| 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 | 77.1 | Confident | 86 | Confident | 150 Ų | 150 | 110.5 Ų | 110.5 | 74% | 0.739 | 60% | 0.603 | S | S | * | * | 0 | 131.1 | 0 | -72.4 | 177.9 | 176.9 | 0 | 0 | 108.9 | P8 | M1-P8 HydrophobicContact CE-CB 4.25Å; M1-P8 HydrophobicContact CE-CG 4.33Å | |||
| 2 | Y | 74 | Confident | 86.5 | Confident | 184 Ų | 184 | 108.3 Ų | 108.3 | 72% | 0.722 | 63% | 0.625 | S | S | * | * | B | Isolated β-bridge | trans | -117.7 | 130.5 | 175.6 | -174.6 | -99 | 0 | 0 | 0 | 107.3 | G4 I5 | Y2-G4 PolarHBondContact O-N 2.94Å; Y2-G4 VanDerWaalsContact O-N 3.12Å; Y2-I5 PolarHBondContact N-O 2.96Å; Y2-I5 WeakPolarHBondContact O-CG1 3.43Å; Y2-I5 PolarHBondContact O-N 3.44Å |
| 3 | N | 86.9 | Confident | 86.7 | Confident | 133 Ų | 133 | 103.2 Ų | 103.2 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.9 | 31.8 | -172.6 | -66.1 | -14.3 | 0 | 0 | 0 | 115.4 | I5 | N3-I5 HydrophobicContact CB-CG1 4.39Å; N3-I5 PolarHBondContact O-N 3.47Å; N3-I5 VanDerWaalsContact O-N 3.16Å |
| 4 | G | 88.6 | Confident | 87 | Confident | 68 Ų | 68 | 101.9 Ų | 101.9 | 70% | 0.701 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 8.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y2 | Y2-G4 PolarHBondContact O-N 2.94Å; Y2-G4 VanDerWaalsContact O-N 3.12Å |
| 5 | I | 88.9 | Confident | 87.3 | Confident | 98 Ų | 98 | 100.5 Ų | 100.5 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | B | Isolated β-bridge | trans | -107.4 | 146.8 | 176.8 | 54.6 | 168.4 | 0 | 0 | 0 | 111.3 | Y2 N3 V19 | Y2-I5 PolarHBondContact N-O 2.96Å; Y2-I5 WeakPolarHBondContact O-CG1 3.43Å; Y2-I5 PolarHBondContact O-N 3.44Å; N3-I5 HydrophobicContact CB-CG1 4.39Å; N3-I5 PolarHBondContact O-N 3.47Å; N3-I5 VanDerWaalsContact O-N 3.16Å; I5-V19 HydrophobicContact CD1-CG1 4.2Å |
| 6 | G | 89.1 | Confident | 87.4 | Confident | 37 Ų | 37 | 103.9 Ų | 103.9 | 38% | 0.381 | 62% | 0.624 | S | S | . | * | S | Bend | trans | 93.9 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 7 | L | 88.3 | Confident | 87.5 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | trans | -84.7 | 153.6 | 178.5 | -66.3 | 172.2 | 0 | 0 | 0 | 111.6 | ||||
| 8 | P | 88.9 | Confident | 87.7 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 66% | 0.662 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -69.2 | -34.4 | 175 | 27 | -31.7 | 0 | 0 | 0 | 112.1 | M1 | M1-P8 HydrophobicContact CE-CB 4.25Å; M1-P8 HydrophobicContact CE-CG 4.33Å |
| 9 | T | 87.2 | Confident | 87.9 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | trans | -144.1 | 148.1 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | R11 | T9-R11 HydrophobicContact CG2-CB 4.22Å; T9-R11 PolarHBondContact OG1-N 3.22Å | ||
| 10 | A | 86.8 | Confident | 88.1 | Confident | 46 Ų | 46 | 104.9 Ų | 104.9 | 38% | 0.38 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -73.7 | -16.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G12 S13 A17 | A10-G12 PolarHBondContact O-N 3.08Å; A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 3.48Å; A10-A17 HydrophobicContact CB-CB 3.56Å |
| 11 | R | 90.7 | Very high | 88.2 | Confident | 226 Ų | 226 | 109.4 Ų | 109.4 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 125.5 | 180 | -174 | 175.1 | 179.3 | 162.2 | -0.1 | 109.9 | T9 | T9-R11 HydrophobicContact CG2-CB 4.22Å; T9-R11 PolarHBondContact OG1-N 3.22Å |
| 12 | G | 91.3 | Very high | 88.9 | Confident | 84 Ų | 84 | 107.4 Ų | 107.4 | 87% | 0.866 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90 | -7.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A10 | A10-G12 PolarHBondContact O-N 3.08Š|
| 13 | S | 89.2 | Confident | 89.7 | Confident | 42 Ų | 42 | 105 Ų | 105 | 29% | 0.294 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -86.5 | -11.8 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 114.4 | A10 T15 | A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 3.48Å; S13-T15 PolarHBondContact O-N 3.1Å; S13-T15 PolarHBondContact OG-N 3.17Å; S13-T15 PolarHBondContact OG-O 2.89Å; S13-T15 PolarHBondContact OG-OG1 3.04Å; S13-T15 VanDerWaalsContact OG-OG1 3.06Å |
| 14 | G | 91.5 | Very high | 89.9 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 87% | 0.866 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 65.9 | 13.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 15 | T | 90.5 | Very high | 90 | Very high | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -137.7 | 163.2 | -178 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | S13 A17 | S13-T15 PolarHBondContact O-N 3.1Å; S13-T15 PolarHBondContact OG-N 3.17Å; S13-T15 PolarHBondContact OG-O 2.89Å; S13-T15 PolarHBondContact OG-OG1 3.04Å; S13-T15 VanDerWaalsContact OG-OG1 3.06Å; T15-A17 PolarHBondContact O-N 2.88Å; T15-A17 VanDerWaalsContact O-N 3.07Å |
| 16 | N | 89.8 | Confident | 89.8 | Confident | 155 Ų | 155 | 108.6 Ų | 108.6 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | trans | -72.4 | 0.9 | -179.5 | -47.5 | -4.4 | 0 | 0 | 0 | 113.1 | Y18 | N16-Y18 PolarHBondContact O-N 3.47Å; N16-Y18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | A | 89.4 | Confident | 89.4 | Confident | 33 Ų | 33 | 110.5 Ų | 110.5 | 27% | 0.273 | 62% | 0.623 | S | S | . | * | trans | 51.4 | 29.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A10 T15 V19 | A10-A17 HydrophobicContact CB-CB 3.56Å; T15-A17 PolarHBondContact O-N 2.88Å; T15-A17 VanDerWaalsContact O-N 3.07Å; A17-V19 PolarHBondContact O-N 3.06Å | ||
| 18 | Y | 91.1 | Very high | 89 | Confident | 183 Ų | 183 | 112.2 Ų | 112.2 | 72% | 0.718 | 64% | 0.637 | S | S | * | * | trans | -74.9 | 118.3 | 177.3 | -175.8 | -117.8 | 0 | 0 | 0 | 110.8 | N16 Q20 | N16-Y18 PolarHBondContact O-N 3.47Å; N16-Y18 VanDerWaalsContact O-N 3.16Å; Y18-Q20 HydrophobicContact CD1-CG 3.93Å; Y18-Q20 HydrophobicContact CE1-CG 3.37Å | ||
| 19 | V | 90.9 | Very high | 88.2 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | trans | -104.7 | 119.1 | -177.8 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | I5 A17 | I5-V19 HydrophobicContact CD1-CG1 4.2Å; A17-V19 PolarHBondContact O-N 3.06Å | ||
| 20 | Q | 91.3 | Very high | 87.1 | Confident | 144 Ų | 144 | 113.3 Ų | 113.3 | 67% | 0.673 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 148.1 | 172 | -70.4 | -178.5 | -37.6 | 0 | 0 | 110.7 | Y18 | Y18-Q20 HydrophobicContact CD1-CG 3.93Å; Y18-Q20 HydrophobicContact CE1-CG 3.37Å |
| 21 | R | 91.6 | Very high | 86 | Confident | 199 Ų | 199 | 119.7 Ų | 119.7 | 75% | 0.751 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 142.2 | 169.8 | 69 | -175.1 | -175.4 | 88.7 | 0.6 | 110.1 | L23 | R21-L23 HydrophobicContact CG-CD2 4.37Å; R21-L23 PolarHBondContact O-N 2.89Å |
| 22 | N | 90.2 | Very high | 84.6 | Confident | 109 Ų | 109 | 118.2 Ų | 118.2 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 117.3 | 172.5 | -175.8 | -2.8 | 0 | 0 | 0 | 110.1 | A24 F25 | N22-A24 WeakPolarHBondContact OD1-CB 3.4Å; N22-A24 PolarHBondContact OD1-N 3.49Å; N22-F25 HydrophobicContact CB-CB 4.16Å |
| 23 | L | 92 | Very high | 83.4 | Confident | 133 Ų | 133 | 119.5 Ų | 119.5 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -23.2 | 176.9 | -63.8 | -178.6 | 0 | 0 | 0 | 113.5 | R21 F25 | R21-L23 HydrophobicContact CG-CD2 4.37Å; R21-L23 PolarHBondContact O-N 2.89Å; L23-F25 VanDerWaalsContact C-N 3.31Å |
| 24 | A | 91.8 | Very high | 82.3 | Confident | 82 Ų | 82 | 120.5 Ų | 120.5 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -2.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | N22 I26 | N22-A24 WeakPolarHBondContact OD1-CB 3.4Å; N22-A24 PolarHBondContact OD1-N 3.49Å; A24-I26 PolarHBondContact O-N 3.43Å; A24-I26 VanDerWaalsContact O-N 3.15Å |
| 25 | F | 89 | Confident | 81.1 | Confident | 152 Ų | 152 | 126.2 Ų | 126.2 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | trans | -74.4 | 106.2 | 177.4 | -176.5 | -100.7 | 0 | 0 | 0 | 110.3 | N22 L23 A27 | N22-F25 HydrophobicContact CB-CB 4.16Å; L23-F25 VanDerWaalsContact C-N 3.31Å; F25-A27 HydrophobicContact CE1-CB 4.3Å; F25-A27 PolarHBondContact O-N 3.28Å | ||
| 26 | I | 85.1 | Confident | 80.1 | Confident | 140 Ų | 140 | 131.3 Ų | 131.3 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | trans | -81 | 113 | 169.5 | -59.2 | 172.3 | 0 | 0 | 0 | 107.3 | A24 V28 | A24-I26 PolarHBondContact O-N 3.43Å; A24-I26 VanDerWaalsContact O-N 3.15Å; I26-V28 VanDerWaalsContact C-N 3.34Å; I26-V28 PolarHBondContact O-N 2.71Å | ||
| 27 | A | 81.6 | Confident | 79.5 | Confident | 78 Ų | 78 | 127.9 Ų | 127.9 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | trans | -65.1 | 96.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | F25 S29 | F25-A27 HydrophobicContact CE1-CB 4.3Å; F25-A27 PolarHBondContact O-N 3.28Å; A27-S29 PolarHBondContact O-N 3.03Å | ||
| 28 | V | 78.5 | Confident | 79 | Confident | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | trans | -65.6 | 105.6 | 170.9 | -174.6 | 0 | 0 | 0 | 0 | 106.2 | I26 T30 | I26-V28 VanDerWaalsContact C-N 3.34Å; I26-V28 PolarHBondContact O-N 2.71Å; V28-T30 PolarHBondContact O-N 2.86Å | ||
| 29 | S | 72.9 | Confident | 78.5 | Confident | 79 Ų | 79 | 129.1 Ų | 129.1 | 55% | 0.552 | 67% | 0.673 | S | S | * | * | trans | -55.3 | 108.1 | 174.4 | 153.6 | 0 | 0 | 0 | 0 | 108.1 | A27 K31 | A27-S29 PolarHBondContact O-N 3.03Å; S29-K31 PolarHBondContact O-N 3.18Å; S29-K31 WeakPolarHBondContact OG-CB 3.47Å; S29-K31 VanDerWaalsContact OG-CG 3.29Å; S29-K31 WeakPolarHBondContact OG-CG 3.43Å; S29-K31 PolarHBondContact OG-N 3.1Å | ||
| 30 | T | 64.2 | Low | 78 | Confident | 131 Ų | 131 | 128.7 Ų | 128.7 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -70.1 | 27.6 | 171 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | V28 K32 | V28-T30 PolarHBondContact O-N 2.86Å; T30-K32 PolarHBondContact O-N 3.21Å | ||
| 31 | K | 63 | Low | 77.4 | Confident | 179 Ų | 179 | 125.9 Ų | 125.9 | 78% | 0.778 | 66% | 0.657 | S | S | * | * | trans | -64.9 | 82.1 | 159.1 | -72.1 | -177.9 | -180 | -177.8 | 0 | 106.4 | S29 V33 | S29-K31 PolarHBondContact O-N 3.18Å; S29-K31 WeakPolarHBondContact OG-CB 3.47Å; S29-K31 VanDerWaalsContact OG-CG 3.29Å; S29-K31 WeakPolarHBondContact OG-CG 3.43Å; S29-K31 PolarHBondContact OG-N 3.1Å; K31-V33 PolarHBondContact O-N 2.89Å | ||
