| 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 | 39.6 | Very low | 41.1 | Very low | 250 Ų | 250 | 173.5 Ų | 173.5 | 100% | 1.232 | 90% | 0.897 | S | S | * | * | 0 | 97 | 0 | -62.1 | -174.5 | -155.6 | 0 | 0 | 107.8 | |||||
| 2 | S | 42.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 164 Ų | 164 | 88% | 0.881 | 86% | 0.863 | S | S | * | * | trans | -149.8 | 104.1 | 169 | -157.4 | 0 | 0 | 0 | 0 | 107.7 | G4 | S2-G4 PolarHBondContact O-N 3.05Š| ||
| 3 | T | 40.1 | Very low | 41.7 | Very low | 131 Ų | 131 | 158.2 Ų | 158.2 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -82.3 | 105.6 | -176.3 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | L5 | T3-L5 PolarHBondContact O-N 3.31Š| ||
| 4 | G | 39 | Very low | 42.7 | Very low | 79 Ų | 79 | 154.4 Ų | 154.4 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -72.4 | 116.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | S2 R6 | S2-G4 PolarHBondContact O-N 3.05Å; G4-R6 PolarHBondContact O-N 3.2Å | ||
| 5 | L | 42.8 | Very low | 42.9 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 107.7 | 174.4 | -87 | 92.8 | 0 | 0 | 0 | 110.4 | T3 Y7 | T3-L5 PolarHBondContact O-N 3.31Å; L5-Y7 PolarHBondContact O-N 3.02Å | ||
| 6 | R | 38.7 | Very low | 43.3 | Very low | 242 Ų | 242 | 151.4 Ų | 151.4 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -71.4 | 114.6 | 161.4 | -112.2 | 177.9 | 179.4 | 178.6 | -0.4 | 109 | G4 K8 | G4-R6 PolarHBondContact O-N 3.2Å; R6-K8 PolarHBondContact O-N 2.98Å | ||
| 7 | Y | 40.3 | Very low | 43.6 | Very low | 229 Ų | 229 | 150.8 Ų | 150.8 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -73 | 105.4 | 173.8 | -135.3 | -98.3 | 0 | 0 | 0 | 109.5 | L5 | L5-Y7 PolarHBondContact O-N 3.02Š| ||
| 8 | K | 41.7 | Very low | 43.8 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -85.3 | 122.9 | 166.6 | -85.1 | -173.7 | 173 | -178.1 | 0 | 108.7 | R6 K10 | R6-K8 PolarHBondContact O-N 2.98Å; K8-K10 PolarHBondContact O-N 3.34Å; K8-K10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | S | 42.4 | Very low | 44.2 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 108.2 | 174 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | K | 43.9 | Very low | 44.7 | Very low | 199 Ų | 199 | 146.7 Ų | 146.7 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.5 | 163 | -79.3 | -177.2 | 174.4 | 179.7 | 0 | 109 | K8 A12 | K8-K10 PolarHBondContact O-N 3.34Å; K8-K10 VanDerWaalsContact O-N 3.15Å; K10-A12 PolarHBondContact O-N 3.35Å |
| 11 | L | 41.4 | Very low | 45.3 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 94% | 0.942 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 120 | 172.7 | -75.8 | 112.9 | 0 | 0 | 0 | 109.8 | ||
| 12 | A | 44.3 | Very low | 46.2 | Very low | 60 Ų | 60 | 141.5 Ų | 141.5 | 50% | 0.496 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 134.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K10 D16 | K10-A12 PolarHBondContact O-N 3.35Å; A12-D16 HydrophobicContact CB-CB 4.27Å |
| 13 | T | 46.3 | Very low | 47.1 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 54% | 0.54 | 73% | 0.734 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 157.6 | 172.9 | 21 | 0 | 0 | 0 | 0 | 112 | E15 D16 | T13-E15 PolarHBondContact O-N 2.97Å; T13-D16 PolarHBondContact O-N 3.28Å; T13-D16 VanDerWaalsContact O-N 3.15Å; T13-D16 PolarHBondContact OG1-OD2 2.94Å |
| 14 | P | 55 | Low | 48.5 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -19.7 | -171.6 | -18.7 | 30.6 | 0 | 0 | 0 | 114.7 | ||
| 15 | E | 46 | Very low | 49.9 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -22.2 | -178.7 | -62.5 | -175.4 | 158.1 | 0 | 0 | 112.9 | T13 K17 | T13-E15 PolarHBondContact O-N 2.97Å; E15-K17 PolarHBondContact O-N 2.99Å |
| 16 | D | 48.8 | Very low | 51.3 | Low | 84 Ų | 84 | 138.7 Ų | 138.7 | 45% | 0.449 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -11.5 | 174.8 | -67.5 | -52.7 | 0 | 0 | 0 | 112.8 | A12 T13 Q18 I20 | A12-D16 HydrophobicContact CB-CB 4.27Å; T13-D16 PolarHBondContact O-N 3.28Å; T13-D16 VanDerWaalsContact O-N 3.15Å; T13-D16 PolarHBondContact OG1-OD2 2.94Å; D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 3Å; D16-I20 HydrophobicContact CB-CD1 4.46Å; D16-I20 VanDerWaalsContact O-CD1 3.25Å; D16-I20 WeakPolarHBondContact O-CD1 3.43Å; D16-I20 VanDerWaalsContact O-CG1 3.24Å; D16-I20 WeakPolarHBondContact O-CG1 3.45Å |
| 17 | K | 48.8 | Very low | 53.2 | Low | 140 Ų | 140 | 133.8 Ų | 133.8 | 61% | 0.609 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.8 | -20.4 | -177.6 | -73.4 | -176.8 | 174.9 | 179.6 | 0 | 113.6 | E15 | E15-K17 PolarHBondContact O-N 2.99Å |
| 18 | Q | 47.3 | Very low | 54.9 | Low | 163 Ų | 163 | 126.1 Ų | 126.1 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87 | -19.2 | -176 | -75.7 | -177.4 | -4.2 | 0 | 0 | 114.4 | D16 | D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 3Å |
| 19 | D | 51.4 | Low | 56.8 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -102.1 | -15.2 | 176.6 | -86.2 | -32.5 | 0 | 0 | 0 | 114 | D21 K22 | D19-D21 PolarHBondContact O-N 3.43Å; D19-K22 PolarHBondContact O-N 3.45Å; D19-K22 IonicContact OD1-NZ 3.69Å; D19-K22 PolarHBondContact OD1-NZ 3.3Å |
| 20 | I | 54.4 | Low | 58.6 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67 | -27.5 | 171.9 | -64.8 | 165.9 | 0 | 0 | 0 | 111.2 | D16 K22 Y24 | D16-I20 HydrophobicContact CB-CD1 4.46Å; D16-I20 VanDerWaalsContact O-CD1 3.25Å; D16-I20 WeakPolarHBondContact O-CD1 3.43Å; D16-I20 VanDerWaalsContact O-CG1 3.24Å; D16-I20 WeakPolarHBondContact O-CG1 3.45Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.08Å; I20-Y24 PolarHBondContact O-N 2.99Å |
| 21 | D | 57.4 | Low | 60.6 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 66% | 0.663 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -20.7 | 179 | -80.7 | -14.1 | 0 | 0 | 0 | 113.8 | D19 | D19-D21 PolarHBondContact O-N 3.43Š|
| 22 | K | 58.4 | Low | 62.5 | Low | 164 Ų | 164 | 109.1 Ų | 109.1 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -16.6 | 179.8 | -71.6 | 177.5 | -167.8 | 145.4 | 0 | 114.2 | D19 I20 | D19-K22 PolarHBondContact O-N 3.45Å; D19-K22 IonicContact OD1-NZ 3.69Å; D19-K22 PolarHBondContact OD1-NZ 3.3Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.08Å |
| 23 | Q | 61.6 | Low | 64.2 | Low | 175 Ų | 175 | 111.5 Ų | 111.5 | 82% | 0.818 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -0.6 | 175.6 | -79.2 | 179.3 | -3.3 | 0 | 0 | 113.4 | V25 | Q23-V25 PolarHBondContact O-N 3.13Å; Q23-V25 VanDerWaalsContact O-N 3.09Å |
| 24 | Y | 67.6 | Low | 65.9 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 52% | 0.522 | 58% | 0.58 | S | S | . | * | trans | -81.2 | 89.5 | 176.4 | -170 | -104.2 | 0 | 0 | 0 | 111 | I20 G26 A28 | I20-Y24 PolarHBondContact O-N 2.99Å; Y24-G26 PolarHBondContact O-N 3.42Å; Y24-G26 VanDerWaalsContact O-N 3.17Å; Y24-A28 HydrophobicContact CE2-CB 4.09Å | ||
| 25 | V | 68.4 | Low | 67.1 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | trans | -71.7 | -4.8 | 179.7 | -158.4 | 0 | 0 | 0 | 0 | 112.7 | Q23 F27 | Q23-V25 PolarHBondContact O-N 3.13Å; Q23-V25 VanDerWaalsContact O-N 3.09Å; V25-F27 HydrophobicContact CB-CD2 3.69Å; V25-F27 HydrophobicContact CB-CE2 3.95Å; V25-F27 HydrophobicContact CG1-CD2 3.53Å; V25-F27 HydrophobicContact CG1-CE2 3.24Å; V25-F27 HydrophobicContact CG1-CZ 4.07Å; V25-F27 PolarHBondContact O-N 2.75Å; V25-F27 VanDerWaalsContact O-N 3.17Å | ||
| 26 | G | 73.5 | Confident | 68.6 | Low | 23 Ų | 23 | 112.1 Ų | 112.1 | 24% | 0.237 | 57% | 0.565 | C | S | . | * | S | Bend | trans | 76.6 | -6.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y24 A28 T29 | Y24-G26 PolarHBondContact O-N 3.42Å; Y24-G26 VanDerWaalsContact O-N 3.17Å; G26-A28 PolarHBondContact O-N 2.8Å; G26-A28 VanDerWaalsContact O-N 3.14Å; G26-T29 PolarHBondContact O-N 3.27Å; G26-T29 PolarHBondContact O-OG1 3.34Å |
| 27 | F | 77.4 | Confident | 70.2 | Confident | 139 Ų | 139 | 115.9 Ų | 115.9 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -59.2 | -23.2 | 175.5 | -67 | -55.6 | 0 | 0 | 0 | 113.7 | V25 T29 L30 | V25-F27 HydrophobicContact CB-CD2 3.69Å; V25-F27 HydrophobicContact CB-CE2 3.95Å; V25-F27 HydrophobicContact CG1-CD2 3.53Å; V25-F27 HydrophobicContact CG1-CE2 3.24Å; V25-F27 HydrophobicContact CG1-CZ 4.07Å; V25-F27 PolarHBondContact O-N 2.75Å; V25-F27 VanDerWaalsContact O-N 3.17Å; F27-T29 PolarHBondContact O-N 3.3Å; F27-T29 VanDerWaalsContact O-N 3.09Å; F27-L30 HydrophobicContact CB-CD1 4.29Å; F27-L30 HydrophobicContact CD1-CD1 3.64Å; F27-L30 HydrophobicContact CD1-CG 4.36Å; F27-L30 HydrophobicContact CE1-CD1 4.48Å; F27-L30 HydrophobicContact CG-CD1 4.42Å; F27-L30 WeakPolarHBondContact O-CB 3.27Å; F27-L30 PolarHBondContact O-N 3.23Å |
| 28 | A | 77.7 | Confident | 71.6 | Confident | 69 Ų | 69 | 111.4 Ų | 111.4 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -58.9 | -20.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y24 G26 | Y24-A28 HydrophobicContact CE2-CB 4.09Å; G26-A28 PolarHBondContact O-N 2.8Å; G26-A28 VanDerWaalsContact O-N 3.14Å |
| 29 | T | 79.8 | Confident | 73.2 | Confident | 48 Ų | 48 | 105.2 Ų | 105.2 | 29% | 0.294 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -86.3 | -12.8 | 176.3 | 68 | 0 | 0 | 0 | 0 | 113.7 | G26 F27 N32 Q33 | G26-T29 PolarHBondContact O-N 3.27Å; G26-T29 PolarHBondContact O-OG1 3.34Å; F27-T29 PolarHBondContact O-N 3.3Å; F27-T29 VanDerWaalsContact O-N 3.09Å; T29-N32 WeakPolarHBondContact O-CB 3.49Å; T29-N32 PolarHBondContact O-N 3.34Å; T29-N32 VanDerWaalsContact O-N 3.11Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 PolarHBondContact OG1-NE2 3.42Å |
| 30 | L | 81.7 | Confident | 74.4 | Confident | 81 Ų | 81 | 107.5 Ų | 107.5 | 42% | 0.424 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.7 | -45.3 | -177.8 | -74.1 | 176.3 | 0 | 0 | 0 | 113 | F27 N32 Q33 V34 | F27-L30 HydrophobicContact CB-CD1 4.29Å; F27-L30 HydrophobicContact CD1-CD1 3.64Å; F27-L30 HydrophobicContact CD1-CG 4.36Å; F27-L30 HydrophobicContact CE1-CD1 4.48Å; F27-L30 HydrophobicContact CG-CD1 4.42Å; F27-L30 WeakPolarHBondContact O-CB 3.27Å; F27-L30 PolarHBondContact O-N 3.23Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.47Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-Q33 VanDerWaalsContact O-N 3.08Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 2.94Å |
| 31 | P | 84.9 | Confident | 75.6 | Confident | 86 Ų | 86 | 111.1 Ų | 111.1 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.2 | -40.7 | 175.9 | -24.9 | 35.5 | 0 | 0 | 0 | 112.1 | Q33 V34 H35 | P31-Q33 PolarHBondContact O-N 2.97Å; P31-V34 PolarHBondContact O-N 2.96Å; P31-H35 WeakPolarHBondContact O-CB 3.42Å; P31-H35 PolarHBondContact O-N 3.38Å |
| 32 | N | 82.3 | Confident | 76.7 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.2 | -36 | 176.8 | -66.5 | -27.1 | 0 | 0 | 0 | 112.1 | T29 L30 R36 | T29-N32 WeakPolarHBondContact O-CB 3.49Å; T29-N32 PolarHBondContact O-N 3.34Å; T29-N32 VanDerWaalsContact O-N 3.11Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.47Å; N32-R36 VanDerWaalsContact O-CB 3.22Å; N32-R36 WeakPolarHBondContact O-CB 3.5Å; N32-R36 PolarHBondContact O-N 3.02Å |
| 33 | Q | 80.3 | Confident | 78 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 174.9 | -67.9 | 178.9 | 35.6 | 0 | 0 | 111.6 | T29 L30 P31 R36 K37 | T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 PolarHBondContact OG1-NE2 3.42Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-Q33 VanDerWaalsContact O-N 3.08Å; P31-Q33 PolarHBondContact O-N 2.97Å; Q33-R36 PolarHBondContact O-N 3.39Å; Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 PolarHBondContact O-N 3.44Å |
| 34 | V | 81.8 | Confident | 79.3 | Confident | 91 Ų | 91 | 95.3 Ų | 95.3 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | L30 P31 K37 S38 | L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 2.94Å; P31-V34 PolarHBondContact O-N 2.96Å; V34-K37 PolarHBondContact O-N 2.99Å; V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.01Å; V34-S38 PolarHBondContact O-OG 3.47Å |
| 35 | H | 78.8 | Confident | 80.4 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 57% | 0.569 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58 | -51.4 | 174 | -178.5 | 73.2 | 0 | 0 | 0 | 110.6 | P31 K37 S38 V39 | P31-H35 WeakPolarHBondContact O-CB 3.42Å; P31-H35 PolarHBondContact O-N 3.38Å; H35-K37 VanDerWaalsContact C-N 3.31Å; H35-K37 PolarHBondContact O-N 3.21Å; H35-S38 PolarHBondContact O-N 3.39Å; H35-S38 VanDerWaalsContact O-N 3.16Å; H35-V39 WeakPolarHBondContact O-CB 3.48Å; H35-V39 VanDerWaalsContact O-CG2 3.22Å; H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.73Å |
| 36 | R | 78.3 | Confident | 81.5 | Confident | 169 Ų | 169 | 84.2 Ų | 84.2 | 64% | 0.638 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 178.5 | -170.7 | 177.9 | -173.2 | -170 | 2.5 | 112.7 | N32 Q33 K40 | N32-R36 VanDerWaalsContact O-CB 3.22Å; N32-R36 WeakPolarHBondContact O-CB 3.5Å; N32-R36 PolarHBondContact O-N 3.02Å; Q33-R36 PolarHBondContact O-N 3.39Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.48Å; R36-K40 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-N 3.08Å |
| 37 | K | 81.6 | Confident | 82.4 | Confident | 163 Ų | 163 | 83.1 Ų | 83.1 | 71% | 0.709 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | 176.8 | -170.2 | -179.6 | 178.4 | -175.4 | 0 | 111.3 | Q33 V34 H35 K40 K41 | Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 PolarHBondContact O-N 3.44Å; V34-K37 PolarHBondContact O-N 2.99Å; H35-K37 VanDerWaalsContact C-N 3.31Å; H35-K37 PolarHBondContact O-N 3.21Å; K37-K40 PolarHBondContact O-N 2.95Å; K37-K41 PolarHBondContact O-N 3.38Å |
| 38 | S | 79.4 | Confident | 83.1 | Confident | 46 Ų | 46 | 76.5 Ų | 76.5 | 32% | 0.322 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 179.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V34 H35 K40 K41 G42 | V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.01Å; V34-S38 PolarHBondContact O-OG 3.47Å; H35-S38 PolarHBondContact O-N 3.39Å; H35-S38 VanDerWaalsContact O-N 3.16Å; S38-K40 VanDerWaalsContact C-N 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; S38-K41 PolarHBondContact O-N 2.85Å; S38-K41 VanDerWaalsContact O-N 3.14Å; S38-G42 PolarHBondContact O-N 3.5Å |
| 39 | V | 79.5 | Confident | 83.7 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | H35 G42 G99 V100 | H35-V39 WeakPolarHBondContact O-CB 3.48Å; H35-V39 VanDerWaalsContact O-CG2 3.22Å; H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.73Å; V39-G42 PolarHBondContact O-N 2.94Å; V39-G99 VanDerWaalsContact CG1-O 3.24Å; V39-G99 WeakPolarHBondContact CG1-O 3.2Å; V39-V100 HydrophobicContact CG2-CG2 4.38Å |
| 40 | K | 77.7 | Confident | 84.2 | Confident | 156 Ų | 156 | 70.9 Ų | 70.9 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.7 | -36.5 | 175.2 | -80.8 | -178 | 177.1 | -170.3 | 0 | 113.5 | R36 K37 S38 G42 | R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.48Å; R36-K40 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-N 3.08Å; K37-K40 PolarHBondContact O-N 2.95Å; S38-K40 VanDerWaalsContact C-N 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; K40-G42 VanDerWaalsContact C-N 3.31Å |
| 41 | K | 78.7 | Confident | 84.6 | Confident | 175 Ų | 175 | 67 Ų | 67 | 76% | 0.761 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.1 | -33.3 | 178 | -168.8 | -179.6 | 177.4 | -171 | 0 | 110.8 | K37 S38 | K37-K41 PolarHBondContact O-N 3.38Å; S38-K41 PolarHBondContact O-N 2.85Å; S38-K41 VanDerWaalsContact O-N 3.14Å |
| 42 | G | 82.2 | Confident | 84.6 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | trans | 75.8 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S38 V39 K40 K101 | S38-G42 PolarHBondContact O-N 3.5Å; V39-G42 PolarHBondContact O-N 2.94Å; K40-G42 VanDerWaalsContact C-N 3.31Å; G42-K101 CarbonylContact C-O 3.55Å; G42-K101 WeakPolarHBondContact CA-O 3.47Å | ||
| 43 | F | 84.7 | Confident | 84.7 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.9 | 177.6 | -61.2 | -83.2 | 0 | 0 | 0 | 109.4 | V100 K101 L102 K103 | F43-V100 HydrophobicContact CD2-CG1 3.59Å; F43-V100 HydrophobicContact CE2-CG1 3.6Å; F43-K101 PolarHBondContact N-O 3.27Å; F43-L102 HydrophobicContact CB-CD1 3.76Å; F43-L102 CarbonylContact O-C 3.57Å; F43-L102 WeakPolarHBondContact O-CA 3.43Å; F43-K103 PolarHBondContact O-N 3.09Å |
| 44 | D | 89.1 | Confident | 84.8 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.7 | 169.9 | -56.5 | -53.4 | 0 | 0 | 0 | 107.9 | K103 D150 K296 | D44-K103 WeakPolarHBondContact CA-O 3.49Å; D44-K103 WeakPolarHBondContact OD1-CB 3.44Å; D44-D150 HydrophobicContact CB-CB 4.4Å; D44-K296 PolarHBondContact O-NZ 3.46Å; D44-K296 VanDerWaalsContact O-NZ 3.12Å |
| 45 | F | 90.3 | Very high | 85 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.9 | 175.6 | -173.6 | -106.6 | 0 | 0 | 0 | 109.7 | L47 L102 K103 L104 T105 H154 C155 M292 L295 | F45-L47 HydrophobicContact CE1-CB 4.15Å; F45-L47 HydrophobicContact CE1-CD1 4.16Å; F45-L102 HydrophobicContact CB-CD1 3.97Å; F45-K103 PolarHBondContact N-O 3.48Å; F45-L104 HydrophobicContact CB-CD1 4.49Å; F45-L104 HydrophobicContact CD1-CD1 3.67Å; F45-L104 HydrophobicContact CE1-CD1 4.49Å; F45-L104 CarbonylContact O-C 3.59Å; F45-L104 WeakPolarHBondContact O-CA 3.45Å; F45-T105 PolarHBondContact O-N 2.82Å; F45-H154 HydrophobicContact CD2-CB 3.88Å; F45-H154 HydrophobicContact CE2-CB 3.65Å; F45-H154 HydrophobicContact CZ-CB 4.41Å; F45-C155 HydrophobicContact CZ-CB 4.01Å; F45-M292 HydrophobicContact CB-CG 4.5Å; F45-M292 HydrophobicContact CB-SD 4.2Å; F45-M292 HydrophobicContact CD2-CG 3.57Å; F45-M292 HydrophobicContact CD2-SD 4.35Å; F45-M292 HydrophobicContact CE2-CG 3.81Å; F45-M292 HydrophobicContact CG-CG 3.96Å; F45-M292 HydrophobicContact CG-SD 4.17Å; F45-M292 HydrophobicContact CZ-CG 4.39Å; F45-L295 HydrophobicContact CE2-CB 4.37Å; F45-L295 HydrophobicContact CE2-CD1 4.4Å; F45-L295 HydrophobicContact CZ-CD1 4.21Å |
| 46 | T | 91.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.9 | -176.9 | -49.7 | 0 | 0 | 0 | 0 | 109.5 | T105 V107 R152 V153 H154 C155 | T46-T105 CarbonylContact C-O 3.56Å; T46-T105 WeakPolarHBondContact CA-O 3.28Å; T46-T105 HydrophobicContact CG2-CG2 4.12Å; T46-V107 HydrophobicContact CG2-CG2 3.84Å; T46-R152 WeakPolarHBondContact CB-O 3.43Å; T46-R152 PolarHBondContact OG1-O 2.81Å; T46-V153 HydrophobicContact CG2-CG2 4.4Å; T46-H154 PolarHBondContact N-ND1 3.36Å; T46-H154 PolarHBondContact O-N 2.94Å; T46-C155 PolarHBondContact O-N 2.87Å |
| 47 | L | 91.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.3 | -179.5 | -172.7 | 70.8 | 0 | 0 | 0 | 109.1 | F45 F65 T105 I106 V107 C155 L157 L287 | F45-L47 HydrophobicContact CE1-CB 4.15Å; F45-L47 HydrophobicContact CE1-CD1 4.16Å; L47-F65 HydrophobicContact CD2-CE2 3.87Å; L47-F65 HydrophobicContact CD2-CZ 4.07Å; L47-T105 PolarHBondContact N-O 3.48Å; L47-I106 CarbonylContact O-C 3.48Å; L47-I106 WeakPolarHBondContact O-CA 3.35Å; L47-V107 PolarHBondContact O-N 2.83Å; L47-C155 HydrophobicContact CD1-CB 3.91Å; L47-L157 HydrophobicContact CD1-CD1 4.07Å; L47-L157 HydrophobicContact CD1-CD2 4.25Å; L47-L157 HydrophobicContact CD1-CG 3.77Å; L47-L157 HydrophobicContact CD2-CD1 3.86Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; L47-L157 HydrophobicContact CG-CD1 4.25Å; L47-L157 HydrophobicContact CG-CG 4.29Å; L47-L287 HydrophobicContact CD1-CD2 4.29Å |
| 48 | M | 92.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.8 | 170.3 | 179.9 | 177.6 | -91.2 | 0 | 0 | 110 | V107 T109 I125 Y128 V129 V153 C155 C156 L157 | M48-V107 WeakPolarHBondContact CA-O 3.34Å; M48-V107 HydrophobicContact CB-CB 4.24Å; M48-V107 HydrophobicContact CE-CB 4.38Å; M48-V107 HydrophobicContact CE-CG1 3.75Å; M48-V107 HydrophobicContact CG-CB 4.34Å; M48-V107 HydrophobicContact CG-CG1 4.44Å; M48-T109 HydrophobicContact CE-CG2 4.18Å; M48-T109 HydrophobicContact CG-CG2 3.96Å; M48-T109 HydrophobicContact SD-CG2 4.24Å; M48-I125 HydrophobicContact CE-CG2 4Å; M48-I125 HydrophobicContact SD-CG2 3.55Å; M48-I125 VanDerWaalsContact SD-CG2 3.55Å; M48-Y128 HydrophobicContact CE-CD1 3.49Å; M48-Y128 VanDerWaalsContact CE-CD1 3.49Å; M48-Y128 HydrophobicContact CE-CE1 3.82Å; M48-Y128 HydrophobicContact CE-CG 4.36Å; M48-V129 HydrophobicContact CE-CG2 4.11Å; M48-V129 HydrophobicContact SD-CG2 4.38Å; M48-V153 HydrophobicContact CB-CG1 3.44Å; M48-V153 VanDerWaalsContact CB-CG1 3.44Å; M48-V153 HydrophobicContact CB-CG2 4.48Å; M48-V153 HydrophobicContact CE-CG2 4.03Å; M48-V153 HydrophobicContact SD-CG1 4.42Å; M48-C155 PolarHBondContact N-O 2.67Å; M48-C156 HydrophobicContact CB-CB 4.46Å; M48-C156 CarbonylContact O-C 3.6Å; M48-C156 WeakPolarHBondContact O-CA 3.19Å; M48-L157 PolarHBondContact O-N 3.31Å |
| 49 | V | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.3 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 108.8 | K57 V61 V107 T109 L157 F159 | V49-K57 HydrophobicContact CG1-CB 3.55Å; V49-K57 HydrophobicContact CG1-CD 3.75Å; V49-K57 HydrophobicContact CG1-CG 3.76Å; V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG2-CG2 3.67Å; V49-V107 PolarHBondContact N-O 2.97Å; V49-T109 WeakPolarHBondContact O-CB 3.27Å; V49-T109 PolarHBondContact O-N 3.03Å; V49-T109 PolarHBondContact O-OG1 3.04Å; V49-L157 HydrophobicContact CG2-CB 4.32Å; V49-L157 HydrophobicContact CG2-CD1 4.36Å; V49-F159 HydrophobicContact CB-CE2 4.4Å; V49-F159 HydrophobicContact CG1-CD2 3.94Å; V49-F159 HydrophobicContact CG1-CE2 3.36Å; V49-F159 HydrophobicContact CG1-CZ 4.05Å; V49-F159 HydrophobicContact CG2-CE2 4.43Å |
| 50 | A | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | T109 L157 Y158 F159 F174 | A50-T109 WeakPolarHBondContact CA-OG1 3.43Å; A50-L157 PolarHBondContact N-O 3.06Å; A50-L157 VanDerWaalsContact O-O 3.14Å; A50-Y158 HydrophobicContact CB-CD2 4.17Å; A50-Y158 WeakPolarHBondContact O-CA 3.37Å; A50-F159 WeakPolarHBondContact O-CD2 3.44Å; A50-F159 PolarHBondContact O-N 3.31Å; A50-F174 HydrophobicContact CB-CE1 3.83Å; A50-F174 HydrophobicContact CB-CZ 3.77Å |
| 51 | G | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K57 F112 | G51-K57 PolarHBondContact O-NZ 3.41Å; G51-F112 VanDerWaalsContact C-CE1 3.45Å |
| 52 | E | 86.2 | Confident | 86.2 | Confident | 34 Ų | 34 | 19 Ų | 19 | 16% | 0.159 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -61.3 | 158.1 | 179.5 | -71.3 | -169.6 | 159.4 | 0 | 0 | 114 | L55 K57 F112 R168 | E52-L55 HydrophobicContact CB-CD1 3.84Å; E52-L55 HydrophobicContact CB-CG 3.96Å; E52-K57 PolarHBondContact O-NZ 3.44Å; E52-F112 VanDerWaalsContact CA-O 3.22Å; E52-F112 WeakPolarHBondContact CA-O 3.41Å; E52-F112 HydrophobicContact CG-CD2 4.1Å; E52-F112 HydrophobicContact CG-CE2 3.98Å; E52-F112 WeakPolarHBondContact CG-O 3.4Å; E52-R168 IonicContact OE1-CZ 3.63Å; E52-R168 IonicContact OE1-NE 2.94Å; E52-R168 IonicContact OE1-NH1 2.74Å; E52-R168 PolarHBondContact OE1-NH1 3.06Å; E52-R168 IonicContact OE1-NH2 2.72Å; E52-R168 PolarHBondContact OE1-NH2 2.94Å; E52-R168 IonicContact OE2-CZ 3.36Å; E52-R168 IonicContact OE2-NH1 2.61Å; E52-R168 PolarHBondContact OE2-NH1 2.61Å; E52-R168 IonicContact OE2-NH2 3.3Å; E52-R168 PolarHBondContact OE2-NH2 3.38Å |
| 53 | S | 84.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 18.4 Ų | 18.4 | 17% | 0.168 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 145 | 172 | -155.9 | 0 | 0 | 0 | 0 | 111.4 | L55 Q84 F112 D114 | S53-L55 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact O-N 3.15Å; S53-Q84 PolarHBondContact OG-NE2 3.27Å; S53-F112 PolarHBondContact N-O 3.21Å; S53-D114 WeakPolarHBondContact CB-OD1 3.36Å; S53-D114 WeakPolarHBondContact CB-OD2 3.25Å; S53-D114 PolarHBondContact OG-OD2 2.53Å |
