.16Å |
| 48 | M | 84.3 | Confident | 81.3 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 57% | 0.567 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.3 | -42.6 | 176.3 | -175.1 | 61.8 | 78.8 | 0 | 0 | 110.4 | D45 E46 H51 L52 | D45-M48 PolarHBondContact O-N 3.04Å; D45-M48 VanDerWaalsContact O-N 3.08Å; E46-M48 VanDerWaalsContact C-N 3.32Å; E46-M48 PolarHBondContact O-N 3.16Å; M48-H51 PolarHBondContact O-N 3.36Å; M48-L52 HydrophobicContact CG-CD1 4.11Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 VanDerWaalsContact O-CG 3.3Å; M48-L52 WeakPolarHBondContact O-CG 3.22Å; M48-L52 PolarHBondContact O-N 3.27Å |
| 49 | R | 86.1 | Confident | 82.3 | Confident | 149 Ų | 149 | 104.2 Ų | 104.2 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 177.6 | -177.7 | -177.2 | 176.3 | -139.1 | -0.6 | 111.7 | D45 E46 H51 L52 L53 | D45-R49 WeakPolarHBondContact O-CB 3.42Å; D45-R49 PolarHBondContact O-N 3.06Å; E46-R49 PolarHBondContact O-N 3.22Å; E46-R49 IonicContact OE1-NH1 3.71Å; R49-H51 VanDerWaalsContact C-N 3.33Å; R49-H51 PolarHBondContact O-N 3.41Å; R49-L52 PolarHBondContact O-N 2.93Å; R49-L53 HydrophobicContact CG-CD1 4.29Å; R49-L53 WeakPolarHBondContact O-CG 3.3Å; R49-L53 PolarHBondContact O-N 3.48Å |
| 50 | E | 85.6 | Confident | 83.2 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 176.5 | -73 | 178.2 | 176 | 0 | 0 | 111.8 | E46 L53 H54 | E46-E50 WeakPolarHBondContact O-CG 3.49Å; E46-E50 PolarHBondContact O-N 2.99Å; E50-L53 PolarHBondContact O-N 2.82Å; E50-H54 PolarHBondContact O-N 3.31Å |
| 51 | H | 90 | Very high | 83.7 | Confident | 100 Ų | 100 | 101 Ų | 101 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.2 | -178.7 | 63.9 | 0 | 0 | 0 | 112.2 | P47 M48 R49 L53 H54 M55 | P47-H51 WeakPolarHBondContact O-CB 3.24Å; P47-H51 PolarHBondContact O-N 2.88Å; P47-H51 VanDerWaalsContact O-N 3.16Å; M48-H51 PolarHBondContact O-N 3.36Å; R49-H51 VanDerWaalsContact C-N 3.33Å; R49-H51 PolarHBondContact O-N 3.41Å; H51-L53 PolarHBondContact O-N 3.39Å; H51-H54 WeakPolarHBondContact O-CB 3.37Å; H51-H54 PolarHBondContact O-N 3.02Å; H51-M55 WeakPolarHBondContact O-CG 3.32Å; H51-M55 PolarHBondContact O-N 3.39Å |
| 52 | L | 91.9 | Very high | 84.4 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 178.4 | -71.5 | 171.1 | 0 | 0 | 0 | 112.1 | M48 R49 H54 M55 Q56 | M48-L52 HydrophobicContact CG-CD1 4.11Å; M48-L52 HydrophobicContact CG-CG 4.48Å; M48-L52 VanDerWaalsContact O-CG 3.3Å; M48-L52 WeakPolarHBondContact O-CG 3.22Å; M48-L52 PolarHBondContact O-N 3.27Å; R49-L52 PolarHBondContact O-N 2.93Å; L52-H54 VanDerWaalsContact C-N 3.3Å; L52-H54 PolarHBondContact O-N 2.91Å; L52-M55 PolarHBondContact O-N 2.94Å; L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 PolarHBondContact O-N 3.19Å |
| 53 | L | 93.6 | Very high | 85 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 174.7 | -72.7 | 170.3 | 0 | 0 | 0 | 111.6 | R49 E50 H51 Q56 V57 | R49-L53 HydrophobicContact CG-CD1 4.29Å; R49-L53 WeakPolarHBondContact O-CG 3.3Å; R49-L53 PolarHBondContact O-N 3.48Å; E50-L53 PolarHBondContact O-N 2.82Å; H51-L53 PolarHBondContact O-N 3.39Å; L53-Q56 PolarHBondContact O-N 3.08Å; L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.31Å |