| 32 | K | 62.8 | Low | 76.9 | Confident | 195 Ų | 195 | 124.2 Ų | 124.2 | 85% | 0.848 | 65% | 0.651 | S | S | * | * | trans | -45.9 | 117.4 | 162.6 | -70.4 | -178.5 | 176.5 | -177.5 | 0 | 105.1 | T30 G34 | T30-K32 PolarHBondContact O-N 3.21Å; K32-G34 PolarHBondContact O-N 3.36Å | ||
| 33 | V | 65.8 | Low | 76.4 | Confident | 111 Ų | 111 | 126.5 Ų | 126.5 | 67% | 0.673 | 65% | 0.651 | S | S | * | * | trans | -57.3 | 102.6 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 104 | K31 Y35 | K31-V33 PolarHBondContact O-N 2.89Å; V33-Y35 WeakPolarHBondContact O-CD2 3.16Å; V33-Y35 PolarHBondContact O-N 3.32Å | ||
| 34 | G | 64.8 | Low | 75.7 | Confident | 64 Ų | 64 | 121.6 Ų | 121.6 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | trans | -68.1 | 89.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | K32 R36 | K32-G34 PolarHBondContact O-N 3.36Å; G34-R36 PolarHBondContact O-N 3.47Å | ||
| 35 | Y | 67.6 | Low | 75.1 | Confident | 203 Ų | 203 | 122.5 Ų | 122.5 | 80% | 0.796 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 117.8 | 163.1 | -66.6 | -81.3 | 0 | 0 | 0 | 105.3 | V33 T37 | V33-Y35 WeakPolarHBondContact O-CD2 3.16Å; V33-Y35 PolarHBondContact O-N 3.32Å; Y35-T37 PolarHBondContact O-N 3.25Å |
| 36 | R | 68 | Low | 74.5 | Confident | 189 Ų | 189 | 118.3 Ų | 118.3 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119.1 | 174.7 | -73.9 | -173.8 | 178.1 | 178.3 | 1.1 | 105.8 | G34 D40 | G34-R36 PolarHBondContact O-N 3.47Å; R36-D40 HydrophobicContact CB-CB 3.91Å; R36-D40 HydrophobicContact CG-CB 4.32Å |
| 37 | T | 78.3 | Confident | 74 | Confident | 84 Ų | 84 | 121.4 Ų | 121.4 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 154.3 | 175.3 | -46.7 | 0 | 0 | 0 | 0 | 107.3 | Y35 D39 D40 L41 | Y35-T37 PolarHBondContact O-N 3.25Å; T37-D39 HydrophobicContact CG2-CB 4.41Å; T37-D39 PolarHBondContact O-N 3.41Å; T37-D40 PolarHBondContact N-OD2 3.35Å; T37-D40 WeakPolarHBondContact O-CA 3.34Å; T37-D40 WeakPolarHBondContact O-CB 3.5Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; T37-L41 PolarHBondContact O-N 3.22Å; T37-L41 VanDerWaalsContact O-N 3.07Å |
| 38 | E | 79 | Confident | 73.5 | Confident | 171 Ų | 171 | 124.6 Ų | 124.6 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.9 | -32.9 | 174.1 | -65.5 | -174.2 | 163.8 | 0 | 0 | 111.7 | L41 R42 | E38-L41 PolarHBondContact O-N 2.99Å; E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.38Å |
| 39 | D | 80.1 | Confident | 73.2 | Confident | 70 Ų | 70 | 124.8 Ų | 124.8 | 37% | 0.374 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.5 | -38.6 | 171.6 | -83.3 | -41.5 | 0 | 0 | 0 | 114.5 | T37 R42 R43 | T37-D39 HydrophobicContact CG2-CB 4.41Å; T37-D39 PolarHBondContact O-N 3.41Å; D39-R42 IonicContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH2 3.8Å; D39-R42 PolarHBondContact OD1-NH2 3.47Å; D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.45Å |
| 40 | D | 81.2 | Confident | 73.5 | Confident | 66 Ų | 66 | 127.4 Ų | 127.4 | 35% | 0.353 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.6 | -38.8 | 176.3 | -66 | -42.5 | 0 | 0 | 0 | 110.8 | R36 T37 R43 S44 | R36-D40 HydrophobicContact CB-CB 3.91Å; R36-D40 HydrophobicContact CG-CB 4.32Å; T37-D40 PolarHBondContact N-OD2 3.35Å; T37-D40 WeakPolarHBondContact O-CA 3.34Å; T37-D40 WeakPolarHBondContact O-CB 3.5Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; D40-R43 PolarHBondContact O-N 3.49Å; D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.19Å; D40-S44 PolarHBondContact O-OG 3.45Å |
| 41 | L | 78.5 | Confident | 74.5 | Confident | 86 Ų | 86 | 129.4 Ų | 129.4 | 45% | 0.45 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.6 | -51.5 | 174.2 | -173.9 | 66.3 | 0 | 0 | 0 | 110.2 | T37 E38 R43 S44 E45 | T37-L41 PolarHBondContact O-N 3.22Å; T37-L41 VanDerWaalsContact O-N 3.07Å; E38-L41 PolarHBondContact O-N 2.99Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.06Å; L41-S44 WeakPolarHBondContact O-CA 3.48Å; L41-S44 WeakPolarHBondContact O-CB 3.19Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.89Å; L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.06Å |
| 42 | R | 80 | Confident | 75.7 | Confident | 163 Ų | 163 | 122.7 Ų | 122.7 | 62% | 0.615 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.6 | -42.2 | 177.6 | -174.6 | 174.1 | 63.6 | 152.6 | -3.2 | 112.4 | E38 D39 A46 | E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.38Å; D39-R42 IonicContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH2 3.8Å; D39-R42 PolarHBondContact OD1-NH2 3.47Å; R42-A46 VanDerWaalsContact O-CB 3.31Å; R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.5Å |
| 43 | R | 80.8 | Confident | 77.1 | Confident | 158 Ų | 158 | 116.4 Ų | 116.4 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -39 | 174.8 | -74.7 | 171.2 | -174.3 | -170.2 | 2.6 | 111.9 | D39 D40 L41 R47 | D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.45Å; D40-R43 PolarHBondContact O-N 3.49Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.06Å; R43-R47 VanDerWaalsContact O-CG 3.32Å; R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 3.12Å; R43-R47 VanDerWaalsContact O-N 3.1Å |
| 44 | S | 77.3 | Confident | 78.2 | Confident | 30 Ų | 30 | 113.9 Ų | 113.9 | 21% | 0.21 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -67.5 | -43.4 | 178.2 | 74.7 | 0 | 0 | 0 | 0 | 111.9 | D40 L41 R47 L48 | D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.19Å; D40-S44 PolarHBondContact O-OG 3.45Å; L41-S44 WeakPolarHBondContact O-CA 3.48Å; L41-S44 WeakPolarHBondContact O-CB 3.19Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.89Å; S44-R47 PolarHBondContact O-N 3.42Å; S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å |
| 45 | E | 78 | Confident | 79.5 | Confident | 100 Ų | 100 | 118 Ų | 118 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -41.9 | 175.3 | -70.1 | 179 | 168.6 | 0 | 0 | 111.6 | L41 R47 L48 N49 | L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.06Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.04Å; E45-L48 PolarHBondContact O-N 3.39Å; E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 2.89Å; E45-N49 PolarHBondContact O-ND2 3.27Å |
| 46 | A | 77.2 | Confident | 80.6 | Confident | 64 Ų | 64 | 111 Ų | 111 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R42 K50 | R42-A46 VanDerWaalsContact O-CB 3.31Å; R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.5Å; A46-K50 PolarHBondContact O-N 2.95Å |
| 47 | R | 73.5 | Confident | 81.6 | Confident | 206 Ų | 206 | 102.3 Ų | 102.3 | 78% | 0.777 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.6 | -37.8 | 175.4 | -73.6 | 176 | -174 | -156.5 | 2.1 | 112.3 | R43 S44 E45 | R43-R47 VanDerWaalsContact O-CG 3.32Å; R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 3.12Å; R43-R47 VanDerWaalsContact O-N 3.1Å; S44-R47 PolarHBondContact O-N 3.42Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.04Å |
| 48 | L | 71.7 | Confident | 82.3 | Confident | 144 Ų | 144 | 101.7 Ų | 101.7 | 75% | 0.754 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.1 | -34.9 | 178.9 | -67.8 | 172.1 | 0 | 0 | 0 | 112.1 | S44 E45 | S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.39Å |
| 49 | N | 71.9 | Confident | 82.9 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 68% | 0.679 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 20.3 | -176.3 | -63.3 | -36.7 | 0 | 0 | 0 | 113.6 | E45 K51 | E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 2.89Å; E45-N49 PolarHBondContact O-ND2 3.27Å; N49-K51 PolarHBondContact O-N 3.16Å |
| 50 | K | 80.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 97.4 Ų | 97.4 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 122.7 | 180 | -171 | 178.3 | -179.9 | -172.5 | 0 | 109.2 | A46 T127 | A46-K50 PolarHBondContact O-N 2.95Å; K50-T127 WeakPolarHBondContact O-CG2 3.37Å |
| 51 | K | 85.2 | Confident | 84 | Confident | 173 Ų | 173 | 96 Ų | 96 | 75% | 0.752 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 147.3 | 176 | -66.6 | -177 | 179.5 | -178.2 | 0 | 110.6 | N49 | N49-K51 PolarHBondContact O-N 3.16Š|
| 52 | P | 88.3 | Confident | 84.6 | Confident | 37 Ų | 37 | 98.2 Ų | 98.2 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -64 | 143.8 | 171.7 | 29.8 | -34.2 | 0 | 0 | 0 | 109.6 | L57 H124 E128 | P52-L57 HydrophobicContact CB-CD1 4.02Å; P52-H124 HydrophobicContact CB-CB 4.47Å; P52-E128 HydrophobicContact CB-CB 4.21Å; P52-E128 HydrophobicContact CG-CB 4.22Å |
| 53 | N | 90.3 | Very high | 85.3 | Confident | 63 Ų | 63 | 96.9 Ų | 96.9 | 34% | 0.337 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 116.1 | 176.7 | -175.1 | -1.1 | 0 | 0 | 0 | 108.7 | E55 I56 L57 H124 | N53-E55 VanDerWaalsContact C-N 3.26Å; N53-E55 PolarHBondContact O-N 3.28Å; N53-E55 PolarHBondContact OD1-N 3.13Å; N53-I56 HydrophobicContact CB-CB 4.31Å; N53-I56 HydrophobicContact CB-CD1 3.93Å; N53-I56 HydrophobicContact CB-CG1 4.07Å; N53-I56 PolarHBondContact O-N 3.09Å; N53-I56 VanDerWaalsContact O-N 3.15Å; N53-L57 WeakPolarHBondContact O-CG 3.22Å; N53-L57 PolarHBondContact O-N 2.88Å; N53-H124 PolarHBondContact N-ND1 3.07Å |
| 54 | A | 90.2 | Very high | 85.8 | Confident | 59 Ų | 59 | 90.7 Ų | 90.7 | 49% | 0.488 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.7 | -38 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I56 L57 D58 | A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.37Å; A54-L57 PolarHBondContact O-N 3.04Å; A54-D58 WeakPolarHBondContact O-CB 3.29Å; A54-D58 PolarHBondContact O-N 3.11Å |
| 55 | E | 91.5 | Very high | 86.7 | Confident | 151 Ų | 151 | 89.3 Ų | 89.3 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.1 | -36.7 | 179.9 | -64.1 | 176.2 | 177.6 | 0 | 0 | 112.3 | N53 H59 | N53-E55 VanDerWaalsContact C-N 3.26Å; N53-E55 PolarHBondContact O-N 3.28Å; N53-E55 PolarHBondContact OD1-N 3.13Å; E55-H59 VanDerWaalsContact O-CB 3.22Å; E55-H59 WeakPolarHBondContact O-CB 3.29Å; E55-H59 PolarHBondContact O-N 3.16Å |
| 56 | I | 90.9 | Very high | 87.5 | Confident | 54 Ų | 54 | 88.7 Ų | 88.7 | 28% | 0.277 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 178.6 | -64.3 | 176.6 | 0 | 0 | 0 | 110 | N53 A54 D58 H59 E60 H124 | N53-I56 HydrophobicContact CB-CB 4.31Å; N53-I56 HydrophobicContact CB-CD1 3.93Å; N53-I56 HydrophobicContact CB-CG1 4.07Å; N53-I56 PolarHBondContact O-N 3.09Å; N53-I56 VanDerWaalsContact O-N 3.15Å; A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.37Å; I56-D58 PolarHBondContact O-N 3.05Å; I56-H59 PolarHBondContact O-N 3.38Å; I56-E60 PolarHBondContact O-N 3.46Å; I56-H124 WeakPolarHBondContact CD1-NE2 3.37Å; I56-H124 HydrophobicContact CG2-CB 4.42Å |