| 54 | G | 82.4 | Confident | 85.7 | Confident | 52 Ų | 52 | 15 Ų | 15 | 54% | 0.536 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 3.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G56 K190 | G54-G56 PolarHBondContact O-N 2.93Å; G54-K190 WeakPolarHBondContact O-CE 3.3Å; G54-K190 PolarHBondContact O-NZ 3.32Å |
| 55 | L | 86.3 | Confident | 84.9 | Confident | 10 Ų | 10 | 14 Ų | 14 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -73.2 | -7.8 | 175 | -66.8 | -173 | 0 | 0 | 0 | 114.4 | E52 S53 F159 A189 | E52-L55 HydrophobicContact CB-CD1 3.84Å; E52-L55 HydrophobicContact CB-CG 3.96Å; S53-L55 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact O-N 3.15Å; L55-F159 HydrophobicContact CB-CB 4.31Å; L55-F159 HydrophobicContact CB-CD1 4.48Å; L55-F159 HydrophobicContact CD1-CB 3.75Å; L55-F159 VanDerWaalsContact CD1-O 3.24Å; L55-F159 WeakPolarHBondContact CD1-O 3.43Å; L55-A189 HydrophobicContact CB-CB 3.84Å; L55-A189 HydrophobicContact CD1-CB 4.27Å; L55-A189 HydrophobicContact CD2-CB 4.17Å; L55-A189 HydrophobicContact CG-CB 4.32Å |
| 56 | G | 83.3 | Confident | 83.7 | Confident | 24 Ų | 24 | 18.2 Ų | 18.2 | 25% | 0.247 | 12% | 0.117 | C | C | . | . | trans | 88.7 | 25.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G54 T59 L60 | G54-G56 PolarHBondContact O-N 2.93Å; G56-T59 WeakPolarHBondContact O-CB 3.49Å; G56-T59 PolarHBondContact O-N 3.43Å; G56-L60 PolarHBondContact O-N 3.38Å | ||
| 57 | K | 84.5 | Confident | 82 | Confident | 13 Ų | 13 | 20.8 Ų | 20.8 | 6% | 0.057 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -47.9 | -62.8 | 176.9 | -67.5 | -166.2 | -53.9 | -90.4 | 0 | 113 | V49 G51 E52 T59 L60 V61 G111 F159 | V49-K57 HydrophobicContact CG1-CB 3.55Å; V49-K57 HydrophobicContact CG1-CD 3.75Å; V49-K57 HydrophobicContact CG1-CG 3.76Å; G51-K57 PolarHBondContact O-NZ 3.41Å; E52-K57 PolarHBondContact O-NZ 3.44Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.94Å; K57-L60 PolarHBondContact O-N 2.87Å; K57-L60 VanDerWaalsContact O-N 3.15Å; K57-V61 WeakPolarHBondContact O-CG2 3.27Å; K57-V61 PolarHBondContact O-N 3.5Å; K57-V61 VanDerWaalsContact O-N 3.11Å; K57-G111 VanDerWaalsContact NZ-CA 3.28Å; K57-F159 HydrophobicContact CB-CZ 4.5Å; K57-F159 HydrophobicContact CD-CD2 4.5Å; K57-F159 HydrophobicContact CG-CD1 4.22Å; K57-F159 HydrophobicContact CG-CD2 4.03Å; K57-F159 HydrophobicContact CG-CE1 4.39Å; K57-F159 HydrophobicContact CG-CE2 4.25Å; K57-F159 HydrophobicContact CG-CG 4.01Å; K57-F159 HydrophobicContact CG-CZ 4.38Å |
| 58 | S | 81.1 | Confident | 80.1 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -36.9 | -179.9 | -33.5 | 0 | 0 | 0 | 0 | 111.5 | L60 V61 H62 D108 | S58-L60 PolarHBondContact O-N 3.24Å; S58-V61 WeakPolarHBondContact O-CB 3.36Å; S58-V61 PolarHBondContact O-N 2.97Å; S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 3.46Å; S58-H62 VanDerWaalsContact O-N 3.08Å; S58-H62 PolarHBondContact O-NE2 2.95Å; S58-D108 PolarHBondContact OG-OD2 3.44Å |
| 59 | T | 83.5 | Confident | 78.2 | Confident | 49 Ų | 49 | 27 Ų | 27 | 30% | 0.301 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.6 | -43 | 174.4 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | G56 K57 H62 S63 N250 | G56-T59 WeakPolarHBondContact O-CB 3.49Å; G56-T59 PolarHBondContact O-N 3.43Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.94Å; T59-H62 PolarHBondContact O-N 3.46Å; T59-S63 WeakPolarHBondContact O-CB 3.37Å; T59-S63 PolarHBondContact O-N 3.48Å; T59-N250 WeakPolarHBondContact CG2-OD1 3.48Å |
| 60 | L | 84.4 | Confident | 76.4 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 177.4 | -168.6 | 75.8 | 0 | 0 | 0 | 111 | G56 K57 S58 H62 S63 L64 F159 L187 V246 F280 L283 | G56-L60 PolarHBondContact O-N 3.38Å; K57-L60 PolarHBondContact O-N 2.87Å; K57-L60 VanDerWaalsContact O-N 3.15Å; S58-L60 PolarHBondContact O-N 3.24Å; L60-H62 VanDerWaalsContact C-N 3.33Å; L60-H62 PolarHBondContact O-N 2.92Å; L60-S63 WeakPolarHBondContact O-CA 3.45Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 VanDerWaalsContact O-N 3.09Å; L60-L64 HydrophobicContact CD2-CD1 4.32Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L60-F159 HydrophobicContact CB-CE1 3.91Å; L60-F159 HydrophobicContact CB-CZ 3.78Å; L60-F159 HydrophobicContact CD2-CE1 3.61Å; L60-F159 HydrophobicContact CD2-CE2 4.26Å; L60-F159 HydrophobicContact CD2-CZ 3.27Å; L60-F159 HydrophobicContact CG-CE1 4.34Å; L60-F159 HydrophobicContact CG-CZ 4.12Å; L60-L187 HydrophobicContact CD2-CD1 3.76Å; L60-V246 HydrophobicContact CD1-CB 4.07Å; L60-V246 HydrophobicContact CD1-CG2 4.09Å; L60-V246 HydrophobicContact CD2-CG2 4.03Å; L60-F280 HydrophobicContact CD1-CD2 3.77Å; L60-F280 HydrophobicContact CD1-CE2 3.78Å; L60-L283 HydrophobicContact CD2-CD2 4.13Å |
| 61 | V | 83.1 | Confident | 74.3 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.6 | -46.6 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V49 K57 S58 S63 L64 F65 L69 I106 | V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG2-CG2 3.67Å; K57-V61 WeakPolarHBondContact O-CG2 3.27Å; K57-V61 PolarHBondContact O-N 3.5Å; K57-V61 VanDerWaalsContact O-N 3.11Å; S58-V61 WeakPolarHBondContact O-CB 3.36Å; S58-V61 PolarHBondContact O-N 2.97Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.49Å; V61-F65 HydrophobicContact CG1-CD2 4.49Å; V61-F65 PolarHBondContact O-N 2.91Å; V61-L69 HydrophobicContact CG1-CD1 3.88Å; V61-I106 HydrophobicContact CG1-CB 4.44Å; V61-I106 HydrophobicContact CG1-CD1 3.55Å; V61-I106 HydrophobicContact CG1-CG1 4.13Å; V61-I106 HydrophobicContact CG1-CG2 3.79Å; V61-I106 HydrophobicContact CG2-CG2 4.11Å |
| 62 | H | 79.5 | Confident | 72.1 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -35.6 | 178.1 | -61.5 | -172.7 | 0 | 0 | 0 | 111.3 | S58 T59 L60 L66 Y70 | S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 3.46Å; S58-H62 VanDerWaalsContact O-N 3.08Å; S58-H62 PolarHBondContact O-NE2 2.95Å; T59-H62 PolarHBondContact O-N 3.46Å; L60-H62 VanDerWaalsContact C-N 3.33Å; L60-H62 PolarHBondContact O-N 2.92Å; H62-L66 PolarHBondContact O-N 3.46Å; H62-Y70 AromaticContact CD2-CD2 3.57Å; H62-Y70 AromaticContact CD2-CE2 3.5Å; H62-Y70 AromaticContact CE1-CD2 3.03Å; H62-Y70 WeakPolarHBondContact CE1-CD2 3.41Å; H62-Y70 AromaticContact CE1-CE2 3.57Å; H62-Y70 AromaticContact CE1-CG 3.59Å; H62-Y70 AromaticContact ND1-CD2 3.97Å; H62-Y70 AromaticContact NE2-CD2 2.76Å; H62-Y70 WeakPolarHBondContact NE2-CD2 3.31Å; H62-Y70 AromaticContact NE2-CE2 2.77Å; H62-Y70 WeakPolarHBondContact NE2-CE2 3.38Å; H62-Y70 AromaticContact NE2-CG 3.69Å; H62-Y70 AromaticContact NE2-CZ 3.69Å |
| 63 | S | 78.6 | Confident | 70.1 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 178.1 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | T59 L60 V61 R261 F280 | T59-S63 WeakPolarHBondContact O-CB 3.37Å; T59-S63 PolarHBondContact O-N 3.48Å; L60-S63 WeakPolarHBondContact O-CA 3.45Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 VanDerWaalsContact O-N 3.09Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 3.44Å; S63-R261 PolarHBondContact O-NH1 3Å; S63-F280 VanDerWaalsContact OG-CZ 3.3Å; S63-F280 WeakPolarHBondContact OG-CZ 3.46Å |
| 64 | L | 77 | Confident | 67.8 | Low | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | -177.3 | -76.8 | 170.2 | 0 | 0 | 0 | 112.8 | L60 V61 L157 F280 L283 R284 L287 | L60-L64 HydrophobicContact CD2-CD1 4.32Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; V61-L64 PolarHBondContact O-N 3.49Å; L64-L157 HydrophobicContact CD1-CD1 4.14Å; L64-F280 HydrophobicContact CD2-CD2 4.34Å; L64-F280 HydrophobicContact CD2-CE2 3.56Å; L64-F280 HydrophobicContact CD2-CZ 3.81Å; L64-F280 HydrophobicContact CG-CE2 3.85Å; L64-F280 HydrophobicContact CG-CZ 4.2Å; L64-L283 HydrophobicContact CD2-CD2 4.42Å; L64-R284 HydrophobicContact CD2-CB 4.15Å; L64-L287 HydrophobicContact CD1-CD1 4.21Å |
| 65 | F | 71.7 | Confident | 66 | Low | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.096 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -97.8 | 8.3 | -171.5 | -63 | -67.9 | 0 | 0 | 0 | 114.4 | L47 V61 T67 I95 L104 I106 I288 | L47-F65 HydrophobicContact CD2-CE2 3.87Å; L47-F65 HydrophobicContact CD2-CZ 4.07Å; V61-F65 HydrophobicContact CG1-CD2 4.49Å; V61-F65 PolarHBondContact O-N 2.91Å; F65-T67 PolarHBondContact O-N 3.35Å; F65-T67 PolarHBondContact O-OG1 3.24Å; F65-I95 HydrophobicContact CD1-CD1 3.88Å; F65-L104 HydrophobicContact CB-CD2 4.43Å; F65-L104 HydrophobicContact CD1-CD2 3.32Å; F65-L104 HydrophobicContact CD2-CD2 3.57Å; F65-L104 HydrophobicContact CE1-CD1 4.08Å; F65-L104 HydrophobicContact CE1-CD2 3.26Å; F65-L104 HydrophobicContact CE1-CG 4.29Å; F65-L104 HydrophobicContact CE2-CD1 4.42Å; F65-L104 HydrophobicContact CE2-CD2 3.52Å; F65-L104 HydrophobicContact CG-CD2 3.47Å; F65-L104 VanDerWaalsContact CG-CD2 3.47Å; F65-L104 HydrophobicContact CZ-CD1 3.8Å; F65-L104 HydrophobicContact CZ-CD2 3.35Å; F65-L104 HydrophobicContact CZ-CG 4.2Å; F65-I106 HydrophobicContact CD2-CD1 3.92Å; F65-I106 HydrophobicContact CE2-CD1 4.18Å; F65-I106 HydrophobicContact CE2-CG1 4.29Å; F65-I288 HydrophobicContact CE1-CD1 4.21Å |
| 66 | L | 65.1 | Low | 63.6 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | 50.8 | 9.6 | 179.6 | -57.1 | 176.6 | 0 | 0 | 0 | 115 | H62 R261 | H62-L66 PolarHBondContact O-N 3.46Å; L66-R261 VanDerWaalsContact CD2-NH1 3.29Å | ||
| 67 | T | 57.3 | Low | 61.4 | Low | 56 Ų | 56 | 66.2 Ų | 66.2 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | trans | -106.5 | 127 | -172.6 | -56.6 | 0 | 0 | 0 | 0 | 107.1 | F65 L69 | F65-T67 PolarHBondContact O-N 3.35Å; F65-T67 PolarHBondContact O-OG1 3.24Å; T67-L69 HydrophobicContact CG2-CD2 3.72Å; T67-L69 HydrophobicContact CG2-CG 4.31Å; T67-L69 PolarHBondContact O-N 2.91Å | ||
| 68 | D | 51.8 | Low | 59.4 | Low | 91 Ų | 91 | 69 Ų | 69 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | trans | -72.5 | 79.1 | 169.9 | -63.8 | -44 | 0 | 0 | 0 | 108.7 | Y70 K71 | D68-Y70 PolarHBondContact O-N 3.06Å; D68-K71 HydrophobicContact CB-CB 4.31Å; D68-K71 HydrophobicContact CB-CD 3.75Å; D68-K71 HydrophobicContact CB-CG 3.52Å; D68-K71 PolarHBondContact O-N 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.37Å; D68-K71 IonicContact OD2-NZ 3.94Å | ||
| 69 | L | 52.4 | Low | 57.6 | Low | 41 Ų | 41 | 75.4 Ų | 75.4 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.7 | 177.9 | -62.3 | 174 | 0 | 0 | 0 | 112.6 | V61 T67 V93 I106 | V61-L69 HydrophobicContact CG1-CD1 3.88Å; T67-L69 HydrophobicContact CG2-CD2 3.72Å; T67-L69 HydrophobicContact CG2-CG 4.31Å; T67-L69 PolarHBondContact O-N 2.91Å; L69-V93 HydrophobicContact CD1-CG2 4.34Å; L69-V93 HydrophobicContact CD2-CB 4.37Å; L69-V93 HydrophobicContact CD2-CG1 4.23Å; L69-V93 HydrophobicContact CD2-CG2 3.23Å; L69-V93 HydrophobicContact CG-CG2 4.41Å; L69-I106 HydrophobicContact CD1-CD1 3.51Å |
| 70 | Y | 53.7 | Low | 55.8 | Low | 42 Ų | 42 | 77.2 Ų | 77.2 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 33 | -176.2 | -60.8 | -107.9 | 0 | 0 | 0 | 111.2 | H62 D68 D72 R73 | H62-Y70 AromaticContact CD2-CD2 3.57Å; H62-Y70 AromaticContact CD2-CE2 3.5Å; H62-Y70 AromaticContact CE1-CD2 3.03Å; H62-Y70 WeakPolarHBondContact CE1-CD2 3.41Å; H62-Y70 AromaticContact CE1-CE2 3.57Å; H62-Y70 AromaticContact CE1-CG 3.59Å; H62-Y70 AromaticContact ND1-CD2 3.97Å; H62-Y70 AromaticContact NE2-CD2 2.76Å; H62-Y70 WeakPolarHBondContact NE2-CD2 3.31Å; H62-Y70 AromaticContact NE2-CE2 2.77Å; H62-Y70 WeakPolarHBondContact NE2-CE2 3.38Å; H62-Y70 AromaticContact NE2-CG 3.69Å; H62-Y70 AromaticContact NE2-CZ 3.69Å; D68-Y70 PolarHBondContact O-N 3.06Å; Y70-D72 PolarHBondContact O-N 3.48Å; Y70-D72 VanDerWaalsContact O-N 3.09Å; Y70-R73 HydrophobicContact CD1-CG 4.08Å; Y70-R73 PolarHBondContact O-N 2.81Å |
| 71 | K | 45.5 | Very low | 53.9 | Low | 161 Ų | 161 | 84.7 Ų | 84.7 | 70% | 0.7 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -29 | 171.5 | -104.9 | 160.6 | -174.5 | 179.8 | 0 | 112.6 | D68 | D68-K71 HydrophobicContact CB-CB 4.31Å; D68-K71 HydrophobicContact CB-CD 3.75Å; D68-K71 HydrophobicContact CB-CG 3.52Å; D68-K71 PolarHBondContact O-N 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.37Å; D68-K71 IonicContact OD2-NZ 3.94Å |
| 72 | D | 42.6 | Very low | 52 | Low | 159 Ų | 159 | 90.5 Ų | 90.5 | 85% | 0.85 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 12.6 | 178.8 | -64.8 | -42 | 0 | 0 | 0 | 114.9 | Y70 K74 | Y70-D72 PolarHBondContact O-N 3.48Å; Y70-D72 VanDerWaalsContact O-N 3.09Å; D72-K74 PolarHBondContact O-N 3.47Å |
| 73 | R | 43.7 | Very low | 50.3 | Low | 157 Ų | 157 | 92.9 Ų | 92.9 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | trans | -69.1 | 90.4 | 166.7 | -110.1 | -173.4 | 175 | -175.6 | 0.1 | 108.3 | Y70 L75 | Y70-R73 HydrophobicContact CD1-CG 4.08Å; Y70-R73 PolarHBondContact O-N 2.81Å; R73-L75 PolarHBondContact O-N 3.4Å | ||
| 74 | K | 37.3 | Very low | 49 | Very low | 173 Ų | 173 | 97.7 Ų | 97.7 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | trans | -45.2 | 136.8 | 149.4 | -75 | -179.9 | 178.2 | 176.1 | 0 | 106.2 | D72 L76 | D72-K74 PolarHBondContact O-N 3.47Å; K74-L76 HydrophobicContact CB-CD2 4.45Å; K74-L76 WeakPolarHBondContact O-CG 3.27Å; K74-L76 PolarHBondContact O-N 3.02Å | ||
| 75 | L | 43.4 | Very low | 47.9 | Very low | 154 Ų | 154 | 98.8 Ų | 98.8 | 81% | 0.806 | 49% | 0.493 | S | S | * | . | trans | -64.4 | 85.4 | 166.1 | -70.5 | 168.5 | 0 | 0 | 0 | 105.7 | R73 | R73-L75 PolarHBondContact O-N 3.4Š| ||
| 76 | L | 37 | Very low | 47.3 | Very low | 67 Ų | 67 | 103.1 Ų | 103.1 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | trans | -56.5 | 144.5 | 177.1 | -68.9 | 170.2 | 0 | 0 | 0 | 107.1 | K74 E80 | K74-L76 HydrophobicContact CB-CD2 4.45Å; K74-L76 WeakPolarHBondContact O-CG 3.27Å; K74-L76 PolarHBondContact O-N 3.02Å; L76-E80 VanDerWaalsContact CA-OE2 3.26Å; L76-E80 WeakPolarHBondContact CA-OE2 3.17Å; L76-E80 HydrophobicContact CB-CB 3.44Å; L76-E80 VanDerWaalsContact CB-CB 3.44Å; L76-E80 HydrophobicContact CB-CG 4.21Å; L76-E80 WeakPolarHBondContact CB-OE2 3.23Å; L76-E80 HydrophobicContact CD1-CB 4.21Å; L76-E80 HydrophobicContact CD2-CB 4.49Å; L76-E80 VanDerWaalsContact CD2-CD 3.44Å; L76-E80 HydrophobicContact CD2-CG 4.46Å; L76-E80 WeakPolarHBondContact CD2-OE1 3.42Å; L76-E80 VanDerWaalsContact CD2-OE2 3.3Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.49Å; L76-E80 HydrophobicContact CG-CB 4.23Å | ||
| 77 | S | 35.6 | Very low | 47.6 | Very low | 54 Ų | 54 | 105.4 Ų | 105.4 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | trans | -52.3 | 161.3 | -177.2 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | E79 E80 R81 | S77-E79 PolarHBondContact O-N 3.45Å; S77-E80 PolarHBondContact N-OE2 3.02Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 PolarHBondContact OG-OE2 2.88Å; S77-R81 PolarHBondContact O-N 3.48Å | ||
| 78 | A | 44 | Very low | 48.7 | Very low | 72 Ų | 72 | 104.7 Ų | 104.7 | 60% | 0.595 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -52.6 | -30.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R81 I82 | A78-R81 WeakPolarHBondContact O-CB 3.5Å; A78-R81 PolarHBondContact O-N 3.09Å; A78-I82 WeakPolarHBondContact O-CD1 3.33Å; A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.47Å; A78-I82 PolarHBondContact O-N 3.39Å; A78-I82 VanDerWaalsContact O-N 3.17Å |
| 79 | E | 43.5 | Very low | 50.2 | Low | 159 Ų | 159 | 103.7 Ų | 103.7 | 74% | 0.743 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | 176.3 | -69.8 | 159.6 | 176 | 0 | 0 | 112.7 | S77 I82 S83 | S77-E79 PolarHBondContact O-N 3.45Å; E79-I82 WeakPolarHBondContact O-CB 3.29Å; E79-I82 PolarHBondContact O-N 3.37Å; E79-S83 PolarHBondContact O-N 2.81Å |
| 80 | E | 44.5 | Very low | 51.8 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -80.3 | -20.7 | 175 | -68.9 | 164.9 | 136.5 | 0 | 0 | 112.2 | L76 S77 S83 | L76-E80 VanDerWaalsContact CA-OE2 3.26Å; L76-E80 WeakPolarHBondContact CA-OE2 3.17Å; L76-E80 HydrophobicContact CB-CB 3.44Å; L76-E80 VanDerWaalsContact CB-CB 3.44Å; L76-E80 HydrophobicContact CB-CG 4.21Å; L76-E80 WeakPolarHBondContact CB-OE2 3.23Å; L76-E80 HydrophobicContact CD1-CB 4.21Å; L76-E80 HydrophobicContact CD2-CB 4.49Å; L76-E80 VanDerWaalsContact CD2-CD 3.44Å; L76-E80 HydrophobicContact CD2-CG 4.46Å; L76-E80 WeakPolarHBondContact CD2-OE1 3.42Å; L76-E80 VanDerWaalsContact CD2-OE2 3.3Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.49Å; L76-E80 HydrophobicContact CG-CB 4.23Å; S77-E80 PolarHBondContact N-OE2 3.02Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 PolarHBondContact OG-OE2 2.88Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 PolarHBondContact O-OG 3.32Å |
| 81 | R | 44.7 | Very low | 53.2 | Low | 160 Ų | 160 | 107 Ų | 107 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -26.1 | 165.7 | -69.3 | -177.4 | -179.2 | 175.8 | -1.3 | 112.4 | S77 A78 S83 | S77-R81 PolarHBondContact O-N 3.48Å; A78-R81 WeakPolarHBondContact O-CB 3.5Å; A78-R81 PolarHBondContact O-N 3.09Å; R81-S83 VanDerWaalsContact C-N 3.27Å |
| 82 | I | 43.6 | Very low | 55.1 | Low | 126 Ų | 126 | 103.2 Ų | 103.2 | 65% | 0.646 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -76.3 | -17.3 | 172.1 | -63 | 160.1 | 0 | 0 | 0 | 110.9 | A78 E79 Q84 | A78-I82 WeakPolarHBondContact O-CD1 3.33Å; A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.47Å; A78-I82 PolarHBondContact O-N 3.39Å; A78-I82 VanDerWaalsContact O-N 3.17Å; E79-I82 WeakPolarHBondContact O-CB 3.29Å; E79-I82 PolarHBondContact O-N 3.37Å; I82-Q84 PolarHBondContact O-N 3.4Å |
| 83 | S | 42.9 | Very low | 57 | Low | 70 Ų | 70 | 96.5 Ų | 96.5 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | trans | -72.3 | 43.5 | 162.6 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | E79 E80 R81 T85 | E79-S83 PolarHBondContact O-N 2.81Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 PolarHBondContact O-OG 3.32Å; R81-S83 VanDerWaalsContact C-N 3.27Å; S83-T85 PolarHBondContact O-N 3.32Å | ||
| 84 | Q | 52.2 | Low | 59 | Low | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | trans | -45 | 107.6 | 164 | -72.9 | 171.6 | -61.8 | 0 | 0 | 107.4 | S53 I82 V86 D114 | S53-Q84 PolarHBondContact OG-NE2 3.27Å; I82-Q84 PolarHBondContact O-N 3.4Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 WeakPolarHBondContact O-CG2 3.25Å; Q84-V86 PolarHBondContact O-N 3.17Å; Q84-D114 PolarHBondContact NE2-OD2 3.04Å | ||
| 85 | T | 53.7 | Low | 61.1 | Low | 26 Ų | 26 | 88.9 Ų | 88.9 | 16% | 0.16 | 47% | 0.466 | C | S | . | . | trans | 5.2 | 73.2 | 178.6 | -0.6 | 0 | 0 | 0 | 0 | 113.9 | S83 E87 L89 P110 | S83-T85 PolarHBondContact O-N 3.32Å; T85-E87 PolarHBondContact O-N 2.88Å; T85-L89 HydrophobicContact CG2-CD1 3.6Å; T85-L89 HydrophobicContact CG2-CG 3.99Å; T85-P110 WeakPolarHBondContact O-CA 3.3Å; T85-P110 WeakPolarHBondContact O-CB 3.38Å | ||
| 86 | V | 60 | Low | 62.9 | Low | 113 Ų | 113 | 87.6 Ų | 87.6 | 69% | 0.685 | 46% | 0.455 | S | S | * | . | trans | -70.5 | -25.5 | -174.5 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | Q84 | Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 WeakPolarHBondContact O-CG2 3.25Å; Q84-V86 PolarHBondContact O-N 3.17Å | ||
| 87 | E | 70.5 | Confident | 64.6 | Low | 144 Ų | 144 | 90.2 Ų | 90.2 | 67% | 0.673 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -119.4 | 156.2 | -178.7 | -63.5 | -178.6 | 174.3 | 0 | 0 | 110.9 | T85 L89 | T85-E87 PolarHBondContact O-N 2.88Å; E87-L89 PolarHBondContact O-N 2.72Å |
| 88 | I | 81.1 | Confident | 66.6 | Low | 40 Ų | 40 | 97.1 Ų | 97.1 | 21% | 0.205 | 49% | 0.489 | C | S | . | . | trans | -69.4 | 110.5 | 174.2 | -61 | 172.8 | 0 | 0 | 0 | 108.2 | V107 D108 P124 I125 Y128 | I88-V107 HydrophobicContact CG2-CG1 3.27Å; I88-D108 WeakPolarHBondContact CA-O 3.16Å; I88-P124 WeakPolarHBondContact CD1-O 3.39Å; I88-I125 HydrophobicContact CD1-CG1 4.45Å; I88-Y128 HydrophobicContact CB-CD2 4.35Å; I88-Y128 HydrophobicContact CB-CE2 4.49Å; I88-Y128 HydrophobicContact CD1-CD2 3.85Å; I88-Y128 HydrophobicContact CD1-CG 3.93Å; I88-Y128 HydrophobicContact CG2-CD2 3.84Å; I88-Y128 HydrophobicContact CG2-CE2 3.67Å; I88-Y128 HydrophobicContact CG2-CG 4.39Å | ||
| 89 | L | 82.3 | Confident | 68.1 | Low | 71 Ų | 71 | 95.5 Ų | 95.5 | 37% | 0.372 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.7 | -179.7 | -64.4 | 179.1 | 0 | 0 | 0 | 110.3 | T85 E87 V107 D108 | T85-L89 HydrophobicContact CG2-CD1 3.6Å; T85-L89 HydrophobicContact CG2-CG 3.99Å; E87-L89 PolarHBondContact O-N 2.72Å; L89-V107 CarbonylContact O-C 3.54Å; L89-V107 WeakPolarHBondContact O-CA 3.34Å; L89-D108 PolarHBondContact N-O 2.87Å; L89-D108 PolarHBondContact O-N 3.4Å |
| 90 | K | 85.8 | Confident | 69.9 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.2 | 171.8 | -51.5 | -167.3 | -159.1 | -139.8 | 0 | 109.6 | I106 Y128 | K90-I106 CarbonylContact C-O 3.44Å; K90-I106 WeakPolarHBondContact CA-O 3.22Å; K90-Y128 HydrophobicContact CD-CE2 4.37Å; K90-Y128 WeakPolarHBondContact CD-OH 3.33Å; K90-Y128 VanDerWaalsContact CE-CE2 3.46Å; K90-Y128 WeakPolarHBondContact CE-OH 3.47Å; K90-Y128 HydrophobicContact CG-CE2 4.44Å; K90-Y128 WeakPolarHBondContact CG-OH 3.04Å; K90-Y128 PolarHBondContact NZ-OH 3.07Å |
| 91 | H | 83.7 | Confident | 71.8 | Confident | 53 Ų | 53 | 92 Ų | 92 | 25% | 0.245 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.5 | 173.1 | -66.7 | -69.3 | 0 | 0 | 0 | 109.5 | T105 I106 | H91-T105 CarbonylContact O-C 3.52Å; H91-T105 WeakPolarHBondContact O-CA 3.35Å; H91-I106 HydrophobicContact CB-CB 4.49Å; H91-I106 PolarHBondContact N-O 2.8Å; H91-I106 PolarHBondContact O-N 3.34Å |
| 92 | T | 85.3 | Confident | 73.7 | Confident | 82 Ų | 82 | 85.5 Ų | 85.5 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.5 | 177 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | K103 L104 T105 | T92-K103 HydrophobicContact CG2-CD 3.9Å; T92-K103 HydrophobicContact CG2-CG 3.53Å; T92-L104 CarbonylContact C-O 3.53Å; T92-L104 WeakPolarHBondContact CA-O 3.32Å; T92-T105 PolarHBondContact OG1-OG1 3.25Å |
| 93 | V | 83.3 | Confident | 75.8 | Confident | 18 Ų | 18 | 83 Ų | 83 | 11% | 0.109 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 122 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 107.5 | L69 I95 L104 I106 | L69-V93 HydrophobicContact CD1-CG2 4.34Å; L69-V93 HydrophobicContact CD2-CB 4.37Å; L69-V93 HydrophobicContact CD2-CG1 4.23Å; L69-V93 HydrophobicContact CD2-CG2 3.23Å; L69-V93 HydrophobicContact CG-CG2 4.41Å; V93-I95 HydrophobicContact CG1-CD1 4.48Å; V93-I95 HydrophobicContact CG1-CG1 3.9Å; V93-L104 HydrophobicContact CB-CB 4.5Å; V93-L104 PolarHBondContact N-O 3.07Å; V93-L104 PolarHBondContact O-N 2.85Å; V93-I106 HydrophobicContact CG2-CD1 4.36Å |
| 94 | D | 84.2 | Confident | 78 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.7 | 171.6 | -65.9 | -37.8 | 0 | 0 | 0 | 108.5 | K103 | D94-K103 WeakPolarHBondContact OD1-CG 3.18Å |
| 95 | I | 81.7 | Confident | 79.7 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131.2 | 178.8 | -56.3 | 174.5 | 0 | 0 | 0 | 107.6 | F65 V93 L102 L104 | F65-I95 HydrophobicContact CD1-CD1 3.88Å; V93-I95 HydrophobicContact CG1-CD1 4.48Å; V93-I95 HydrophobicContact CG1-CG1 3.9Å; I95-L102 HydrophobicContact CB-CB 4.46Å; I95-L102 PolarHBondContact N-O 3.29Å; I95-L102 PolarHBondContact O-N 2.95Å; I95-L104 HydrophobicContact CD1-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 3.9Å |
| 96 | E | 80.6 | Confident | 81.4 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.2 | 174.4 | -171.8 | 172.3 | 160.3 | 0 | 0 | 109.8 | V100 K101 | E96-V100 WeakPolarHBondContact CA-O 3.39Å; E96-K101 HydrophobicContact CG-CG 4.22Å; E96-K101 WeakPolarHBondContact OE2-CE 3.32Å |