| 54 | H | 91.6 | Very high | 85.2 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175.5 | -177.4 | 61.5 | 0 | 0 | 0 | 112 | E50 H51 L52 Q56 V57 L58 | E50-H54 PolarHBondContact O-N 3.31Å; H51-H54 WeakPolarHBondContact O-CB 3.37Å; H51-H54 PolarHBondContact O-N 3.02Å; L52-H54 VanDerWaalsContact C-N 3.3Å; L52-H54 PolarHBondContact O-N 2.91Å; H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 2.94Å; H54-V57 PolarHBondContact O-N 3.16Å; H54-L58 PolarHBondContact O-N 3.23Å; H54-L58 VanDerWaalsContact O-N 3.16Å |
| 55 | M | 91.6 | Very high | 85 | Confident | 77 Ų | 77 | 98.5 Ų | 98.5 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 176.5 | -68.9 | -55.9 | -61.6 | 0 | 0 | 111.6 | H51 L52 V57 L58 D59 | H51-M55 WeakPolarHBondContact O-CG 3.32Å; H51-M55 PolarHBondContact O-N 3.39Å; L52-M55 PolarHBondContact O-N 2.94Å; M55-V57 VanDerWaalsContact C-N 3.34Å; M55-V57 PolarHBondContact O-N 3.44Å; M55-L58 WeakPolarHBondContact O-CB 3.44Å; M55-L58 PolarHBondContact O-N 3.47Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-L58 HydrophobicContact SD-CD1 4.27Å; M55-D59 PolarHBondContact O-N 3.29Å |
| 56 | Q | 93.9 | Very high | 84.9 | Confident | 126 Ų | 126 | 98 Ų | 98 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | 178.1 | -171.4 | 176.9 | 0.7 | 0 | 0 | 112.7 | L52 L53 H54 L58 D59 Q60 | L52-Q56 WeakPolarHBondContact O-CB 3.38Å; L52-Q56 PolarHBondContact O-N 3.19Å; L53-Q56 PolarHBondContact O-N 3.08Å; H54-Q56 VanDerWaalsContact C-N 3.28Å; H54-Q56 PolarHBondContact O-N 2.94Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-D59 PolarHBondContact O-N 3.03Å; Q56-Q60 PolarHBondContact O-N 3.45Å |
| 57 | V | 91.3 | Very high | 84.5 | Confident | 63 Ų | 63 | 100 Ų | 100 | 38% | 0.382 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L53 H54 M55 Q60 R61 | L53-V57 WeakPolarHBondContact O-CG2 3.3Å; L53-V57 PolarHBondContact O-N 3.31Å; H54-V57 PolarHBondContact O-N 3.16Å; M55-V57 VanDerWaalsContact C-N 3.34Å; M55-V57 PolarHBondContact O-N 3.44Å; V57-Q60 PolarHBondContact O-N 2.91Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.17Å; V57-R61 VanDerWaalsContact O-N 3.07Å |
| 58 | L | 85.8 | Confident | 83.9 | Confident | 71 Ų | 71 | 98.6 Ų | 98.6 | 37% | 0.372 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 176.8 | -66.8 | 177.1 | 0 | 0 | 0 | 111.7 | H54 M55 Q56 Q60 R61 A62 | H54-L58 PolarHBondContact O-N 3.23Å; H54-L58 VanDerWaalsContact O-N 3.16Å; M55-L58 WeakPolarHBondContact O-CB 3.44Å; M55-L58 PolarHBondContact O-N 3.47Å; M55-L58 VanDerWaalsContact O-N 3.14Å; M55-L58 HydrophobicContact SD-CD1 4.27Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; L58-R61 PolarHBondContact O-N 3.07Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.49Å |