| 57 | L | 89.5 | Confident | 88.3 | Confident | 7 Ų | 7 | 88.7 Ų | 88.7 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 176.5 | -62.2 | 176 | 0 | 0 | 0 | 111.2 | P52 N53 A54 H59 E60 R61 H124 H125 E128 | P52-L57 HydrophobicContact CB-CD1 4.02Å; N53-L57 WeakPolarHBondContact O-CG 3.22Å; N53-L57 PolarHBondContact O-N 2.88Å; A54-L57 PolarHBondContact O-N 3.04Å; L57-H59 VanDerWaalsContact C-N 3.35Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-E60 PolarHBondContact O-N 3.06Å; L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.87Å; L57-H124 HydrophobicContact CD2-CB 4.08Å; L57-H125 WeakPolarHBondContact CD2-CD2 3.3Å; L57-H125 WeakPolarHBondContact CD2-NE2 3.44Å; L57-E128 HydrophobicContact CD1-CB 4.45Å; L57-E128 HydrophobicContact CD1-CG 4.35Å |
| 58 | D | 91.9 | Very high | 89.4 | Confident | 72 Ų | 72 | 82 Ų | 82 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 179.7 | -70.4 | -19.9 | 0 | 0 | 0 | 112.1 | A54 I56 R61 K62 | A54-D58 WeakPolarHBondContact O-CB 3.29Å; A54-D58 PolarHBondContact O-N 3.11Å; I56-D58 PolarHBondContact O-N 3.05Å; D58-R61 IonicContact OD1-NH1 3.89Å; D58-R61 PolarHBondContact OD1-NH1 3.3Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.2Å |
| 59 | H | 93.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 75.3 Ų | 75.3 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -45.7 | 173.6 | 176.9 | -95.6 | 0 | 0 | 0 | 111.5 | E55 I56 L57 R61 K62 R63 | E55-H59 VanDerWaalsContact O-CB 3.22Å; E55-H59 WeakPolarHBondContact O-CB 3.29Å; E55-H59 PolarHBondContact O-N 3.16Å; I56-H59 PolarHBondContact O-N 3.38Å; L57-H59 VanDerWaalsContact C-N 3.35Å; L57-H59 PolarHBondContact O-N 3.42Å; H59-R61 PolarHBondContact O-N 3.49Å; H59-K62 PolarHBondContact O-N 2.93Å; H59-R63 VanDerWaalsContact O-CB 3.26Å; H59-R63 WeakPolarHBondContact O-CB 3.35Å; H59-R63 PolarHBondContact O-N 3.09Å |
| 60 | E | 90.9 | Very high | 91.8 | Very high | 31 Ų | 31 | 73.7 Ų | 73.7 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 179.4 | -75.1 | -169.6 | -153.2 | 0 | 0 | 112.9 | I56 L57 R63 K64 D122 H125 | I56-E60 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 3.06Å; E60-R63 PolarHBondContact O-N 3.06Å; E60-K64 PolarHBondContact O-N 3.23Å; E60-D122 WeakPolarHBondContact OE1-CB 3.31Å; E60-D122 WeakPolarHBondContact OE2-CB 3.25Å; E60-H125 VanDerWaalsContact CB-CE1 3.41Å; E60-H125 WeakPolarHBondContact CB-CE1 3.43Å; E60-H125 VanDerWaalsContact CD-CE1 3.41Å; E60-H125 IonicContact OE2-CE1 2.71Å; E60-H125 PolarHBondContact OE2-CE1 2.92Å; E60-H125 IonicContact OE2-ND1 3.32Å; E60-H125 PolarHBondContact OE2-ND1 3.33Å |
| 61 | R | 91.7 | Very high | 92.5 | Very high | 37 Ų | 37 | 73.3 Ų | 73.3 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 171.7 | -75.3 | 170.6 | -174.6 | 158.3 | 1.9 | 111.7 | L57 D58 H59 K64 V65 L101 F108 V109 E128 | L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.87Å; D58-R61 IonicContact OD1-NH1 3.89Å; D58-R61 PolarHBondContact OD1-NH1 3.3Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; H59-R61 PolarHBondContact O-N 3.49Å; R61-K64 PolarHBondContact O-N 3.48Å; R61-V65 PolarHBondContact O-N 3.35Å; R61-L101 HydrophobicContact CB-CD1 3.74Å; R61-L101 HydrophobicContact CB-CD2 4.36Å; R61-L101 HydrophobicContact CG-CD1 4.09Å; R61-F108 HydrophobicContact CG-CB 4.4Å; R61-V109 HydrophobicContact CG-CG2 3.82Å; R61-E128 IonicContact NH2-OE1 3.6Å; R61-E128 PolarHBondContact NH2-OE1 3.07Å; R61-E128 IonicContact NH2-OE2 3.81Å |
| 62 | K | 92.8 | Very high | 93.1 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 176.5 | -71.2 | 174.5 | -176.5 | 176.9 | 0 | 112.1 | D58 H59 K64 V65 E66 | D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.2Å; H59-K62 PolarHBondContact O-N 2.93Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.4Å; K62-V65 WeakPolarHBondContact O-CB 3.28Å; K62-V65 PolarHBondContact O-N 3.31Å; K62-V65 VanDerWaalsContact O-N 3.16Å; K62-E66 PolarHBondContact O-N 2.95Å; K62-E66 VanDerWaalsContact O-N 3.11Å |
| 63 | R | 93.6 | Very high | 93.5 | Very high | 136 Ų | 136 | 70.5 Ų | 70.5 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -42.1 | 175.9 | -179.8 | 179.1 | 176.5 | -88.3 | -6.4 | 111.2 | H59 E60 V65 E66 L67 | H59-R63 VanDerWaalsContact O-CB 3.26Å; H59-R63 WeakPolarHBondContact O-CB 3.35Å; H59-R63 PolarHBondContact O-N 3.09Å; E60-R63 PolarHBondContact O-N 3.06Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-E66 PolarHBondContact O-N 3.42Å; R63-L67 HydrophobicContact CG-CD1 4.32Å; R63-L67 HydrophobicContact CG-CG 4.48Å; R63-L67 WeakPolarHBondContact O-CG 3.42Å; R63-L67 PolarHBondContact O-N 3.31Å |
| 64 | K | 92.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 71.7 Ų | 71.7 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -32.1 | 177.5 | -82.4 | 174.9 | 163.2 | -160.5 | 0 | 113.3 | E60 R61 K62 K68 F108 V109 E111 | E60-K64 PolarHBondContact O-N 3.23Å; R61-K64 PolarHBondContact O-N 3.48Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.4Å; K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.34Å; K64-F108 HydrophobicContact CB-CD1 4.36Å; K64-F108 WeakPolarHBondContact CD-O 3.34Å; K64-V109 PolarHBondContact NZ-O 3.05Å; K64-E111 WeakPolarHBondContact CE-OE1 3.15Å; K64-E111 IonicContact NZ-OE1 2.74Å; K64-E111 PolarHBondContact NZ-OE1 2.79Å |
| 65 | V | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -52.1 | 169.8 | 172 | 0 | 0 | 0 | 0 | 110.3 | R61 K62 R63 L67 K68 C69 L97 L98 L101 F108 | R61-V65 PolarHBondContact O-N 3.35Å; K62-V65 WeakPolarHBondContact O-CB 3.28Å; K62-V65 PolarHBondContact O-N 3.31Å; K62-V65 VanDerWaalsContact O-N 3.16Å; R63-V65 VanDerWaalsContact C-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.95Å; V65-K68 PolarHBondContact O-N 3.37Å; V65-C69 PolarHBondContact O-N 3.48Å; V65-C69 PolarHBondContact O-SG 2.92Å; V65-L97 HydrophobicContact CG1-CB 3.76Å; V65-L97 HydrophobicContact CG1-CD1 4.14Å; V65-L97 HydrophobicContact CG2-CB 4.29Å; V65-L98 HydrophobicContact CG1-CD2 4.29Å; V65-L98 HydrophobicContact CG1-CG 4.4Å; V65-L101 HydrophobicContact CG2-CB 4.46Å; V65-L101 HydrophobicContact CG2-CD2 4.04Å; V65-F108 HydrophobicContact CG2-CD1 3.85Å; V65-F108 HydrophobicContact CG2-CE1 3.59Å; V65-F108 HydrophobicContact CG2-CZ 4.26Å |
| 66 | E | 95.5 | Very high | 94.4 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -33.5 | -178.7 | -65.6 | -57.6 | 150.1 | 0 | 0 | 112.9 | K62 R63 C69 L70 R94 | K62-E66 PolarHBondContact O-N 2.95Å; K62-E66 VanDerWaalsContact O-N 3.11Å; R63-E66 PolarHBondContact O-N 3.42Å; E66-C69 WeakPolarHBondContact O-CB 3.42Å; E66-C69 PolarHBondContact O-N 3.15Å; E66-L70 WeakPolarHBondContact O-CB 3.35Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-R94 IonicContact OE1-NE 3.43Å; E66-R94 PolarHBondContact OE1-NE 2.84Å; E66-R94 IonicContact OE2-CZ 3.04Å; E66-R94 IonicContact OE2-NE 3.55Å; E66-R94 PolarHBondContact OE2-NE 2.76Å; E66-R94 IonicContact OE2-NH2 3.46Å; E66-R94 PolarHBondContact OE2-NH2 3.34Å |
| 67 | L | 94.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 68.1 Ų | 68.1 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60 | -47 | 172.8 | -76.5 | 173.5 | 0 | 0 | 0 | 111.8 | R63 V65 C69 L70 E71 | R63-L67 HydrophobicContact CG-CD1 4.32Å; R63-L67 HydrophobicContact CG-CG 4.48Å; R63-L67 WeakPolarHBondContact O-CG 3.42Å; R63-L67 PolarHBondContact O-N 3.31Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.95Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 3.5Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-E71 WeakPolarHBondContact O-CG 3.39Å; L67-E71 PolarHBondContact O-N 3.34Å |
| 68 | K | 95.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.2 | -69.3 | 179 | -178.5 | 178.2 | 0 | 111.8 | K64 V65 L70 E71 L72 Y93 L97 F108 | K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.34Å; V65-K68 PolarHBondContact O-N 3.37Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-E71 PolarHBondContact O-N 3.05Å; K68-L72 PolarHBondContact O-N 3.49Å; K68-Y93 HydrophobicContact CB-CE1 3.96Å; K68-L97 HydrophobicContact CB-CD1 3.62Å; K68-L97 HydrophobicContact CD-CD1 3.95Å; K68-L97 HydrophobicContact CD-CD2 3.92Å; K68-L97 HydrophobicContact CG-CD1 4.44Å; K68-F108 HydrophobicContact CD-CE1 4.29Å |
| 69 | C | 96.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.5 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | V65 E66 L67 R73 V90 | V65-C69 PolarHBondContact O-N 3.48Å; V65-C69 PolarHBondContact O-SG 2.92Å; E66-C69 WeakPolarHBondContact O-CB 3.42Å; E66-C69 PolarHBondContact O-N 3.15Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 3.5Å; C69-R73 PolarHBondContact O-N 2.94Å; C69-R73 VanDerWaalsContact O-N 3.09Å; C69-V90 HydrophobicContact CB-CG1 4.11Å |
| 70 | L | 97.2 | Very high | 95.2 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68 | -43.5 | 176.2 | -172.5 | 149.9 | 0 | 0 | 0 | 111.4 | E66 L67 K68 L72 R73 D74 | E66-L70 WeakPolarHBondContact O-CB 3.35Å; E66-L70 PolarHBondContact O-N 3.36Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.16Å; K68-L70 VanDerWaalsContact C-N 3.33Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.01Å; L70-R73 WeakPolarHBondContact O-CB 3.39Å; L70-R73 PolarHBondContact O-N 3.33Å; L70-R73 VanDerWaalsContact O-N 3.13Å; L70-D74 VanDerWaalsContact CD2-OD2 3.29Å; L70-D74 WeakPolarHBondContact CD2-OD2 3.26Å; L70-D74 PolarHBondContact O-N 3.27Å |
| 71 | E | 96.6 | Very high | 95.5 | Very high | 126 Ų | 126 | 74.1 Ų | 74.1 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.2 | -41.5 | 174.8 | -73 | 171.7 | -177.4 | 0 | 0 | 112.2 | L67 K68 L75 | L67-E71 WeakPolarHBondContact O-CG 3.39Å; L67-E71 PolarHBondContact O-N 3.34Å; K68-E71 PolarHBondContact O-N 3.05Å; E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 PolarHBondContact O-N 3.27Å |
| 72 | L | 96.8 | Very high | 95.7 | Very high | 46 Ų | 46 | 75.5 Ų | 75.5 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.5 | 177.9 | 63.4 | 0 | 0 | 0 | 111.5 | K68 L70 L75 M76 V90 Y93 | K68-L72 PolarHBondContact O-N 3.49Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 3.29Å; L72-M76 HydrophobicContact CD1-CG 4.36Å; L72-M76 HydrophobicContact CD1-SD 4.42Å; L72-M76 HydrophobicContact CG-SD 4.43Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 2.91Å; L72-V90 HydrophobicContact CD2-CG2 4.28Å; L72-V90 HydrophobicContact CG-CG2 4.35Å; L72-Y93 HydrophobicContact CB-CD1 4.21Å; L72-Y93 HydrophobicContact CB-CE1 4.34Å; L72-Y93 HydrophobicContact CD2-CD1 3.53Å; L72-Y93 HydrophobicContact CD2-CD2 4.4Å; L72-Y93 HydrophobicContact CD2-CE1 4.27Å; L72-Y93 HydrophobicContact CD2-CG 3.6Å |