| 97 | E | 74.4 | Confident | 82.8 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.9 | 175.6 | -168.8 | 179.4 | 166.2 | 0 | 0 | 110 | G99 V100 | E97-G99 PolarHBondContact O-N 3.41Å; E97-V100 PolarHBondContact N-O 3.27Å; E97-V100 WeakPolarHBondContact O-CB 3.36Å; E97-V100 PolarHBondContact O-N 2.87Å |
| 98 | K | 77.8 | Confident | 83.5 | Confident | 200 Ų | 200 | 62 Ų | 62 | 87% | 0.87 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 33 | 178.1 | -62.6 | 175.1 | -177 | 172.2 | 0 | 114.2 | ||
| 99 | G | 73.9 | Confident | 83.6 | Confident | 37 Ų | 37 | 60 Ų | 60 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V39 E97 | V39-G99 VanDerWaalsContact CG1-O 3.24Å; V39-G99 WeakPolarHBondContact CG1-O 3.2Å; E97-G99 PolarHBondContact O-N 3.41Å |
| 100 | V | 81.5 | Confident | 83.3 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 29% | 0.291 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.2 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | V39 F43 E96 E97 | V39-V100 HydrophobicContact CG2-CG2 4.38Å; F43-V100 HydrophobicContact CD2-CG1 3.59Å; F43-V100 HydrophobicContact CE2-CG1 3.6Å; E96-V100 WeakPolarHBondContact CA-O 3.39Å; E97-V100 PolarHBondContact N-O 3.27Å; E97-V100 WeakPolarHBondContact O-CB 3.36Å; E97-V100 PolarHBondContact O-N 2.87Å |
| 101 | K | 84.5 | Confident | 82.6 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125 | 173.9 | -61.5 | -171.3 | 178.5 | -167.1 | 0 | 110 | G42 F43 E96 | G42-K101 CarbonylContact C-O 3.55Å; G42-K101 WeakPolarHBondContact CA-O 3.47Å; F43-K101 PolarHBondContact N-O 3.27Å; E96-K101 HydrophobicContact CG-CG 4.22Å; E96-K101 WeakPolarHBondContact OE2-CE 3.32Å |
| 102 | L | 85.3 | Confident | 82.2 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.131 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.8 | 173.4 | 176.4 | 69.2 | 0 | 0 | 0 | 108.2 | F43 F45 I95 L104 M292 | F43-L102 HydrophobicContact CB-CD1 3.76Å; F43-L102 CarbonylContact O-C 3.57Å; F43-L102 WeakPolarHBondContact O-CA 3.43Å; F45-L102 HydrophobicContact CB-CD1 3.97Å; I95-L102 HydrophobicContact CB-CB 4.46Å; I95-L102 PolarHBondContact N-O 3.29Å; I95-L102 PolarHBondContact O-N 2.95Å; L102-L104 PolarHBondContact O-N 3.02Å; L102-M292 HydrophobicContact CD1-CE 4.1Å; L102-M292 HydrophobicContact CD1-SD 3.84Å; L102-M292 HydrophobicContact CD2-SD 4.11Å |
| 103 | K | 87.9 | Confident | 81.4 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107.1 | 166.4 | -179.1 | 179.9 | -66.2 | 175.8 | 0 | 108.3 | F43 D44 F45 T92 D94 | F43-K103 PolarHBondContact O-N 3.09Å; D44-K103 WeakPolarHBondContact CA-O 3.49Å; D44-K103 WeakPolarHBondContact OD1-CB 3.44Å; F45-K103 PolarHBondContact N-O 3.48Å; T92-K103 HydrophobicContact CG2-CD 3.9Å; T92-K103 HydrophobicContact CG2-CG 3.53Å; D94-K103 WeakPolarHBondContact OD1-CG 3.18Å |
| 104 | L | 87.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.3 | 177.4 | 175 | 73.5 | 0 | 0 | 0 | 109.5 | F45 F65 T92 V93 I95 L102 I106 | F45-L104 HydrophobicContact CB-CD1 4.49Å; F45-L104 HydrophobicContact CD1-CD1 3.67Å; F45-L104 HydrophobicContact CE1-CD1 4.49Å; F45-L104 CarbonylContact O-C 3.59Å; F45-L104 WeakPolarHBondContact O-CA 3.45Å; F65-L104 HydrophobicContact CB-CD2 4.43Å; F65-L104 HydrophobicContact CD1-CD2 3.32Å; F65-L104 HydrophobicContact CD2-CD2 3.57Å; F65-L104 HydrophobicContact CE1-CD1 4.08Å; F65-L104 HydrophobicContact CE1-CD2 3.26Å; F65-L104 HydrophobicContact CE1-CG 4.29Å; F65-L104 HydrophobicContact CE2-CD1 4.42Å; F65-L104 HydrophobicContact CE2-CD2 3.52Å; F65-L104 HydrophobicContact CG-CD2 3.47Å; F65-L104 VanDerWaalsContact CG-CD2 3.47Å; F65-L104 HydrophobicContact CZ-CD1 3.8Å; F65-L104 HydrophobicContact CZ-CD2 3.35Å; F65-L104 HydrophobicContact CZ-CG 4.2Å; T92-L104 CarbonylContact C-O 3.53Å; T92-L104 WeakPolarHBondContact CA-O 3.32Å; V93-L104 HydrophobicContact CB-CB 4.5Å; V93-L104 PolarHBondContact N-O 3.07Å; V93-L104 PolarHBondContact O-N 2.85Å; I95-L104 HydrophobicContact CD1-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 3.9Å; L102-L104 PolarHBondContact O-N 3.02Å; L104-I106 HydrophobicContact CD2-CD1 3.82Å; L104-I106 HydrophobicContact CD2-CG1 4.02Å; L104-I106 HydrophobicContact CG-CD1 4.32Å; L104-I106 HydrophobicContact CG-CG1 4.07Å |
| 105 | T | 89.7 | Confident | 80.4 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.4 | 170.1 | -61 | 0 | 0 | 0 | 0 | 109.5 | F45 T46 L47 H91 T92 V107 | F45-T105 PolarHBondContact O-N 2.82Å; T46-T105 CarbonylContact C-O 3.56Å; T46-T105 WeakPolarHBondContact CA-O 3.28Å; T46-T105 HydrophobicContact CG2-CG2 4.12Å; L47-T105 PolarHBondContact N-O 3.48Å; H91-T105 CarbonylContact O-C 3.52Å; H91-T105 WeakPolarHBondContact O-CA 3.35Å; T92-T105 PolarHBondContact OG1-OG1 3.25Å; T105-V107 HydrophobicContact CG2-CG2 4.35Å |
| 106 | I | 88.5 | Confident | 80 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.8 | 173.7 | -62 | 146.1 | 0 | 0 | 0 | 108.5 | L47 V61 F65 L69 K90 H91 V93 L104 | L47-I106 CarbonylContact O-C 3.48Å; L47-I106 WeakPolarHBondContact O-CA 3.35Å; V61-I106 HydrophobicContact CG1-CB 4.44Å; V61-I106 HydrophobicContact CG1-CD1 3.55Å; V61-I106 HydrophobicContact CG1-CG1 4.13Å; V61-I106 HydrophobicContact CG1-CG2 3.79Å; V61-I106 HydrophobicContact CG2-CG2 4.11Å; F65-I106 HydrophobicContact CD2-CD1 3.92Å; F65-I106 HydrophobicContact CE2-CD1 4.18Å; F65-I106 HydrophobicContact CE2-CG1 4.29Å; L69-I106 HydrophobicContact CD1-CD1 3.51Å; K90-I106 CarbonylContact C-O 3.44Å; K90-I106 WeakPolarHBondContact CA-O 3.22Å; H91-I106 HydrophobicContact CB-CB 4.49Å; H91-I106 PolarHBondContact N-O 2.8Å; H91-I106 PolarHBondContact O-N 3.34Å; V93-I106 HydrophobicContact CG2-CD1 4.36Å; L104-I106 HydrophobicContact CD2-CD1 3.82Å; L104-I106 HydrophobicContact CD2-CG1 4.02Å; L104-I106 HydrophobicContact CG-CD1 4.32Å; L104-I106 HydrophobicContact CG-CG1 4.07Å |
| 107 | V | 89.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 102.5 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | T46 L47 M48 V49 I88 L89 T105 Y128 | T46-V107 HydrophobicContact CG2-CG2 3.84Å; L47-V107 PolarHBondContact O-N 2.83Å; M48-V107 WeakPolarHBondContact CA-O 3.34Å; M48-V107 HydrophobicContact CB-CB 4.24Å; M48-V107 HydrophobicContact CE-CB 4.38Å; M48-V107 HydrophobicContact CE-CG1 3.75Å; M48-V107 HydrophobicContact CG-CB 4.34Å; M48-V107 HydrophobicContact CG-CG1 4.44Å; V49-V107 PolarHBondContact N-O 2.97Å; I88-V107 HydrophobicContact CG2-CG1 3.27Å; L89-V107 CarbonylContact O-C 3.54Å; L89-V107 WeakPolarHBondContact O-CA 3.34Å; T105-V107 HydrophobicContact CG2-CG2 4.35Å; V107-Y128 HydrophobicContact CG1-CE1 3.83Å; V107-Y128 HydrophobicContact CG1-CE2 4.35Å; V107-Y128 HydrophobicContact CG2-CE1 4.15Å; V107-Y128 VanDerWaalsContact CG2-OH 3.25Å; V107-Y128 WeakPolarHBondContact CG2-OH 3.18Å |
| 108 | D | 85.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.5 | 174.3 | -159.6 | 3.7 | 0 | 0 | 0 | 108.6 | S58 I88 L89 | S58-D108 PolarHBondContact OG-OD2 3.44Å; I88-D108 WeakPolarHBondContact CA-O 3.16Å; L89-D108 PolarHBondContact N-O 2.87Å; L89-D108 PolarHBondContact O-N 3.4Å |
| 109 | T | 82.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -104.1 | 148.9 | -178.8 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | M48 V49 A50 G111 I125 | M48-T109 HydrophobicContact CE-CG2 4.18Å; M48-T109 HydrophobicContact CG-CG2 3.96Å; M48-T109 HydrophobicContact SD-CG2 4.24Å; V49-T109 WeakPolarHBondContact O-CB 3.27Å; V49-T109 PolarHBondContact O-N 3.03Å; V49-T109 PolarHBondContact O-OG1 3.04Å; A50-T109 WeakPolarHBondContact CA-OG1 3.43Å; T109-G111 PolarHBondContact O-N 3.46Å; T109-I125 HydrophobicContact CG2-CD1 3.76Å; T109-I125 HydrophobicContact CG2-CG1 3.83Å | ||
| 110 | P | 76.6 | Confident | 80 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | trans | -45.1 | 137.1 | 168.3 | 4 | -17.2 | 0 | 0 | 0 | 111.3 | T85 F112 | T85-P110 WeakPolarHBondContact O-CA 3.3Å; T85-P110 WeakPolarHBondContact O-CB 3.38Å; P110-F112 PolarHBondContact O-N 2.96Å | ||
| 111 | G | 70 | Confident | 80 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | trans | -62.5 | 119.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K57 T109 | K57-G111 VanDerWaalsContact NZ-CA 3.28Å; T109-G111 PolarHBondContact O-N 3.46Å | ||
| 112 | F | 75.2 | Confident | 80.1 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 169.2 | 166 | 54.8 | -93.8 | 0 | 0 | 0 | 110.1 | G51 E52 S53 P110 C121 Y158 V170 F174 | G51-F112 VanDerWaalsContact C-CE1 3.45Å; E52-F112 VanDerWaalsContact CA-O 3.22Å; E52-F112 WeakPolarHBondContact CA-O 3.41Å; E52-F112 HydrophobicContact CG-CD2 4.1Å; E52-F112 HydrophobicContact CG-CE2 3.98Å; E52-F112 WeakPolarHBondContact CG-O 3.4Å; S53-F112 PolarHBondContact N-O 3.21Å; P110-F112 PolarHBondContact O-N 2.96Å; F112-C121 HydrophobicContact CB-CB 3.81Å; F112-Y158 HydrophobicContact CE1-CE2 4.26Å; F112-Y158 WeakPolarHBondContact CE2-OH 3.45Å; F112-Y158 AromaticContact CZ-CE2 3.7Å; F112-Y158 HydrophobicContact CZ-CE2 3.7Å; F112-Y158 AromaticContact CZ-CZ 3.77Å; F112-Y158 WeakPolarHBondContact CZ-OH 3.24Å; F112-V170 HydrophobicContact CD2-CG1 4Å; F112-V170 HydrophobicContact CE2-CG1 4.22Å; F112-F174 HydrophobicContact CD1-CD2 4.09Å; F112-F174 AromaticContact CD1-CE2 3.78Å; F112-F174 HydrophobicContact CD1-CE2 3.78Å; F112-F174 AromaticContact CE1-CD2 3.75Å; F112-F174 HydrophobicContact CE1-CD2 3.75Å; F112-F174 AromaticContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CG 4.39Å; F112-F174 HydrophobicContact CE1-CZ 4Å; F112-F174 HydrophobicContact CZ-CD2 4.01Å; F112-F174 HydrophobicContact CZ-CE2 4.25Å; F112-F174 HydrophobicContact CZ-CG 4.33Å |
| 113 | G | 68.5 | Low | 80.2 | Confident | 26 Ų | 26 | 47.8 Ų | 47.8 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 94.1 | -10.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N118 | G113-N118 WeakPolarHBondContact CA-OD1 3.36Å; G113-N118 PolarHBondContact N-OD1 3Å; G113-N118 VanDerWaalsContact N-OD1 3.11Å |
| 114 | D | 72.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 47.9 Ų | 47.9 | 51% | 0.508 | 28% | 0.278 | S | S | . | . | trans | -80.2 | -23.4 | 177 | -69.1 | -13.5 | 0 | 0 | 0 | 112.4 | S53 Q84 | S53-D114 WeakPolarHBondContact CB-OD1 3.36Å; S53-D114 WeakPolarHBondContact CB-OD2 3.25Å; S53-D114 PolarHBondContact OG-OD2 2.53Å; Q84-D114 PolarHBondContact NE2-OD2 3.04Å | ||
| 115 | A | 73.7 | Confident | 80.2 | Confident | 54 Ų | 54 | 48 Ų | 48 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81.7 | 148.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N117 N118 | A115-N117 VanDerWaalsContact C-N 3.26Å; A115-N117 PolarHBondContact O-N 3.49Å; A115-N118 PolarHBondContact O-ND2 3.33Å |
| 116 | V | 74.7 | Confident | 80.2 | Confident | 159 Ų | 159 | 48.3 Ų | 48.3 | 96% | 0.964 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -62.6 | -38.4 | 173.2 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 117 | N | 76.5 | Confident | 80.3 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | trans | -109.4 | 108.4 | 174 | -171.1 | 10.5 | 0 | 0 | 0 | 110.1 | A115 T119 | A115-N117 VanDerWaalsContact C-N 3.26Å; A115-N117 PolarHBondContact O-N 3.49Å; N117-T119 VanDerWaalsContact CG-OG1 3.27Å; N117-T119 PolarHBondContact ND2-OG1 2.97Å; N117-T119 WeakPolarHBondContact OD1-CB 3.26Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.45Å; N117-T119 PolarHBondContact OD1-N 2.78Å; N117-T119 PolarHBondContact OD1-OG1 2.98Å | ||
| 118 | N | 75.7 | Confident | 80.4 | Confident | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | trans | -101.5 | 18.1 | 175.3 | -63.2 | -69.2 | 0 | 0 | 0 | 112.3 | G113 A115 E120 C121 | G113-N118 WeakPolarHBondContact CA-OD1 3.36Å; G113-N118 PolarHBondContact N-OD1 3Å; G113-N118 VanDerWaalsContact N-OD1 3.11Å; A115-N118 PolarHBondContact O-ND2 3.33Å; N118-E120 PolarHBondContact O-N 3.09Å; N118-E120 VanDerWaalsContact O-N 3.11Å; N118-C121 PolarHBondContact O-N 3.03Å | ||
| 119 | T | 75.7 | Confident | 80.7 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 121.4 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 108.9 | N117 C121 | N117-T119 VanDerWaalsContact CG-OG1 3.27Å; N117-T119 PolarHBondContact ND2-OG1 2.97Å; N117-T119 WeakPolarHBondContact OD1-CB 3.26Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.45Å; N117-T119 PolarHBondContact OD1-N 2.78Å; N117-T119 PolarHBondContact OD1-OG1 2.98Å; T119-C121 PolarHBondContact O-N 2.8Å |
| 120 | E | 78.8 | Confident | 81.2 | Confident | 95 Ų | 95 | 54.6 Ų | 54.6 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 27.1 | 173.9 | -45.5 | 179.9 | 130.7 | 0 | 0 | 115.8 | N118 W122 K123 | N118-E120 PolarHBondContact O-N 3.09Å; N118-E120 VanDerWaalsContact O-N 3.11Å; E120-W122 HydrophobicContact CG-CZ2 4.41Å; E120-W122 PolarHBondContact O-N 3.17Å; E120-K123 HydrophobicContact CB-CD 3.75Å; E120-K123 HydrophobicContact CB-CG 3.97Å; E120-K123 HydrophobicContact CG-CD 4.41Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.35Å; E120-K123 WeakPolarHBondContact OE1-CE 3.16Å; E120-K123 IonicContact OE1-NZ 2.96Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CE 3.25Å; E120-K123 WeakPolarHBondContact OE2-CE 3.47Å; E120-K123 IonicContact OE2-NZ 2.77Å; E120-K123 PolarHBondContact OE2-NZ 3.17Å |
| 121 | C | 81.6 | Confident | 81.9 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.2 | 175.6 | 64 | 0 | 0 | 0 | 0 | 114.4 | F112 N118 T119 | F112-C121 HydrophobicContact CB-CB 3.81Å; N118-C121 PolarHBondContact O-N 3.03Å; T119-C121 PolarHBondContact O-N 2.8Å |
| 122 | W | 85.3 | Confident | 83 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14.5 | 176.5 | 56.8 | 85.5 | 0 | 0 | 0 | 114 | E120 I125 T126 F174 A177 | E120-W122 HydrophobicContact CG-CZ2 4.41Å; E120-W122 PolarHBondContact O-N 3.17Å; W122-I125 PolarHBondContact O-N 3.21Å; W122-T126 WeakPolarHBondContact O-CB 3.22Å; W122-T126 PolarHBondContact O-N 3.15Å; W122-T126 PolarHBondContact O-OG1 3.29Å; W122-F174 HydrophobicContact CB-CD2 3.58Å; W122-F174 HydrophobicContact CB-CE2 3.85Å; W122-F174 HydrophobicContact CB-CG 4.07Å; W122-A177 HydrophobicContact CB-CB 4.26Å; W122-A177 HydrophobicContact CD2-CB 4.33Å; W122-A177 HydrophobicContact CG-CB 3.71Å |
| 123 | K | 87.4 | Confident | 83.8 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.9 | -52.2 | -176.6 | -82.3 | -177.9 | 176 | 177 | 0 | 113.3 | E120 I125 T126 D127 | E120-K123 HydrophobicContact CB-CD 3.75Å; E120-K123 HydrophobicContact CB-CG 3.97Å; E120-K123 HydrophobicContact CG-CD 4.41Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.35Å; E120-K123 WeakPolarHBondContact OE1-CE 3.16Å; E120-K123 IonicContact OE1-NZ 2.96Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CE 3.25Å; E120-K123 WeakPolarHBondContact OE2-CE 3.47Å; E120-K123 IonicContact OE2-NZ 2.77Å; E120-K123 PolarHBondContact OE2-NZ 3.17Å; K123-I125 PolarHBondContact O-N 3.36Å; K123-I125 VanDerWaalsContact O-N 3.13Å; K123-T126 WeakPolarHBondContact O-CB 3.39Å; K123-T126 PolarHBondContact O-N 2.91Å; K123-T126 VanDerWaalsContact O-N 3.09Å; K123-D127 WeakPolarHBondContact O-CB 3.16Å; K123-D127 PolarHBondContact O-N 3.15Å |
| 124 | P | 87.1 | Confident | 84.9 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.6 | -33 | -179.8 | -24.7 | 35.1 | 0 | 0 | 0 | 113.4 | I88 Y128 | I88-P124 WeakPolarHBondContact CD1-O 3.39Å; P124-Y128 VanDerWaalsContact O-CB 3.26Å; P124-Y128 WeakPolarHBondContact O-CB 3.05Å; P124-Y128 PolarHBondContact O-N 2.65Å |
| 125 | I | 88.9 | Confident | 85.7 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.2 | -40.4 | -179.9 | -66.7 | 171 | 0 | 0 | 0 | 110.5 | M48 I88 T109 W122 K123 Y128 V129 F174 | M48-I125 HydrophobicContact CE-CG2 4Å; M48-I125 HydrophobicContact SD-CG2 3.55Å; M48-I125 VanDerWaalsContact SD-CG2 3.55Å; I88-I125 HydrophobicContact CD1-CG1 4.45Å; T109-I125 HydrophobicContact CG2-CD1 3.76Å; T109-I125 HydrophobicContact CG2-CG1 3.83Å; W122-I125 PolarHBondContact O-N 3.21Å; K123-I125 PolarHBondContact O-N 3.36Å; K123-I125 VanDerWaalsContact O-N 3.13Å; I125-Y128 WeakPolarHBondContact O-CB 3.24Å; I125-Y128 PolarHBondContact O-N 2.77Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.87Å; I125-V129 VanDerWaalsContact O-N 3.07Å; I125-F174 HydrophobicContact CB-CZ 4.29Å; I125-F174 HydrophobicContact CD1-CE2 3.66Å; I125-F174 HydrophobicContact CD1-CZ 3.44Å; I125-F174 VanDerWaalsContact CD1-CZ 3.44Å; I125-F174 HydrophobicContact CG1-CZ 4.44Å; I125-F174 HydrophobicContact CG2-CZ 4.1Å |
| 126 | T | 90.1 | Very high | 86.5 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | W122 K123 Y128 V129 D130 K181 | W122-T126 WeakPolarHBondContact O-CB 3.22Å; W122-T126 PolarHBondContact O-N 3.15Å; W122-T126 PolarHBondContact O-OG1 3.29Å; K123-T126 WeakPolarHBondContact O-CB 3.39Å; K123-T126 PolarHBondContact O-N 2.91Å; K123-T126 VanDerWaalsContact O-N 3.09Å; T126-Y128 VanDerWaalsContact C-N 3.3Å; T126-Y128 PolarHBondContact O-N 2.66Å; T126-V129 PolarHBondContact O-N 3.35Å; T126-D130 PolarHBondContact O-N 3.44Å; T126-K181 HydrophobicContact CG2-CD 4Å |
| 127 | D | 90.3 | Very high | 87.2 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 177.7 | -64.9 | -17.7 | 0 | 0 | 0 | 111 | K123 D130 Q131 | K123-D127 WeakPolarHBondContact O-CB 3.16Å; K123-D127 PolarHBondContact O-N 3.15Å; D127-D130 PolarHBondContact O-N 2.97Å; D127-Q131 WeakPolarHBondContact O-CB 3.44Å; D127-Q131 WeakPolarHBondContact O-CG 3.25Å; D127-Q131 PolarHBondContact O-N 3.5Å |
| 128 | Y | 91.7 | Very high | 87.7 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.1 | 177.2 | -84.2 | 0 | 0 | 0 | 112.3 | M48 I88 K90 V107 P124 I125 T126 Q131 Q132 V153 | M48-Y128 HydrophobicContact CE-CD1 3.49Å; M48-Y128 VanDerWaalsContact CE-CD1 3.49Å; M48-Y128 HydrophobicContact CE-CE1 3.82Å; M48-Y128 HydrophobicContact CE-CG 4.36Å; I88-Y128 HydrophobicContact CB-CD2 4.35Å; I88-Y128 HydrophobicContact CB-CE2 4.49Å; I88-Y128 HydrophobicContact CD1-CD2 3.85Å; I88-Y128 HydrophobicContact CD1-CG 3.93Å; I88-Y128 HydrophobicContact CG2-CD2 3.84Å; I88-Y128 HydrophobicContact CG2-CE2 3.67Å; I88-Y128 HydrophobicContact CG2-CG 4.39Å; K90-Y128 HydrophobicContact CD-CE2 4.37Å; K90-Y128 WeakPolarHBondContact CD-OH 3.33Å; K90-Y128 VanDerWaalsContact CE-CE2 3.46Å; K90-Y128 WeakPolarHBondContact CE-OH 3.47Å; K90-Y128 HydrophobicContact CG-CE2 4.44Å; K90-Y128 WeakPolarHBondContact CG-OH 3.04Å; K90-Y128 PolarHBondContact NZ-OH 3.07Å; V107-Y128 HydrophobicContact CG1-CE1 3.83Å; V107-Y128 HydrophobicContact CG1-CE2 4.35Å; V107-Y128 HydrophobicContact CG2-CE1 4.15Å; V107-Y128 VanDerWaalsContact CG2-OH 3.25Å; V107-Y128 WeakPolarHBondContact CG2-OH 3.18Å; P124-Y128 VanDerWaalsContact O-CB 3.26Å; P124-Y128 WeakPolarHBondContact O-CB 3.05Å; P124-Y128 PolarHBondContact O-N 2.65Å; I125-Y128 WeakPolarHBondContact O-CB 3.24Å; I125-Y128 PolarHBondContact O-N 2.77Å; T126-Y128 VanDerWaalsContact C-N 3.3Å; T126-Y128 PolarHBondContact O-N 2.66Å; Y128-Q131 PolarHBondContact O-N 2.89Å; Y128-Q132 HydrophobicContact CD1-CG 4.14Å; Y128-Q132 HydrophobicContact CE1-CG 3.75Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.09Å; Y128-Q132 PolarHBondContact O-N 3.33Å; Y128-Q132 PolarHBondContact O-NE2 3.17Å; Y128-V153 HydrophobicContact CD1-CG2 4.45Å; Y128-V153 HydrophobicContact CE1-CG2 4.04Å |
| 129 | V | 92.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | M48 I125 T126 Q131 Q132 F133 V153 L178 K181 V182 | M48-V129 HydrophobicContact CE-CG2 4.11Å; M48-V129 HydrophobicContact SD-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.87Å; I125-V129 VanDerWaalsContact O-N 3.07Å; T126-V129 PolarHBondContact O-N 3.35Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.18Å; V129-Q132 PolarHBondContact O-N 2.87Å; V129-Q132 VanDerWaalsContact O-N 3.08Å; V129-F133 HydrophobicContact CG1-CD2 3.91Å; V129-F133 HydrophobicContact CG1-CE2 3.5Å; V129-F133 HydrophobicContact CG1-CZ 4.09Å; V129-F133 PolarHBondContact O-N 3.46Å; V129-V153 HydrophobicContact CG2-CB 4.5Å; V129-V153 HydrophobicContact CG2-CG2 4.14Å; V129-L178 HydrophobicContact CG2-CD1 4.31Å; V129-K181 HydrophobicContact CG1-CB 4.04Å; V129-V182 HydrophobicContact CB-CG2 4.37Å; V129-V182 HydrophobicContact CG1-CG2 3.64Å; V129-V182 HydrophobicContact CG2-CG2 3.78Å |
| 130 | D | 92.1 | Very high | 88.7 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.6 | -71.4 | -18.2 | 0 | 0 | 0 | 111.7 | T126 D127 Q132 F133 E134 K181 | T126-D130 PolarHBondContact O-N 3.44Å; D127-D130 PolarHBondContact O-N 2.97Å; D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 2.98Å; D130-F133 PolarHBondContact O-N 2.93Å; D130-E134 WeakPolarHBondContact O-CB 3.4Å; D130-E134 PolarHBondContact O-N 2.98Å; D130-K181 WeakPolarHBondContact OD1-CD 3.36Å; D130-K181 WeakPolarHBondContact OD1-CE 3.22Å; D130-K181 IonicContact OD1-NZ 2.88Å; D130-K181 PolarHBondContact OD1-NZ 3.01Å; D130-K181 IonicContact OD2-NZ 3.94Å; D130-K181 PolarHBondContact OD2-NZ 3.37Å |
| 131 | Q | 92.4 | Very high | 88.9 | Confident | 113 Ų | 113 | 52 Ų | 52 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -37.4 | 174.5 | -75.6 | 170 | 20.5 | 0 | 0 | 112.3 | D127 Y128 V129 Q135 | D127-Q131 WeakPolarHBondContact O-CB 3.44Å; D127-Q131 WeakPolarHBondContact O-CG 3.25Å; D127-Q131 PolarHBondContact O-N 3.5Å; Y128-Q131 PolarHBondContact O-N 2.89Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.18Å; Q131-Q135 WeakPolarHBondContact O-CB 3.37Å; Q131-Q135 PolarHBondContact O-N 3.28Å |
| 132 | Q | 92.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 52 Ų | 52 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 176.3 | -58.3 | -34 | -78.5 | 0 | 0 | 111.2 | Y128 V129 D130 Y136 N151 | Y128-Q132 HydrophobicContact CD1-CG 4.14Å; Y128-Q132 HydrophobicContact CE1-CG 3.75Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.09Å; Y128-Q132 PolarHBondContact O-N 3.33Å; Y128-Q132 PolarHBondContact O-NE2 3.17Å; V129-Q132 PolarHBondContact O-N 2.87Å; V129-Q132 VanDerWaalsContact O-N 3.08Å; D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 2.98Å; Q132-Y136 WeakPolarHBondContact O-CB 3.17Å; Q132-Y136 PolarHBondContact O-N 3.46Å; Q132-N151 WeakPolarHBondContact CG-O 3.14Å |
| 133 | F | 92.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 174.8 | -69.7 | -36.9 | 0 | 0 | 0 | 112.6 | V129 D130 Y136 F137 R152 K181 T299 H303 Y304 Y307 | V129-F133 HydrophobicContact CG1-CD2 3.91Å; V129-F133 HydrophobicContact CG1-CE2 3.5Å; V129-F133 HydrophobicContact CG1-CZ 4.09Å; V129-F133 PolarHBondContact O-N 3.46Å; D130-F133 PolarHBondContact O-N 2.93Å; F133-Y136 PolarHBondContact O-N 3.47Å; F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.33Å; F133-F137 PolarHBondContact O-N 3.3Å; F133-R152 HydrophobicContact CD1-CB 4.28Å; F133-R152 HydrophobicContact CD1-CG 3.79Å; F133-R152 HydrophobicContact CE1-CB 4.03Å; F133-R152 HydrophobicContact CE1-CG 4.01Å; F133-K181 HydrophobicContact CE2-CB 4.29Å; F133-K181 WeakPolarHBondContact CE2-O 3.4Å; F133-K181 VanDerWaalsContact CZ-O 3.27Å; F133-K181 WeakPolarHBondContact CZ-O 3.23Å; F133-T299 HydrophobicContact CE1-CG2 4.39Å; F133-H303 HydrophobicContact CZ-CB 4.15Å; F133-Y304 AromaticContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CG-CD2 4.49Å; F133-Y307 HydrophobicContact CB-CD1 3.58Å; F133-Y307 HydrophobicContact CB-CD2 4.31Å; F133-Y307 HydrophobicContact CB-CE1 3.64Å; F133-Y307 HydrophobicContact CB-CE2 4.37Å; F133-Y307 HydrophobicContact CB-CG 3.92Å; F133-Y307 HydrophobicContact CD2-CD2 4.22Å; F133-Y307 HydrophobicContact CD2-CG 4.12Å; F133-Y307 HydrophobicContact CG-CD1 4.36Å; F133-Y307 HydrophobicContact CG-CG 4.3Å |
| 134 | E | 90.6 | Very high | 87.6 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.7 | -169.9 | -179.2 | -175.9 | 0 | 0 | 111.5 | D130 Y136 F137 R138 | D130-E134 WeakPolarHBondContact O-CB 3.4Å; D130-E134 PolarHBondContact O-N 2.98Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.38Å; E134-F137 PolarHBondContact O-N 2.92Å; E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 3.59Å; E134-R138 IonicContact OE1-NE 3.3Å; E134-R138 PolarHBondContact OE1-NE 3.25Å; E134-R138 IonicContact OE1-NH2 3.02Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å; E134-R138 IonicContact OE2-NH2 3.97Å |