| 59 | D | 87.9 | Confident | 83 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 53% | 0.529 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 176.4 | -81.8 | -11.8 | 0 | 0 | 0 | 111.5 | M55 Q56 R61 A62 Q63 | M55-D59 PolarHBondContact O-N 3.29Å; Q56-D59 PolarHBondContact O-N 3.03Å; D59-R61 PolarHBondContact O-N 3.47Å; D59-A62 PolarHBondContact O-N 3.01Å; D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.14Å |
| 60 | Q | 86.2 | Confident | 81.9 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.8 | -175.6 | 179.5 | -14.5 | 0 | 0 | 111.2 | Q56 V57 L58 A62 Q63 E64 | Q56-Q60 PolarHBondContact O-N 3.45Å; V57-Q60 PolarHBondContact O-N 2.91Å; L58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 3.29Å; Q60-Q63 PolarHBondContact O-N 2.71Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.48Å; Q60-E64 PolarHBondContact NE2-OE1 3.41Å; Q60-E64 WeakPolarHBondContact O-CG 3.33Å; Q60-E64 PolarHBondContact O-N 3.39Å |
| 61 | R | 82.1 | Confident | 80.9 | Confident | 151 Ų | 151 | 100.7 Ų | 100.7 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.9 | -38.7 | 176.5 | -72 | -178 | -161.9 | -174.3 | 4.3 | 112.3 | V57 L58 D59 Q63 E64 T65 | V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.17Å; V57-R61 VanDerWaalsContact O-N 3.07Å; L58-R61 PolarHBondContact O-N 3.07Å; D59-R61 PolarHBondContact O-N 3.47Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; R61-E64 PolarHBondContact O-N 3.44Å; R61-T65 WeakPolarHBondContact O-CG2 3.32Å; R61-T65 PolarHBondContact O-N 3.29Å; R61-T65 PolarHBondContact O-OG1 3.36Å |
| 62 | A | 80.2 | Confident | 79.5 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L58 D59 Q60 T65 N66 | L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.49Å; D59-A62 PolarHBondContact O-N 3.01Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 3.29Å; A62-T65 PolarHBondContact O-OG1 2.95Å; A62-T65 VanDerWaalsContact O-OG1 3.1Å; A62-N66 WeakPolarHBondContact O-CB 3.37Å; A62-N66 PolarHBondContact O-N 3.15Å |
| 63 | Q | 81.6 | Confident | 78.1 | Confident | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | 173.6 | -71.3 | 178.2 | 0.9 | 0 | 0 | 111.8 | D59 Q60 R61 N66 L67 | D59-Q63 WeakPolarHBondContact O-CG 3.33Å; D59-Q63 PolarHBondContact O-N 3.14Å; Q60-Q63 PolarHBondContact O-N 2.71Å; R61-Q63 VanDerWaalsContact C-N 3.32Å; Q63-N66 PolarHBondContact O-N 3.1Å; Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 3.22Å |
| 64 | E | 77.7 | Confident | 76.7 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 176.8 | -71.6 | 168.8 | -176.7 | 0 | 0 | 111 | Q60 R61 N66 L67 E68 | Q60-E64 WeakPolarHBondContact CG-OE1 3.48Å; Q60-E64 PolarHBondContact NE2-OE1 3.41Å; Q60-E64 WeakPolarHBondContact O-CG 3.33Å; Q60-E64 PolarHBondContact O-N 3.39Å; R61-E64 PolarHBondContact O-N 3.44Å; E64-N66 VanDerWaalsContact C-N 3.34Å; E64-N66 PolarHBondContact O-N 2.94Å; E64-L67 PolarHBondContact O-N 2.94Å; E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.32Å |