| 73 | R | 96.7 | Very high | 95.8 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.2 | -53.8 | 176.5 | -176.8 | -175.9 | -177.4 | 170 | 12.6 | 110.8 | C69 L70 L75 M76 E77 E83 I86 V90 | C69-R73 PolarHBondContact O-N 2.94Å; C69-R73 VanDerWaalsContact O-N 3.09Å; L70-R73 WeakPolarHBondContact O-CB 3.39Å; L70-R73 PolarHBondContact O-N 3.33Å; L70-R73 VanDerWaalsContact O-N 3.13Å; R73-L75 PolarHBondContact O-N 3.21Å; R73-M76 PolarHBondContact O-N 3.21Å; R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.4Å; R73-E77 IonicContact CZ-OE1 3.97Å; R73-E77 IonicContact NE-OE1 2.73Å; R73-E77 PolarHBondContact NE-OE1 2.78Å; R73-E77 IonicContact NH2-OE1 2.96Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3Å; R73-E83 IonicContact CZ-OE1 3.66Å; R73-E83 IonicContact NH2-OE1 3.33Å; R73-E83 PolarHBondContact NH2-OE1 2.88Å; R73-I86 HydrophobicContact CB-CG2 4.45Å; R73-I86 HydrophobicContact CG-CG2 3.8Å; R73-V90 HydrophobicContact CB-CG2 4.03Å |
| 74 | D | 97.2 | Very high | 95.9 | Very high | 88 Ų | 88 | 75.1 Ų | 75.1 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | -179.6 | -71 | -2.4 | 0 | 0 | 0 | 111.6 | L70 G78 | L70-D74 VanDerWaalsContact CD2-OD2 3.29Å; L70-D74 WeakPolarHBondContact CD2-OD2 3.26Å; L70-D74 PolarHBondContact O-N 3.27Å; D74-G78 PolarHBondContact O-N 2.73Å |
| 75 | L | 96.9 | Very high | 96.1 | Very high | 96 Ų | 96 | 77.7 Ų | 77.7 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.5 | -179 | 142.7 | 0 | 0 | 0 | 112.1 | E71 L72 R73 G78 Q79 | E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 PolarHBondContact O-N 3.27Å; L72-L75 PolarHBondContact O-N 3.29Å; R73-L75 PolarHBondContact O-N 3.21Å; L75-G78 PolarHBondContact O-N 3.04Å; L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.22Å; L75-Q79 PolarHBondContact O-N 3.08Å; L75-Q79 VanDerWaalsContact O-N 3.12Å |
| 76 | M | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.2 | -37.7 | 178.9 | -69.9 | -173.9 | 63.6 | 0 | 0 | 112.7 | L72 R73 G78 Q79 G80 Y81 I86 K89 | L72-M76 HydrophobicContact CD1-CG 4.36Å; L72-M76 HydrophobicContact CD1-SD 4.42Å; L72-M76 HydrophobicContact CG-SD 4.43Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 2.91Å; R73-M76 PolarHBondContact O-N 3.21Å; M76-G78 VanDerWaalsContact C-N 3.34Å; M76-Q79 PolarHBondContact O-N 2.84Å; M76-G80 PolarHBondContact O-N 3.38Å; M76-G80 VanDerWaalsContact O-N 3.1Å; M76-Y81 HydrophobicContact CB-CD2 4.01Å; M76-Y81 HydrophobicContact CB-CG 4.48Å; M76-Y81 HydrophobicContact CE-CD1 4.11Å; M76-Y81 HydrophobicContact CE-CD2 4.08Å; M76-Y81 HydrophobicContact CE-CG 3.73Å; M76-Y81 HydrophobicContact CG-CD2 4.26Å; M76-Y81 WeakPolarHBondContact O-CD2 3.43Å; M76-Y81 PolarHBondContact O-N 3.33Å; M76-I86 HydrophobicContact CB-CD1 4.3Å; M76-I86 HydrophobicContact CB-CG1 3.82Å; M76-I86 HydrophobicContact CE-CB 4.3Å; M76-I86 HydrophobicContact CE-CG1 3.77Å; M76-I86 HydrophobicContact SD-CG1 4.43Å; M76-K89 HydrophobicContact CE-CB 4.26Å; M76-K89 HydrophobicContact CE-CD 3.56Å; M76-K89 HydrophobicContact CE-CG 4.28Å; M76-K89 HydrophobicContact SD-CB 3.86Å; M76-K89 HydrophobicContact SD-CD 3.86Å; M76-K89 HydrophobicContact SD-CG 4.42Å |
| 77 | E | 95.7 | Very high | 96.2 | Very high | 86 Ų | 86 | 79.9 Ų | 79.9 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 172.5 | -72.9 | -178.3 | -171.9 | 0 | 0 | 110.7 | R73 Q79 G80 I86 | R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.4Å; R73-E77 IonicContact CZ-OE1 3.97Å; R73-E77 IonicContact NE-OE1 2.73Å; R73-E77 PolarHBondContact NE-OE1 2.78Å; R73-E77 IonicContact NH2-OE1 2.96Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3Å; E77-Q79 PolarHBondContact O-N 3.26Å; E77-G80 PolarHBondContact O-N 3.2Å; E77-I86 HydrophobicContact CG-CD1 3.79Å |
| 78 | G | 96.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 83 Ų | 83 | 74% | 0.742 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -25.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D74 L75 M76 | D74-G78 PolarHBondContact O-N 2.73Å; L75-G78 PolarHBondContact O-N 3.04Å; M76-G78 VanDerWaalsContact C-N 3.34Å |
| 79 | Q | 96.2 | Very high | 96.4 | Very high | 120 Ų | 120 | 83.9 Ų | 83.9 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -86.9 | -10.1 | 174.4 | -72.6 | 174 | -16.3 | 0 | 0 | 113.3 | L75 M76 E77 Y81 | L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.22Å; L75-Q79 PolarHBondContact O-N 3.08Å; L75-Q79 VanDerWaalsContact O-N 3.12Å; M76-Q79 PolarHBondContact O-N 2.84Å; E77-Q79 PolarHBondContact O-N 3.26Å; Q79-Y81 HydrophobicContact CB-CD2 3.76Å; Q79-Y81 HydrophobicContact CB-CE2 3.68Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.26Å |
| 80 | G | 95 | Very high | 96.5 | Very high | 65 Ų | 65 | 84.3 Ų | 84.3 | 67% | 0.67 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 29.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M76 E77 | M76-G80 PolarHBondContact O-N 3.38Å; M76-G80 VanDerWaalsContact O-N 3.1Å; E77-G80 PolarHBondContact O-N 3.2Å |
| 81 | Y | 96 | Very high | 96.5 | Very high | 99 Ų | 99 | 82.3 Ų | 82.3 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | trans | -67.2 | 151.7 | 171.2 | -75.9 | -85.9 | 0 | 0 | 0 | 111.4 | M76 Q79 E85 I86 | M76-Y81 HydrophobicContact CB-CD2 4.01Å; M76-Y81 HydrophobicContact CB-CG 4.48Å; M76-Y81 HydrophobicContact CE-CD1 4.11Å; M76-Y81 HydrophobicContact CE-CD2 4.08Å; M76-Y81 HydrophobicContact CE-CG 3.73Å; M76-Y81 HydrophobicContact CG-CD2 4.26Å; M76-Y81 WeakPolarHBondContact O-CD2 3.43Å; M76-Y81 PolarHBondContact O-N 3.33Å; Q79-Y81 HydrophobicContact CB-CD2 3.76Å; Q79-Y81 HydrophobicContact CB-CE2 3.68Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.26Å; Y81-E85 WeakPolarHBondContact CD1-OE2 3.41Å; Y81-I86 WeakPolarHBondContact O-CD1 3.26Å | ||
| 82 | P | 96.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 81.7 Ų | 81.7 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | trans | -68.7 | 146.9 | 173.3 | 29.8 | -34.2 | 0 | 0 | 0 | 111.1 | E84 E85 I86 | P82-E84 PolarHBondContact O-N 3.02Å; P82-E85 HydrophobicContact CG-CB 3.93Å; P82-E85 HydrophobicContact CG-CG 3.69Å; P82-E85 PolarHBondContact O-N 3.45Å; P82-E85 VanDerWaalsContact O-N 3.08Å; P82-I86 WeakPolarHBondContact O-CG1 3.09Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.13Å | ||
| 83 | E | 95.4 | Very high | 96.5 | Very high | 103 Ų | 103 | 83.1 Ų | 83.1 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.2 | -37.3 | -176 | -169.2 | 67.8 | -170.2 | 0 | 0 | 112.8 | R73 E85 I86 E87 | R73-E83 IonicContact CZ-OE1 3.66Å; R73-E83 IonicContact NH2-OE1 3.33Å; R73-E83 PolarHBondContact NH2-OE1 2.88Å; E83-E85 PolarHBondContact O-N 3.46Å; E83-I86 WeakPolarHBondContact O-CB 2.79Å; E83-I86 PolarHBondContact O-N 3.23Å; E83-E87 PolarHBondContact O-N 3.1Å |
| 84 | E | 96 | Very high | 96.5 | Very high | 158 Ų | 158 | 81.9 Ų | 81.9 | 74% | 0.738 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 178.4 | -62.9 | 178.2 | 179.3 | 0 | 0 | 111.7 | P82 I86 E87 E88 | P82-E84 PolarHBondContact O-N 3.02Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.44Å; E84-E87 PolarHBondContact O-N 3.2Å; E84-E88 WeakPolarHBondContact O-CG 3.47Å; E84-E88 PolarHBondContact O-N 3.27Å; E84-E88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 95.8 | Very high | 96.5 | Very high | 81 Ų | 81 | 84 Ų | 84 | 38% | 0.379 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.6 | -33.2 | 177 | -74.2 | -174.5 | -146.9 | 0 | 0 | 112.4 | Y81 P82 E83 K89 | Y81-E85 WeakPolarHBondContact CD1-OE2 3.41Å; P82-E85 HydrophobicContact CG-CB 3.93Å; P82-E85 HydrophobicContact CG-CG 3.69Å; P82-E85 PolarHBondContact O-N 3.45Å; P82-E85 VanDerWaalsContact O-N 3.08Å; E83-E85 PolarHBondContact O-N 3.46Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.19Å; E85-K89 IonicContact OE2-NZ 2.78Å; E85-K89 PolarHBondContact OE2-NZ 3.36Å |
| 86 | I | 96.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 83.3 Ų | 83.3 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.7 | -49.7 | 176.7 | -65.1 | 170.4 | 0 | 0 | 0 | 109.3 | R73 M76 E77 Y81 P82 E83 E84 E88 K89 V90 | R73-I86 HydrophobicContact CB-CG2 4.45Å; R73-I86 HydrophobicContact CG-CG2 3.8Å; M76-I86 HydrophobicContact CB-CD1 4.3Å; M76-I86 HydrophobicContact CB-CG1 3.82Å; M76-I86 HydrophobicContact CE-CB 4.3Å; M76-I86 HydrophobicContact CE-CG1 3.77Å; M76-I86 HydrophobicContact SD-CG1 4.43Å; E77-I86 HydrophobicContact CG-CD1 3.79Å; Y81-I86 WeakPolarHBondContact O-CD1 3.26Å; P82-I86 WeakPolarHBondContact O-CG1 3.09Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.13Å; E83-I86 WeakPolarHBondContact O-CB 2.79Å; E83-I86 PolarHBondContact O-N 3.23Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.44Å; I86-E88 PolarHBondContact O-N 3.27Å; I86-K89 PolarHBondContact O-N 3.49Å; I86-V90 HydrophobicContact CG2-CG2 4.17Å; I86-V90 VanDerWaalsContact O-CB 3.31Å; I86-V90 WeakPolarHBondContact O-CB 3.16Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 3.01Å |
| 87 | E | 97 | Very high | 96.4 | Very high | 130 Ų | 130 | 83.1 Ų | 83.1 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | -180 | -173.6 | 169.9 | -163.8 | 0 | 0 | 111.8 | E83 E84 V90 T91 | E83-E87 PolarHBondContact O-N 3.1Å; E84-E87 PolarHBondContact O-N 3.2Å; E87-V90 PolarHBondContact O-N 3.33Å; E87-T91 HydrophobicContact CG-CG2 4.25Å; E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 2.86Å; E87-T91 PolarHBondContact O-OG1 3.23Å |
| 88 | E | 97.1 | Very high | 96.4 | Very high | 130 Ų | 130 | 83 Ų | 83 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.1 | -48.3 | 176.1 | -74 | -176.4 | 177.9 | 0 | 0 | 112.1 | E84 I86 T91 L92 | E84-E88 WeakPolarHBondContact O-CG 3.47Å; E84-E88 PolarHBondContact O-N 3.27Å; E84-E88 VanDerWaalsContact O-N 3.1Å; I86-E88 PolarHBondContact O-N 3.27Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.37Å; E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 2.93Å; E88-L92 PolarHBondContact O-N 3.38Å |