| 135 | Q | 89.7 | Confident | 87.1 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 176.4 | -177.6 | 57.9 | 42.5 | 0 | 0 | 110.9 | Q131 F137 R138 D139 | Q131-Q135 WeakPolarHBondContact O-CB 3.37Å; Q131-Q135 PolarHBondContact O-N 3.28Å; Q135-F137 PolarHBondContact O-N 3.04Å; Q135-R138 PolarHBondContact O-N 2.99Å; Q135-D139 VanDerWaalsContact NE2-CG 3.35Å; Q135-D139 PolarHBondContact NE2-OD1 3.1Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 VanDerWaalsContact O-CG 3.29Å; Q135-D139 PolarHBondContact O-N 3.27Å |
| 136 | Y | 90.5 | Very high | 86.3 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.4 | -169.5 | -84.9 | 0 | 0 | 0 | 112 | Q132 F133 E134 R138 D139 E140 I148 D150 R152 Y304 | Q132-Y136 WeakPolarHBondContact O-CB 3.17Å; Q132-Y136 PolarHBondContact O-N 3.46Å; F133-Y136 PolarHBondContact O-N 3.47Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.38Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.04Å; Y136-D139 PolarHBondContact O-N 2.91Å; Y136-E140 WeakPolarHBondContact O-CB 3.37Å; Y136-E140 PolarHBondContact O-N 2.99Å; Y136-I148 HydrophobicContact CD2-CG2 3.91Å; Y136-I148 HydrophobicContact CE2-CG2 3.67Å; Y136-D150 HydrophobicContact CE2-CB 4.43Å; Y136-R152 HydrophobicContact CD2-CG 4.11Å; Y136-R152 HydrophobicContact CG-CG 4.12Å; Y136-Y304 HydrophobicContact CD1-CD2 4.21Å; Y136-Y304 AromaticContact CD1-CE1 3.98Å; Y136-Y304 HydrophobicContact CD1-CE1 3.98Å; Y136-Y304 AromaticContact CD1-CE2 3.53Å; Y136-Y304 HydrophobicContact CD1-CE2 3.53Å; Y136-Y304 AromaticContact CD1-CZ 3.41Å; Y136-Y304 VanDerWaalsContact CD1-CZ 3.41Å; Y136-Y304 WeakPolarHBondContact CD1-OH 3.33Å; Y136-Y304 HydrophobicContact CE1-CD1 4.46Å; Y136-Y304 AromaticContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE2 4.25Å; Y136-Y304 AromaticContact CE1-CZ 3.78Å; Y136-Y304 HydrophobicContact CG-CE2 4.37Å |
| 137 | F | 89.1 | Confident | 85.5 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -39 | 177.3 | 178.2 | -99.9 | 0 | 0 | 0 | 112.7 | F133 E134 Q135 S141 Y304 R308 I312 M315 | F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.33Å; F133-F137 PolarHBondContact O-N 3.3Å; E134-F137 PolarHBondContact O-N 2.92Å; Q135-F137 PolarHBondContact O-N 3.04Å; F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.03Å; F137-S141 PolarHBondContact O-N 3.32Å; F137-S141 PolarHBondContact O-OG 3.04Å; F137-Y304 WeakPolarHBondContact CA-OH 3.31Å; F137-Y304 HydrophobicContact CB-CE2 4.36Å; F137-R308 HydrophobicContact CD2-CG 4.07Å; F137-R308 HydrophobicContact CE2-CG 3.92Å; F137-I312 HydrophobicContact CE2-CG1 4.47Å; F137-I312 HydrophobicContact CZ-CG1 4.49Å; F137-M315 HydrophobicContact CE1-CE 3.83Å; F137-M315 HydrophobicContact CE1-SD 4.37Å; F137-M315 HydrophobicContact CZ-CE 4.49Å; F137-M315 HydrophobicContact CZ-SD 4.48Å |
| 138 | R | 87 | Confident | 85 | Confident | 143 Ų | 143 | 77.9 Ų | 77.9 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 173.9 | -71.9 | 176.4 | -174.1 | -166.4 | 4.4 | 111.5 | E134 Q135 Y136 S141 G142 | E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 3.59Å; E134-R138 IonicContact OE1-NE 3.3Å; E134-R138 PolarHBondContact OE1-NE 3.25Å; E134-R138 IonicContact OE1-NH2 3.02Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å; E134-R138 IonicContact OE2-NH2 3.97Å; Q135-R138 PolarHBondContact O-N 2.99Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.04Å; R138-S141 PolarHBondContact O-N 3.11Å; R138-G142 PolarHBondContact O-N 3.29Å |
| 139 | D | 87 | Confident | 84.4 | Confident | 58 Ų | 58 | 82.2 Ų | 82.2 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.1 | -34.8 | 179.6 | -68.3 | -25.2 | 0 | 0 | 0 | 112.2 | Q135 Y136 I148 | Q135-D139 VanDerWaalsContact NE2-CG 3.35Å; Q135-D139 PolarHBondContact NE2-OD1 3.1Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 VanDerWaalsContact O-CG 3.29Å; Q135-D139 PolarHBondContact O-N 3.27Å; Y136-D139 PolarHBondContact O-N 2.91Å; D139-I148 HydrophobicContact CB-CG1 4.41Å; D139-I148 HydrophobicContact CB-CG2 4.13Å |
| 140 | E | 85.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 172.8 | -171.5 | -174.6 | -172.4 | 0 | 0 | 112 | Y136 G142 R145 I148 Y304 | Y136-E140 WeakPolarHBondContact O-CB 3.37Å; Y136-E140 PolarHBondContact O-N 2.99Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.11Å; E140-R145 PolarHBondContact O-NE 2.88Å; E140-I148 HydrophobicContact CB-CD1 4.47Å; E140-Y304 PolarHBondContact OE2-OH 2.89Å |
| 141 | S | 84 | Confident | 83.9 | Confident | 68 Ų | 68 | 83.9 Ų | 83.9 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -70 | -25.5 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | F137 R138 | F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.03Å; F137-S141 PolarHBondContact O-N 3.32Å; F137-S141 PolarHBondContact O-OG 3.04Å; R138-S141 PolarHBondContact O-N 3.11Å |
| 142 | G | 79.6 | Confident | 83.9 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 29% | 0.289 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -64.8 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R138 E140 R145 | R138-G142 PolarHBondContact O-N 3.29Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.11Å; G142-R145 PolarHBondContact O-NE 2.86Å |
| 143 | L | 75.6 | Confident | 83.9 | Confident | 168 Ų | 168 | 77.9 Ų | 77.9 | 88% | 0.88 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -75.2 | -28.3 | -178.3 | -62.6 | 172 | 0 | 0 | 0 | 112.7 | R145 | L143-R145 PolarHBondContact O-N 3.32Š|
| 144 | N | 71 | Confident | 83.9 | Confident | 148 Ų | 148 | 77.8 Ų | 77.8 | 79% | 0.791 | 38% | 0.379 | S | S | * | . | trans | -98 | 61.8 | -172.7 | -77.3 | -21.8 | 0 | 0 | 0 | 113.6 | K146 | N144-K146 PolarHBondContact O-N 3.46Å; N144-K146 VanDerWaalsContact O-N 3.11Å | ||
| 145 | R | 77.7 | Confident | 84 | Confident | 170 Ų | 170 | 74.2 Ų | 74.2 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -69 | -7.9 | -177.3 | -58.5 | -178.2 | -177.1 | 171.4 | 1.7 | 115.8 | E140 G142 L143 I148 | E140-R145 PolarHBondContact O-NE 2.88Å; G142-R145 PolarHBondContact O-NE 2.86Å; L143-R145 PolarHBondContact O-N 3.32Å; R145-I148 HydrophobicContact CB-CD1 4.46Å |
| 146 | K | 71.2 | Confident | 84.2 | Confident | 211 Ų | 211 | 70.3 Ų | 70.3 | 92% | 0.917 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -77.7 | -22.3 | -170.4 | -69 | -174.8 | -180 | 177 | 0 | 114.2 | N144 | N144-K146 PolarHBondContact O-N 3.46Å; N144-K146 VanDerWaalsContact O-N 3.11Å |
| 147 | N | 73.3 | Confident | 84.3 | Confident | 135 Ų | 135 | 68.1 Ų | 68.1 | 72% | 0.722 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -136.3 | 47.9 | -173.4 | -163.4 | 55.3 | 0 | 0 | 0 | 112.1 | Q149 | N147-Q149 PolarHBondContact O-N 3Š|
| 148 | I | 79.7 | Confident | 84.5 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | trans | -70.5 | 125.7 | 174.7 | -56.8 | 171.2 | 0 | 0 | 0 | 108.1 | Y136 D139 E140 R145 | Y136-I148 HydrophobicContact CD2-CG2 3.91Å; Y136-I148 HydrophobicContact CE2-CG2 3.67Å; D139-I148 HydrophobicContact CB-CG1 4.41Å; D139-I148 HydrophobicContact CB-CG2 4.13Å; E140-I148 HydrophobicContact CB-CD1 4.47Å; R145-I148 HydrophobicContact CB-CD1 4.46Å | ||
| 149 | Q | 79.5 | Confident | 84.8 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | trans | -89.6 | 127.8 | 172.8 | -67.8 | -174.9 | -18.2 | 0 | 0 | 109.2 | N147 N151 | N147-Q149 PolarHBondContact O-N 3Å; Q149-N151 PolarHBondContact O-N 3.14Å | ||
| 150 | D | 86.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | trans | -87.8 | 96.8 | -178.7 | -163 | -4.4 | 0 | 0 | 0 | 110.6 | D44 Y136 R152 H154 K296 | D44-D150 HydrophobicContact CB-CB 4.4Å; Y136-D150 HydrophobicContact CE2-CB 4.43Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.81Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 3.33Å; D150-R152 PolarHBondContact OD1-NE 2.75Å; D150-R152 IonicContact OD1-NH2 3.72Å; D150-R152 PolarHBondContact OD1-NH2 3.19Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.36Å; D150-R152 IonicContact OD2-NH2 2.66Å; D150-R152 PolarHBondContact OD2-NH2 3.03Å; D150-H154 IonicContact OD2-CE1 3.7Å; D150-H154 IonicContact OD2-NE2 3.55Å; D150-H154 PolarHBondContact OD2-NE2 2.83Å; D150-K296 VanDerWaalsContact OD2-CE 3.26Å; D150-K296 WeakPolarHBondContact OD2-CE 3.36Å; D150-K296 IonicContact OD2-NZ 2.81Å; D150-K296 PolarHBondContact OD2-NZ 3.48Å | ||
| 151 | N | 86.7 | Confident | 85.3 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | trans | -98.9 | 9.2 | 176 | -65.5 | -51.6 | 0 | 0 | 0 | 112.7 | Q132 Q149 | Q132-N151 WeakPolarHBondContact CG-O 3.14Å; Q149-N151 PolarHBondContact O-N 3.14Å | ||
| 152 | R | 92.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.8 | 143.2 | -179.1 | -62.8 | 175.3 | -66 | 172.4 | 6.8 | 109.8 | T46 F133 Y136 D150 H154 C300 | T46-R152 WeakPolarHBondContact CB-O 3.43Å; T46-R152 PolarHBondContact OG1-O 2.81Å; F133-R152 HydrophobicContact CD1-CB 4.28Å; F133-R152 HydrophobicContact CD1-CG 3.79Å; F133-R152 HydrophobicContact CE1-CB 4.03Å; F133-R152 HydrophobicContact CE1-CG 4.01Å; Y136-R152 HydrophobicContact CD2-CG 4.11Å; Y136-R152 HydrophobicContact CG-CG 4.12Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.81Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 3.33Å; D150-R152 PolarHBondContact OD1-NE 2.75Å; D150-R152 IonicContact OD1-NH2 3.72Å; D150-R152 PolarHBondContact OD1-NH2 3.19Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.36Å; D150-R152 IonicContact OD2-NH2 2.66Å; D150-R152 PolarHBondContact OD2-NH2 3.03Å; R152-H154 PolarHBondContact O-CE1 2.94Å; R152-H154 VanDerWaalsContact O-CE1 3.27Å; R152-H154 PolarHBondContact O-N 3.11Å; R152-H154 PolarHBondContact O-ND1 2.48Å; R152-C300 PolarHBondContact NH2-SG 3.33Å |
| 153 | V | 93.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -75 | 113.6 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | T46 M48 Y128 V129 V182 | T46-V153 HydrophobicContact CG2-CG2 4.4Å; M48-V153 HydrophobicContact CB-CG1 3.44Å; M48-V153 VanDerWaalsContact CB-CG1 3.44Å; M48-V153 HydrophobicContact CB-CG2 4.48Å; M48-V153 HydrophobicContact CE-CG2 4.03Å; M48-V153 HydrophobicContact SD-CG1 4.42Å; Y128-V153 HydrophobicContact CD1-CG2 4.45Å; Y128-V153 HydrophobicContact CE1-CG2 4.04Å; V129-V153 HydrophobicContact CG2-CB 4.5Å; V129-V153 HydrophobicContact CG2-CG2 4.14Å; V153-V182 HydrophobicContact CB-CG1 4.36Å; V153-V182 HydrophobicContact CB-CG2 4.33Å; V153-V182 HydrophobicContact CG1-CG1 3.72Å; V153-V182 HydrophobicContact CG1-CG2 4.37Å | ||
| 154 | H | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -85.3 | -32.4 | -175.2 | -60.1 | 88 | 0 | 0 | 0 | 112.1 | F45 T46 D150 R152 N183 T299 | F45-H154 HydrophobicContact CD2-CB 3.88Å; F45-H154 HydrophobicContact CE2-CB 3.65Å; F45-H154 HydrophobicContact CZ-CB 4.41Å; T46-H154 PolarHBondContact N-ND1 3.36Å; T46-H154 PolarHBondContact O-N 2.94Å; D150-H154 IonicContact OD2-CE1 3.7Å; D150-H154 IonicContact OD2-NE2 3.55Å; D150-H154 PolarHBondContact OD2-NE2 2.83Å; R152-H154 PolarHBondContact O-CE1 2.94Å; R152-H154 VanDerWaalsContact O-CE1 3.27Å; R152-H154 PolarHBondContact O-N 3.11Å; R152-H154 PolarHBondContact O-ND1 2.48Å; H154-N183 PolarHBondContact O-ND2 3.38Å; H154-T299 WeakPolarHBondContact CA-OG1 2.9Å; H154-T299 PolarHBondContact O-OG1 2.9Å | ||
| 155 | C | 92.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 136.4 | -179.1 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | F45 T46 L47 M48 L295 | F45-C155 HydrophobicContact CZ-CB 4.01Å; T46-C155 PolarHBondContact O-N 2.87Å; L47-C155 HydrophobicContact CD1-CB 3.91Å; M48-C155 PolarHBondContact N-O 2.67Å; C155-L295 HydrophobicContact CB-CD1 4.12Å; C155-L295 HydrophobicContact CB-CD2 4.24Å |
| 156 | C | 93.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.3 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 110 | M48 Y158 L178 V182 N183 V185 | M48-C156 HydrophobicContact CB-CB 4.46Å; M48-C156 CarbonylContact O-C 3.6Å; M48-C156 WeakPolarHBondContact O-CA 3.19Å; C156-Y158 PolarHBondContact O-N 3.29Å; C156-L178 HydrophobicContact CB-CD2 3.93Å; C156-L178 VanDerWaalsContact SG-CD2 3.52Å; C156-V182 HydrophobicContact CB-CB 4.45Å; C156-V182 HydrophobicContact CB-CG1 3.7Å; C156-N183 PolarHBondContact N-O 3.12Å; C156-V185 PolarHBondContact O-N 3.36Å |
| 157 | L | 93.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.4 | 168.7 | -59.3 | -175.4 | 0 | 0 | 0 | 108.8 | L47 M48 V49 A50 L64 F159 V185 L187 L283 L287 | L47-L157 HydrophobicContact CD1-CD1 4.07Å; L47-L157 HydrophobicContact CD1-CD2 4.25Å; L47-L157 HydrophobicContact CD1-CG 3.77Å; L47-L157 HydrophobicContact CD2-CD1 3.86Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; L47-L157 HydrophobicContact CG-CD1 4.25Å; L47-L157 HydrophobicContact CG-CG 4.29Å; M48-L157 PolarHBondContact O-N 3.31Å; V49-L157 HydrophobicContact CG2-CB 4.32Å; V49-L157 HydrophobicContact CG2-CD1 4.36Å; A50-L157 PolarHBondContact N-O 3.06Å; A50-L157 VanDerWaalsContact O-O 3.14Å; L64-L157 HydrophobicContact CD1-CD1 4.14Å; L157-F159 HydrophobicContact CB-CE2 3.98Å; L157-V185 HydrophobicContact CD2-CB 3.89Å; L157-V185 HydrophobicContact CD2-CG1 4.21Å; L157-L187 HydrophobicContact CB-CD1 3.85Å; L157-L187 HydrophobicContact CD1-CD1 4.06Å; L157-L187 HydrophobicContact CD2-CD1 4.15Å; L157-L187 HydrophobicContact CG-CD1 4.23Å; L157-L283 HydrophobicContact CD2-CD1 4.33Å; L157-L287 HydrophobicContact CD1-CD1 4.1Å; L157-L287 HydrophobicContact CD2-CD1 4.17Å; L157-L287 HydrophobicContact CD2-CD2 4.22Å |
| 158 | Y | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.3 | 179.9 | -168.8 | -93.6 | 0 | 0 | 0 | 110.9 | A50 F112 C156 I160 D171 F174 M175 V185 L187 | A50-Y158 HydrophobicContact CB-CD2 4.17Å; A50-Y158 WeakPolarHBondContact O-CA 3.37Å; F112-Y158 HydrophobicContact CE1-CE2 4.26Å; F112-Y158 WeakPolarHBondContact CE2-OH 3.45Å; F112-Y158 AromaticContact CZ-CE2 3.7Å; F112-Y158 HydrophobicContact CZ-CE2 3.7Å; F112-Y158 AromaticContact CZ-CZ 3.77Å; F112-Y158 WeakPolarHBondContact CZ-OH 3.24Å; C156-Y158 PolarHBondContact O-N 3.29Å; Y158-I160 HydrophobicContact CD1-CG1 3.81Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; Y158-I160 PolarHBondContact O-N 3.08Å; Y158-D171 HydrophobicContact CE1-CB 3.98Å; Y158-D171 WeakPolarHBondContact OH-CA 3.35Å; Y158-D171 WeakPolarHBondContact OH-CB 3.3Å; Y158-D171 PolarHBondContact OH-OD1 3.39Å; Y158-F174 AromaticContact CD2-CD1 3.77Å; Y158-F174 HydrophobicContact CD2-CD1 3.77Å; Y158-F174 AromaticContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CE2-CB 4.13Å; Y158-F174 AromaticContact CE2-CD1 3.23Å; Y158-F174 HydrophobicContact CE2-CD1 3.23Å; Y158-F174 AromaticContact CE2-CE1 3.68Å; Y158-F174 HydrophobicContact CE2-CE1 3.68Å; Y158-F174 AromaticContact CE2-CG 3.73Å; Y158-F174 HydrophobicContact CE2-CG 3.73Å; Y158-M175 HydrophobicContact CD1-CG 4.05Å; Y158-M175 HydrophobicContact CD1-SD 4.01Å; Y158-M175 HydrophobicContact CD2-CG 4.39Å; Y158-M175 HydrophobicContact CE1-CG 4.08Å; Y158-M175 HydrophobicContact CE1-SD 4.15Å; Y158-M175 HydrophobicContact CE2-CG 4.41Å; Y158-M175 HydrophobicContact CG-CG 4.21Å; Y158-V185 PolarHBondContact N-O 3.03Å; Y158-L187 PolarHBondContact O-N 2.84Å |
| 159 | F | 93.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 111.7 | -177.9 | -71.3 | -116.8 | 0 | 0 | 0 | 110.2 | V49 A50 L55 K57 L60 L157 L187 A189 | V49-F159 HydrophobicContact CB-CE2 4.4Å; V49-F159 HydrophobicContact CG1-CD2 3.94Å; V49-F159 HydrophobicContact CG1-CE2 3.36Å; V49-F159 HydrophobicContact CG1-CZ 4.05Å; V49-F159 HydrophobicContact CG2-CE2 4.43Å; A50-F159 WeakPolarHBondContact O-CD2 3.44Å; A50-F159 PolarHBondContact O-N 3.31Å; L55-F159 HydrophobicContact CB-CB 4.31Å; L55-F159 HydrophobicContact CB-CD1 4.48Å; L55-F159 HydrophobicContact CD1-CB 3.75Å; L55-F159 VanDerWaalsContact CD1-O 3.24Å; L55-F159 WeakPolarHBondContact CD1-O 3.43Å; K57-F159 HydrophobicContact CB-CZ 4.5Å; K57-F159 HydrophobicContact CD-CD2 4.5Å; K57-F159 HydrophobicContact CG-CD1 4.22Å; K57-F159 HydrophobicContact CG-CD2 4.03Å; K57-F159 HydrophobicContact CG-CE1 4.39Å; K57-F159 HydrophobicContact CG-CE2 4.25Å; K57-F159 HydrophobicContact CG-CG 4.01Å; K57-F159 HydrophobicContact CG-CZ 4.38Å; L60-F159 HydrophobicContact CB-CE1 3.91Å; L60-F159 HydrophobicContact CB-CZ 3.78Å; L60-F159 HydrophobicContact CD2-CE1 3.61Å; L60-F159 HydrophobicContact CD2-CE2 4.26Å; L60-F159 HydrophobicContact CD2-CZ 3.27Å; L60-F159 HydrophobicContact CG-CE1 4.34Å; L60-F159 HydrophobicContact CG-CZ 4.12Å; L157-F159 HydrophobicContact CB-CE2 3.98Å; F159-L187 HydrophobicContact CE2-CD1 4.13Å; F159-L187 HydrophobicContact CZ-CD1 4.25Å; F159-A189 HydrophobicContact CB-CB 4.36Å; F159-A189 HydrophobicContact CD1-CB 3.93Å |
| 160 | I | 92.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.5 | 173.6 | -57.1 | 169.1 | 0 | 0 | 0 | 108.3 | Y158 L167 P186 L187 A189 I206 | Y158-I160 HydrophobicContact CD1-CG1 3.81Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; Y158-I160 PolarHBondContact O-N 3.08Å; I160-L167 HydrophobicContact CD1-CD2 3.68Å; I160-L167 HydrophobicContact CG1-CD2 4.13Å; I160-L167 HydrophobicContact CG2-CD2 4.21Å; I160-P186 HydrophobicContact CD1-CB 3.82Å; I160-L187 PolarHBondContact N-O 3.08Å; I160-A189 WeakPolarHBondContact O-CB 3.16Å; I160-A189 PolarHBondContact O-N 3.31Å; I160-I206 HydrophobicContact CD1-CD1 4.07Å; I160-I206 HydrophobicContact CD1-CG2 4.02Å; I160-I206 HydrophobicContact CG2-CD1 4.11Å |
| 161 | S | 90.3 | Very high | 89 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | trans | -66.9 | 134.4 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | F163 R168 | S161-F163 PolarHBondContact O-N 2.88Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; S161-F163 PolarHBondContact OG-N 3.12Å; S161-R168 VanDerWaalsContact CB-NH2 3.28Å | ||
| 162 | P | 88.7 | Confident | 89.2 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -12 | 178.9 | 33.1 | -37.7 | 0 | 0 | 0 | 113 | G164 I188 A189 K190 L194 | P162-G164 VanDerWaalsContact C-N 3.26Å; P162-G164 PolarHBondContact O-N 3.48Å; P162-I188 HydrophobicContact CB-CG2 4.32Å; P162-A189 WeakPolarHBondContact CB-O 3.45Å; P162-A189 WeakPolarHBondContact CD-O 3.43Å; P162-A189 VanDerWaalsContact CG-O 3.26Å; P162-A189 WeakPolarHBondContact CG-O 3.41Å; P162-K190 HydrophobicContact CG-CB 4.22Å; P162-L194 HydrophobicContact CB-CD1 3.82Å; P162-L194 HydrophobicContact CB-CG 4.13Å |
| 163 | F | 83.7 | Confident | 89 | Confident | 149 Ų | 149 | 29.5 Ų | 29.5 | 65% | 0.654 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.6 | -176.1 | -55.5 | -66.4 | 0 | 0 | 0 | 113.2 | S161 | S161-F163 PolarHBondContact O-N 2.88Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; S161-F163 PolarHBondContact OG-N 3.12Å |
| 164 | G | 73.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 29.6 Ų | 29.6 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | trans | -79.3 | 151.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | P162 L202 | P162-G164 VanDerWaalsContact C-N 3.26Å; P162-G164 PolarHBondContact O-N 3.48Å; G164-L202 WeakPolarHBondContact O-CD1 3.5Å | ||
| 165 | H | 83.6 | Confident | 88.8 | Confident | 160 Ų | 160 | 29.6 Ų | 29.6 | 74% | 0.741 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -80.1 | -9.4 | 164.6 | -67 | -45.8 | 0 | 0 | 0 | 113 | R205 | H165-R205 WeakPolarHBondContact O-CD 3.49Å; H165-R205 PolarHBondContact O-NH1 3.25Å |
| 166 | G | 84.9 | Confident | 88.8 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -176 | -166 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 167 | L | 89.1 | Confident | 88.6 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | trans | -68.7 | 132.4 | 171.1 | -63.4 | 175.8 | 0 | 0 | 0 | 110.2 | I160 V172 M175 I206 E209 I210 | I160-L167 HydrophobicContact CD1-CD2 3.68Å; I160-L167 HydrophobicContact CG1-CD2 4.13Å; I160-L167 HydrophobicContact CG2-CD2 4.21Å; L167-V172 HydrophobicContact CB-CG2 3.83Å; L167-V172 HydrophobicContact CD1-CG2 4.34Å; L167-M175 HydrophobicContact CD2-SD 4.46Å; L167-I206 HydrophobicContact CD2-CG1 4.26Å; L167-I206 HydrophobicContact CD2-CG2 4.09Å; L167-I206 HydrophobicContact CG-CG1 4.39Å; L167-I206 HydrophobicContact CG-CG2 4.33Å; L167-E209 WeakPolarHBondContact CA-OE2 3.2Å; L167-E209 WeakPolarHBondContact CB-OE2 3.46Å; L167-E209 HydrophobicContact CD1-CB 4.06Å; L167-E209 HydrophobicContact CG-CB 4.43Å; L167-E209 PolarHBondContact N-OE2 3.31Å; L167-I210 HydrophobicContact CD1-CG1 3.92Å | ||
| 168 | R | 88.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 35 Ų | 35 | 24% | 0.242 | 19% | 0.189 | C | C | . | . | trans | -77.3 | 156 | 174.3 | -64.4 | 172.3 | -65.9 | -162.7 | -4.2 | 110.2 | E52 S161 V170 D171 V172 | E52-R168 IonicContact OE1-CZ 3.63Å; E52-R168 IonicContact OE1-NE 2.94Å; E52-R168 IonicContact OE1-NH1 2.74Å; E52-R168 PolarHBondContact OE1-NH1 3.06Å; E52-R168 IonicContact OE1-NH2 2.72Å; E52-R168 PolarHBondContact OE1-NH2 2.94Å; E52-R168 IonicContact OE2-CZ 3.36Å; E52-R168 IonicContact OE2-NH1 2.61Å; E52-R168 PolarHBondContact OE2-NH1 2.61Å; E52-R168 IonicContact OE2-NH2 3.3Å; E52-R168 PolarHBondContact OE2-NH2 3.38Å; S161-R168 VanDerWaalsContact CB-NH2 3.28Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-V170 VanDerWaalsContact O-N 3.12Å; R168-D171 WeakPolarHBondContact CB-OD2 3.4Å; R168-D171 IonicContact CZ-OD2 2.67Å; R168-D171 PolarHBondContact N-OD2 2.9Å; R168-D171 IonicContact NE-OD2 2.75Å; R168-D171 PolarHBondContact NE-OD2 3.3Å; R168-D171 IonicContact NH2-OD1 3.34Å; R168-D171 IonicContact NH2-OD2 2.77Å; R168-D171 PolarHBondContact NH2-OD2 3.33Å; R168-D171 WeakPolarHBondContact O-CA 3.42Å; R168-D171 WeakPolarHBondContact O-CB 3.26Å; R168-D171 PolarHBondContact O-N 3.01Å; R168-V172 WeakPolarHBondContact O-CG2 3.23Å; R168-V172 PolarHBondContact O-N 2.83Å | ||
| 169 | P | 87.7 | Confident | 88.3 | Confident | 115 Ų | 115 | 36.1 Ų | 36.1 | 75% | 0.747 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -54.7 | -33.8 | 176.8 | -27.7 | 35.6 | 0 | 0 | 0 | 114 | V172 G173 | P169-V172 PolarHBondContact O-N 2.96Å; P169-G173 PolarHBondContact O-N 3.11Å |
| 170 | V | 87.7 | Confident | 88.1 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 26% | 0.255 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | F112 R168 G173 F174 | F112-V170 HydrophobicContact CD2-CG1 4Å; F112-V170 HydrophobicContact CE2-CG1 4.22Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-V170 VanDerWaalsContact O-N 3.12Å; V170-G173 PolarHBondContact O-N 3.48Å; V170-F174 WeakPolarHBondContact O-CB 3.47Å; V170-F174 PolarHBondContact O-N 2.74Å |
| 171 | D | 89.7 | Confident | 88 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 178.5 | -60.1 | -53.7 | 0 | 0 | 0 | 111.4 | Y158 R168 F174 M175 | Y158-D171 HydrophobicContact CE1-CB 3.98Å; Y158-D171 WeakPolarHBondContact OH-CA 3.35Å; Y158-D171 WeakPolarHBondContact OH-CB 3.3Å; Y158-D171 PolarHBondContact OH-OD1 3.39Å; R168-D171 WeakPolarHBondContact CB-OD2 3.4Å; R168-D171 IonicContact CZ-OD2 2.67Å; R168-D171 PolarHBondContact N-OD2 2.9Å; R168-D171 IonicContact NE-OD2 2.75Å; R168-D171 PolarHBondContact NE-OD2 3.3Å; R168-D171 IonicContact NH2-OD1 3.34Å; R168-D171 IonicContact NH2-OD2 2.77Å; R168-D171 PolarHBondContact NH2-OD2 3.33Å; R168-D171 WeakPolarHBondContact O-CA 3.42Å; R168-D171 WeakPolarHBondContact O-CB 3.26Å; R168-D171 PolarHBondContact O-N 3.01Å; D171-F174 PolarHBondContact O-N 3.46Å; D171-M175 WeakPolarHBondContact O-CB 3.46Å; D171-M175 VanDerWaalsContact O-CG 3.32Å; D171-M175 WeakPolarHBondContact O-CG 3.4Å; D171-M175 PolarHBondContact O-N 2.8Å |