| 65 | T | 68.8 | Low | 75.2 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -35.6 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | R61 A62 H69 | R61-T65 WeakPolarHBondContact O-CG2 3.32Å; R61-T65 PolarHBondContact O-N 3.29Å; R61-T65 PolarHBondContact O-OG1 3.36Å; A62-T65 PolarHBondContact O-OG1 2.95Å; A62-T65 VanDerWaalsContact O-OG1 3.1Å; T65-H69 WeakPolarHBondContact O-CB 3.45Å; T65-H69 PolarHBondContact O-N 3.3Å |
| 66 | N | 73.4 | Confident | 73.6 | Confident | 87 Ų | 87 | 104 Ų | 104 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -48.8 | 174.8 | -168.7 | -6.2 | 0 | 0 | 0 | 110.4 | A62 Q63 E64 E68 H69 W70 | A62-N66 WeakPolarHBondContact O-CB 3.37Å; A62-N66 PolarHBondContact O-N 3.15Å; Q63-N66 PolarHBondContact O-N 3.1Å; E64-N66 VanDerWaalsContact C-N 3.34Å; E64-N66 PolarHBondContact O-N 2.94Å; N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.4Å; N66-H69 WeakPolarHBondContact O-CB 3.44Å; N66-H69 PolarHBondContact O-N 3.42Å; N66-H69 VanDerWaalsContact O-N 3.15Å; N66-W70 PolarHBondContact O-N 2.95Å; N66-W70 PolarHBondContact OD1-NE1 2.92Å |
| 67 | L | 70.4 | Confident | 71.8 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 176.6 | -73.2 | 169 | 0 | 0 | 0 | 112.4 | Q63 E64 H69 W70 L71 | Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.48Å; Q63-L67 PolarHBondContact O-N 3.22Å; E64-L67 PolarHBondContact O-N 2.94Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 2.93Å; L67-W70 PolarHBondContact O-N 3.38Å; L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.96Å |
| 68 | E | 67.8 | Low | 70.1 | Confident | 60 Ų | 60 | 110.8 Ų | 110.8 | 28% | 0.28 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175.3 | -73.4 | 179.4 | 159.8 | 0 | 0 | 112.3 | E64 N66 L71 N72 | E64-E68 VanDerWaalsContact O-CG 3.32Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.32Å; N66-E68 VanDerWaalsContact C-N 3.33Å; N66-E68 PolarHBondContact O-N 3.4Å; E68-L71 PolarHBondContact O-N 2.84Å; E68-N72 PolarHBondContact O-N 2.93Å |
| 69 | H | 65 | Low | 68.6 | Low | 84 Ų | 84 | 109.6 Ų | 109.6 | 39% | 0.389 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 174.1 | -178.2 | 69.6 | 0 | 0 | 0 | 112.5 | T65 N66 L67 N72 C75 | T65-H69 WeakPolarHBondContact O-CB 3.45Å; T65-H69 PolarHBondContact O-N 3.3Å; N66-H69 WeakPolarHBondContact O-CB 3.44Å; N66-H69 PolarHBondContact O-N 3.42Å; N66-H69 VanDerWaalsContact O-N 3.15Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-N 2.93Å; H69-N72 CarbonylContact O-C 3.21Å; H69-N72 PolarHBondContact O-N 3.2Å; H69-N72 VanDerWaalsContact O-O 3.13Å; H69-C75 PolarHBondContact ND1-O 3.01Å |
| 70 | W | 62.7 | Low | 67 | Low | 197 Ų | 197 | 108.3 Ų | 108.3 | 75% | 0.746 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 175.4 | -83.2 | 98.7 | 0 | 0 | 0 | 112.8 | N66 L67 | N66-W70 PolarHBondContact O-N 2.95Å; N66-W70 PolarHBondContact OD1-NE1 2.92Å; L67-W70 PolarHBondContact O-N 3.38Å |
| 71 | L | 65.8 | Low | 65.3 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 80% | 0.801 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -79.2 | -19.6 | -178.7 | -69.9 | 167.5 | 0 | 0 | 0 | 113 | L67 E68 | L67-L71 WeakPolarHBondContact O-CB 3.18Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.96Å; E68-L71 PolarHBondContact O-N 2.84Å |