| 89 | K | 96.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 85.3 Ų | 85.3 | 37% | 0.365 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | -179.1 | -70 | -174.3 | -153.3 | 154.5 | 0 | 111.9 | M76 E85 I86 L92 Y93 | M76-K89 HydrophobicContact CE-CB 4.26Å; M76-K89 HydrophobicContact CE-CD 3.56Å; M76-K89 HydrophobicContact CE-CG 4.28Å; M76-K89 HydrophobicContact SD-CB 3.86Å; M76-K89 HydrophobicContact SD-CD 3.86Å; M76-K89 HydrophobicContact SD-CG 4.42Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.19Å; E85-K89 IonicContact OE2-NZ 2.78Å; E85-K89 PolarHBondContact OE2-NZ 3.36Å; I86-K89 PolarHBondContact O-N 3.49Å; K89-L92 PolarHBondContact O-N 2.9Å; K89-Y93 VanDerWaalsContact O-CB 3.22Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 PolarHBondContact O-N 3.21Å |
| 90 | V | 97.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 83.4 Ų | 83.4 | 8% | 0.079 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | C69 L72 R73 I86 E87 Y93 R94 | C69-V90 HydrophobicContact CB-CG1 4.11Å; L72-V90 HydrophobicContact CD2-CG2 4.28Å; L72-V90 HydrophobicContact CG-CG2 4.35Å; R73-V90 HydrophobicContact CB-CG2 4.03Å; I86-V90 HydrophobicContact CG2-CG2 4.17Å; I86-V90 VanDerWaalsContact O-CB 3.31Å; I86-V90 WeakPolarHBondContact O-CB 3.16Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 3.01Å; E87-V90 PolarHBondContact O-N 3.33Å; V90-Y93 PolarHBondContact O-N 2.74Å; V90-R94 WeakPolarHBondContact O-CB 3.18Å; V90-R94 PolarHBondContact O-N 3.1Å |
| 91 | T | 97.4 | Very high | 96.2 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -40.8 | 177.4 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | E87 E88 R94 K95 | E87-T91 HydrophobicContact CG-CG2 4.25Å; E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 2.86Å; E87-T91 PolarHBondContact O-OG1 3.23Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.37Å; T91-R94 PolarHBondContact O-N 3.09Å; T91-K95 PolarHBondContact O-N 2.87Å |
| 92 | L | 97.2 | Very high | 96 | Very high | 113 Ų | 113 | 80.8 Ų | 80.8 | 59% | 0.592 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 172.1 | -71 | 174.8 | 0 | 0 | 0 | 111.4 | E88 K89 R94 K95 L96 | E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 2.93Å; E88-L92 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 2.9Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.21Å; L92-K95 PolarHBondContact O-N 2.97Å; L92-L96 PolarHBondContact O-N 3.33Å |
| 93 | Y | 97 | Very high | 95.8 | Very high | 75 Ų | 75 | 84.6 Ų | 84.6 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 178.5 | -171.9 | -121.7 | 0 | 0 | 0 | 112.2 | K68 L72 K89 V90 K95 L96 L97 | K68-Y93 HydrophobicContact CB-CE1 3.96Å; L72-Y93 HydrophobicContact CB-CD1 4.21Å; L72-Y93 HydrophobicContact CB-CE1 4.34Å; L72-Y93 HydrophobicContact CD2-CD1 3.53Å; L72-Y93 HydrophobicContact CD2-CD2 4.4Å; L72-Y93 HydrophobicContact CD2-CE1 4.27Å; L72-Y93 HydrophobicContact CD2-CG 3.6Å; K89-Y93 VanDerWaalsContact O-CB 3.22Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 PolarHBondContact O-N 3.21Å; V90-Y93 PolarHBondContact O-N 2.74Å; Y93-K95 PolarHBondContact O-N 3.27Å; Y93-L96 HydrophobicContact CD2-CD2 4.33Å; Y93-L96 PolarHBondContact O-N 2.95Å; Y93-L97 HydrophobicContact CD1-CD1 3.84Å; Y93-L97 HydrophobicContact CD1-CG 4.39Å; Y93-L97 HydrophobicContact CD2-CG 4.49Å; Y93-L97 HydrophobicContact CE1-CD1 3.45Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.45Å; Y93-L97 HydrophobicContact CE1-CG 4.12Å; Y93-L97 HydrophobicContact CE2-CD1 4.42Å; Y93-L97 HydrophobicContact CE2-CD2 4.26Å; Y93-L97 HydrophobicContact CE2-CG 4.2Å; Y93-L97 HydrophobicContact CG-CD1 4.48Å; Y93-L97 WeakPolarHBondContact O-CG 3.44Å; Y93-L97 PolarHBondContact O-N 3.5Å |
| 94 | R | 97.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 83.8 Ų | 83.8 | 30% | 0.302 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.7 | -172.7 | -176.7 | -71 | 112.1 | 1 | 111.6 | E66 V90 T91 L92 L97 L98 | E66-R94 IonicContact OE1-NE 3.43Å; E66-R94 PolarHBondContact OE1-NE 2.84Å; E66-R94 IonicContact OE2-CZ 3.04Å; E66-R94 IonicContact OE2-NE 3.55Å; E66-R94 PolarHBondContact OE2-NE 2.76Å; E66-R94 IonicContact OE2-NH2 3.46Å; E66-R94 PolarHBondContact OE2-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CB 3.18Å; V90-R94 PolarHBondContact O-N 3.1Å; T91-R94 PolarHBondContact O-N 3.09Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.21Å; R94-L97 PolarHBondContact O-N 3.15Å; R94-L98 HydrophobicContact CG-CD1 4.2Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.33Å; R94-L98 PolarHBondContact O-N 2.73Å |
| 95 | K | 97.2 | Very high | 95.1 | Very high | 134 Ų | 134 | 78.8 Ų | 78.8 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | 177.1 | -70.9 | 177.9 | -177.5 | 176.4 | 0 | 111.5 | T91 L92 Y93 L97 L98 E99 | T91-K95 PolarHBondContact O-N 2.87Å; L92-K95 PolarHBondContact O-N 2.97Å; Y93-K95 PolarHBondContact O-N 3.27Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.47Å; K95-L98 PolarHBondContact O-N 3.46Å; K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 2.94Å |
| 96 | L | 96.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 77.6 Ų | 77.6 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -57.2 | -46.2 | 177 | -178.3 | 72.5 | 0 | 0 | 0 | 111.9 | L92 Y93 L98 E99 Q100 | L92-L96 PolarHBondContact O-N 3.33Å; Y93-L96 HydrophobicContact CD2-CD2 4.33Å; Y93-L96 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.8Å; L96-E99 PolarHBondContact O-N 3.44Å; L96-Q100 WeakPolarHBondContact O-CG 3.34Å; L96-Q100 PolarHBondContact O-N 2.81Å |
| 97 | L | 95.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.7 | -34 | 179.6 | -71.6 | -179.7 | 0 | 0 | 0 | 112.7 | V65 K68 Y93 R94 K95 L101 F108 | V65-L97 HydrophobicContact CG1-CB 3.76Å; V65-L97 HydrophobicContact CG1-CD1 4.14Å; V65-L97 HydrophobicContact CG2-CB 4.29Å; K68-L97 HydrophobicContact CB-CD1 3.62Å; K68-L97 HydrophobicContact CD-CD1 3.95Å; K68-L97 HydrophobicContact CD-CD2 3.92Å; K68-L97 HydrophobicContact CG-CD1 4.44Å; Y93-L97 HydrophobicContact CD1-CD1 3.84Å; Y93-L97 HydrophobicContact CD1-CG 4.39Å; Y93-L97 HydrophobicContact CD2-CG 4.49Å; Y93-L97 HydrophobicContact CE1-CD1 3.45Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.45Å; Y93-L97 HydrophobicContact CE1-CG 4.12Å; Y93-L97 HydrophobicContact CE2-CD1 4.42Å; Y93-L97 HydrophobicContact CE2-CD2 4.26Å; Y93-L97 HydrophobicContact CE2-CG 4.2Å; Y93-L97 HydrophobicContact CG-CD1 4.48Å; Y93-L97 WeakPolarHBondContact O-CG 3.44Å; Y93-L97 PolarHBondContact O-N 3.5Å; R94-L97 PolarHBondContact O-N 3.15Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.47Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-F108 HydrophobicContact CB-CE1 4.45Å; L97-F108 HydrophobicContact CB-CZ 4.33Å; L97-F108 HydrophobicContact CD2-CE1 4.08Å; L97-F108 HydrophobicContact CD2-CZ 3.98Å; L97-F108 WeakPolarHBondContact O-CZ 3.31Å |
| 98 | L | 95.3 | Very high | 93 | Very high | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 174.7 | -73 | 173.8 | 0 | 0 | 0 | 112 | V65 R94 K95 L96 L101 A102 | V65-L98 HydrophobicContact CG1-CD2 4.29Å; V65-L98 HydrophobicContact CG1-CG 4.4Å; R94-L98 HydrophobicContact CG-CD1 4.2Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.33Å; R94-L98 PolarHBondContact O-N 2.73Å; K95-L98 PolarHBondContact O-N 3.46Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.8Å; L98-L101 PolarHBondContact O-N 3.37Å; L98-A102 PolarHBondContact O-N 3.25Å |
| 99 | E | 95.6 | Very high | 91.9 | Very high | 120 Ų | 120 | 71.1 Ų | 71.1 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.3 | -47.4 | 172.4 | -71.6 | 170.6 | -173.9 | 0 | 0 | 110.8 | K95 L96 L101 A102 E103 | K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 2.94Å; L96-E99 PolarHBondContact O-N 3.44Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-A102 VanDerWaalsContact O-N 3.09Å; E99-E103 PolarHBondContact O-N 3.45Å |
| 100 | Q | 94.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 68.8 Ų | 68.8 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 174.4 | -73 | 178.4 | -7.3 | 0 | 0 | 112.6 | L96 A102 E103 N104 F108 | L96-Q100 WeakPolarHBondContact O-CG 3.34Å; L96-Q100 PolarHBondContact O-N 2.81Å; Q100-A102 VanDerWaalsContact C-N 3.29Å; Q100-A102 PolarHBondContact O-N 3.33Å; Q100-E103 PolarHBondContact O-N 3.44Å; Q100-N104 PolarHBondContact O-N 3.32Å; Q100-F108 HydrophobicContact CB-CE2 3.99Å; Q100-F108 HydrophobicContact CB-CZ 4.11Å |
| 101 | L | 93 | Very high | 89.7 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 176.9 | 177.2 | 64.4 | 0 | 0 | 0 | 111.7 | R61 V65 L97 L98 E99 P105 F108 | R61-L101 HydrophobicContact CB-CD1 3.74Å; R61-L101 HydrophobicContact CB-CD2 4.36Å; R61-L101 HydrophobicContact CG-CD1 4.09Å; V65-L101 HydrophobicContact CG2-CB 4.46Å; V65-L101 HydrophobicContact CG2-CD2 4.04Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 2.83Å; L98-L101 PolarHBondContact O-N 3.37Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; L101-P105 HydrophobicContact CD1-CB 4.42Å; L101-F108 HydrophobicContact CB-CD2 4.07Å; L101-F108 HydrophobicContact CB-CE2 3.87Å; L101-F108 HydrophobicContact CB-CZ 4.33Å; L101-F108 HydrophobicContact CD1-CB 3.95Å; L101-F108 HydrophobicContact CD1-CD2 3.64Å; L101-F108 HydrophobicContact CD1-CE2 4.33Å; L101-F108 HydrophobicContact CD1-CG 3.86Å; L101-F108 HydrophobicContact CG-CD2 4.48Å |
| 102 | A | 92.6 | Very high | 88.8 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 70% | 0.702 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.8 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L98 E99 Q100 | L98-A102 PolarHBondContact O-N 3.25Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-A102 VanDerWaalsContact O-N 3.09Å; Q100-A102 VanDerWaalsContact C-N 3.29Å; Q100-A102 PolarHBondContact O-N 3.33Å |
| 103 | E | 92.8 | Very high | 88 | Confident | 145 Ų | 145 | 75.2 Ų | 75.2 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -75.4 | -49.2 | 177.2 | -67.9 | -179.4 | 176 | 0 | 0 | 112.5 | E99 Q100 | E99-E103 PolarHBondContact O-N 3.45Å; Q100-E103 PolarHBondContact O-N 3.44Å |
| 104 | N | 89 | Confident | 87.3 | Confident | 86 Ų | 86 | 77 Ų | 77 | 46% | 0.46 | 41% | 0.405 | S | S | . | . | trans | -135 | 80.6 | -171.9 | -67.3 | -58.2 | 0 | 0 | 0 | 111.5 | Q100 A106 D107 | Q100-N104 PolarHBondContact O-N 3.32Å; N104-A106 PolarHBondContact O-N 2.79Å; N104-A106 VanDerWaalsContact O-N 3.15Å; N104-D107 PolarHBondContact O-N 3.5Å | ||