| 172 | V | 90.2 | Very high | 88.1 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L167 R168 P169 F174 K176 F213 I215 | L167-V172 HydrophobicContact CB-CG2 3.83Å; L167-V172 HydrophobicContact CD1-CG2 4.34Å; R168-V172 WeakPolarHBondContact O-CG2 3.23Å; R168-V172 PolarHBondContact O-N 2.83Å; P169-V172 PolarHBondContact O-N 2.96Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; V172-K176 HydrophobicContact CG1-CD 4.11Å; V172-K176 HydrophobicContact CG1-CG 4.42Å; V172-K176 VanDerWaalsContact O-CB 3.23Å; V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 VanDerWaalsContact O-CG 3.22Å; V172-K176 WeakPolarHBondContact O-CG 3.43Å; V172-K176 PolarHBondContact O-N 2.91Å; V172-F213 HydrophobicContact CB-CD2 4.47Å; V172-F213 HydrophobicContact CG1-CB 4.2Å; V172-F213 HydrophobicContact CG1-CD1 3.76Å; V172-F213 HydrophobicContact CG1-CD2 3.84Å; V172-F213 HydrophobicContact CG1-CE1 4.05Å; V172-F213 HydrophobicContact CG1-CE2 4.16Å; V172-F213 HydrophobicContact CG1-CG 3.66Å; V172-F213 HydrophobicContact CG1-CZ 4.26Å; V172-F213 HydrophobicContact CG2-CD2 3.7Å; V172-F213 HydrophobicContact CG2-CE2 3.58Å; V172-F213 HydrophobicContact CG2-CG 4.4Å; V172-F213 HydrophobicContact CG2-CZ 4.14Å; V172-I215 HydrophobicContact CG1-CD1 4.35Å |
| 173 | G | 88.7 | Confident | 88.3 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P169 V170 K176 A177 | P169-G173 PolarHBondContact O-N 3.11Å; V170-G173 PolarHBondContact O-N 3.48Å; G173-K176 PolarHBondContact O-N 3.18Å; G173-A177 PolarHBondContact O-N 3.2Å; G173-A177 VanDerWaalsContact O-N 3.11Å |
| 174 | F | 89.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 178.6 | -165.4 | -74.4 | 0 | 0 | 0 | 112.2 | A50 F112 W122 I125 Y158 V170 D171 V172 K176 A177 L178 | A50-F174 HydrophobicContact CB-CE1 3.83Å; A50-F174 HydrophobicContact CB-CZ 3.77Å; F112-F174 HydrophobicContact CD1-CD2 4.09Å; F112-F174 AromaticContact CD1-CE2 3.78Å; F112-F174 HydrophobicContact CD1-CE2 3.78Å; F112-F174 AromaticContact CE1-CD2 3.75Å; F112-F174 HydrophobicContact CE1-CD2 3.75Å; F112-F174 AromaticContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CG 4.39Å; F112-F174 HydrophobicContact CE1-CZ 4Å; F112-F174 HydrophobicContact CZ-CD2 4.01Å; F112-F174 HydrophobicContact CZ-CE2 4.25Å; F112-F174 HydrophobicContact CZ-CG 4.33Å; W122-F174 HydrophobicContact CB-CD2 3.58Å; W122-F174 HydrophobicContact CB-CE2 3.85Å; W122-F174 HydrophobicContact CB-CG 4.07Å; I125-F174 HydrophobicContact CB-CZ 4.29Å; I125-F174 HydrophobicContact CD1-CE2 3.66Å; I125-F174 HydrophobicContact CD1-CZ 3.44Å; I125-F174 VanDerWaalsContact CD1-CZ 3.44Å; I125-F174 HydrophobicContact CG1-CZ 4.44Å; I125-F174 HydrophobicContact CG2-CZ 4.1Å; Y158-F174 AromaticContact CD2-CD1 3.77Å; Y158-F174 HydrophobicContact CD2-CD1 3.77Å; Y158-F174 AromaticContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CE2-CB 4.13Å; Y158-F174 AromaticContact CE2-CD1 3.23Å; Y158-F174 HydrophobicContact CE2-CD1 3.23Å; Y158-F174 AromaticContact CE2-CE1 3.68Å; Y158-F174 HydrophobicContact CE2-CE1 3.68Å; Y158-F174 AromaticContact CE2-CG 3.73Å; Y158-F174 HydrophobicContact CE2-CG 3.73Å; V170-F174 WeakPolarHBondContact O-CB 3.47Å; V170-F174 PolarHBondContact O-N 2.74Å; D171-F174 PolarHBondContact O-N 3.46Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 2.93Å; F174-A177 PolarHBondContact O-N 3.07Å; F174-L178 HydrophobicContact CD1-CD2 4.48Å; F174-L178 HydrophobicContact CE1-CD2 3.81Å; F174-L178 PolarHBondContact O-N 3.39Å; F174-L178 VanDerWaalsContact O-N 3.12Å |
| 175 | M | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 178.7 | -67.7 | 178.8 | 79.1 | 0 | 0 | 111.4 | Y158 L167 D171 A177 L178 H179 I184 P186 I210 I215 V217 | Y158-M175 HydrophobicContact CD1-CG 4.05Å; Y158-M175 HydrophobicContact CD1-SD 4.01Å; Y158-M175 HydrophobicContact CD2-CG 4.39Å; Y158-M175 HydrophobicContact CE1-CG 4.08Å; Y158-M175 HydrophobicContact CE1-SD 4.15Å; Y158-M175 HydrophobicContact CE2-CG 4.41Å; Y158-M175 HydrophobicContact CG-CG 4.21Å; L167-M175 HydrophobicContact CD2-SD 4.46Å; D171-M175 WeakPolarHBondContact O-CB 3.46Å; D171-M175 VanDerWaalsContact O-CG 3.32Å; D171-M175 WeakPolarHBondContact O-CG 3.4Å; D171-M175 PolarHBondContact O-N 2.8Å; M175-A177 VanDerWaalsContact C-N 3.35Å; M175-A177 PolarHBondContact O-N 3.4Å; M175-L178 PolarHBondContact O-N 2.87Å; M175-H179 WeakPolarHBondContact O-CB 3.34Å; M175-H179 PolarHBondContact O-N 3.21Å; M175-H179 PolarHBondContact O-ND1 3.4Å; M175-I184 HydrophobicContact CB-CD1 4.3Å; M175-I184 HydrophobicContact CE-CG2 3.99Å; M175-P186 HydrophobicContact CE-CB 4.41Å; M175-I210 HydrophobicContact CE-CD1 4.44Å; M175-I215 HydrophobicContact CB-CD1 4.01Å; M175-I215 HydrophobicContact CB-CG2 3.85Å; M175-I215 HydrophobicContact CE-CG2 3.91Å; M175-V217 HydrophobicContact CE-CG1 3.77Å |
| 176 | K | 91.6 | Very high | 90.1 | Very high | 90 Ų | 90 | 29.5 Ų | 29.5 | 39% | 0.391 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 173.6 | -81.7 | -172.8 | 177.9 | -160.6 | 0 | 113.3 | V172 G173 F174 H179 F213 I215 | V172-K176 HydrophobicContact CG1-CD 4.11Å; V172-K176 HydrophobicContact CG1-CG 4.42Å; V172-K176 VanDerWaalsContact O-CB 3.23Å; V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 VanDerWaalsContact O-CG 3.22Å; V172-K176 WeakPolarHBondContact O-CG 3.43Å; V172-K176 PolarHBondContact O-N 2.91Å; G173-K176 PolarHBondContact O-N 3.18Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 2.93Å; K176-H179 VanDerWaalsContact CA-ND1 3.28Å; K176-H179 WeakPolarHBondContact CA-ND1 3.41Å; K176-H179 PolarHBondContact O-CE1 3.17Å; K176-H179 PolarHBondContact O-ND1 2.78Å; K176-F213 WeakPolarHBondContact CE-O 3.43Å; K176-F213 PolarHBondContact NZ-O 3.45Å; K176-I215 HydrophobicContact CG-CD1 4.42Å; K176-I215 HydrophobicContact CG-CG1 3.96Å |
| 177 | A | 89.5 | Confident | 90.5 | Very high | 25 Ų | 25 | 29 Ų | 29 | 21% | 0.207 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -75.3 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W122 G173 F174 M175 | W122-A177 HydrophobicContact CB-CB 4.26Å; W122-A177 HydrophobicContact CD2-CB 4.33Å; W122-A177 HydrophobicContact CG-CB 3.71Å; G173-A177 PolarHBondContact O-N 3.2Å; G173-A177 VanDerWaalsContact O-N 3.11Å; F174-A177 PolarHBondContact O-N 3.07Å; M175-A177 VanDerWaalsContact C-N 3.35Å; M175-A177 PolarHBondContact O-N 3.4Å |
| 178 | L | 91 | Very high | 90.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -95.6 | -27.1 | -170.9 | -171.5 | 64.4 | 0 | 0 | 0 | 114.2 | V129 C156 F174 M175 E180 K181 V182 I184 | V129-L178 HydrophobicContact CG2-CD1 4.31Å; C156-L178 HydrophobicContact CB-CD2 3.93Å; C156-L178 VanDerWaalsContact SG-CD2 3.52Å; F174-L178 HydrophobicContact CD1-CD2 4.48Å; F174-L178 HydrophobicContact CE1-CD2 3.81Å; F174-L178 PolarHBondContact O-N 3.39Å; F174-L178 VanDerWaalsContact O-N 3.12Å; M175-L178 PolarHBondContact O-N 2.87Å; L178-E180 VanDerWaalsContact C-N 3.25Å; L178-E180 PolarHBondContact O-N 3.06Å; L178-K181 PolarHBondContact O-N 3.3Å; L178-V182 HydrophobicContact CD1-CB 4.07Å; L178-V182 HydrophobicContact CD1-CG2 3.72Å; L178-V182 HydrophobicContact CG-CB 4.21Å; L178-V182 HydrophobicContact CG-CG2 4.41Å; L178-V182 PolarHBondContact O-N 3.42Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CD2-CD1 4.24Å; L178-I184 HydrophobicContact CD2-CG1 4.25Å; L178-I184 HydrophobicContact CG-CD1 4.09Å; L178-I184 HydrophobicContact CG-CG1 4.25Å |
| 179 | H | 90.7 | Very high | 90.9 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.4 | -170.5 | 69.5 | -98.9 | 0 | 0 | 0 | 114.5 | M175 K176 K181 I184 I215 H216 H303 | M175-H179 WeakPolarHBondContact O-CB 3.34Å; M175-H179 PolarHBondContact O-N 3.21Å; M175-H179 PolarHBondContact O-ND1 3.4Å; K176-H179 VanDerWaalsContact CA-ND1 3.28Å; K176-H179 WeakPolarHBondContact CA-ND1 3.41Å; K176-H179 PolarHBondContact O-CE1 3.17Å; K176-H179 PolarHBondContact O-ND1 2.78Å; H179-K181 VanDerWaalsContact C-N 3.27Å; H179-K181 PolarHBondContact O-N 3.42Å; H179-I184 HydrophobicContact CB-CD1 3.91Å; H179-I215 HydrophobicContact CB-CG2 4.38Å; H179-H216 HydrophobicContact CB-CB 4.4Å; H179-H216 WeakPolarHBondContact CB-O 3.34Å; H179-H216 AromaticContact CD2-ND1 3.6Å; H179-H216 AromaticContact NE2-ND1 3.77Å; H179-H303 PolarHBondContact O-CE1 3.31Å |
| 180 | E | 88.7 | Confident | 90.9 | Very high | 133 Ų | 133 | 23 Ų | 23 | 62% | 0.621 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -23.4 | 176.4 | -63.7 | -176.4 | 166.1 | 0 | 0 | 112.1 | L178 H303 | L178-E180 VanDerWaalsContact C-N 3.25Å; L178-E180 PolarHBondContact O-N 3.06Å; E180-H303 PolarHBondContact O-ND1 2.94Å |
| 181 | K | 89.1 | Confident | 91 | Very high | 47 Ų | 47 | 21.2 Ų | 21.2 | 20% | 0.204 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -27.4 | -168.2 | -61.3 | -176.2 | 179.1 | -169.4 | 0 | 114.1 | T126 V129 D130 F133 L178 H179 H303 | T126-K181 HydrophobicContact CG2-CD 4Å; V129-K181 HydrophobicContact CG1-CB 4.04Å; D130-K181 WeakPolarHBondContact OD1-CD 3.36Å; D130-K181 WeakPolarHBondContact OD1-CE 3.22Å; D130-K181 IonicContact OD1-NZ 2.88Å; D130-K181 PolarHBondContact OD1-NZ 3.01Å; D130-K181 IonicContact OD2-NZ 3.94Å; D130-K181 PolarHBondContact OD2-NZ 3.37Å; F133-K181 HydrophobicContact CE2-CB 4.29Å; F133-K181 WeakPolarHBondContact CE2-O 3.4Å; F133-K181 VanDerWaalsContact CZ-O 3.27Å; F133-K181 WeakPolarHBondContact CZ-O 3.23Å; L178-K181 PolarHBondContact O-N 3.3Å; H179-K181 VanDerWaalsContact C-N 3.27Å; H179-K181 PolarHBondContact O-N 3.42Å; K181-H303 WeakPolarHBondContact O-CB 3.11Å |
| 182 | V | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -142.8 | 146.1 | -175.3 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | V129 V153 C156 L178 I184 | V129-V182 HydrophobicContact CB-CG2 4.37Å; V129-V182 HydrophobicContact CG1-CG2 3.64Å; V129-V182 HydrophobicContact CG2-CG2 3.78Å; V153-V182 HydrophobicContact CB-CG1 4.36Å; V153-V182 HydrophobicContact CB-CG2 4.33Å; V153-V182 HydrophobicContact CG1-CG1 3.72Å; V153-V182 HydrophobicContact CG1-CG2 4.37Å; C156-V182 HydrophobicContact CB-CB 4.45Å; C156-V182 HydrophobicContact CB-CG1 3.7Å; L178-V182 HydrophobicContact CD1-CB 4.07Å; L178-V182 HydrophobicContact CD1-CG2 3.72Å; L178-V182 HydrophobicContact CG-CB 4.21Å; L178-V182 HydrophobicContact CG-CG2 4.41Å; L178-V182 PolarHBondContact O-N 3.42Å; V182-I184 PolarHBondContact O-N 2.9Å; V182-I184 VanDerWaalsContact O-N 3.13Å |
| 183 | N | 93.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | trans | -63.4 | 108.8 | 169 | -65.6 | -54.1 | 0 | 0 | 0 | 110.9 | H154 C156 Y218 L295 V298 T299 H303 | H154-N183 PolarHBondContact O-ND2 3.38Å; C156-N183 PolarHBondContact N-O 3.12Å; N183-Y218 HydrophobicContact CB-CD2 4.08Å; N183-L295 HydrophobicContact CB-CD2 3.81Å; N183-L295 PolarHBondContact ND2-O 3.27Å; N183-V298 WeakPolarHBondContact OD1-CG1 3.46Å; N183-T299 PolarHBondContact ND2-OG1 3.43Å; N183-H303 PolarHBondContact N-NE2 3.47Å; N183-H303 PolarHBondContact OD1-NE2 2.91Å; N183-H303 VanDerWaalsContact OD1-NE2 3.1Å | ||
| 184 | I | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.3 | 178.6 | -57.9 | 178.8 | 0 | 0 | 0 | 110.1 | M175 L178 H179 V182 Y218 | M175-I184 HydrophobicContact CB-CD1 4.3Å; M175-I184 HydrophobicContact CE-CG2 3.99Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CD2-CD1 4.24Å; L178-I184 HydrophobicContact CD2-CG1 4.25Å; L178-I184 HydrophobicContact CG-CD1 4.09Å; L178-I184 HydrophobicContact CG-CG1 4.25Å; H179-I184 HydrophobicContact CB-CD1 3.91Å; V182-I184 PolarHBondContact O-N 2.9Å; V182-I184 VanDerWaalsContact O-N 3.13Å; I184-Y218 PolarHBondContact O-N 2.93Å |
| 185 | V | 92.3 | Very high | 91 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 106.5 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | C156 L157 Y158 L187 F244 L283 M286 | C156-V185 PolarHBondContact O-N 3.36Å; L157-V185 HydrophobicContact CD2-CB 3.89Å; L157-V185 HydrophobicContact CD2-CG1 4.21Å; Y158-V185 PolarHBondContact N-O 3.03Å; V185-L187 HydrophobicContact CG1-CD2 4.03Å; V185-F244 HydrophobicContact CG1-CD2 4.04Å; V185-F244 HydrophobicContact CG1-CE2 4.09Å; V185-L283 HydrophobicContact CG1-CD1 4.28Å; V185-M286 HydrophobicContact CG2-CE 4.14Å |
| 186 | P | 92.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 128.9 | 179.3 | 29.4 | -34.1 | 0 | 0 | 0 | 111.6 | I160 M175 I210 V217 P243 F244 | I160-P186 HydrophobicContact CD1-CB 3.82Å; M175-P186 HydrophobicContact CE-CB 4.41Å; P186-I210 HydrophobicContact CG-CD1 4.47Å; P186-V217 HydrophobicContact CG-CG1 4.19Å; P186-P243 HydrophobicContact CB-CB 3.97Å; P186-P243 HydrophobicContact CG-CB 3.96Å; P186-P243 WeakPolarHBondContact O-CA 3.33Å; P186-P243 VanDerWaalsContact O-CB 3.31Å; P186-P243 WeakPolarHBondContact O-CB 3.48Å; P186-F244 PolarHBondContact O-N 3Å |
| 187 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.7 | 179 | -55.9 | -175.5 | 0 | 0 | 0 | 110.2 | L60 L157 Y158 F159 I160 V185 A189 F244 V246 L283 | L60-L187 HydrophobicContact CD2-CD1 3.76Å; L157-L187 HydrophobicContact CB-CD1 3.85Å; L157-L187 HydrophobicContact CD1-CD1 4.06Å; L157-L187 HydrophobicContact CD2-CD1 4.15Å; L157-L187 HydrophobicContact CG-CD1 4.23Å; Y158-L187 PolarHBondContact O-N 2.84Å; F159-L187 HydrophobicContact CE2-CD1 4.13Å; F159-L187 HydrophobicContact CZ-CD1 4.25Å; I160-L187 PolarHBondContact N-O 3.08Å; V185-L187 HydrophobicContact CG1-CD2 4.03Å; L187-A189 PolarHBondContact O-N 2.99Å; L187-F244 CarbonylContact C-O 3.12Å; L187-F244 WeakPolarHBondContact CA-O 3.38Å; L187-F244 HydrophobicContact CD2-CB 3.77Å; L187-F244 HydrophobicContact CD2-CD2 3.91Å; L187-F244 HydrophobicContact CD2-CG 4.33Å; L187-V246 HydrophobicContact CB-CG2 4.16Å; L187-V246 HydrophobicContact CD1-CG2 4.39Å; L187-V246 HydrophobicContact CD2-CG1 4.43Å; L187-L283 HydrophobicContact CD1-CD2 3.72Å; L187-L283 HydrophobicContact CD2-CD1 3.73Å; L187-L283 HydrophobicContact CD2-CD2 3.8Å; L187-L283 HydrophobicContact CD2-CG 4.34Å; L187-L283 HydrophobicContact CG-CD2 4.45Å |
| 188 | I | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.5 | 168.1 | -59.3 | 169.1 | 0 | 0 | 0 | 107.5 | P162 L194 L202 K203 I206 P243 F244 V246 | P162-I188 HydrophobicContact CB-CG2 4.32Å; I188-L194 HydrophobicContact CG2-CD1 4.44Å; I188-L202 HydrophobicContact CD1-CD2 4.15Å; I188-L202 HydrophobicContact CD1-CG 4.3Å; I188-L202 HydrophobicContact CG2-CD2 4.14Å; I188-K203 HydrophobicContact CD1-CG 3.73Å; I188-I206 HydrophobicContact CD1-CD1 4.08Å; I188-I206 HydrophobicContact CG1-CD1 4.03Å; I188-P243 HydrophobicContact CD1-CG 4.03Å; I188-P243 HydrophobicContact CG1-CB 4.41Å; I188-P243 HydrophobicContact CG1-CG 4.24Å; I188-F244 PolarHBondContact N-O 2.84Å; I188-V246 WeakPolarHBondContact O-CG2 3.44Å; I188-V246 PolarHBondContact O-N 3.44Å |
| 189 | A | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.9 | 152.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L55 F159 I160 P162 L187 A191 | L55-A189 HydrophobicContact CB-CB 3.84Å; L55-A189 HydrophobicContact CD1-CB 4.27Å; L55-A189 HydrophobicContact CD2-CB 4.17Å; L55-A189 HydrophobicContact CG-CB 4.32Å; F159-A189 HydrophobicContact CB-CB 4.36Å; F159-A189 HydrophobicContact CD1-CB 3.93Å; I160-A189 WeakPolarHBondContact O-CB 3.16Å; I160-A189 PolarHBondContact O-N 3.31Å; P162-A189 WeakPolarHBondContact CB-O 3.45Å; P162-A189 WeakPolarHBondContact CD-O 3.43Å; P162-A189 VanDerWaalsContact CG-O 3.26Å; P162-A189 WeakPolarHBondContact CG-O 3.41Å; L187-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.12Å |
| 190 | K | 88.2 | Confident | 91 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 29% | 0.287 | 23% | 0.23 | S | C | . | . | trans | 47.3 | 52.1 | 175.8 | -59.9 | 179.7 | -179.2 | 173.1 | 0 | 112.9 | G54 P162 D192 C193 V246 | G54-K190 WeakPolarHBondContact O-CE 3.3Å; G54-K190 PolarHBondContact O-NZ 3.32Å; P162-K190 HydrophobicContact CG-CB 4.22Å; K190-D192 WeakPolarHBondContact CA-OD1 3.18Å; K190-D192 PolarHBondContact O-N 3.39Å; K190-C193 WeakPolarHBondContact O-CB 3.22Å; K190-C193 PolarHBondContact O-N 2.98Å; K190-C193 PolarHBondContact O-SG 2.91Å; K190-V246 PolarHBondContact N-O 2.92Å | ||
| 191 | A | 90 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60.3 | -16.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A189 C193 L194 I199 A245 V246 I247 | A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.12Å; A191-C193 PolarHBondContact O-N 3.26Å; A191-L194 PolarHBondContact O-N 3.13Å; A191-I199 HydrophobicContact CB-CD1 4.45Å; A191-A245 HydrophobicContact CB-CB 3.73Å; A191-V246 PolarHBondContact N-O 3.39Å; A191-I247 HydrophobicContact CB-CD1 4.5Å; A191-I247 HydrophobicContact CB-CG1 3.96Å |
| 192 | D | 89.6 | Confident | 91.3 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -65.7 | -13.3 | 172 | 49.7 | -18.4 | 0 | 0 | 0 | 114.5 | K190 L194 I247 R263 Y265 | K190-D192 WeakPolarHBondContact CA-OD1 3.18Å; K190-D192 PolarHBondContact O-N 3.39Å; D192-L194 VanDerWaalsContact C-N 3.31Å; D192-I247 HydrophobicContact CB-CD1 3.82Å; D192-I247 HydrophobicContact CB-CG1 4.32Å; D192-R263 IonicContact OD1-NH1 3.51Å; D192-R263 PolarHBondContact OD1-NH1 3.38Å; D192-R263 WeakPolarHBondContact OD2-CD 3.24Å; D192-R263 IonicContact OD2-CZ 3.36Å; D192-R263 VanDerWaalsContact OD2-CZ 3.3Å; D192-R263 IonicContact OD2-NE 3.25Å; D192-R263 IonicContact OD2-NH1 3.95Å; D192-R263 PolarHBondContact OD2-NH1 3.18Å; D192-Y265 HydrophobicContact CB-CE2 4.41Å; D192-Y265 PolarHBondContact OD2-OH 2.96Å |
| 193 | C | 88.9 | Confident | 91.2 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 43% | 0.432 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -80.1 | -13.2 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | K190 A191 | K190-C193 WeakPolarHBondContact O-CB 3.22Å; K190-C193 PolarHBondContact O-N 2.98Å; K190-C193 PolarHBondContact O-SG 2.91Å; A191-C193 PolarHBondContact O-N 3.26Å |
| 194 | L | 89.3 | Confident | 91.1 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 18% | 0.183 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -117.1 | 143.1 | -171.5 | -63.4 | 174.9 | 0 | 0 | 0 | 111.3 | P162 I188 A191 D192 E198 I199 L202 | P162-L194 HydrophobicContact CB-CD1 3.82Å; P162-L194 HydrophobicContact CB-CG 4.13Å; I188-L194 HydrophobicContact CG2-CD1 4.44Å; A191-L194 PolarHBondContact O-N 3.13Å; D192-L194 VanDerWaalsContact C-N 3.31Å; L194-E198 HydrophobicContact CB-CB 4.39Å; L194-E198 HydrophobicContact CD2-CB 4.42Å; L194-I199 HydrophobicContact CB-CD1 4.2Å; L194-I199 HydrophobicContact CB-CG1 3.55Å; L194-I199 HydrophobicContact CD1-CG1 4.17Å; L194-L202 HydrophobicContact CD1-CD2 3.67Å |
| 195 | V | 90.7 | Very high | 91 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | trans | -72.2 | 148.2 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109 | S197 E198 I199 | V195-S197 PolarHBondContact O-N 2.82Å; V195-E198 HydrophobicContact CB-CG 4.16Å; V195-E198 WeakPolarHBondContact CB-OE2 3.42Å; V195-E198 PolarHBondContact N-OE2 3.26Å; V195-E198 WeakPolarHBondContact O-CA 3.41Å; V195-E198 WeakPolarHBondContact O-CB 3.5Å; V195-E198 PolarHBondContact O-N 3.24Å; V195-I199 PolarHBondContact O-N 2.93Å | ||
| 196 | P | 89.4 | Confident | 91 | Very high | 89 Ų | 89 | 52.9 Ų | 52.9 | 58% | 0.578 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -53.2 | -30.3 | 179.6 | -30.6 | 36.3 | 0 | 0 | 0 | 115.2 | R200 | P196-R200 WeakPolarHBondContact O-CG 3.37Å; P196-R200 PolarHBondContact O-N 3.27Å |
| 197 | S | 91.5 | Very high | 90.9 | Very high | 64 Ų | 64 | 57 Ų | 57 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.3 | -33.4 | 175.1 | 68 | 0 | 0 | 0 | 0 | 113.2 | V195 K201 | V195-S197 PolarHBondContact O-N 2.82Å; S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 2.96Å |
| 198 | E | 91.8 | Very high | 90.8 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.5 | -40.5 | 176.5 | -62.9 | 172.3 | 146.8 | 0 | 0 | 110.6 | L194 V195 R200 K201 L202 | L194-E198 HydrophobicContact CB-CB 4.39Å; L194-E198 HydrophobicContact CD2-CB 4.42Å; V195-E198 HydrophobicContact CB-CG 4.16Å; V195-E198 WeakPolarHBondContact CB-OE2 3.42Å; V195-E198 PolarHBondContact N-OE2 3.26Å; V195-E198 WeakPolarHBondContact O-CA 3.41Å; V195-E198 WeakPolarHBondContact O-CB 3.5Å; V195-E198 PolarHBondContact O-N 3.24Å; E198-R200 VanDerWaalsContact C-N 3.31Å; E198-R200 PolarHBondContact O-N 2.78Å; E198-K201 PolarHBondContact O-N 3.44Å; E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 3.46Å |
| 199 | I | 90.7 | Very high | 90.8 | Very high | 26 Ų | 26 | 65.8 Ų | 65.8 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.7 | -46.4 | 174.8 | -64.2 | 175.6 | 0 | 0 | 0 | 110.3 | A191 L194 V195 L202 K203 A245 | A191-I199 HydrophobicContact CB-CD1 4.45Å; L194-I199 HydrophobicContact CB-CD1 4.2Å; L194-I199 HydrophobicContact CB-CG1 3.55Å; L194-I199 HydrophobicContact CD1-CG1 4.17Å; V195-I199 PolarHBondContact O-N 2.93Å; I199-L202 PolarHBondContact O-N 3.2Å; I199-K203 HydrophobicContact CG2-CD 4.22Å; I199-K203 HydrophobicContact CG2-CG 4.27Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.11Å; I199-K203 PolarHBondContact O-N 3.04Å; I199-A245 HydrophobicContact CG2-CB 4.01Å |
| 200 | R | 90.1 | Very high | 90.7 | Very high | 178 Ų | 178 | 66.2 Ų | 66.2 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.6 | -49.1 | 178.5 | -72.7 | 177.3 | -173.4 | 167 | 1.8 | 112 | P196 E198 L202 K203 E204 | P196-R200 WeakPolarHBondContact O-CG 3.37Å; P196-R200 PolarHBondContact O-N 3.27Å; E198-R200 VanDerWaalsContact C-N 3.31Å; E198-R200 PolarHBondContact O-N 2.78Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.29Å; R200-K203 PolarHBondContact O-N 3.28Å; R200-E204 WeakPolarHBondContact O-CG 3.43Å; R200-E204 PolarHBondContact O-N 2.65Å |
| 201 | K | 92.1 | Very high | 90.9 | Very high | 127 Ų | 127 | 69.2 Ų | 69.2 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.6 | -40.1 | 176.9 | -70.8 | 175.6 | -180 | 177 | 0 | 112.2 | S197 E198 R205 | S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 2.96Å; E198-K201 PolarHBondContact O-N 3.44Å; K201-R205 WeakPolarHBondContact O-CG 3.39Å; K201-R205 PolarHBondContact O-N 3.03Å; K201-R205 VanDerWaalsContact O-N 3.11Å |
| 202 | L | 91.8 | Very high | 91 | Very high | 10 Ų | 10 | 77.2 Ų | 77.2 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.9 | -177.2 | 60.6 | 0 | 0 | 0 | 111.3 | G164 I188 L194 E198 I199 R200 E204 R205 I206 | G164-L202 WeakPolarHBondContact O-CD1 3.5Å; I188-L202 HydrophobicContact CD1-CD2 4.15Å; I188-L202 HydrophobicContact CD1-CG 4.3Å; I188-L202 HydrophobicContact CG2-CD2 4.14Å; L194-L202 HydrophobicContact CD1-CD2 3.67Å; E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 3.46Å; I199-L202 PolarHBondContact O-N 3.2Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.29Å; L202-E204 PolarHBondContact O-N 3.02Å; L202-R205 PolarHBondContact O-N 3.07Å; L202-I206 HydrophobicContact CD1-CD1 3.99Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CD2-CD1 4.48Å; L202-I206 HydrophobicContact CG-CD1 3.79Å; L202-I206 HydrophobicContact CG-CG1 4.46Å; L202-I206 WeakPolarHBondContact O-CB 3.26Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.12Å |
| 203 | K | 91.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 79.2 Ų | 79.2 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.5 | -73.6 | -170.6 | -177.8 | -158.7 | 0 | 111.5 | I188 I199 R200 I206 R207 S241 P243 D279 | I188-K203 HydrophobicContact CD1-CG 3.73Å; I199-K203 HydrophobicContact CG2-CD 4.22Å; I199-K203 HydrophobicContact CG2-CG 4.27Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.11Å; I199-K203 PolarHBondContact O-N 3.04Å; R200-K203 PolarHBondContact O-N 3.28Å; K203-I206 PolarHBondContact O-N 3.36Å; K203-R207 WeakPolarHBondContact O-CG 3.22Å; K203-R207 PolarHBondContact O-N 3.36Å; K203-S241 PolarHBondContact NZ-O 3.39Å; K203-P243 HydrophobicContact CB-CG 4.46Å; K203-P243 WeakPolarHBondContact CE-O 3.27Å; K203-P243 HydrophobicContact CG-CG 4.1Å; K203-P243 PolarHBondContact NZ-O 2.84Å; K203-D279 IonicContact NZ-OD2 3.96Å; K203-D279 PolarHBondContact NZ-OD2 3Å |