| 72 | N | 59.3 | Low | 63.9 | Low | 69 Ų | 69 | 112.7 Ų | 112.7 | 37% | 0.369 | 55% | 0.549 | S | S | . | . | trans | -143.3 | 98.5 | 173.5 | -175.4 | 3.6 | 0 | 0 | 0 | 110.8 | E68 H69 H74 C75 | E68-N72 PolarHBondContact O-N 2.93Å; H69-N72 CarbonylContact O-C 3.21Å; H69-N72 PolarHBondContact O-N 3.2Å; H69-N72 VanDerWaalsContact O-O 3.13Å; N72-H74 PolarHBondContact O-N 3.2Å; N72-H74 PolarHBondContact OD1-N 3.39Å; N72-C75 HydrophobicContact CB-CB 4.24Å; N72-C75 PolarHBondContact ND2-SG 3.49Å; N72-C75 VanDerWaalsContact ND2-SG 3.36Å; N72-C75 WeakPolarHBondContact O-CB 3.43Å; N72-C75 PolarHBondContact O-N 3.15Å | ||
| 73 | P | 63 | Low | 62.3 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 66% | 0.656 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -16.1 | -179.6 | -23.8 | 33.2 | 0 | 0 | 0 | 114.8 | ||
| 74 | H | 64.8 | Low | 60.5 | Low | 161 Ų | 161 | 116.2 Ų | 116.2 | 75% | 0.745 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.2 | 174.9 | -63.5 | -67.3 | 0 | 0 | 0 | 113.4 | N72 Y76 | N72-H74 PolarHBondContact O-N 3.2Å; N72-H74 PolarHBondContact OD1-N 3.39Å; H74-Y76 PolarHBondContact O-N 3.45Å |
| 75 | C | 59 | Low | 58.5 | Low | 29 Ų | 29 | 120.4 Ų | 120.4 | 20% | 0.196 | 58% | 0.583 | C | S | . | * | S | Bend | trans | -78.9 | 112.5 | 171.1 | -86.4 | 0 | 0 | 0 | 0 | 109.8 | H69 N72 C79 | H69-C75 PolarHBondContact ND1-O 3.01Å; N72-C75 HydrophobicContact CB-CB 4.24Å; N72-C75 PolarHBondContact ND2-SG 3.49Å; N72-C75 VanDerWaalsContact ND2-SG 3.36Å; N72-C75 WeakPolarHBondContact O-CB 3.43Å; N72-C75 PolarHBondContact O-N 3.15Å; C75-C79 VanDerWaalsContact CA-SG 3.51Å; C75-C79 HydrophobicContact CB-CB 3.69Å; C75-C79 VanDerWaalsContact SG-CB 3.55Å |
| 76 | Y | 59 | Low | 57.2 | Low | 190 Ų | 190 | 123.5 Ų | 123.5 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | trans | -62.7 | 157 | 168.9 | -77.2 | -80.6 | 0 | 0 | 0 | 110.6 | H74 R78 C79 | H74-Y76 PolarHBondContact O-N 3.45Å; Y76-R78 PolarHBondContact O-N 3.06Å; Y76-C79 PolarHBondContact N-SG 2.95Å; Y76-C79 WeakPolarHBondContact O-CB 3.4Å; Y76-C79 PolarHBondContact O-N 3.39Å; Y76-C79 PolarHBondContact O-SG 2.9Å; Y76-C79 VanDerWaalsContact O-SG 3.41Å | ||
| 77 | P | 56.3 | Low | 55.8 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 8.9 | -170.8 | 22.2 | -33.5 | 0 | 0 | 0 | 116.5 | ||
| 78 | R | 55.2 | Low | 55.1 | Low | 232 Ų | 232 | 130.5 Ų | 130.5 | 88% | 0.875 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 30.5 | 173 | -63.6 | -162 | -65.8 | -113.7 | 1.3 | 112.6 | Y76 D80 | Y76-R78 PolarHBondContact O-N 3.06Å; R78-D80 VanDerWaalsContact C-N 3.25Å; R78-D80 PolarHBondContact O-N 3.37Å |