| 105 | P | 85.8 | Confident | 86.7 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 34% | 0.338 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.8 | -179.8 | 25.2 | -34.4 | 0 | 0 | 0 | 113.9 | L101 V109 | L101-P105 HydrophobicContact CD1-CB 4.42Å; P105-V109 WeakPolarHBondContact O-CG2 3.39Å |
| 106 | A | 80.7 | Confident | 85.9 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -32.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N104 F108 V109 I110 | N104-A106 PolarHBondContact O-N 2.79Å; N104-A106 VanDerWaalsContact O-N 3.15Å; A106-F108 PolarHBondContact O-N 3.42Å; A106-V109 PolarHBondContact O-N 2.92Å; A106-I110 PolarHBondContact O-N 3.18Å |
| 107 | D | 81.6 | Confident | 85 | Confident | 117 Ų | 117 | 79.8 Ų | 79.8 | 63% | 0.626 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.1 | -177.4 | -68.7 | -6.9 | 0 | 0 | 0 | 112.1 | N104 V109 | N104-D107 PolarHBondContact O-N 3.5Å; D107-V109 VanDerWaalsContact C-N 3.33Å |
| 108 | F | 83 | Confident | 84 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.018 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 8.6 | 175.7 | -65.8 | -92.5 | 0 | 0 | 0 | 112.8 | R61 K64 V65 K68 L97 Q100 L101 A106 | R61-F108 HydrophobicContact CG-CB 4.4Å; K64-F108 HydrophobicContact CB-CD1 4.36Å; K64-F108 WeakPolarHBondContact CD-O 3.34Å; V65-F108 HydrophobicContact CG2-CD1 3.85Å; V65-F108 HydrophobicContact CG2-CE1 3.59Å; V65-F108 HydrophobicContact CG2-CZ 4.26Å; K68-F108 HydrophobicContact CD-CE1 4.29Å; L97-F108 HydrophobicContact CB-CE1 4.45Å; L97-F108 HydrophobicContact CB-CZ 4.33Å; L97-F108 HydrophobicContact CD2-CE1 4.08Å; L97-F108 HydrophobicContact CD2-CZ 3.98Å; L97-F108 WeakPolarHBondContact O-CZ 3.31Å; Q100-F108 HydrophobicContact CB-CE2 3.99Å; Q100-F108 HydrophobicContact CB-CZ 4.11Å; L101-F108 HydrophobicContact CB-CD2 4.07Å; L101-F108 HydrophobicContact CB-CE2 3.87Å; L101-F108 HydrophobicContact CB-CZ 4.33Å; L101-F108 HydrophobicContact CD1-CB 3.95Å; L101-F108 HydrophobicContact CD1-CD2 3.64Å; L101-F108 HydrophobicContact CD1-CE2 4.33Å; L101-F108 HydrophobicContact CD1-CG 3.86Å; L101-F108 HydrophobicContact CG-CD2 4.48Å; A106-F108 PolarHBondContact O-N 3.42Å |
| 109 | V | 74.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 80.7 Ų | 80.7 | 5% | 0.048 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -44.6 | -179 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | R61 K64 P105 A106 D107 H125 | R61-V109 HydrophobicContact CG-CG2 3.82Å; K64-V109 PolarHBondContact NZ-O 3.05Å; P105-V109 WeakPolarHBondContact O-CG2 3.39Å; A106-V109 PolarHBondContact O-N 2.92Å; D107-V109 VanDerWaalsContact C-N 3.33Å; V109-H125 HydrophobicContact CG1-CB 4.18Å; V109-H125 WeakPolarHBondContact CG1-CD2 3.39Å |
| 110 | I | 72.4 | Confident | 81.9 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 17% | 0.174 | 42% | 0.423 | C | S | . | . | trans | -100 | 112.6 | -166.2 | -48.5 | 177 | 0 | 0 | 0 | 110.4 | A106 Y112 A118 Y120 L129 | A106-I110 PolarHBondContact O-N 3.18Å; I110-Y112 HydrophobicContact CB-CE2 3.92Å; I110-Y112 HydrophobicContact CG2-CD1 4.28Å; I110-Y112 HydrophobicContact CG2-CD2 4.03Å; I110-Y112 HydrophobicContact CG2-CE1 3.8Å; I110-Y112 HydrophobicContact CG2-CE2 3.51Å; I110-Y112 HydrophobicContact CG2-CG 4.4Å; I110-A118 HydrophobicContact CG2-CB 3.49Å; I110-A118 VanDerWaalsContact CG2-CB 3.49Å; I110-Y120 HydrophobicContact CG2-CE1 4.27Å; I110-L129 HydrophobicContact CD1-CD1 4.06Å; I110-L129 HydrophobicContact CD1-CD2 4.17Å; I110-L129 HydrophobicContact CG1-CD1 4.09Å | ||
| 111 | E | 75.7 | Confident | 80.7 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 139 | 163.1 | -77.2 | 160.4 | -138.4 | 0 | 0 | 108.5 | K64 A118 V119 | K64-E111 WeakPolarHBondContact CE-OE1 3.15Å; K64-E111 IonicContact NZ-OE1 2.74Å; K64-E111 PolarHBondContact NZ-OE1 2.79Å; E111-A118 CarbonylContact O-C 3.49Å; E111-A118 WeakPolarHBondContact O-CA 3.38Å; E111-V119 PolarHBondContact O-N 3.37Å |
| 112 | Y | 77.5 | Confident | 80.1 | Confident | 151 Ų | 151 | 79.4 Ų | 79.4 | 59% | 0.592 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.5 | 176.1 | -65.3 | -89 | 0 | 0 | 0 | 109 | I110 R117 A118 | I110-Y112 HydrophobicContact CB-CE2 3.92Å; I110-Y112 HydrophobicContact CG2-CD1 4.28Å; I110-Y112 HydrophobicContact CG2-CD2 4.03Å; I110-Y112 HydrophobicContact CG2-CE1 3.8Å; I110-Y112 HydrophobicContact CG2-CE2 3.51Å; I110-Y112 HydrophobicContact CG2-CG 4.4Å; Y112-R117 WeakPolarHBondContact CA-O 3.29Å; Y112-A118 HydrophobicContact CD1-CB 4.28Å; Y112-A118 HydrophobicContact CE1-CB 4.11Å |
| 113 | D | 81.1 | Confident | 79.7 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | trans | -59.8 | 161.4 | 168.8 | -176.6 | 12.9 | 0 | 0 | 0 | 109.6 | K115 G116 R117 V119 | D113-K115 PolarHBondContact O-N 2.98Å; D113-G116 WeakPolarHBondContact O-CA 3.14Å; D113-G116 PolarHBondContact O-N 3.03Å; D113-R117 HydrophobicContact CB-CB 4.46Å; D113-R117 PolarHBondContact N-O 3.33Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 3.83Å; D113-R117 IonicContact OD2-NH2 3.08Å; D113-R117 PolarHBondContact OD2-NH2 2.9Å; D113-V119 HydrophobicContact CB-CG2 3.71Å | ||
| 114 | S | 83.1 | Confident | 79.5 | Confident | 114 Ų | 114 | 72.1 Ų | 72.1 | 80% | 0.797 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.6 | -25.2 | 168.5 | 58.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 115 | K | 84.2 | Confident | 79.2 | Confident | 154 Ų | 154 | 68.1 Ų | 68.1 | 67% | 0.67 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 10.3 | 177.5 | -57 | -171.6 | -175 | 178.3 | 0 | 114.3 | D113 R117 | D113-K115 PolarHBondContact O-N 2.98Å; K115-R117 HydrophobicContact CB-CG 4.49Å; K115-R117 PolarHBondContact O-N 2.9Å |
| 116 | G | 79.2 | Confident | 79.2 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 56% | 0.557 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 69 | 15.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D113 | D113-G116 WeakPolarHBondContact O-CA 3.14Å; D113-G116 PolarHBondContact O-N 3.03Å |
| 117 | R | 78.3 | Confident | 79.5 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -89 | 127.2 | 177.9 | -67.3 | 179.9 | -64.7 | 169.2 | 7.4 | 108.9 | Y112 D113 K115 V119 | Y112-R117 WeakPolarHBondContact CA-O 3.29Å; D113-R117 HydrophobicContact CB-CB 4.46Å; D113-R117 PolarHBondContact N-O 3.33Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 3.83Å; D113-R117 IonicContact OD2-NH2 3.08Å; D113-R117 PolarHBondContact OD2-NH2 2.9Å; K115-R117 HydrophobicContact CB-CG 4.49Å; K115-R117 PolarHBondContact O-N 2.9Å; R117-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact O-N 3.15Å |
| 118 | A | 74.1 | Confident | 79.7 | Confident | 33 Ų | 33 | 67.8 Ų | 67.8 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 116.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | I110 E111 Y112 Y120 | I110-A118 HydrophobicContact CG2-CB 3.49Å; I110-A118 VanDerWaalsContact CG2-CB 3.49Å; E111-A118 CarbonylContact O-C 3.49Å; E111-A118 WeakPolarHBondContact O-CA 3.38Å; Y112-A118 HydrophobicContact CD1-CB 4.28Å; Y112-A118 HydrophobicContact CE1-CB 4.11Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; A118-Y120 WeakPolarHBondContact CB-OH 3.21Å |
| 119 | V | 76.9 | Confident | 79.8 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.1 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 107 | E111 D113 R117 | E111-V119 PolarHBondContact O-N 3.37Å; D113-V119 HydrophobicContact CB-CG2 3.71Å; R117-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact O-N 3.15Å |
| 120 | Y | 70.5 | Confident | 80.4 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | trans | -113.9 | 123.3 | 178.7 | -51.8 | -65.6 | 0 | 0 | 0 | 108.1 | I110 A118 H125 K126 L129 | I110-Y120 HydrophobicContact CG2-CE1 4.27Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; A118-Y120 WeakPolarHBondContact CB-OH 3.21Å; Y120-H125 HydrophobicContact CD1-CB 4.49Å; Y120-K126 HydrophobicContact CD2-CB 4.41Å; Y120-K126 HydrophobicContact CD2-CG 4.49Å; Y120-K126 HydrophobicContact CG-CB 4.48Å; Y120-L129 HydrophobicContact CD1-CD1 4Å; Y120-L129 HydrophobicContact CE1-CD1 3.14Å; Y120-L129 HydrophobicContact CE1-CG 4.36Å; Y120-L129 WeakPolarHBondContact OH-CD1 3.3Å | ||
| 121 | A | 69.1 | Low | 81.1 | Confident | 99 Ų | 99 | 73.7 Ų | 73.7 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -72.5 | -37 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 122 | D | 80.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 24% | 0.235 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -117.9 | 150.2 | -170.9 | -173.9 | 41.3 | 0 | 0 | 0 | 114.9 | E60 H124 K126 | E60-D122 WeakPolarHBondContact OE1-CB 3.31Å; E60-D122 WeakPolarHBondContact OE2-CB 3.25Å; D122-H124 VanDerWaalsContact C-N 3.34Å; D122-H124 PolarHBondContact O-N 3.3Å; D122-H124 VanDerWaalsContact OD2-CB 3.26Å; D122-H124 WeakPolarHBondContact OD2-CB 3.47Å; D122-H124 IonicContact OD2-CD2 3.45Å; D122-H124 PolarHBondContact OD2-CD2 3.47Å; D122-H124 IonicContact OD2-CG 3.52Å; D122-H124 PolarHBondContact OD2-N 2.88Å; D122-K126 PolarHBondContact O-N 3.3Å |
| 123 | G | 84.6 | Confident | 82.3 | Confident | 43 Ų | 43 | 71.2 Ų | 71.2 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -33 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K126 T127 | G123-K126 PolarHBondContact O-N 3.38Å; G123-T127 PolarHBondContact O-N 2.69Å; G123-T127 PolarHBondContact O-OG1 3.01Å; G123-T127 VanDerWaalsContact O-OG1 3.1Å |
| 124 | H | 87.2 | Confident | 82.7 | Confident | 34 Ų | 34 | 73 Ų | 73 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | -179.4 | -69 | -76 | 0 | 0 | 0 | 112 | P52 N53 I56 L57 D122 T127 E128 | P52-H124 HydrophobicContact CB-CB 4.47Å; N53-H124 PolarHBondContact N-ND1 3.07Å; I56-H124 WeakPolarHBondContact CD1-NE2 3.37Å; I56-H124 HydrophobicContact CG2-CB 4.42Å; L57-H124 HydrophobicContact CD2-CB 4.08Å; D122-H124 VanDerWaalsContact C-N 3.34Å; D122-H124 PolarHBondContact O-N 3.3Å; D122-H124 VanDerWaalsContact OD2-CB 3.26Å; D122-H124 WeakPolarHBondContact OD2-CB 3.47Å; D122-H124 IonicContact OD2-CD2 3.45Å; D122-H124 PolarHBondContact OD2-CD2 3.47Å; D122-H124 IonicContact OD2-CG 3.52Å; D122-H124 PolarHBondContact OD2-N 2.88Å; H124-T127 PolarHBondContact O-N 3.29Å; H124-E128 PolarHBondContact O-N 3.34Å |