| 204 | E | 91 | Very high | 91.1 | Very high | 100 Ų | 100 | 78.1 Ų | 78.1 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 177.3 | -74.7 | 166.9 | -171.7 | 0 | 0 | 111.6 | R200 L202 I206 R207 E208 | R200-E204 WeakPolarHBondContact O-CG 3.43Å; R200-E204 PolarHBondContact O-N 2.65Å; L202-E204 PolarHBondContact O-N 3.02Å; E204-I206 PolarHBondContact O-N 3.42Å; E204-R207 PolarHBondContact O-N 3.16Å; E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.01Å |
| 205 | R | 92.1 | Very high | 91 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 42% | 0.415 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 178.2 | -71 | 178.8 | -173.8 | -179.4 | -1.3 | 113.3 | H165 K201 L202 R207 E208 E209 | H165-R205 WeakPolarHBondContact O-CD 3.49Å; H165-R205 PolarHBondContact O-NH1 3.25Å; K201-R205 WeakPolarHBondContact O-CG 3.39Å; K201-R205 PolarHBondContact O-N 3.03Å; K201-R205 VanDerWaalsContact O-N 3.11Å; L202-R205 PolarHBondContact O-N 3.07Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.36Å; R205-E208 PolarHBondContact O-N 3.41Å; R205-E209 WeakPolarHBondContact O-CB 3.32Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 3.46Å |
| 206 | I | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.3 | -70.8 | 166 | 0 | 0 | 0 | 110.2 | I160 L167 I188 L202 K203 E204 E209 I210 P243 | I160-I206 HydrophobicContact CD1-CD1 4.07Å; I160-I206 HydrophobicContact CD1-CG2 4.02Å; I160-I206 HydrophobicContact CG2-CD1 4.11Å; L167-I206 HydrophobicContact CD2-CG1 4.26Å; L167-I206 HydrophobicContact CD2-CG2 4.09Å; L167-I206 HydrophobicContact CG-CG1 4.39Å; L167-I206 HydrophobicContact CG-CG2 4.33Å; I188-I206 HydrophobicContact CD1-CD1 4.08Å; I188-I206 HydrophobicContact CG1-CD1 4.03Å; L202-I206 HydrophobicContact CD1-CD1 3.99Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CD2-CD1 4.48Å; L202-I206 HydrophobicContact CG-CD1 3.79Å; L202-I206 HydrophobicContact CG-CG1 4.46Å; L202-I206 WeakPolarHBondContact O-CB 3.26Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.12Å; K203-I206 PolarHBondContact O-N 3.36Å; E204-I206 PolarHBondContact O-N 3.42Å; I206-E209 PolarHBondContact O-N 2.89Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.25Å; I206-I210 WeakPolarHBondContact O-CB 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.34Å; I206-I210 PolarHBondContact O-N 2.86Å; I206-P243 HydrophobicContact CB-CG 4.29Å; I206-P243 HydrophobicContact CD1-CG 4.25Å; I206-P243 HydrophobicContact CG2-CG 3.99Å |
| 207 | R | 90.5 | Very high | 90.7 | Very high | 97 Ų | 97 | 76.2 Ų | 76.2 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 176.2 | -69.2 | -172.5 | -135.6 | 119.6 | -9.1 | 111.7 | K203 E204 R205 E209 I210 D211 E240 A242 | K203-R207 WeakPolarHBondContact O-CG 3.22Å; K203-R207 PolarHBondContact O-N 3.36Å; E204-R207 PolarHBondContact O-N 3.16Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.36Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 3.35Å; R207-I210 PolarHBondContact O-N 3.41Å; R207-D211 PolarHBondContact O-N 3.43Å; R207-E240 PolarHBondContact NH2-O 3.34Å; R207-E240 VanDerWaalsContact NH2-O 3.15Å; R207-A242 PolarHBondContact NE-O 3.43Å |
| 208 | E | 91.8 | Very high | 90.3 | Very high | 131 Ų | 131 | 74 Ų | 74 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.9 | -40.4 | 177.2 | -71.7 | 175.8 | -175.8 | 0 | 0 | 112.3 | E204 R205 K212 | E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.01Å; R205-E208 PolarHBondContact O-N 3.41Å; E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 2.75Å |
| 209 | E | 92 | Very high | 89.5 | Confident | 54 Ų | 54 | 77 Ų | 77 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.1 | -39.6 | 178.8 | -73.7 | -178.9 | 177.5 | 0 | 0 | 112.6 | L167 R205 I206 R207 D211 K212 F213 | L167-E209 WeakPolarHBondContact CA-OE2 3.2Å; L167-E209 WeakPolarHBondContact CB-OE2 3.46Å; L167-E209 HydrophobicContact CD1-CB 4.06Å; L167-E209 HydrophobicContact CG-CB 4.43Å; L167-E209 PolarHBondContact N-OE2 3.31Å; R205-E209 WeakPolarHBondContact O-CB 3.32Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 3.46Å; I206-E209 PolarHBondContact O-N 2.89Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 3.35Å; E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.37Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-F213 HydrophobicContact CB-CD2 4.16Å; E209-F213 HydrophobicContact CB-CE2 4.15Å; E209-F213 HydrophobicContact CG-CE2 4.45Å; E209-F213 WeakPolarHBondContact O-CB 2.99Å; E209-F213 WeakPolarHBondContact O-CD2 3.13Å; E209-F213 PolarHBondContact O-N 3.16Å |
| 210 | I | 90.9 | Very high | 88.7 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.4 | -48.1 | 173.1 | -74.3 | 168.3 | 0 | 0 | 0 | 110 | L167 M175 P186 I206 R207 F213 G214 I215 V217 | L167-I210 HydrophobicContact CD1-CG1 3.92Å; M175-I210 HydrophobicContact CE-CD1 4.44Å; P186-I210 HydrophobicContact CG-CD1 4.47Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.25Å; I206-I210 WeakPolarHBondContact O-CB 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.34Å; I206-I210 PolarHBondContact O-N 2.86Å; R207-I210 PolarHBondContact O-N 3.41Å; I210-F213 PolarHBondContact O-N 2.86Å; I210-G214 PolarHBondContact O-N 3.4Å; I210-I215 HydrophobicContact CG2-CB 4.15Å; I210-I215 VanDerWaalsContact CG2-O 3.24Å; I210-I215 WeakPolarHBondContact CG2-O 2.99Å; I210-I215 PolarHBondContact O-N 3.14Å; I210-V217 HydrophobicContact CD1-CG1 4.06Å; I210-V217 HydrophobicContact CG2-CG1 4.11Å; I210-V217 HydrophobicContact CG2-CG2 4.27Å |
| 211 | D | 90.8 | Very high | 87.8 | Confident | 128 Ų | 128 | 70.8 Ų | 70.8 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 179.2 | -67.1 | -17.3 | 0 | 0 | 0 | 111.3 | R207 E209 F213 G214 | R207-D211 PolarHBondContact O-N 3.43Å; E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.37Å; D211-F213 VanDerWaalsContact C-N 3.3Å; D211-F213 PolarHBondContact O-N 2.98Å; D211-G214 PolarHBondContact O-N 3Å; D211-G214 VanDerWaalsContact O-N 3.17Å |
| 212 | K | 93 | Very high | 86.5 | Confident | 173 Ų | 173 | 73.3 Ų | 73.3 | 75% | 0.752 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 178.9 | -177 | 179.1 | 179.5 | -178.6 | 0 | 112.9 | E208 E209 | E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 2.75Å; E209-K212 PolarHBondContact O-N 2.94Å |
| 213 | F | 90.7 | Very high | 85 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -86.2 | -9.4 | 179.3 | -73.4 | -59.5 | 0 | 0 | 0 | 113.6 | V172 K176 E209 I210 D211 I215 | V172-F213 HydrophobicContact CB-CD2 4.47Å; V172-F213 HydrophobicContact CG1-CB 4.2Å; V172-F213 HydrophobicContact CG1-CD1 3.76Å; V172-F213 HydrophobicContact CG1-CD2 3.84Å; V172-F213 HydrophobicContact CG1-CE1 4.05Å; V172-F213 HydrophobicContact CG1-CE2 4.16Å; V172-F213 HydrophobicContact CG1-CG 3.66Å; V172-F213 HydrophobicContact CG1-CZ 4.26Å; V172-F213 HydrophobicContact CG2-CD2 3.7Å; V172-F213 HydrophobicContact CG2-CE2 3.58Å; V172-F213 HydrophobicContact CG2-CG 4.4Å; V172-F213 HydrophobicContact CG2-CZ 4.14Å; K176-F213 WeakPolarHBondContact CE-O 3.43Å; K176-F213 PolarHBondContact NZ-O 3.45Å; E209-F213 HydrophobicContact CB-CD2 4.16Å; E209-F213 HydrophobicContact CB-CE2 4.15Å; E209-F213 HydrophobicContact CG-CE2 4.45Å; E209-F213 WeakPolarHBondContact O-CB 2.99Å; E209-F213 WeakPolarHBondContact O-CD2 3.13Å; E209-F213 PolarHBondContact O-N 3.16Å; I210-F213 PolarHBondContact O-N 2.86Å; D211-F213 VanDerWaalsContact C-N 3.3Å; D211-F213 PolarHBondContact O-N 2.98Å; F213-I215 HydrophobicContact CB-CD1 3.89Å; F213-I215 HydrophobicContact CB-CG1 3.96Å |
| 214 | G | 88.9 | Confident | 83.7 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 42% | 0.423 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 36.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I210 D211 | I210-G214 PolarHBondContact O-N 3.4Å; D211-G214 PolarHBondContact O-N 3Å; D211-G214 VanDerWaalsContact O-N 3.17Å |
| 215 | I | 89.1 | Confident | 82.3 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 40% | 0.395 | C | S | . | . | trans | -86.8 | 118.6 | -179.3 | -63.1 | 166.7 | 0 | 0 | 0 | 109 | V172 M175 K176 H179 I210 F213 V217 | V172-I215 HydrophobicContact CG1-CD1 4.35Å; M175-I215 HydrophobicContact CB-CD1 4.01Å; M175-I215 HydrophobicContact CB-CG2 3.85Å; M175-I215 HydrophobicContact CE-CG2 3.91Å; K176-I215 HydrophobicContact CG-CD1 4.42Å; K176-I215 HydrophobicContact CG-CG1 3.96Å; H179-I215 HydrophobicContact CB-CG2 4.38Å; I210-I215 HydrophobicContact CG2-CB 4.15Å; I210-I215 VanDerWaalsContact CG2-O 3.24Å; I210-I215 WeakPolarHBondContact CG2-O 2.99Å; I210-I215 PolarHBondContact O-N 3.14Å; F213-I215 HydrophobicContact CB-CD1 3.89Å; F213-I215 HydrophobicContact CB-CG1 3.96Å; I215-V217 HydrophobicContact CG2-CG1 4.27Å; I215-V217 PolarHBondContact O-N 3.39Å; I215-V217 VanDerWaalsContact O-N 3.14Å | ||
| 216 | H | 84.9 | Confident | 81.3 | Confident | 120 Ų | 120 | 80.9 Ų | 80.9 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | trans | -81 | 93.7 | 176.8 | -60.7 | 92.3 | 0 | 0 | 0 | 110.4 | H179 | H179-H216 HydrophobicContact CB-CB 4.4Å; H179-H216 WeakPolarHBondContact CB-O 3.34Å; H179-H216 AromaticContact CD2-ND1 3.6Å; H179-H216 AromaticContact NE2-ND1 3.77Å | ||
| 217 | V | 87.4 | Confident | 80.2 | Confident | 36 Ų | 36 | 84.2 Ų | 84.2 | 22% | 0.218 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 160.5 | 167.7 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | M175 P186 I210 I215 Q219 | M175-V217 HydrophobicContact CE-CG1 3.77Å; P186-V217 HydrophobicContact CG-CG1 4.19Å; I210-V217 HydrophobicContact CD1-CG1 4.06Å; I210-V217 HydrophobicContact CG2-CG1 4.11Å; I210-V217 HydrophobicContact CG2-CG2 4.27Å; I215-V217 HydrophobicContact CG2-CG1 4.27Å; I215-V217 PolarHBondContact O-N 3.39Å; I215-V217 VanDerWaalsContact O-N 3.14Å; V217-Q219 PolarHBondContact O-N 2.89Å |
| 218 | Y | 84 | Confident | 79.5 | Confident | 18 Ų | 18 | 85.7 Ų | 85.7 | 7% | 0.071 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 116.6 | 176.3 | 174.4 | -101.6 | 0 | 0 | 0 | 110.1 | N183 I184 F220 M286 H291 D294 L295 V298 | N183-Y218 HydrophobicContact CB-CD2 4.08Å; I184-Y218 PolarHBondContact O-N 2.93Å; Y218-F220 HydrophobicContact CD1-CD1 4.49Å; Y218-F220 AromaticContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CE1 4.18Å; Y218-F220 HydrophobicContact CE1-CG 4.35Å; Y218-M286 HydrophobicContact CD1-CE 3.58Å; Y218-M286 HydrophobicContact CE1-CE 3.32Å; Y218-H291 PolarHBondContact OH-CD2 3.37Å; Y218-D294 WeakPolarHBondContact CE2-OD2 3.07Å; Y218-D294 VanDerWaalsContact CZ-OD2 3.29Å; Y218-D294 PolarHBondContact OH-OD2 2.86Å; Y218-L295 HydrophobicContact CD1-CD2 4.18Å; Y218-L295 HydrophobicContact CD2-CD2 3.54Å; Y218-L295 HydrophobicContact CE1-CD2 4.1Å; Y218-L295 HydrophobicContact CE2-CD2 3.46Å; Y218-L295 VanDerWaalsContact CE2-CD2 3.46Å; Y218-L295 HydrophobicContact CE2-CG 4.08Å; Y218-L295 HydrophobicContact CG-CD2 3.88Å; Y218-V298 HydrophobicContact CE2-CG2 4.32Å |
| 219 | Q | 75.2 | Confident | 78.9 | Confident | 152 Ų | 152 | 86.2 Ų | 86.2 | 71% | 0.71 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 120.5 | 175.5 | -65.5 | -175.4 | 6.9 | 0 | 0 | 107.7 | V217 | V217-Q219 PolarHBondContact O-N 2.89Š|
| 220 | F | 73.7 | Confident | 78.2 | Confident | 25 Ų | 25 | 89.7 Ų | 89.7 | 11% | 0.11 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -59 | 129.9 | 173.2 | -63.5 | -84.4 | 0 | 0 | 0 | 109.3 | Y218 L238 K239 A242 F244 M286 H291 | Y218-F220 HydrophobicContact CD1-CD1 4.49Å; Y218-F220 AromaticContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CE1 4.18Å; Y218-F220 HydrophobicContact CE1-CG 4.35Å; F220-L238 HydrophobicContact CE1-CB 4.33Å; F220-L238 HydrophobicContact CZ-CB 4.42Å; F220-K239 HydrophobicContact CB-CD 4.16Å; F220-K239 HydrophobicContact CB-CG 3.79Å; F220-K239 HydrophobicContact CD2-CB 4.41Å; F220-K239 HydrophobicContact CD2-CG 3.58Å; F220-K239 HydrophobicContact CE2-CG 4.41Å; F220-K239 HydrophobicContact CG-CG 3.87Å; F220-K239 WeakPolarHBondContact O-CE 3.32Å; F220-A242 HydrophobicContact CE2-CB 4.28Å; F220-F244 HydrophobicContact CZ-CE2 4.24Å; F220-F244 AromaticContact CZ-CZ 3.96Å; F220-F244 HydrophobicContact CZ-CZ 3.96Å; F220-M286 HydrophobicContact CE1-CE 3.76Å; F220-M286 HydrophobicContact CE1-CG 3.67Å; F220-M286 HydrophobicContact CZ-CE 4.31Å; F220-M286 HydrophobicContact CZ-CG 4.33Å; F220-H291 AromaticContact CD1-CD2 3.9Å; F220-H291 AromaticContact CD1-CE1 3.96Å; F220-H291 AromaticContact CD1-NE2 3.61Å |
| 221 | P | 70.4 | Confident | 77.6 | Confident | 49 Ų | 49 | 92.2 Ų | 92.2 | 32% | 0.318 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 151 | 176.8 | -25.6 | 32.4 | 0 | 0 | 0 | 112.1 | C223 K239 D294 | P221-C223 PolarHBondContact O-N 3.42Å; P221-K239 PolarHBondContact O-NZ 3.4Å; P221-D294 HydrophobicContact CG-CB 4.32Å; P221-D294 WeakPolarHBondContact CG-OD1 3.42Å; P221-D294 VanDerWaalsContact CG-OD2 3.22Å; P221-D294 WeakPolarHBondContact CG-OD2 3.45Å |
| 222 | E | 64.4 | Low | 77 | Confident | 181 Ų | 181 | 88.2 Ų | 88.2 | 85% | 0.846 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 120.1 | 167 | -65.6 | -172.5 | 170.4 | 0 | 0 | 107.9 | D224 | E222-D224 PolarHBondContact O-N 3.05Š|
| 223 | C | 61.2 | Low | 76.4 | Confident | 35 Ų | 35 | 84 Ų | 84 | 24% | 0.236 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 132.8 | 173.5 | -75.2 | 0 | 0 | 0 | 0 | 110 | P221 E227 K232 D235 | P221-C223 PolarHBondContact O-N 3.42Å; C223-E227 VanDerWaalsContact CB-OE2 3.24Å; C223-E227 WeakPolarHBondContact CB-OE2 3.27Å; C223-E227 PolarHBondContact SG-OE2 3.17Å; C223-K232 HydrophobicContact CB-CG 3.98Å; C223-D235 VanDerWaalsContact SG-CB 3.54Å |
| 224 | D | 64.1 | Low | 75.8 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 146.6 | 174 | -74.9 | -35.4 | 0 | 0 | 0 | 110 | E222 D226 E227 K232 | E222-D224 PolarHBondContact O-N 3.05Å; D224-D226 PolarHBondContact O-N 2.88Å; D224-E227 HydrophobicContact CB-CG 4.22Å; D224-E227 PolarHBondContact O-N 3.31Å; D224-E227 VanDerWaalsContact O-N 3.12Å; D224-K232 WeakPolarHBondContact O-CE 3.31Å |
| 225 | S | 62.3 | Low | 75.3 | Confident | 97 Ų | 97 | 83.7 Ų | 83.7 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.6 | -179.4 | 56 | 0 | 0 | 0 | 0 | 113.4 | K232 | S225-K232 PolarHBondContact O-NZ 3.29Š|
| 226 | D | 69.7 | Low | 75 | Confident | 150 Ų | 150 | 90.2 Ų | 90.2 | 80% | 0.802 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.9 | -172.2 | -60.8 | -3 | 0 | 0 | 0 | 112.7 | D224 | D224-D226 PolarHBondContact O-N 2.88Š|
| 227 | E | 68.5 | Low | 74.9 | Confident | 70 Ų | 70 | 88.3 Ų | 88.3 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -74.9 | 151.4 | 177.4 | -66 | -170 | 141.7 | 0 | 0 | 112.5 | C223 D224 F231 K232 | C223-E227 VanDerWaalsContact CB-OE2 3.24Å; C223-E227 WeakPolarHBondContact CB-OE2 3.27Å; C223-E227 PolarHBondContact SG-OE2 3.17Å; D224-E227 HydrophobicContact CB-CG 4.22Å; D224-E227 PolarHBondContact O-N 3.31Å; D224-E227 VanDerWaalsContact O-N 3.12Å; E227-F231 HydrophobicContact CB-CD1 4.25Å; E227-F231 HydrophobicContact CG-CD1 4.48Å; E227-F231 WeakPolarHBondContact OE2-CD1 3.49Å; E227-F231 WeakPolarHBondContact OE2-CE1 3.36Å; E227-K232 WeakPolarHBondContact O-CE 3.42Å; E227-K232 PolarHBondContact O-NZ 3.02Å |
| 228 | D | 77 | Confident | 74.6 | Confident | 127 Ų | 127 | 87.2 Ų | 87.2 | 68% | 0.679 | 44% | 0.435 | S | S | * | . | trans | -55.9 | 139.5 | 179.4 | -67.6 | -42.2 | 0 | 0 | 0 | 111.1 | D230 F231 K232 | D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 VanDerWaalsContact O-N 3.16Å; D228-F231 HydrophobicContact CB-CB 4.42Å; D228-F231 WeakPolarHBondContact O-CA 3.47Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.91Å; D228-K232 PolarHBondContact O-N 2.92Å | ||
| 229 | E | 78 | Confident | 74.5 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 66% | 0.664 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.3 | -34.4 | 177.4 | -69.8 | -66.8 | 135.6 | 0 | 0 | 112.1 | F231 K232 Q233 | E229-F231 VanDerWaalsContact C-N 3.33Å; E229-F231 PolarHBondContact O-N 2.79Å; E229-K232 PolarHBondContact O-N 3.16Å; E229-K232 IonicContact OE1-NZ 2.73Å; E229-Q233 WeakPolarHBondContact O-CB 3.32Å; E229-Q233 PolarHBondContact O-N 2.91Å |
| 230 | D | 78.7 | Confident | 74.9 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 68% | 0.679 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 175.7 | -70 | -24.8 | 0 | 0 | 0 | 112.2 | D228 Q234 | D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 VanDerWaalsContact O-N 3.16Å; D230-Q234 VanDerWaalsContact O-CG 3.29Å; D230-Q234 WeakPolarHBondContact O-CG 3.37Å; D230-Q234 PolarHBondContact O-N 3.04Å; D230-Q234 VanDerWaalsContact O-N 3.08Å |
| 231 | F | 76.9 | Confident | 75.3 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 28% | 0.276 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.3 | -43.2 | 177.6 | -171.9 | -96.1 | 0 | 0 | 0 | 110.9 | E227 D228 E229 Q233 Q234 D235 T290 | E227-F231 HydrophobicContact CB-CD1 4.25Å; E227-F231 HydrophobicContact CG-CD1 4.48Å; E227-F231 WeakPolarHBondContact OE2-CD1 3.49Å; E227-F231 WeakPolarHBondContact OE2-CE1 3.36Å; D228-F231 HydrophobicContact CB-CB 4.42Å; D228-F231 WeakPolarHBondContact O-CA 3.47Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.91Å; E229-F231 VanDerWaalsContact C-N 3.33Å; E229-F231 PolarHBondContact O-N 2.79Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.5Å; F231-Q234 PolarHBondContact O-N 3.47Å; F231-D235 PolarHBondContact O-N 3.37Å; F231-T290 HydrophobicContact CE2-CG2 3.87Å |
| 232 | K | 78 | Confident | 75.9 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 174.1 | -68.8 | 174.1 | 179.5 | 148.7 | 0 | 112.4 | C223 D224 S225 E227 D228 E229 R236 | C223-K232 HydrophobicContact CB-CG 3.98Å; D224-K232 WeakPolarHBondContact O-CE 3.31Å; S225-K232 PolarHBondContact O-NZ 3.29Å; E227-K232 WeakPolarHBondContact O-CE 3.42Å; E227-K232 PolarHBondContact O-NZ 3.02Å; D228-K232 PolarHBondContact O-N 2.92Å; E229-K232 PolarHBondContact O-N 3.16Å; E229-K232 IonicContact OE1-NZ 2.73Å; K232-R236 WeakPolarHBondContact O-CB 3.14Å; K232-R236 PolarHBondContact O-N 3.04Å |
| 233 | Q | 81 | Confident | 77.1 | Confident | 85 Ų | 85 | 78.1 Ų | 78.1 | 40% | 0.397 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 176.3 | -178.5 | 59.1 | 28.4 | 0 | 0 | 111.3 | E229 F231 R236 E237 | E229-Q233 WeakPolarHBondContact O-CB 3.32Å; E229-Q233 PolarHBondContact O-N 2.91Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.5Å; Q233-R236 PolarHBondContact O-N 3.09Å; Q233-E237 PolarHBondContact NE2-OE1 2.89Å; Q233-E237 WeakPolarHBondContact O-CG 3.49Å; Q233-E237 PolarHBondContact O-N 2.8Å |
| 234 | Q | 77.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 76.5 Ų | 76.5 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 175.4 | -74.7 | 174.9 | 27.2 | 0 | 0 | 111.9 | D230 F231 E237 L238 | D230-Q234 VanDerWaalsContact O-CG 3.29Å; D230-Q234 WeakPolarHBondContact O-CG 3.37Å; D230-Q234 PolarHBondContact O-N 3.04Å; D230-Q234 VanDerWaalsContact O-N 3.08Å; F231-Q234 PolarHBondContact O-N 3.47Å; Q234-E237 PolarHBondContact O-N 2.96Å; Q234-L238 VanDerWaalsContact O-CG 3.23Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.12Å |
| 235 | D | 79.6 | Confident | 79.9 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 177.5 | 178.4 | 59.4 | 0 | 0 | 0 | 112 | C223 F231 E237 L238 K239 H291 | C223-D235 VanDerWaalsContact SG-CB 3.54Å; F231-D235 PolarHBondContact O-N 3.37Å; D235-E237 PolarHBondContact O-N 3.11Å; D235-L238 WeakPolarHBondContact O-CB 3.38Å; D235-L238 PolarHBondContact O-N 3.01Å; D235-L238 VanDerWaalsContact O-N 3.14Å; D235-K239 WeakPolarHBondContact O-CG 3.34Å; D235-K239 PolarHBondContact O-N 2.95Å; D235-K239 IonicContact OD1-NZ 2.77Å; D235-K239 WeakPolarHBondContact OD2-CD 3.35Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 2.65Å; D235-K239 PolarHBondContact OD2-NZ 3.02Å; D235-H291 IonicContact OD1-NE2 3.79Å |
| 236 | R | 81.7 | Confident | 81.3 | Confident | 144 Ų | 144 | 66.6 Ų | 66.6 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.6 | -170.8 | -178.4 | -59.7 | 179.7 | 4.1 | 111.9 | K232 Q233 L238 K239 E240 | K232-R236 WeakPolarHBondContact O-CB 3.14Å; K232-R236 PolarHBondContact O-N 3.04Å; Q233-R236 PolarHBondContact O-N 3.09Å; R236-L238 VanDerWaalsContact C-N 3.28Å; R236-L238 PolarHBondContact O-N 3.13Å; R236-K239 PolarHBondContact O-N 3.36Å; R236-E240 WeakPolarHBondContact O-CG 3.43Å; R236-E240 PolarHBondContact O-N 2.68Å |
| 237 | E | 82.3 | Confident | 82.3 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 176.5 | -75.2 | 178 | -163.7 | 0 | 0 | 112.2 | Q233 Q234 D235 S241 | Q233-E237 PolarHBondContact NE2-OE1 2.89Å; Q233-E237 WeakPolarHBondContact O-CG 3.49Å; Q233-E237 PolarHBondContact O-N 2.8Å; Q234-E237 PolarHBondContact O-N 2.96Å; D235-E237 PolarHBondContact O-N 3.11Å; E237-S241 WeakPolarHBondContact O-CB 3.23Å; E237-S241 PolarHBondContact O-N 2.89Å; E237-S241 PolarHBondContact O-OG 2.93Å |
| 238 | L | 82.7 | Confident | 83 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -47.7 | 174.6 | -71.9 | 173.1 | 0 | 0 | 0 | 111.4 | F220 Q234 D235 R236 E240 S241 A242 F244 K282 M286 | F220-L238 HydrophobicContact CE1-CB 4.33Å; F220-L238 HydrophobicContact CZ-CB 4.42Å; Q234-L238 VanDerWaalsContact O-CG 3.23Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.12Å; D235-L238 WeakPolarHBondContact O-CB 3.38Å; D235-L238 PolarHBondContact O-N 3.01Å; D235-L238 VanDerWaalsContact O-N 3.14Å; R236-L238 VanDerWaalsContact C-N 3.28Å; R236-L238 PolarHBondContact O-N 3.13Å; L238-E240 PolarHBondContact O-N 3.48Å; L238-S241 PolarHBondContact O-N 3.48Å; L238-A242 PolarHBondContact O-N 2.97Å; L238-F244 HydrophobicContact CD2-CE1 3.95Å; L238-F244 HydrophobicContact CD2-CZ 4.07Å; L238-K282 HydrophobicContact CD2-CB 3.72Å; L238-K282 HydrophobicContact CD2-CG 4.31Å; L238-M286 HydrophobicContact CD1-CB 4.5Å; L238-M286 HydrophobicContact CD2-CB 4.37Å |
| 239 | K | 81.5 | Confident | 83.2 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.6 | -48.1 | 175.6 | -76.2 | 170.8 | 175.3 | 163.7 | 0 | 111.6 | F220 P221 D235 R236 S241 A242 | F220-K239 HydrophobicContact CB-CD 4.16Å; F220-K239 HydrophobicContact CB-CG 3.79Å; F220-K239 HydrophobicContact CD2-CB 4.41Å; F220-K239 HydrophobicContact CD2-CG 3.58Å; F220-K239 HydrophobicContact CE2-CG 4.41Å; F220-K239 HydrophobicContact CG-CG 3.87Å; F220-K239 WeakPolarHBondContact O-CE 3.32Å; P221-K239 PolarHBondContact O-NZ 3.4Å; D235-K239 WeakPolarHBondContact O-CG 3.34Å; D235-K239 PolarHBondContact O-N 2.95Å; D235-K239 IonicContact OD1-NZ 2.77Å; D235-K239 WeakPolarHBondContact OD2-CD 3.35Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 2.65Å; D235-K239 PolarHBondContact OD2-NZ 3.02Å; R236-K239 PolarHBondContact O-N 3.36Å; K239-S241 VanDerWaalsContact C-N 3.3Å; K239-S241 PolarHBondContact O-N 2.86Å; K239-A242 PolarHBondContact O-N 3.23Å |
| 240 | E | 82.4 | Confident | 83.2 | Confident | 127 Ų | 127 | 48.7 Ų | 48.7 | 59% | 0.593 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.5 | -31.7 | 178.6 | -71.8 | 178.6 | -170.4 | 0 | 0 | 112.9 | R207 R236 L238 A242 | R207-E240 PolarHBondContact NH2-O 3.34Å; R207-E240 VanDerWaalsContact NH2-O 3.15Å; R236-E240 WeakPolarHBondContact O-CG 3.43Å; R236-E240 PolarHBondContact O-N 2.68Å; L238-E240 PolarHBondContact O-N 3.48Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 2.56Å |