| 79 | C | 53.6 | Low | 54.4 | Low | 47 Ų | 47 | 134.2 Ų | 134.2 | 32% | 0.318 | 67% | 0.666 | S | S | . | * | trans | -74.3 | 83 | 172.8 | -79.8 | 0 | 0 | 0 | 0 | 109.4 | C75 Y76 R81 | C75-C79 VanDerWaalsContact CA-SG 3.51Å; C75-C79 HydrophobicContact CB-CB 3.69Å; C75-C79 VanDerWaalsContact SG-CB 3.55Å; Y76-C79 PolarHBondContact N-SG 2.95Å; Y76-C79 WeakPolarHBondContact O-CB 3.4Å; Y76-C79 PolarHBondContact O-N 3.39Å; Y76-C79 PolarHBondContact O-SG 2.9Å; Y76-C79 VanDerWaalsContact O-SG 3.41Å; C79-R81 PolarHBondContact O-N 3.03Å; C79-R81 VanDerWaalsContact O-N 3.17Å | ||
| 80 | D | 54.6 | Low | 53.8 | Low | 71 Ų | 71 | 136.9 Ų | 136.9 | 38% | 0.38 | 68% | 0.681 | S | S | . | * | trans | -62.6 | 116.3 | 167.1 | -173.8 | -19.2 | 0 | 0 | 0 | 108.2 | R78 N82 Y83 G84 | R78-D80 VanDerWaalsContact C-N 3.25Å; R78-D80 PolarHBondContact O-N 3.37Å; D80-N82 PolarHBondContact O-N 2.94Å; D80-N82 VanDerWaalsContact OD1-CB 3.3Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.87Å; D80-N82 PolarHBondContact OD1-ND2 3Å; D80-Y83 HydrophobicContact CB-CD2 4.27Å; D80-Y83 PolarHBondContact O-N 2.95Å; D80-Y83 VanDerWaalsContact OD2-CD2 3.22Å; D80-Y83 WeakPolarHBondContact OD2-CD2 3.34Å; D80-G84 PolarHBondContact O-N 3.47Å | ||
| 81 | R | 50.2 | Low | 53.3 | Low | 211 Ų | 211 | 133.4 Ų | 133.4 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -18.4 | 176.3 | -164.2 | 172.8 | 113.2 | -178.6 | 3.3 | 113.1 | C79 | C79-R81 PolarHBondContact O-N 3.03Å; C79-R81 VanDerWaalsContact O-N 3.17Å |
| 82 | N | 52.9 | Low | 52.5 | Low | 138 Ų | 138 | 132.2 Ų | 132.2 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -11.6 | 176.2 | -52.7 | -65.9 | 0 | 0 | 0 | 114.5 | D80 | D80-N82 PolarHBondContact O-N 2.94Å; D80-N82 VanDerWaalsContact OD1-CB 3.3Å; D80-N82 WeakPolarHBondContact OD1-CB 3.49Å; D80-N82 PolarHBondContact OD1-N 2.87Å; D80-N82 PolarHBondContact OD1-ND2 3Å |
| 83 | Y | 47.6 | Very low | 52.1 | Low | 201 Ų | 201 | 136.4 Ų | 136.4 | 79% | 0.788 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -2.2 | -179.8 | -76.7 | -95.2 | 0 | 0 | 0 | 114.3 | D80 H85 | D80-Y83 HydrophobicContact CB-CD2 4.27Å; D80-Y83 PolarHBondContact O-N 2.95Å; D80-Y83 VanDerWaalsContact OD2-CD2 3.22Å; D80-Y83 WeakPolarHBondContact OD2-CD2 3.34Å; Y83-H85 PolarHBondContact O-N 3Å |
| 84 | G | 44.5 | Very low | 51.3 | Low | 55 Ų | 55 | 138.9 Ų | 138.9 | 57% | 0.567 | 69% | 0.692 | S | S | * | * | trans | -71.3 | 113.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D80 | D80-G84 PolarHBondContact O-N 3.47Š| ||
| 85 | H | 35.8 | Very low | 50.3 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 82% | 0.819 | 69% | 0.688 | S | S | * | * | trans | -53.2 | 131.5 | 167.6 | -101.4 | -58.1 | 0 | 0 | 0 | 109.5 | Y83 V87 | Y83-H85 PolarHBondContact O-N 3Å; H85-V87 PolarHBondContact O-N 3.28Å | ||
| 86 | P | 40.8 | Very low | 49.5 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -65.1 | 127.1 | 173.3 | 27.8 | -31.8 | 0 | 0 | 0 | 108.3 | ||||
| 87 | V | 44 | Very low | 48.7 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 100% | 1.285 | 73% | 0.727 | S | S | * | * | trans | -103.4 | 0 | 163.4 | -162.4 | 0 | 0 | 0 | 0 | 107.4 | H85 | H85-V87 PolarHBondContact O-N 3.28Š|
Retrieved 87 of 87 residues in 17.9 ms
(Link to these results)