| 125 | H | 84.2 | Confident | 83 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 172.8 | -73.9 | 137.1 | 0 | 0 | 0 | 112.7 | L57 E60 V109 Y120 T127 E128 L129 | L57-H125 WeakPolarHBondContact CD2-CD2 3.3Å; L57-H125 WeakPolarHBondContact CD2-NE2 3.44Å; E60-H125 VanDerWaalsContact CB-CE1 3.41Å; E60-H125 WeakPolarHBondContact CB-CE1 3.43Å; E60-H125 VanDerWaalsContact CD-CE1 3.41Å; E60-H125 IonicContact OE2-CE1 2.71Å; E60-H125 PolarHBondContact OE2-CE1 2.92Å; E60-H125 IonicContact OE2-ND1 3.32Å; E60-H125 PolarHBondContact OE2-ND1 3.33Å; V109-H125 HydrophobicContact CG1-CB 4.18Å; V109-H125 WeakPolarHBondContact CG1-CD2 3.39Å; Y120-H125 HydrophobicContact CD1-CB 4.49Å; H125-T127 VanDerWaalsContact C-N 3.28Å; H125-T127 PolarHBondContact O-N 3.35Å; H125-E128 PolarHBondContact O-N 3.07Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 85.1 | Confident | 83.5 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 51% | 0.509 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 174.3 | -176.8 | 177.6 | 178.4 | 179.5 | 0 | 110.8 | Y120 D122 G123 M130 | Y120-K126 HydrophobicContact CD2-CB 4.41Å; Y120-K126 HydrophobicContact CD2-CG 4.49Å; Y120-K126 HydrophobicContact CG-CB 4.48Å; D122-K126 PolarHBondContact O-N 3.3Å; G123-K126 PolarHBondContact O-N 3.38Å; K126-M130 HydrophobicContact CG-CG 4.45Å; K126-M130 WeakPolarHBondContact O-CB 3.46Å; K126-M130 WeakPolarHBondContact O-CG 3.37Å; K126-M130 PolarHBondContact O-N 3.48Å |
| 127 | T | 86.1 | Confident | 84.1 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 178.4 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | K50 G123 H124 H125 L129 M130 N131 | K50-T127 WeakPolarHBondContact O-CG2 3.37Å; G123-T127 PolarHBondContact O-N 2.69Å; G123-T127 PolarHBondContact O-OG1 3.01Å; G123-T127 VanDerWaalsContact O-OG1 3.1Å; H124-T127 PolarHBondContact O-N 3.29Å; H125-T127 VanDerWaalsContact C-N 3.28Å; H125-T127 PolarHBondContact O-N 3.35Å; T127-L129 PolarHBondContact O-N 3.22Å; T127-M130 PolarHBondContact O-N 2.98Å; T127-N131 WeakPolarHBondContact O-CB 3.37Å; T127-N131 PolarHBondContact O-N 3.09Å; T127-N131 PolarHBondContact O-ND2 3.15Å |
| 128 | E | 87.2 | Confident | 84.7 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.6 | -49.6 | 176.9 | -174.9 | -179.2 | -151.6 | 0 | 0 | 111 | P52 L57 R61 H124 H125 M130 N131 E132 | P52-E128 HydrophobicContact CB-CB 4.21Å; P52-E128 HydrophobicContact CG-CB 4.22Å; L57-E128 HydrophobicContact CD1-CB 4.45Å; L57-E128 HydrophobicContact CD1-CG 4.35Å; R61-E128 IonicContact NH2-OE1 3.6Å; R61-E128 PolarHBondContact NH2-OE1 3.07Å; R61-E128 IonicContact NH2-OE2 3.81Å; H124-E128 PolarHBondContact O-N 3.34Å; H125-E128 PolarHBondContact O-N 3.07Å; E128-M130 PolarHBondContact O-N 3.21Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-E132 PolarHBondContact O-N 3.41Å |
| 129 | L | 85.3 | Confident | 85.6 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 176.9 | -94.6 | 136.6 | 0 | 0 | 0 | 113.9 | I110 Y120 H125 T127 N131 E132 K133 | I110-L129 HydrophobicContact CD1-CD1 4.06Å; I110-L129 HydrophobicContact CD1-CD2 4.17Å; I110-L129 HydrophobicContact CG1-CD1 4.09Å; Y120-L129 HydrophobicContact CD1-CD1 4Å; Y120-L129 HydrophobicContact CE1-CD1 3.14Å; Y120-L129 HydrophobicContact CE1-CG 4.36Å; Y120-L129 WeakPolarHBondContact OH-CD1 3.3Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.1Å; T127-L129 PolarHBondContact O-N 3.22Å; L129-N131 VanDerWaalsContact C-N 3.31Å; L129-E132 PolarHBondContact O-N 3.38Å; L129-K133 VanDerWaalsContact O-CB 3.31Å; L129-K133 WeakPolarHBondContact O-CB 3.49Å; L129-K133 VanDerWaalsContact O-CG 3.25Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.13Å |
| 130 | M | 86.8 | Confident | 86.5 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 38% | 0.384 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 173.6 | -71.5 | -60.9 | 171.9 | 0 | 0 | 110.8 | K126 T127 E128 K133 N134 | K126-M130 HydrophobicContact CG-CG 4.45Å; K126-M130 WeakPolarHBondContact O-CB 3.46Å; K126-M130 WeakPolarHBondContact O-CG 3.37Å; K126-M130 PolarHBondContact O-N 3.48Å; T127-M130 PolarHBondContact O-N 2.98Å; E128-M130 PolarHBondContact O-N 3.21Å; M130-K133 PolarHBondContact O-N 3Å; M130-K133 HydrophobicContact SD-CD 4.35Å; M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.26Å; M130-N134 PolarHBondContact O-OD1 3.44Å |
| 131 | N | 87.8 | Confident | 87.7 | Confident | 72 Ų | 72 | 78.6 Ų | 78.6 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 174.8 | -71.7 | -14.2 | 0 | 0 | 0 | 111.6 | T127 E128 L129 N134 A135 | T127-N131 WeakPolarHBondContact O-CB 3.37Å; T127-N131 PolarHBondContact O-N 3.09Å; T127-N131 PolarHBondContact O-ND2 3.15Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3.45Å; L129-N131 VanDerWaalsContact C-N 3.31Å; N131-N134 PolarHBondContact O-N 3.05Å; N131-A135 VanDerWaalsContact O-CB 3.29Å; N131-A135 WeakPolarHBondContact O-CB 3.26Å; N131-A135 PolarHBondContact O-N 3.04Å |
| 132 | E | 88.6 | Confident | 88.8 | Confident | 123 Ų | 123 | 83.1 Ų | 83.1 | 58% | 0.575 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.2 | -45.3 | 175.9 | -165.8 | -166.1 | 166.9 | 0 | 0 | 111.7 | E128 L129 N134 A135 R136 | E128-E132 PolarHBondContact O-N 3.41Å; L129-E132 PolarHBondContact O-N 3.38Å; E132-N134 PolarHBondContact O-N 3.12Å; E132-A135 PolarHBondContact O-N 3.41Å; E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 PolarHBondContact O-N 3.3Å |
| 133 | K | 89.1 | Confident | 89.3 | Confident | 82 Ų | 82 | 84 Ų | 84 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 173.8 | -77.7 | 173.2 | 179 | 170.7 | 0 | 111.5 | L129 M130 R136 L137 | L129-K133 VanDerWaalsContact O-CB 3.31Å; L129-K133 WeakPolarHBondContact O-CB 3.49Å; L129-K133 VanDerWaalsContact O-CG 3.25Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.13Å; M130-K133 PolarHBondContact O-N 3Å; M130-K133 HydrophobicContact SD-CD 4.35Å; K133-R136 PolarHBondContact O-N 2.82Å; K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 2.81Å |
| 134 | N | 89.1 | Confident | 89.6 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.1 | -72.2 | -13 | 0 | 0 | 0 | 111.3 | M130 N131 E132 L137 R138 | M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.26Å; M130-N134 PolarHBondContact O-OD1 3.44Å; N131-N134 PolarHBondContact O-N 3.05Å; E132-N134 PolarHBondContact O-N 3.12Å; N134-L137 PolarHBondContact O-N 3.21Å; N134-R138 VanDerWaalsContact O-CB 3.3Å; N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 3.03Å |
| 135 | A | 90.5 | Very high | 89.6 | Confident | 43 Ų | 43 | 90.2 Ų | 90.2 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N131 E132 R139 | N131-A135 VanDerWaalsContact O-CB 3.29Å; N131-A135 WeakPolarHBondContact O-CB 3.26Å; N131-A135 PolarHBondContact O-N 3.04Å; E132-A135 PolarHBondContact O-N 3.41Å; A135-R139 WeakPolarHBondContact O-CG 3.38Å; A135-R139 PolarHBondContact O-N 2.86Å; A135-R139 VanDerWaalsContact O-N 3.09Å; A135-R139 PolarHBondContact O-NE 2.74Å |
| 136 | R | 92.9 | Very high | 89.8 | Confident | 160 Ų | 160 | 96.9 Ų | 96.9 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 173.2 | -172.8 | 175.4 | 70.4 | 179.5 | 4.6 | 111.6 | E132 K133 R139 A140 | E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 PolarHBondContact O-N 3.3Å; K133-R136 PolarHBondContact O-N 2.82Å; R136-R139 PolarHBondContact O-N 3.37Å; R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.92Å |
| 137 | L | 92.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 97.1 Ų | 97.1 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.7 | -73 | 171.3 | 0 | 0 | 0 | 111.9 | K133 N134 R139 A140 L141 | K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 2.81Å; N134-L137 PolarHBondContact O-N 3.21Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.12Å; L137-A140 PolarHBondContact O-N 3.33Å; L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.85Å |
| 138 | R | 91.7 | Very high | 89.8 | Confident | 68 Ų | 68 | 99.2 Ų | 99.2 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 175.4 | -174.7 | -172.9 | 177.3 | 93.5 | -32.9 | 111.4 | N134 L141 K142 I143 S144 D145 | N134-R138 VanDerWaalsContact O-CB 3.3Å; N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 3.03Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-K142 PolarHBondContact O-N 3.18Å; R138-I143 HydrophobicContact CG-CB 3.81Å; R138-I143 HydrophobicContact CG-CG2 4.09Å; R138-I143 PolarHBondContact O-N 3.43Å; R138-S144 PolarHBondContact NH1-O 3.42Å; R138-S144 PolarHBondContact NH2-O 3.41Å; R138-D145 IonicContact CZ-OD1 3.58Å; R138-D145 IonicContact NE-OD1 2.98Å; R138-D145 PolarHBondContact NE-OD1 3.09Å; R138-D145 PolarHBondContact NH2-O 3.18Å; R138-D145 IonicContact NH2-OD1 3.18Å |
| 139 | R | 93.2 | Very high | 89.6 | Confident | 177 Ų | 177 | 101.3 Ų | 101.3 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -45.9 | 174.9 | -76.2 | -178.1 | -77.9 | 139.8 | -10.7 | 112.1 | A135 R136 L137 L141 K142 | A135-R139 WeakPolarHBondContact O-CG 3.38Å; A135-R139 PolarHBondContact O-N 2.86Å; A135-R139 VanDerWaalsContact O-N 3.09Å; A135-R139 PolarHBondContact O-NE 2.74Å; R136-R139 PolarHBondContact O-N 3.37Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.12Å; R139-L141 PolarHBondContact O-N 3.01Å; R139-K142 PolarHBondContact O-N 3.38Å |
| 140 | A | 95.6 | Very high | 89.4 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R136 L137 K142 | R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.92Å; L137-A140 PolarHBondContact O-N 3.33Å; A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.04Å |
| 141 | L | 94.8 | Very high | 89.2 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 3 | 179.7 | -66.7 | 175.3 | 0 | 0 | 0 | 113.7 | L137 R138 R139 I143 | L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.85Å; R138-L141 PolarHBondContact O-N 3.01Å; R139-L141 PolarHBondContact O-N 3.01Å; L141-I143 HydrophobicContact CB-CD1 3.92Å; L141-I143 HydrophobicContact CB-CG1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.07Å; L141-I143 PolarHBondContact O-N 3.48Å |
| 142 | K | 92.6 | Very high | 88.8 | Confident | 194 Ų | 194 | 100.9 Ų | 100.9 | 84% | 0.843 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 36 | -177.3 | -56 | -179.9 | 179.2 | 179.7 | 0 | 113 | R138 R139 A140 | R138-K142 PolarHBondContact O-N 3.18Å; R139-K142 PolarHBondContact O-N 3.38Å; A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.04Å |