| 241 | S | 82.1 | Confident | 83.3 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -76.5 | -14.6 | -179.4 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | K203 E237 L238 K239 P243 K282 | K203-S241 PolarHBondContact NZ-O 3.39Å; E237-S241 WeakPolarHBondContact O-CB 3.23Å; E237-S241 PolarHBondContact O-N 2.89Å; E237-S241 PolarHBondContact O-OG 2.93Å; L238-S241 PolarHBondContact O-N 3.48Å; K239-S241 VanDerWaalsContact C-N 3.3Å; K239-S241 PolarHBondContact O-N 2.86Å; S241-P243 CarbonylContact O-C 3.59Å; S241-K282 WeakPolarHBondContact OG-CD 3.36Å; S241-K282 PolarHBondContact OG-NZ 3.42Å |
| 242 | A | 83.2 | Confident | 83.5 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 133.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R207 F220 L238 K239 E240 | R207-A242 PolarHBondContact NE-O 3.43Å; F220-A242 HydrophobicContact CE2-CB 4.28Å; L238-A242 PolarHBondContact O-N 2.97Å; K239-A242 PolarHBondContact O-N 3.23Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 2.56Å |
| 243 | P | 89.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | S | Bend | cis | -72.8 | 141.4 | -3.2 | 30.6 | -35.5 | 0 | 0 | 0 | 113.3 | P186 I188 K203 I206 S241 A245 | P186-P243 HydrophobicContact CB-CB 3.97Å; P186-P243 HydrophobicContact CG-CB 3.96Å; P186-P243 WeakPolarHBondContact O-CA 3.33Å; P186-P243 VanDerWaalsContact O-CB 3.31Å; P186-P243 WeakPolarHBondContact O-CB 3.48Å; I188-P243 HydrophobicContact CD1-CG 4.03Å; I188-P243 HydrophobicContact CG1-CB 4.41Å; I188-P243 HydrophobicContact CG1-CG 4.24Å; K203-P243 HydrophobicContact CB-CG 4.46Å; K203-P243 WeakPolarHBondContact CE-O 3.27Å; K203-P243 HydrophobicContact CG-CG 4.1Å; K203-P243 PolarHBondContact NZ-O 2.84Å; I206-P243 HydrophobicContact CB-CG 4.29Å; I206-P243 HydrophobicContact CD1-CG 4.25Å; I206-P243 HydrophobicContact CG2-CG 3.99Å; S241-P243 CarbonylContact O-C 3.59Å; P243-A245 PolarHBondContact O-N 2.88Å |
| 244 | F | 91.5 | Very high | 83.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.5 | -174.2 | -61 | -71.7 | 0 | 0 | 0 | 111.9 | V185 P186 L187 I188 F220 L238 V246 D279 K282 L283 | V185-F244 HydrophobicContact CG1-CD2 4.04Å; V185-F244 HydrophobicContact CG1-CE2 4.09Å; P186-F244 PolarHBondContact O-N 3Å; L187-F244 CarbonylContact C-O 3.12Å; L187-F244 WeakPolarHBondContact CA-O 3.38Å; L187-F244 HydrophobicContact CD2-CB 3.77Å; L187-F244 HydrophobicContact CD2-CD2 3.91Å; L187-F244 HydrophobicContact CD2-CG 4.33Å; I188-F244 PolarHBondContact N-O 2.84Å; F220-F244 HydrophobicContact CZ-CE2 4.24Å; F220-F244 AromaticContact CZ-CZ 3.96Å; F220-F244 HydrophobicContact CZ-CZ 3.96Å; L238-F244 HydrophobicContact CD2-CE1 3.95Å; L238-F244 HydrophobicContact CD2-CZ 4.07Å; F244-V246 HydrophobicContact CB-CG1 4.1Å; F244-V246 PolarHBondContact O-N 2.84Å; F244-D279 HydrophobicContact CB-CB 4.22Å; F244-D279 HydrophobicContact CD1-CB 4.06Å; F244-K282 HydrophobicContact CD1-CB 4.2Å; F244-K282 HydrophobicContact CE1-CB 3.99Å; F244-L283 HydrophobicContact CD2-CB 4.45Å; F244-L283 HydrophobicContact CD2-CD1 3.86Å; F244-L283 HydrophobicContact CE2-CD1 4.21Å; F244-L283 HydrophobicContact CG-CB 4.38Å |
| 245 | A | 92.6 | Very high | 83.8 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 106.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | A191 I199 P243 D279 | A191-A245 HydrophobicContact CB-CB 3.73Å; I199-A245 HydrophobicContact CG2-CB 4.01Å; P243-A245 PolarHBondContact O-N 2.88Å; A245-D279 PolarHBondContact N-OD2 3.08Å; A245-D279 PolarHBondContact O-N 3Å |
| 246 | V | 91.9 | Very high | 83.8 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | trans | -115.2 | 149.1 | -169 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | L60 L187 I188 K190 A191 F244 L283 | L60-V246 HydrophobicContact CD1-CB 4.07Å; L60-V246 HydrophobicContact CD1-CG2 4.09Å; L60-V246 HydrophobicContact CD2-CG2 4.03Å; L187-V246 HydrophobicContact CB-CG2 4.16Å; L187-V246 HydrophobicContact CD1-CG2 4.39Å; L187-V246 HydrophobicContact CD2-CG1 4.43Å; I188-V246 WeakPolarHBondContact O-CG2 3.44Å; I188-V246 PolarHBondContact O-N 3.44Å; K190-V246 PolarHBondContact N-O 2.92Å; A191-V246 PolarHBondContact N-O 3.39Å; F244-V246 HydrophobicContact CB-CG1 4.1Å; F244-V246 PolarHBondContact O-N 2.84Å; V246-L283 HydrophobicContact CG1-CB 4.4Å; V246-L283 HydrophobicContact CG1-CD2 3.82Å | ||
| 247 | I | 90.2 | Very high | 83.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | trans | -128.4 | 125.6 | 175.1 | -55 | 171.7 | 0 | 0 | 0 | 106.7 | A191 D192 R263 V270 V272 C278 | A191-I247 HydrophobicContact CB-CD1 4.5Å; A191-I247 HydrophobicContact CB-CG1 3.96Å; D192-I247 HydrophobicContact CB-CD1 3.82Å; D192-I247 HydrophobicContact CB-CG1 4.32Å; I247-R263 HydrophobicContact CG2-CG 4.32Å; I247-V270 HydrophobicContact CD1-CG1 3.54Å; I247-V272 HydrophobicContact CB-CG2 4.41Å; I247-V272 HydrophobicContact CG2-CG2 4.12Å; I247-V272 WeakPolarHBondContact O-CG1 3.37Å; I247-C278 HydrophobicContact CB-CB 4.36Å; I247-C278 HydrophobicContact CD1-CB 3.72Å; I247-C278 HydrophobicContact CG1-CB 3.84Å | ||
| 248 | G | 84.3 | Confident | 83.6 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | -98.3 | 137 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 249 | S | 81.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 4% | 0.035 | 32% | 0.319 | C | S | . | . | trans | -142 | 136.5 | 169.1 | -171.1 | 0 | 0 | 0 | 0 | 111.6 | T251 G262 | S249-T251 PolarHBondContact OG-N 3.11Å; S249-T251 PolarHBondContact OG-O 3.49Å; S249-T251 PolarHBondContact OG-OG1 3.02Å; S249-G262 PolarHBondContact OG-O 3.3Å | ||
| 250 | N | 78.1 | Confident | 83.6 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | trans | -97.4 | -9.2 | 171.3 | -65.5 | -4.4 | 0 | 0 | 0 | 111.8 | T59 | T59-N250 WeakPolarHBondContact CG2-OD1 3.48Š| ||
| 251 | T | 79.7 | Confident | 83.6 | Confident | 81 Ų | 81 | 55.4 Ų | 55.4 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | trans | -91.7 | 129 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | S249 G262 | S249-T251 PolarHBondContact OG-N 3.11Å; S249-T251 PolarHBondContact OG-O 3.49Å; S249-T251 PolarHBondContact OG-OG1 3.02Å; T251-G262 PolarHBondContact O-N 3.19Å; T251-G262 VanDerWaalsContact O-N 3.1Å; T251-G262 VanDerWaalsContact O-O 3.1Å; T251-G262 PolarHBondContact OG1-O 3.4Å | ||
| 252 | V | 81.9 | Confident | 83.7 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 44% | 0.436 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.5 | 170.5 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | R259 R261 | V252-R259 HydrophobicContact CG1-CB 3.76Å; V252-R261 HydrophobicContact CG2-CG 4.26Å |
| 253 | V | 84.1 | Confident | 83.9 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.1 | 178.3 | -65.9 | 0 | 0 | 0 | 0 | 108.9 | V260 L264 I269 | V253-V260 HydrophobicContact CG2-CG2 4.14Å; V253-V260 WeakPolarHBondContact CG2-O 3.29Å; V253-V260 PolarHBondContact N-O 3.3Å; V253-V260 PolarHBondContact O-N 3.15Å; V253-L264 HydrophobicContact CG1-CB 4.39Å; V253-I269 HydrophobicContact CG2-CG2 3.58Å |
| 254 | E | 83 | Confident | 83.8 | Confident | 145 Ų | 145 | 63.2 Ų | 63.2 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.5 | 175.7 | -166.3 | 174.4 | 165 | 0 | 0 | 108.9 | ||
| 255 | A | 76.1 | Confident | 83.6 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G257 Q258 V260 | A255-G257 PolarHBondContact O-N 2.83Å; A255-G257 VanDerWaalsContact O-N 3.12Å; A255-Q258 PolarHBondContact N-O 2.93Å; A255-Q258 PolarHBondContact O-N 2.93Å; A255-Q258 VanDerWaalsContact O-O 3.1Å; A255-V260 HydrophobicContact CB-CG2 3.68Å |
| 256 | K | 78 | Confident | 83.5 | Confident | 198 Ų | 198 | 71.5 Ų | 71.5 | 86% | 0.861 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34 | 178 | -55.6 | 174.4 | -177.5 | 168.2 | 0 | 113.9 | Q258 | K256-Q258 PolarHBondContact O-N 2.97Š|
| 257 | G | 78.6 | Confident | 83.4 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 64% | 0.639 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 5.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | A255 | A255-G257 PolarHBondContact O-N 2.83Å; A255-G257 VanDerWaalsContact O-N 3.12Å |
| 258 | Q | 81.4 | Confident | 83.3 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.4 | 172.4 | -66.9 | -172.1 | -12.1 | 0 | 0 | 110.3 | A255 K256 V260 | A255-Q258 PolarHBondContact N-O 2.93Å; A255-Q258 PolarHBondContact O-N 2.93Å; A255-Q258 VanDerWaalsContact O-O 3.1Å; K256-Q258 PolarHBondContact O-N 2.97Å; Q258-V260 HydrophobicContact CB-CG1 4.12Å; Q258-V260 PolarHBondContact O-N 3.47Å |
| 259 | R | 82.1 | Confident | 83.5 | Confident | 205 Ų | 205 | 84.5 Ų | 84.5 | 77% | 0.774 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 99.4 | 173.2 | -65.4 | -172.9 | 77.7 | -169.6 | 4.8 | 108.3 | V252 | V252-R259 HydrophobicContact CG1-CB 3.76Å |
| 260 | V | 82.7 | Confident | 83.9 | Confident | 21 Ų | 21 | 85.5 Ų | 85.5 | 13% | 0.127 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 147.9 | -177.9 | -63.8 | 0 | 0 | 0 | 0 | 110.2 | V253 A255 Q258 G262 E271 | V253-V260 HydrophobicContact CG2-CG2 4.14Å; V253-V260 WeakPolarHBondContact CG2-O 3.29Å; V253-V260 PolarHBondContact N-O 3.3Å; V253-V260 PolarHBondContact O-N 3.15Å; A255-V260 HydrophobicContact CB-CG2 3.68Å; Q258-V260 HydrophobicContact CB-CG1 4.12Å; Q258-V260 PolarHBondContact O-N 3.47Å; V260-G262 PolarHBondContact O-N 2.85Å; V260-E271 HydrophobicContact CG2-CG 4.01Å |
| 261 | R | 82.1 | Confident | 84.4 | Confident | 53 Ų | 53 | 83 Ų | 83 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.3 | 171.4 | -69.3 | -178.6 | -178.7 | -161 | -2.4 | 108.6 | S63 L66 V252 V272 | S63-R261 PolarHBondContact O-NH1 3Å; L66-R261 VanDerWaalsContact CD2-NH1 3.29Å; V252-R261 HydrophobicContact CG2-CG 4.26Å; R261-V272 PolarHBondContact O-N 2.61Å |
| 262 | G | 84.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 165.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S249 T251 V260 V270 | S249-G262 PolarHBondContact OG-O 3.3Å; T251-G262 PolarHBondContact O-N 3.19Å; T251-G262 VanDerWaalsContact O-N 3.1Å; T251-G262 VanDerWaalsContact O-O 3.1Å; T251-G262 PolarHBondContact OG1-O 3.4Å; V260-G262 PolarHBondContact O-N 2.85Å; G262-V270 CarbonylContact C-O 3.51Å; G262-V270 WeakPolarHBondContact CA-O 3.15Å |
| 263 | R | 86.4 | Confident | 84.8 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.9 | 173 | -61.4 | -175.6 | 70.9 | 179.5 | 4.7 | 108.6 | D192 I247 Y265 V270 | D192-R263 IonicContact OD1-NH1 3.51Å; D192-R263 PolarHBondContact OD1-NH1 3.38Å; D192-R263 WeakPolarHBondContact OD2-CD 3.24Å; D192-R263 IonicContact OD2-CZ 3.36Å; D192-R263 VanDerWaalsContact OD2-CZ 3.3Å; D192-R263 IonicContact OD2-NE 3.25Å; D192-R263 IonicContact OD2-NH1 3.95Å; D192-R263 PolarHBondContact OD2-NH1 3.18Å; I247-R263 HydrophobicContact CG2-CG 4.32Å; R263-Y265 HydrophobicContact CB-CD2 4.46Å; R263-Y265 HydrophobicContact CB-CE2 3.89Å; R263-Y265 PolarHBondContact NE-OH 2.98Å; R263-Y265 PolarHBondContact NH1-OH 3.35Å; R263-Y265 PolarHBondContact NH2-OH 2.99Å; R263-V270 PolarHBondContact N-O 3.45Å; R263-V270 PolarHBondContact O-N 2.91Å |
| 264 | L | 87.9 | Confident | 84.9 | Confident | 123 Ų | 123 | 80.7 Ų | 80.7 | 64% | 0.644 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.3 | 175.8 | -178 | 67.1 | 0 | 0 | 0 | 109.3 | V253 I269 | V253-L264 HydrophobicContact CG1-CB 4.39Å; L264-I269 HydrophobicContact CD1-CD1 4.18Å; L264-I269 HydrophobicContact CD1-CG1 3.54Å |
| 265 | Y | 88.7 | Confident | 85.1 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 158.9 | 171.2 | -70.3 | -72.2 | 0 | 0 | 0 | 110.4 | D192 R263 W267 G268 V270 | D192-Y265 HydrophobicContact CB-CE2 4.41Å; D192-Y265 PolarHBondContact OD2-OH 2.96Å; R263-Y265 HydrophobicContact CB-CD2 4.46Å; R263-Y265 HydrophobicContact CB-CE2 3.89Å; R263-Y265 PolarHBondContact NE-OH 2.98Å; R263-Y265 PolarHBondContact NH1-OH 3.35Å; R263-Y265 PolarHBondContact NH2-OH 2.99Å; Y265-W267 VanDerWaalsContact CB-CE2 3.49Å; Y265-W267 AromaticContact CD1-CH2 3.9Å; Y265-W267 HydrophobicContact CD1-CH2 3.9Å; Y265-W267 AromaticContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD2-CZ2 4.38Å; Y265-W267 HydrophobicContact CE1-CZ2 4.14Å; Y265-W267 AromaticContact CG-CE2 3.76Å; Y265-W267 HydrophobicContact CG-CH2 4.39Å; Y265-W267 AromaticContact CG-CZ2 3.66Å; Y265-W267 HydrophobicContact CG-CZ2 3.66Å; Y265-W267 AromaticContact CG-NE1 3.88Å; Y265-W267 PolarHBondContact O-N 3.47Å; Y265-W267 VanDerWaalsContact O-N 3.11Å; Y265-G268 WeakPolarHBondContact CA-O 3.36Å; Y265-G268 WeakPolarHBondContact CB-O 3.36Å; Y265-G268 PolarHBondContact N-O 3.48Å; Y265-G268 PolarHBondContact O-N 2.77Å; Y265-G268 VanDerWaalsContact O-N 3.12Å; Y265-G268 VanDerWaalsContact O-O 3.07Å; Y265-V270 HydrophobicContact CD2-CG2 3.9Å; Y265-V270 HydrophobicContact CE2-CG2 3.98Å |
| 266 | P | 90.4 | Very high | 85.5 | Confident | 130 Ų | 130 | 82.9 Ų | 82.9 | 84% | 0.844 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -27.3 | 174.8 | -26.1 | 35.3 | 0 | 0 | 0 | 113.9 | ||
| 267 | W | 89.6 | Confident | 85.9 | Confident | 204 Ų | 204 | 77.7 Ų | 77.7 | 77% | 0.773 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.4 | -179.6 | 52.8 | 82.3 | 0 | 0 | 0 | 114.7 | Y265 | Y265-W267 VanDerWaalsContact CB-CE2 3.49Å; Y265-W267 AromaticContact CD1-CH2 3.9Å; Y265-W267 HydrophobicContact CD1-CH2 3.9Å; Y265-W267 AromaticContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD2-CZ2 4.38Å; Y265-W267 HydrophobicContact CE1-CZ2 4.14Å; Y265-W267 AromaticContact CG-CE2 3.76Å; Y265-W267 HydrophobicContact CG-CH2 4.39Å; Y265-W267 AromaticContact CG-CZ2 3.66Å; Y265-W267 HydrophobicContact CG-CZ2 3.66Å; Y265-W267 AromaticContact CG-NE1 3.88Å; Y265-W267 PolarHBondContact O-N 3.47Å; Y265-W267 VanDerWaalsContact O-N 3.11Å |
| 268 | G | 88 | Confident | 86.3 | Confident | 32 Ų | 32 | 75 Ų | 75 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y265 | Y265-G268 WeakPolarHBondContact CA-O 3.36Å; Y265-G268 WeakPolarHBondContact CB-O 3.36Å; Y265-G268 PolarHBondContact N-O 3.48Å; Y265-G268 PolarHBondContact O-N 2.77Å; Y265-G268 VanDerWaalsContact O-N 3.12Å; Y265-G268 VanDerWaalsContact O-O 3.07Å |
| 269 | I | 88.8 | Confident | 86.6 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.9 | -179.6 | -63 | 167.7 | 0 | 0 | 0 | 109 | V253 L264 E271 | V253-I269 HydrophobicContact CG2-CG2 3.58Å; L264-I269 HydrophobicContact CD1-CD1 4.18Å; L264-I269 HydrophobicContact CD1-CG1 3.54Å; I269-E271 HydrophobicContact CG2-CG 4.46Å |
| 270 | V | 89.1 | Confident | 87 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 16% | 0.158 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 101.7 | 173.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | I247 G262 R263 Y265 H277 | I247-V270 HydrophobicContact CD1-CG1 3.54Å; G262-V270 CarbonylContact C-O 3.51Å; G262-V270 WeakPolarHBondContact CA-O 3.15Å; R263-V270 PolarHBondContact N-O 3.45Å; R263-V270 PolarHBondContact O-N 2.91Å; Y265-V270 HydrophobicContact CD2-CG2 3.9Å; Y265-V270 HydrophobicContact CE2-CG2 3.98Å; V270-H277 HydrophobicContact CG1-CB 4.25Å |
| 271 | E | 88.4 | Confident | 87.2 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.3 | 174.1 | -60.4 | 173.6 | -177.3 | 0 | 0 | 110.8 | V260 I269 N274 H277 | V260-E271 HydrophobicContact CG2-CG 4.01Å; I269-E271 HydrophobicContact CG2-CG 4.46Å; E271-N274 HydrophobicContact CB-CB 3.68Å; E271-N274 PolarHBondContact OE2-ND2 2.93Å; E271-H277 PolarHBondContact N-ND1 2.95Å |
| 272 | V | 86.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -29.1 | -179 | 172 | 0 | 0 | 0 | 0 | 111.9 | I247 R261 N274 C278 F280 | I247-V272 HydrophobicContact CB-CG2 4.41Å; I247-V272 HydrophobicContact CG2-CG2 4.12Å; I247-V272 WeakPolarHBondContact O-CG1 3.37Å; R261-V272 PolarHBondContact O-N 2.61Å; V272-N274 VanDerWaalsContact C-N 3.28Å; V272-N274 PolarHBondContact O-N 2.86Å; V272-C278 PolarHBondContact O-SG 3.21Å; V272-F280 HydrophobicContact CG1-CB 4Å; V272-F280 HydrophobicContact CG1-CD1 3.53Å; V272-F280 HydrophobicContact CG1-CD2 4.02Å; V272-F280 HydrophobicContact CG1-CE1 3.96Å; V272-F280 HydrophobicContact CG1-CE2 4.4Å; V272-F280 HydrophobicContact CG1-CG 3.56Å; V272-F280 HydrophobicContact CG1-CZ 4.38Å; V272-F280 WeakPolarHBondContact O-CB 3.24Å |
| 273 | E | 83.9 | Confident | 87.7 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2 | 179.9 | -60.6 | -166.4 | 122.3 | 0 | 0 | 113.2 | V281 R284 | E273-V281 HydrophobicContact CB-CG2 4.39Å; E273-V281 WeakPolarHBondContact O-CG2 3.5Å; E273-R284 IonicContact OE1-CZ 3.7Å; E273-R284 IonicContact OE1-NH1 3.44Å; E273-R284 PolarHBondContact OE1-NH1 2.88Å; E273-R284 IonicContact OE1-NH2 2.78Å |
| 274 | N | 86 | Confident | 87.7 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | trans | -91.3 | 117.2 | -179.8 | -166.5 | -29 | 0 | 0 | 0 | 110.6 | E271 V272 A276 H277 C278 | E271-N274 HydrophobicContact CB-CB 3.68Å; E271-N274 PolarHBondContact OE2-ND2 2.93Å; V272-N274 VanDerWaalsContact C-N 3.28Å; V272-N274 PolarHBondContact O-N 2.86Å; N274-A276 PolarHBondContact O-N 2.9Å; N274-A276 WeakPolarHBondContact OD1-CB 3.48Å; N274-A276 PolarHBondContact OD1-N 2.96Å; N274-H277 HydrophobicContact CB-CB 4.4Å; N274-H277 PolarHBondContact O-N 3.3Å; N274-C278 PolarHBondContact O-N 2.89Å; N274-C278 VanDerWaalsContact O-N 3.08Å | ||
| 275 | Q | 86.7 | Confident | 87.6 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22 | -179.6 | -63.6 | -178.2 | 22 | 0 | 0 | 113.3 | H277 V281 | Q275-H277 VanDerWaalsContact C-N 3.31Å; Q275-V281 HydrophobicContact CG-CB 4.09Å; Q275-V281 HydrophobicContact CG-CG1 4.39Å; Q275-V281 HydrophobicContact CG-CG2 4.36Å |
| 276 | A | 85.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 50.6 Ų | 50.6 | 73% | 0.727 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -22.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | N274 | N274-A276 PolarHBondContact O-N 2.9Å; N274-A276 WeakPolarHBondContact OD1-CB 3.48Å; N274-A276 PolarHBondContact OD1-N 2.96Å |
| 277 | H | 85.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -40 | -178.7 | -66.6 | 175.8 | 0 | 0 | 0 | 112.4 | V270 E271 N274 Q275 | V270-H277 HydrophobicContact CG1-CB 4.25Å; E271-H277 PolarHBondContact N-ND1 2.95Å; N274-H277 HydrophobicContact CB-CB 4.4Å; N274-H277 PolarHBondContact O-N 3.3Å; Q275-H277 VanDerWaalsContact C-N 3.31Å |
| 278 | C | 87.1 | Confident | 86.7 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | trans | -154.4 | 159.8 | 179 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | I247 V272 N274 F280 | I247-C278 HydrophobicContact CB-CB 4.36Å; I247-C278 HydrophobicContact CD1-CB 3.72Å; I247-C278 HydrophobicContact CG1-CB 3.84Å; V272-C278 PolarHBondContact O-SG 3.21Å; N274-C278 PolarHBondContact O-N 2.89Å; N274-C278 VanDerWaalsContact O-N 3.08Å; C278-F280 PolarHBondContact O-N 2.84Å; C278-F280 VanDerWaalsContact SG-CB 3.57Å | ||
| 279 | D | 89 | Confident | 86.2 | Confident | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 17.8 | 179.1 | -63.3 | -48.7 | 0 | 0 | 0 | 112.4 | K203 F244 A245 V281 K282 L283 | K203-D279 IonicContact NZ-OD2 3.96Å; K203-D279 PolarHBondContact NZ-OD2 3Å; F244-D279 HydrophobicContact CB-CB 4.22Å; F244-D279 HydrophobicContact CD1-CB 4.06Å; A245-D279 PolarHBondContact N-OD2 3.08Å; A245-D279 PolarHBondContact O-N 3Å; D279-V281 VanDerWaalsContact C-N 3.32Å; D279-V281 PolarHBondContact O-N 3.14Å; D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.26Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.36Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 3.6Å; D279-K282 PolarHBondContact OD1-NZ 3.11Å; D279-L283 PolarHBondContact O-N 2.94Å |
| 280 | F | 89.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | -178.3 | 176.4 | -97.3 | 0 | 0 | 0 | 112.5 | L60 S63 L64 V272 C278 K282 L283 R284 | L60-F280 HydrophobicContact CD1-CD2 3.77Å; L60-F280 HydrophobicContact CD1-CE2 3.78Å; S63-F280 VanDerWaalsContact OG-CZ 3.3Å; S63-F280 WeakPolarHBondContact OG-CZ 3.46Å; L64-F280 HydrophobicContact CD2-CD2 4.34Å; L64-F280 HydrophobicContact CD2-CE2 3.56Å; L64-F280 HydrophobicContact CD2-CZ 3.81Å; L64-F280 HydrophobicContact CG-CE2 3.85Å; L64-F280 HydrophobicContact CG-CZ 4.2Å; V272-F280 HydrophobicContact CG1-CB 4Å; V272-F280 HydrophobicContact CG1-CD1 3.53Å; V272-F280 HydrophobicContact CG1-CD2 4.02Å; V272-F280 HydrophobicContact CG1-CE1 3.96Å; V272-F280 HydrophobicContact CG1-CE2 4.4Å; V272-F280 HydrophobicContact CG1-CG 3.56Å; V272-F280 HydrophobicContact CG1-CZ 4.38Å; V272-F280 WeakPolarHBondContact O-CB 3.24Å; C278-F280 PolarHBondContact O-N 2.84Å; C278-F280 VanDerWaalsContact SG-CB 3.57Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 2.89Å; F280-L283 PolarHBondContact O-N 3.19Å; F280-R284 WeakPolarHBondContact O-CB 3.43Å; F280-R284 PolarHBondContact O-N 2.64Å |
| 281 | V | 87.1 | Confident | 85.3 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.3 | E273 Q275 D279 R284 N285 | E273-V281 HydrophobicContact CB-CG2 4.39Å; E273-V281 WeakPolarHBondContact O-CG2 3.5Å; Q275-V281 HydrophobicContact CG-CB 4.09Å; Q275-V281 HydrophobicContact CG-CG1 4.39Å; Q275-V281 HydrophobicContact CG-CG2 4.36Å; D279-V281 VanDerWaalsContact C-N 3.32Å; D279-V281 PolarHBondContact O-N 3.14Å; V281-R284 PolarHBondContact O-N 2.95Å; V281-N285 WeakPolarHBondContact O-CB 3.43Å; V281-N285 PolarHBondContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.43Å |
| 282 | K | 87.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 176.3 | -68.2 | -178.5 | -171.9 | 160 | 0 | 110.8 | L238 S241 F244 D279 F280 R284 N285 M286 | L238-K282 HydrophobicContact CD2-CB 3.72Å; L238-K282 HydrophobicContact CD2-CG 4.31Å; S241-K282 WeakPolarHBondContact OG-CD 3.36Å; S241-K282 PolarHBondContact OG-NZ 3.42Å; F244-K282 HydrophobicContact CD1-CB 4.2Å; F244-K282 HydrophobicContact CE1-CB 3.99Å; D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.26Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.36Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 3.6Å; D279-K282 PolarHBondContact OD1-NZ 3.11Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 2.89Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å; K282-N285 PolarHBondContact O-N 2.78Å; K282-M286 WeakPolarHBondContact O-CB 3.47Å; K282-M286 PolarHBondContact O-N 2.75Å |
| 283 | L | 89.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 174.5 | 178.5 | 65.1 | 0 | 0 | 0 | 111.7 | L60 L64 L157 V185 L187 F244 V246 D279 F280 N285 M286 L287 | L60-L283 HydrophobicContact CD2-CD2 4.13Å; L64-L283 HydrophobicContact CD2-CD2 4.42Å; L157-L283 HydrophobicContact CD2-CD1 4.33Å; V185-L283 HydrophobicContact CG1-CD1 4.28Å; L187-L283 HydrophobicContact CD1-CD2 3.72Å; L187-L283 HydrophobicContact CD2-CD1 3.73Å; L187-L283 HydrophobicContact CD2-CD2 3.8Å; L187-L283 HydrophobicContact CD2-CG 4.34Å; L187-L283 HydrophobicContact CG-CD2 4.45Å; F244-L283 HydrophobicContact CD2-CB 4.45Å; F244-L283 HydrophobicContact CD2-CD1 3.86Å; F244-L283 HydrophobicContact CE2-CD1 4.21Å; F244-L283 HydrophobicContact CG-CB 4.38Å; V246-L283 HydrophobicContact CG1-CB 4.4Å; V246-L283 HydrophobicContact CG1-CD2 3.82Å; D279-L283 PolarHBondContact O-N 2.94Å; F280-L283 PolarHBondContact O-N 3.19Å; L283-N285 PolarHBondContact O-N 3.3Å; L283-M286 WeakPolarHBondContact O-CB 3.45Å; L283-M286 PolarHBondContact O-N 2.82Å; L283-L287 HydrophobicContact CD1-CD1 3.84Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.5Å; L283-L287 HydrophobicContact CG-CD1 3.91Å; L283-L287 HydrophobicContact CG-CG 4.46Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 2.79Å |
| 284 | R | 87 | Confident | 85.4 | Confident | 48 Ų | 48 | 47.6 Ų | 47.6 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 179 | -175.3 | 179 | 67.6 | -169.7 | -2.6 | 111.8 | L64 E273 F280 V281 K282 M286 I288 | L64-R284 HydrophobicContact CD2-CB 4.15Å; E273-R284 IonicContact OE1-CZ 3.7Å; E273-R284 IonicContact OE1-NH1 3.44Å; E273-R284 PolarHBondContact OE1-NH1 2.88Å; E273-R284 IonicContact OE1-NH2 2.78Å; F280-R284 WeakPolarHBondContact O-CB 3.43Å; F280-R284 PolarHBondContact O-N 2.64Å; V281-R284 PolarHBondContact O-N 2.95Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å; R284-M286 VanDerWaalsContact C-N 3.34Å; R284-I288 HydrophobicContact CG-CD1 3.86Å; R284-I288 WeakPolarHBondContact O-CB 3.48Å; R284-I288 PolarHBondContact O-N 2.82Å |