| 143 | I | 90.6 | Very high | 88.5 | Confident | 62 Ų | 62 | 102 Ų | 102 | 32% | 0.318 | 54% | 0.542 | S | S | . | . | trans | -77.3 | 126.1 | 175.6 | -63.4 | 171.3 | 0 | 0 | 0 | 107.8 | R138 L141 Y147 | R138-I143 HydrophobicContact CG-CB 3.81Å; R138-I143 HydrophobicContact CG-CG2 4.09Å; R138-I143 PolarHBondContact O-N 3.43Å; L141-I143 HydrophobicContact CB-CD1 3.92Å; L141-I143 HydrophobicContact CB-CG1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.07Å; L141-I143 PolarHBondContact O-N 3.48Å; I143-Y147 HydrophobicContact CG2-CD1 3.97Å; I143-Y147 HydrophobicContact CG2-CD2 4.17Å; I143-Y147 HydrophobicContact CG2-CG 3.61Å | ||
| 144 | S | 90.3 | Very high | 87.7 | Confident | 70 Ų | 70 | 105.7 Ų | 105.7 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | trans | -65.3 | 157 | -177.5 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | R138 D146 Y147 | R138-S144 PolarHBondContact NH1-O 3.42Å; R138-S144 PolarHBondContact NH2-O 3.41Å; S144-D146 PolarHBondContact O-N 3.17Å; S144-Y147 VanDerWaalsContact O-CB 3.26Å; S144-Y147 WeakPolarHBondContact O-CB 3.32Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 VanDerWaalsContact O-N 3.15Å | ||
| 145 | D | 87.5 | Confident | 86.7 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 74% | 0.738 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 178.1 | -75.2 | -32.4 | 0 | 0 | 0 | 113.6 | R138 Y147 | R138-D145 IonicContact CZ-OD1 3.58Å; R138-D145 IonicContact NE-OD1 2.98Å; R138-D145 PolarHBondContact NE-OD1 3.09Å; R138-D145 PolarHBondContact NH2-O 3.18Å; R138-D145 IonicContact NH2-OD1 3.18Å; D145-Y147 PolarHBondContact O-N 2.95Å |
| 146 | D | 89.5 | Confident | 85.4 | Confident | 144 Ų | 144 | 111.4 Ų | 111.4 | 77% | 0.77 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 4.5 | 176.3 | -52.4 | -43.9 | 0 | 0 | 0 | 113.8 | S144 V148 | S144-D146 PolarHBondContact O-N 3.17Å; D146-V148 PolarHBondContact O-N 3.24Å; D146-V148 VanDerWaalsContact O-N 3.07Å |
| 147 | Y | 87 | Confident | 84 | Confident | 122 Ų | 122 | 106.1 Ų | 106.1 | 48% | 0.478 | 57% | 0.569 | S | S | . | * | trans | -63.2 | 113.8 | 179.4 | 174.7 | -97.4 | 0 | 0 | 0 | 111.2 | I143 S144 D145 P149 | I143-Y147 HydrophobicContact CG2-CD1 3.97Å; I143-Y147 HydrophobicContact CG2-CD2 4.17Å; I143-Y147 HydrophobicContact CG2-CG 3.61Å; S144-Y147 VanDerWaalsContact O-CB 3.26Å; S144-Y147 WeakPolarHBondContact O-CB 3.32Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 VanDerWaalsContact O-N 3.15Å; D145-Y147 PolarHBondContact O-N 2.95Å; Y147-P149 HydrophobicContact CE1-CB 4.48Å; Y147-P149 HydrophobicContact CE1-CG 4.19Å | ||
| 148 | V | 84.4 | Confident | 82.5 | Confident | 85 Ų | 85 | 106.6 Ų | 106.6 | 52% | 0.515 | 57% | 0.572 | S | S | . | * | trans | -96 | 119 | 172.7 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | D146 G150 A151 | D146-V148 PolarHBondContact O-N 3.24Å; D146-V148 VanDerWaalsContact O-N 3.07Å; V148-G150 PolarHBondContact O-N 3.44Å; V148-A151 HydrophobicContact CB-CB 4.18Å; V148-A151 VanDerWaalsContact O-CB 3.24Å; V148-A151 WeakPolarHBondContact O-CB 3.11Å; V148-A151 PolarHBondContact O-N 3.05Å; V148-A151 VanDerWaalsContact O-N 3.13Å | ||
| 149 | P | 82 | Confident | 81.1 | Confident | 102 Ų | 102 | 112.3 Ų | 112.3 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 135 | 173.3 | -25.9 | 34.4 | 0 | 0 | 0 | 111.5 | Y147 A151 | Y147-P149 HydrophobicContact CE1-CB 4.48Å; Y147-P149 HydrophobicContact CE1-CG 4.19Å; P149-A151 VanDerWaalsContact C-N 3.27Å; P149-A151 PolarHBondContact O-N 3.16Å |
| 150 | G | 80.5 | Confident | 79.6 | Confident | 37 Ų | 37 | 111.5 Ų | 111.5 | 38% | 0.381 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.1 | -5.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | V148 A152 F153 | V148-G150 PolarHBondContact O-N 3.44Å; G150-A152 PolarHBondContact O-N 2.96Å; G150-A152 VanDerWaalsContact O-N 3.12Å; G150-F153 PolarHBondContact O-N 3.28Å |
| 151 | A | 83.1 | Confident | 77.8 | Confident | 44 Ų | 44 | 110.8 Ų | 110.8 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.9 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V148 P149 F153 K154 | V148-A151 HydrophobicContact CB-CB 4.18Å; V148-A151 VanDerWaalsContact O-CB 3.24Å; V148-A151 WeakPolarHBondContact O-CB 3.11Å; V148-A151 PolarHBondContact O-N 3.05Å; V148-A151 VanDerWaalsContact O-N 3.13Å; P149-A151 VanDerWaalsContact C-N 3.27Å; P149-A151 PolarHBondContact O-N 3.16Å; A151-F153 VanDerWaalsContact C-N 3.27Å; A151-F153 PolarHBondContact O-N 2.93Å; A151-K154 PolarHBondContact O-N 3.39Å |
| 152 | A | 80.4 | Confident | 76 | Confident | 80 Ų | 80 | 109.9 Ų | 109.9 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.5 | -29.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G150 | G150-A152 PolarHBondContact O-N 2.96Å; G150-A152 VanDerWaalsContact O-N 3.12Å |
| 153 | F | 80.7 | Confident | 74.3 | Confident | 147 Ų | 147 | 104.4 Ų | 104.4 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -88.9 | -17.1 | -177.8 | -60.1 | -69.7 | 0 | 0 | 0 | 113.4 | G150 A151 K155 M156 | G150-F153 PolarHBondContact O-N 3.28Å; A151-F153 VanDerWaalsContact C-N 3.27Å; A151-F153 PolarHBondContact O-N 2.93Å; F153-K155 PolarHBondContact O-N 3.34Å; F153-M156 HydrophobicContact CD1-SD 4.16Å; F153-M156 PolarHBondContact O-N 3.01Å |
| 154 | K | 73.2 | Confident | 72.4 | Confident | 159 Ų | 159 | 106.7 Ų | 106.7 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -56.8 | -35 | 178.7 | -71.5 | -168.9 | 175.4 | -174.9 | 0 | 112.2 | A151 M156 | A151-K154 PolarHBondContact O-N 3.39Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.16Å |
| 155 | K | 67.3 | Low | 70.8 | Confident | 124 Ų | 124 | 107 Ų | 107 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -10.3 | 179.8 | -62.6 | -174.2 | 178 | -175.7 | 0 | 114.6 | F153 T161 | F153-K155 PolarHBondContact O-N 3.34Å; K155-T161 PolarHBondContact O-OG1 3.39Å |
| 156 | M | 63.3 | Low | 68.9 | Low | 132 Ų | 132 | 107.4 Ų | 107.4 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -22.4 | 178.5 | -91.4 | 179.3 | 171.5 | 0 | 0 | 113.3 | F153 K154 | F153-M156 HydrophobicContact CD1-SD 4.16Å; F153-M156 PolarHBondContact O-N 3.01Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.16Å |
| 157 | G | 64.8 | Low | 66.8 | Low | 50 Ų | 50 | 106.9 Ų | 106.9 | 52% | 0.515 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -77.9 | -23.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H159 | G157-H159 PolarHBondContact O-CE1 3.25Å; G157-H159 PolarHBondContact O-N 3.33Å |
| 158 | D | 61.3 | Low | 65.1 | Low | 105 Ų | 105 | 106.3 Ų | 106.3 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | trans | -86 | 106.6 | 179.8 | -74 | -19.3 | 0 | 0 | 0 | 109.7 | N160 T161 | D158-N160 PolarHBondContact O-N 2.88Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact O-N 3.15Å; D158-T161 PolarHBondContact O-OG1 3.34Å; D158-T161 VanDerWaalsContact O-OG1 3.09Å | ||
| 159 | H | 62.1 | Low | 63.5 | Low | 188 Ų | 188 | 107.6 Ų | 107.6 | 87% | 0.87 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13 | -178.2 | -47.2 | -46 | 0 | 0 | 0 | 114.3 | G157 | G157-H159 PolarHBondContact O-CE1 3.25Å; G157-H159 PolarHBondContact O-N 3.33Å |
| 160 | N | 61.1 | Low | 62.2 | Low | 160 Ų | 160 | 111.2 Ų | 111.2 | 86% | 0.856 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -1.6 | -176.7 | -75.7 | -8.7 | 0 | 0 | 0 | 114.7 | D158 | D158-N160 PolarHBondContact O-N 2.88Š|
| 161 | T | 57.6 | Low | 60.7 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 39% | 0.387 | 65% | 0.654 | S | S | . | * | trans | -94.9 | 110.6 | -179.5 | 9.6 | 0 | 0 | 0 | 0 | 112 | K155 D158 I163 | K155-T161 PolarHBondContact O-OG1 3.39Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact O-N 3.15Å; D158-T161 PolarHBondContact O-OG1 3.34Å; D158-T161 VanDerWaalsContact O-OG1 3.09Å; T161-I163 PolarHBondContact O-N 3.07Å | ||
| 162 | V | 56 | Low | 59.6 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | trans | -64 | 121.9 | 167.3 | -177 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 163 | I | 57.5 | Low | 58.4 | Low | 79 Ų | 79 | 128.5 Ų | 128.5 | 41% | 0.405 | 70% | 0.704 | S | S | . | * | trans | -59.5 | 125.9 | 174.8 | -57.4 | 173.2 | 0 | 0 | 0 | 107.8 | T161 G165 K166 | T161-I163 PolarHBondContact O-N 3.07Å; I163-G165 PolarHBondContact O-N 3.4Å; I163-K166 HydrophobicContact CD1-CD 4.41Å; I163-K166 PolarHBondContact O-N 3.21Å | ||
| 164 | P | 51.7 | Low | 57.2 | Low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 110.1 | 174 | 24.6 | -30.8 | 0 | 0 | 0 | 108.4 | ||
| 165 | G | 55.7 | Low | 56.4 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.8 | -9.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | I163 | I163-G165 PolarHBondContact O-N 3.4Š|
| 166 | K | 48.6 | Very low | 55.8 | Low | 146 Ų | 146 | 126.1 Ų | 126.1 | 64% | 0.635 | 72% | 0.718 | S | S | * | * | trans | -98.3 | 98.3 | 164.7 | -84.3 | -170.2 | 176.3 | -177.3 | 0 | 109.6 | I163 V168 | I163-K166 HydrophobicContact CD1-CD 4.41Å; I163-K166 PolarHBondContact O-N 3.21Å; K166-V168 PolarHBondContact O-N 3.06Å | ||
| 167 | T | 44.4 | Very low | 55.4 | Low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -67.2 | 111.9 | 161.5 | 48.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 168 | V | 52.3 | Low | 54.8 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 67% | 0.667 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 127 | 164.2 | -175.3 | 0 | 0 | 0 | 0 | 105.9 | K166 E170 | K166-V168 PolarHBondContact O-N 3.06Å; V168-E170 PolarHBondContact O-N 2.88Å |
| 169 | P | 50.4 | Low | 54.3 | Low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.7 | 173.7 | 26.4 | -31.4 | 0 | 0 | 0 | 108.6 | ||
| 170 | E | 55.1 | Low | 53.8 | Low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139 | 174 | -74.1 | -169.8 | 162.2 | 0 | 0 | 109.9 | V168 T172 | V168-E170 PolarHBondContact O-N 2.88Å; E170-T172 PolarHBondContact O-N 3.39Å |
| 171 | P | 48.6 | Very low | 53.2 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.8 | 172.5 | 29.4 | -30.2 | 0 | 0 | 0 | 108.5 | E173 | P171-E173 PolarHBondContact O-N 3.29Š|
| 172 | T | 60.3 | Low | 52.9 | Low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 121.8 | 164.7 | 42.5 | 0 | 0 | 0 | 0 | 109 | E170 | E170-T172 PolarHBondContact O-N 3.39Š|
| 173 | E | 53.8 | Low | 52.6 | Low | 266 Ų | 266 | 133.6 Ų | 133.6 | 100% | 1.243 | 77% | 0.769 | S | S | * | * | trans | -54.3 | 0 | 162 | -70.4 | -176 | 160.6 | 0 | 0 | 112 | P171 | P171-E173 PolarHBondContact O-N 3.29Š|
Retrieved 173 of 173 residues in 89.7 ms
(Link to these results)