| 285 | N | 84.9 | Confident | 85.6 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -37.6 | 178.5 | -71.4 | -12.3 | 0 | 0 | 0 | 111.7 | V281 K282 L283 R289 T290 | V281-N285 WeakPolarHBondContact O-CB 3.43Å; V281-N285 PolarHBondContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.43Å; K282-N285 PolarHBondContact O-N 2.78Å; L283-N285 PolarHBondContact O-N 3.3Å; N285-R289 WeakPolarHBondContact O-CA 3.43Å; N285-R289 WeakPolarHBondContact O-CB 3.48Å; N285-R289 PolarHBondContact O-N 2.97Å; N285-T290 PolarHBondContact O-N 2.95Å; N285-T290 PolarHBondContact O-OG1 2.8Å |
| 286 | M | 85.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -59.8 | -56.3 | 173.9 | -177.5 | -83 | -178 | 0 | 0 | 111 | V185 Y218 F220 L238 K282 L283 R284 I288 T290 H291 L295 | V185-M286 HydrophobicContact CG2-CE 4.14Å; Y218-M286 HydrophobicContact CD1-CE 3.58Å; Y218-M286 HydrophobicContact CE1-CE 3.32Å; F220-M286 HydrophobicContact CE1-CE 3.76Å; F220-M286 HydrophobicContact CE1-CG 3.67Å; F220-M286 HydrophobicContact CZ-CE 4.31Å; F220-M286 HydrophobicContact CZ-CG 4.33Å; L238-M286 HydrophobicContact CD1-CB 4.5Å; L238-M286 HydrophobicContact CD2-CB 4.37Å; K282-M286 WeakPolarHBondContact O-CB 3.47Å; K282-M286 PolarHBondContact O-N 2.75Å; L283-M286 WeakPolarHBondContact O-CB 3.45Å; L283-M286 PolarHBondContact O-N 2.82Å; R284-M286 VanDerWaalsContact C-N 3.34Å; M286-I288 PolarHBondContact O-N 3.44Å; M286-T290 WeakPolarHBondContact CA-OG1 3.2Å; M286-T290 PolarHBondContact O-OG1 2.95Å; M286-H291 HydrophobicContact CE-CB 4.05Å; M286-H291 HydrophobicContact CG-CB 4.33Å; M286-H291 WeakPolarHBondContact O-CB 3.43Å; M286-H291 PolarHBondContact O-N 3.48Å; M286-H291 HydrophobicContact SD-CB 4.31Å; M286-L295 HydrophobicContact CE-CD1 4.12Å; M286-L295 HydrophobicContact CE-CD2 4.39Å; M286-L295 HydrophobicContact CE-CG 4.48Å; M286-L295 HydrophobicContact SD-CD1 4.38Å |
| 287 | L | 84.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -68.2 | -36.7 | -174.2 | -70 | 173 | 0 | 0 | 0 | 114.1 | L47 L64 L157 L283 M292 L295 | L47-L287 HydrophobicContact CD1-CD2 4.29Å; L64-L287 HydrophobicContact CD1-CD1 4.21Å; L157-L287 HydrophobicContact CD1-CD1 4.1Å; L157-L287 HydrophobicContact CD2-CD1 4.17Å; L157-L287 HydrophobicContact CD2-CD2 4.22Å; L283-L287 HydrophobicContact CD1-CD1 3.84Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.5Å; L283-L287 HydrophobicContact CG-CD1 3.91Å; L283-L287 HydrophobicContact CG-CG 4.46Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 2.79Å; L287-M292 WeakPolarHBondContact O-CB 3.35Å; L287-L295 HydrophobicContact CD2-CD1 4.23Å |
| 288 | I | 80.7 | Confident | 86.2 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 30% | 0.303 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -103.5 | -39.8 | -169.7 | -57 | 178.4 | 0 | 0 | 0 | 112.3 | F65 R284 M286 | F65-I288 HydrophobicContact CE1-CD1 4.21Å; R284-I288 HydrophobicContact CG-CD1 3.86Å; R284-I288 WeakPolarHBondContact O-CB 3.48Å; R284-I288 PolarHBondContact O-N 2.82Å; M286-I288 PolarHBondContact O-N 3.44Å |
| 289 | R | 76.7 | Confident | 86.3 | Confident | 186 Ų | 186 | 38.2 Ų | 38.2 | 70% | 0.702 | 18% | 0.18 | S | C | * | . | I | π-helix | trans | -97.2 | -35.7 | -167.4 | -64.9 | -176.4 | 174 | 178.6 | -2 | 114.4 | N285 | N285-R289 WeakPolarHBondContact O-CA 3.43Å; N285-R289 WeakPolarHBondContact O-CB 3.48Å; N285-R289 PolarHBondContact O-N 2.97Å |
| 290 | T | 78.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -117.1 | -53.2 | -163.1 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | F231 N285 M286 | F231-T290 HydrophobicContact CE2-CG2 3.87Å; N285-T290 PolarHBondContact O-N 2.95Å; N285-T290 PolarHBondContact O-OG1 2.8Å; M286-T290 WeakPolarHBondContact CA-OG1 3.2Å; M286-T290 PolarHBondContact O-OG1 2.95Å |
| 291 | H | 82.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -107.3 | 6.6 | -166.7 | -64.4 | 80.4 | 0 | 0 | 0 | 114.2 | Y218 F220 D235 M286 H293 D294 L295 | Y218-H291 PolarHBondContact OH-CD2 3.37Å; F220-H291 AromaticContact CD1-CD2 3.9Å; F220-H291 AromaticContact CD1-CE1 3.96Å; F220-H291 AromaticContact CD1-NE2 3.61Å; D235-H291 IonicContact OD1-NE2 3.79Å; M286-H291 HydrophobicContact CE-CB 4.05Å; M286-H291 HydrophobicContact CG-CB 4.33Å; M286-H291 WeakPolarHBondContact O-CB 3.43Å; M286-H291 PolarHBondContact O-N 3.48Å; M286-H291 HydrophobicContact SD-CB 4.31Å; H291-H293 VanDerWaalsContact C-N 3.31Å; H291-H293 PolarHBondContact O-N 2.75Å; H291-D294 PolarHBondContact O-N 3.22Å; H291-L295 WeakPolarHBondContact O-CB 3.42Å; H291-L295 WeakPolarHBondContact O-CD1 3.45Å; H291-L295 VanDerWaalsContact O-CG 3.23Å; H291-L295 WeakPolarHBondContact O-CG 3.39Å; H291-L295 PolarHBondContact O-N 3.28Å |
| 292 | M | 85.4 | Confident | 86.6 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | -179.6 | -167.6 | -179.2 | 64.7 | 0 | 0 | 112.2 | F45 L102 L287 K296 | F45-M292 HydrophobicContact CB-CG 4.5Å; F45-M292 HydrophobicContact CB-SD 4.2Å; F45-M292 HydrophobicContact CD2-CG 3.57Å; F45-M292 HydrophobicContact CD2-SD 4.35Å; F45-M292 HydrophobicContact CE2-CG 3.81Å; F45-M292 HydrophobicContact CG-CG 3.96Å; F45-M292 HydrophobicContact CG-SD 4.17Å; F45-M292 HydrophobicContact CZ-CG 4.39Å; L102-M292 HydrophobicContact CD1-CE 4.1Å; L102-M292 HydrophobicContact CD1-SD 3.84Å; L102-M292 HydrophobicContact CD2-SD 4.11Å; L287-M292 WeakPolarHBondContact O-CB 3.35Å; M292-K296 PolarHBondContact O-N 3.39Å |
| 293 | H | 85.8 | Confident | 86.8 | Confident | 120 Ų | 120 | 45.4 Ų | 45.4 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -69.1 | -46.8 | 178.7 | -170.3 | -75.7 | 0 | 0 | 0 | 110.9 | H291 L295 K296 D297 | H291-H293 VanDerWaalsContact C-N 3.31Å; H291-H293 PolarHBondContact O-N 2.75Å; H293-L295 PolarHBondContact O-N 2.85Å; H293-K296 WeakPolarHBondContact O-CA 3.43Å; H293-K296 VanDerWaalsContact O-CB 3.3Å; H293-K296 WeakPolarHBondContact O-CB 3.31Å; H293-K296 PolarHBondContact O-N 2.82Å; H293-D297 IonicContact CE1-OD1 2.89Å; H293-D297 PolarHBondContact CE1-OD1 3.49Å; H293-D297 IonicContact CE1-OD2 3.69Å; H293-D297 PolarHBondContact CE1-OD2 2.73Å; H293-D297 IonicContact ND1-OD1 2.67Å; H293-D297 IonicContact ND1-OD2 2.73Å; H293-D297 PolarHBondContact ND1-OD2 3.26Å; H293-D297 PolarHBondContact O-N 3.23Å |
| 294 | D | 88.8 | Confident | 86.9 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | -179.8 | -176.2 | 78.7 | 0 | 0 | 0 | 112.5 | Y218 P221 H291 K296 D297 V298 | Y218-D294 WeakPolarHBondContact CE2-OD2 3.07Å; Y218-D294 VanDerWaalsContact CZ-OD2 3.29Å; Y218-D294 PolarHBondContact OH-OD2 2.86Å; P221-D294 HydrophobicContact CG-CB 4.32Å; P221-D294 WeakPolarHBondContact CG-OD1 3.42Å; P221-D294 VanDerWaalsContact CG-OD2 3.22Å; P221-D294 WeakPolarHBondContact CG-OD2 3.45Å; H291-D294 PolarHBondContact O-N 3.22Å; D294-K296 PolarHBondContact O-N 3.35Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-D297 PolarHBondContact O-N 2.77Å; D294-V298 WeakPolarHBondContact O-CG2 3.41Å; D294-V298 PolarHBondContact O-N 3.37Å |
| 295 | L | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.8 | -36.2 | 173.1 | -76.1 | 165.2 | 0 | 0 | 0 | 111.7 | F45 C155 N183 Y218 M286 L287 H291 H293 T299 | F45-L295 HydrophobicContact CE2-CB 4.37Å; F45-L295 HydrophobicContact CE2-CD1 4.4Å; F45-L295 HydrophobicContact CZ-CD1 4.21Å; C155-L295 HydrophobicContact CB-CD1 4.12Å; C155-L295 HydrophobicContact CB-CD2 4.24Å; N183-L295 HydrophobicContact CB-CD2 3.81Å; N183-L295 PolarHBondContact ND2-O 3.27Å; Y218-L295 HydrophobicContact CD1-CD2 4.18Å; Y218-L295 HydrophobicContact CD2-CD2 3.54Å; Y218-L295 HydrophobicContact CE1-CD2 4.1Å; Y218-L295 HydrophobicContact CE2-CD2 3.46Å; Y218-L295 VanDerWaalsContact CE2-CD2 3.46Å; Y218-L295 HydrophobicContact CE2-CG 4.08Å; Y218-L295 HydrophobicContact CG-CD2 3.88Å; M286-L295 HydrophobicContact CE-CD1 4.12Å; M286-L295 HydrophobicContact CE-CD2 4.39Å; M286-L295 HydrophobicContact CE-CG 4.48Å; M286-L295 HydrophobicContact SD-CD1 4.38Å; L287-L295 HydrophobicContact CD2-CD1 4.23Å; H291-L295 WeakPolarHBondContact O-CB 3.42Å; H291-L295 WeakPolarHBondContact O-CD1 3.45Å; H291-L295 VanDerWaalsContact O-CG 3.23Å; H291-L295 WeakPolarHBondContact O-CG 3.39Å; H291-L295 PolarHBondContact O-N 3.28Å; H293-L295 PolarHBondContact O-N 2.85Å; L295-T299 WeakPolarHBondContact O-CB 3.49Å; L295-T299 PolarHBondContact O-N 3.36Å; L295-T299 VanDerWaalsContact O-N 3.11Å; L295-T299 PolarHBondContact O-OG1 3.41Å |
| 296 | K | 89.6 | Confident | 87.3 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74 | -40.6 | 177.4 | 179.6 | 165.6 | -167.9 | 153 | 0 | 112.7 | D44 D150 M292 H293 D294 T299 C300 | D44-K296 PolarHBondContact O-NZ 3.46Å; D44-K296 VanDerWaalsContact O-NZ 3.12Å; D150-K296 VanDerWaalsContact OD2-CE 3.26Å; D150-K296 WeakPolarHBondContact OD2-CE 3.36Å; D150-K296 IonicContact OD2-NZ 2.81Å; D150-K296 PolarHBondContact OD2-NZ 3.48Å; M292-K296 PolarHBondContact O-N 3.39Å; H293-K296 WeakPolarHBondContact O-CA 3.43Å; H293-K296 VanDerWaalsContact O-CB 3.3Å; H293-K296 WeakPolarHBondContact O-CB 3.31Å; H293-K296 PolarHBondContact O-N 2.82Å; D294-K296 PolarHBondContact O-N 3.35Å; D294-K296 VanDerWaalsContact O-N 3.11Å; K296-T299 PolarHBondContact O-N 3.36Å; K296-C300 PolarHBondContact O-N 3.5Å; K296-C300 PolarHBondContact O-SG 3.03Å |
| 297 | D | 90.1 | Very high | 87.5 | Confident | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 176.7 | -66.6 | -19.6 | 0 | 0 | 0 | 110.6 | H293 D294 T299 C300 D301 | H293-D297 IonicContact CE1-OD1 2.89Å; H293-D297 PolarHBondContact CE1-OD1 3.49Å; H293-D297 IonicContact CE1-OD2 3.69Å; H293-D297 PolarHBondContact CE1-OD2 2.73Å; H293-D297 IonicContact ND1-OD1 2.67Å; H293-D297 IonicContact ND1-OD2 2.73Å; H293-D297 PolarHBondContact ND1-OD2 3.26Å; H293-D297 PolarHBondContact O-N 3.23Å; D294-D297 PolarHBondContact O-N 2.77Å; D297-T299 VanDerWaalsContact C-N 3.27Å; D297-T299 PolarHBondContact O-N 3.14Å; D297-C300 CarbonylContact O-C 3.49Å; D297-C300 WeakPolarHBondContact O-CA 3.41Å; D297-C300 WeakPolarHBondContact O-CB 3.38Å; D297-C300 PolarHBondContact O-N 2.82Å; D297-D301 WeakPolarHBondContact O-CB 3.11Å; D297-D301 PolarHBondContact O-N 2.8Å |
| 298 | V | 90.4 | Very high | 87.8 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | N183 Y218 D294 C300 V302 H303 | N183-V298 WeakPolarHBondContact OD1-CG1 3.46Å; Y218-V298 HydrophobicContact CE2-CG2 4.32Å; D294-V298 WeakPolarHBondContact O-CG2 3.41Å; D294-V298 PolarHBondContact O-N 3.37Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.99Å; V298-V302 HydrophobicContact CG1-CB 4.28Å; V298-V302 HydrophobicContact CG1-CG2 4.12Å; V298-V302 VanDerWaalsContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CB 3.05Å; V298-V302 PolarHBondContact O-N 2.78Å; V298-H303 PolarHBondContact O-N 2.89Å |
| 299 | T | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -63.1 | -39.4 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | F133 H154 N183 L295 K296 D297 Y304 | F133-T299 HydrophobicContact CE1-CG2 4.39Å; H154-T299 WeakPolarHBondContact CA-OG1 2.9Å; H154-T299 PolarHBondContact O-OG1 2.9Å; N183-T299 PolarHBondContact ND2-OG1 3.43Å; L295-T299 WeakPolarHBondContact O-CB 3.49Å; L295-T299 PolarHBondContact O-N 3.36Å; L295-T299 VanDerWaalsContact O-N 3.11Å; L295-T299 PolarHBondContact O-OG1 3.41Å; K296-T299 PolarHBondContact O-N 3.36Å; D297-T299 VanDerWaalsContact C-N 3.27Å; D297-T299 PolarHBondContact O-N 3.14Å; T299-Y304 VanDerWaalsContact O-CB 3.26Å; T299-Y304 WeakPolarHBondContact O-CB 3.22Å; T299-Y304 PolarHBondContact O-N 2.98Å |
| 300 | C | 90 | Very high | 88.9 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -70.7 | -56.5 | 177.3 | -64.9 | 0 | 0 | 0 | 0 | 111.7 | R152 K296 D297 V298 Y304 E305 | R152-C300 PolarHBondContact NH2-SG 3.33Å; K296-C300 PolarHBondContact O-N 3.5Å; K296-C300 PolarHBondContact O-SG 3.03Å; D297-C300 CarbonylContact O-C 3.49Å; D297-C300 WeakPolarHBondContact O-CA 3.41Å; D297-C300 WeakPolarHBondContact O-CB 3.38Å; D297-C300 PolarHBondContact O-N 2.82Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.99Å; C300-Y304 WeakPolarHBondContact O-CB 3.39Å; C300-E305 WeakPolarHBondContact O-CG 3.34Å; C300-E305 PolarHBondContact O-N 3.04Å |
| 301 | D | 90.3 | Very high | 89.3 | Confident | 117 Ų | 117 | 50.4 Ų | 50.4 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | I | π-helix | trans | -81.5 | -27.6 | -164.7 | -67 | -12.5 | 0 | 0 | 0 | 112.9 | D297 E305 | D297-D301 WeakPolarHBondContact O-CB 3.11Å; D297-D301 PolarHBondContact O-N 2.8Å; D301-E305 WeakPolarHBondContact O-CB 3.26Å |
| 302 | V | 90.7 | Very high | 89.6 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -103.9 | -68.2 | -179.7 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | V298 N306 | V298-V302 HydrophobicContact CG1-CB 4.28Å; V298-V302 HydrophobicContact CG1-CG2 4.12Å; V298-V302 VanDerWaalsContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CB 3.05Å; V298-V302 PolarHBondContact O-N 2.78Å; V302-N306 WeakPolarHBondContact O-CB 3.46Å; V302-N306 PolarHBondContact O-N 2.73Å; V302-N306 PolarHBondContact O-ND2 2.96Å |
| 303 | H | 91.1 | Very high | 89.7 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -68.1 | -48.6 | -169.2 | -63 | -55.6 | 0 | 0 | 0 | 112.9 | F133 H179 E180 K181 N183 V298 Y307 | F133-H303 HydrophobicContact CZ-CB 4.15Å; H179-H303 PolarHBondContact O-CE1 3.31Å; E180-H303 PolarHBondContact O-ND1 2.94Å; K181-H303 WeakPolarHBondContact O-CB 3.11Å; N183-H303 PolarHBondContact N-NE2 3.47Å; N183-H303 PolarHBondContact OD1-NE2 2.91Å; N183-H303 VanDerWaalsContact OD1-NE2 3.1Å; V298-H303 PolarHBondContact O-N 2.89Å; H303-Y307 PolarHBondContact O-N 3.31Å; H303-Y307 VanDerWaalsContact O-N 3.07Å |
| 304 | Y | 91.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -70.8 | -43.2 | -179 | 175.6 | -106.1 | 0 | 0 | 0 | 112.1 | F133 Y136 F137 E140 T299 C300 N306 Y307 R308 | F133-Y304 AromaticContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CG-CD2 4.49Å; Y136-Y304 HydrophobicContact CD1-CD2 4.21Å; Y136-Y304 AromaticContact CD1-CE1 3.98Å; Y136-Y304 HydrophobicContact CD1-CE1 3.98Å; Y136-Y304 AromaticContact CD1-CE2 3.53Å; Y136-Y304 HydrophobicContact CD1-CE2 3.53Å; Y136-Y304 AromaticContact CD1-CZ 3.41Å; Y136-Y304 VanDerWaalsContact CD1-CZ 3.41Å; Y136-Y304 WeakPolarHBondContact CD1-OH 3.33Å; Y136-Y304 HydrophobicContact CE1-CD1 4.46Å; Y136-Y304 AromaticContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE2 4.25Å; Y136-Y304 AromaticContact CE1-CZ 3.78Å; Y136-Y304 HydrophobicContact CG-CE2 4.37Å; F137-Y304 WeakPolarHBondContact CA-OH 3.31Å; F137-Y304 HydrophobicContact CB-CE2 4.36Å; E140-Y304 PolarHBondContact OE2-OH 2.89Å; T299-Y304 VanDerWaalsContact O-CB 3.26Å; T299-Y304 WeakPolarHBondContact O-CB 3.22Å; T299-Y304 PolarHBondContact O-N 2.98Å; C300-Y304 WeakPolarHBondContact O-CB 3.39Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.77Å; Y304-Y307 PolarHBondContact O-N 3.38Å; Y304-R308 VanDerWaalsContact O-CB 3.23Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 3.18Å |
| 305 | E | 90 | Very high | 89.5 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 175.9 | -75.1 | -60.5 | 145.4 | 0 | 0 | 112.5 | C300 D301 R308 A309 | C300-E305 WeakPolarHBondContact O-CG 3.34Å; C300-E305 PolarHBondContact O-N 3.04Å; D301-E305 WeakPolarHBondContact O-CB 3.26Å; E305-R308 PolarHBondContact O-N 3.33Å; E305-R308 IonicContact OE1-CZ 3.67Å; E305-R308 IonicContact OE1-NH1 2.87Å; E305-R308 PolarHBondContact OE1-NH1 2.83Å; E305-R308 IonicContact OE2-CZ 3.08Å; E305-R308 IonicContact OE2-NH1 2.89Å; E305-R308 PolarHBondContact OE2-NH1 2.67Å; E305-A309 VanDerWaalsContact O-CB 3.3Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.45Å |
| 306 | N | 91.1 | Very high | 89.1 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 172.5 | -73.9 | -22.3 | 0 | 0 | 0 | 111.6 | V302 Y304 A309 H310 | V302-N306 WeakPolarHBondContact O-CB 3.46Å; V302-N306 PolarHBondContact O-N 2.73Å; V302-N306 PolarHBondContact O-ND2 2.96Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.77Å; N306-A309 PolarHBondContact O-N 3.5Å; N306-H310 PolarHBondContact O-N 3.33Å |
| 307 | Y | 90.1 | Very high | 88.6 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 175.3 | 179 | -94.7 | 0 | 0 | 0 | 111.7 | F133 H303 Y304 H310 C311 | F133-Y307 HydrophobicContact CB-CD1 3.58Å; F133-Y307 HydrophobicContact CB-CD2 4.31Å; F133-Y307 HydrophobicContact CB-CE1 3.64Å; F133-Y307 HydrophobicContact CB-CE2 4.37Å; F133-Y307 HydrophobicContact CB-CG 3.92Å; F133-Y307 HydrophobicContact CD2-CD2 4.22Å; F133-Y307 HydrophobicContact CD2-CG 4.12Å; F133-Y307 HydrophobicContact CG-CD1 4.36Å; F133-Y307 HydrophobicContact CG-CG 4.3Å; H303-Y307 PolarHBondContact O-N 3.31Å; H303-Y307 VanDerWaalsContact O-N 3.07Å; Y304-Y307 PolarHBondContact O-N 3.38Å; Y307-H310 PolarHBondContact O-N 2.84Å; Y307-C311 WeakPolarHBondContact O-CB 3.39Å; Y307-C311 PolarHBondContact O-N 2.86Å |
| 308 | R | 90.3 | Very high | 87.9 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 178.9 | -179 | 177.6 | 171.1 | -138.4 | 1.9 | 111.5 | F137 Y304 E305 H310 C311 I312 | F137-R308 HydrophobicContact CD2-CG 4.07Å; F137-R308 HydrophobicContact CE2-CG 3.92Å; Y304-R308 VanDerWaalsContact O-CB 3.23Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 3.18Å; E305-R308 PolarHBondContact O-N 3.33Å; E305-R308 IonicContact OE1-CZ 3.67Å; E305-R308 IonicContact OE1-NH1 2.87Å; E305-R308 PolarHBondContact OE1-NH1 2.83Å; E305-R308 IonicContact OE2-CZ 3.08Å; E305-R308 IonicContact OE2-NH1 2.89Å; E305-R308 PolarHBondContact OE2-NH1 2.67Å; R308-H310 VanDerWaalsContact C-N 3.35Å; R308-H310 PolarHBondContact O-N 2.81Å; R308-C311 PolarHBondContact O-N 2.95Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.35Å; R308-I312 PolarHBondContact O-N 3.31Å |
| 309 | A | 90.4 | Very high | 86.9 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E305 N306 I312 Q313 | E305-A309 VanDerWaalsContact O-CB 3.3Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.45Å; N306-A309 PolarHBondContact O-N 3.5Å; A309-I312 PolarHBondContact O-N 3.29Å; A309-Q313 WeakPolarHBondContact O-CB 3.43Å; A309-Q313 WeakPolarHBondContact O-CG 3.36Å; A309-Q313 PolarHBondContact O-N 3.34Å |
| 310 | H | 89.8 | Confident | 85.7 | Confident | 115 Ų | 115 | 74 Ų | 74 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.2 | -89.2 | -47.3 | 0 | 0 | 0 | 113 | N306 Y307 R308 Q313 Q314 | N306-H310 PolarHBondContact O-N 3.33Å; Y307-H310 PolarHBondContact O-N 2.84Å; R308-H310 VanDerWaalsContact C-N 3.35Å; R308-H310 PolarHBondContact O-N 2.81Å; H310-Q313 PolarHBondContact O-N 3.15Å; H310-Q314 WeakPolarHBondContact O-CG 3.48Å; H310-Q314 PolarHBondContact O-N 2.84Å |
| 311 | C | 87.2 | Confident | 84.3 | Confident | 20 Ų | 20 | 79.1 Ų | 79.1 | 14% | 0.135 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 111.5 | Y307 R308 Q313 Q314 M315 | Y307-C311 WeakPolarHBondContact O-CB 3.39Å; Y307-C311 PolarHBondContact O-N 2.86Å; R308-C311 PolarHBondContact O-N 2.95Å; C311-Q313 PolarHBondContact O-N 3.11Å; C311-Q314 PolarHBondContact O-N 2.85Å; C311-M315 WeakPolarHBondContact O-CG 3.45Å; C311-M315 PolarHBondContact O-N 3.18Å |
| 312 | I | 87.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177 | -67.4 | 167.6 | 0 | 0 | 0 | 111.2 | F137 R308 A309 Q314 M315 T316 | F137-I312 HydrophobicContact CE2-CG1 4.47Å; F137-I312 HydrophobicContact CZ-CG1 4.49Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.35Å; R308-I312 PolarHBondContact O-N 3.31Å; A309-I312 PolarHBondContact O-N 3.29Å; I312-Q314 VanDerWaalsContact C-N 3.35Å; I312-Q314 PolarHBondContact O-N 3Å; I312-M315 PolarHBondContact O-N 2.99Å; I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.09Å; I312-T316 PolarHBondContact O-OG1 2.86Å |
| 313 | Q | 89 | Confident | 80.6 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 175.4 | -76 | 171.6 | 6.3 | 0 | 0 | 111.7 | A309 H310 C311 T316 S317 | A309-Q313 WeakPolarHBondContact O-CB 3.43Å; A309-Q313 WeakPolarHBondContact O-CG 3.36Å; A309-Q313 PolarHBondContact O-N 3.34Å; H310-Q313 PolarHBondContact O-N 3.15Å; C311-Q313 PolarHBondContact O-N 3.11Å; Q313-T316 PolarHBondContact O-N 3.01Å; Q313-S317 VanDerWaalsContact O-CB 3.29Å; Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 3.41Å; Q313-S317 PolarHBondContact O-OG 2.92Å |
| 314 | Q | 86.6 | Confident | 78.8 | Confident | 118 Ų | 118 | 90.6 Ų | 90.6 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 176.8 | -72.5 | -177 | 27.6 | 0 | 0 | 112 | H310 C311 I312 S317 K318 | H310-Q314 WeakPolarHBondContact O-CG 3.48Å; H310-Q314 PolarHBondContact O-N 2.84Å; C311-Q314 PolarHBondContact O-N 2.85Å; I312-Q314 VanDerWaalsContact C-N 3.35Å; I312-Q314 PolarHBondContact O-N 3Å; Q314-S317 PolarHBondContact O-N 3.32Å; Q314-K318 WeakPolarHBondContact O-CG 3.3Å; Q314-K318 PolarHBondContact O-N 3.08Å |
| 315 | M | 82.9 | Confident | 76.5 | Confident | 95 Ų | 95 | 98 Ų | 98 | 47% | 0.468 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.6 | -70.5 | -178.3 | 175.5 | 0 | 0 | 111.7 | F137 C311 I312 S317 K318 L319 | F137-M315 HydrophobicContact CE1-CE 3.83Å; F137-M315 HydrophobicContact CE1-SD 4.37Å; F137-M315 HydrophobicContact CZ-CE 4.49Å; F137-M315 HydrophobicContact CZ-SD 4.48Å; C311-M315 WeakPolarHBondContact O-CG 3.45Å; C311-M315 PolarHBondContact O-N 3.18Å; I312-M315 PolarHBondContact O-N 2.99Å; M315-S317 VanDerWaalsContact C-N 3.35Å; M315-S317 PolarHBondContact O-N 3.41Å; M315-K318 PolarHBondContact O-N 3.45Å; M315-L319 WeakPolarHBondContact O-CG 3.14Å; M315-L319 PolarHBondContact O-N 3.04Å; M315-L319 VanDerWaalsContact O-N 3.09Å |
| 316 | T | 82.7 | Confident | 73.9 | Confident | 74 Ų | 74 | 103.8 Ų | 103.8 | 45% | 0.454 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | I312 Q313 K318 L319 T320 | I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.09Å; I312-T316 PolarHBondContact O-OG1 2.86Å; Q313-T316 PolarHBondContact O-N 3.01Å; T316-K318 PolarHBondContact O-N 3.23Å; T316-L319 PolarHBondContact O-N 2.77Å; T316-T320 WeakPolarHBondContact O-CG2 3.45Å; T316-T320 PolarHBondContact O-N 2.8Å; T316-T320 PolarHBondContact O-OG1 3.44Å |
| 317 | S | 78.5 | Confident | 71.3 | Confident | 60 Ų | 60 | 104.1 Ų | 104.1 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | Q313 Q314 M315 T320 Q321 | Q313-S317 VanDerWaalsContact O-CB 3.29Å; Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 3.41Å; Q313-S317 PolarHBondContact O-OG 2.92Å; Q314-S317 PolarHBondContact O-N 3.32Å; M315-S317 VanDerWaalsContact C-N 3.35Å; M315-S317 PolarHBondContact O-N 3.41Å; S317-T320 WeakPolarHBondContact CA-OG1 3.43Å; S317-T320 PolarHBondContact O-N 3.34Å; S317-T320 PolarHBondContact O-OG1 2.8Å; S317-Q321 PolarHBondContact O-N 2.97Å |
| 318 | K | 74.9 | Confident | 68.9 | Low | 131 Ų | 131 | 107.3 Ų | 107.3 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -44.2 | 174.9 | -72 | 176 | -177.9 | 179.6 | 0 | 111.6 | Q314 M315 T316 T320 Q321 D322 | Q314-K318 WeakPolarHBondContact O-CG 3.3Å; Q314-K318 PolarHBondContact O-N 3.08Å; M315-K318 PolarHBondContact O-N 3.45Å; T316-K318 PolarHBondContact O-N 3.23Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.2Å; K318-Q321 PolarHBondContact O-N 2.9Å; K318-D322 PolarHBondContact O-N 2.74Å |
| 319 | L | 70.6 | Confident | 66.6 | Low | 121 Ų | 121 | 110.2 Ų | 110.2 | 63% | 0.634 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.6 | -37.1 | 174.8 | -72.4 | 160.2 | 0 | 0 | 0 | 112.8 | M315 T316 S323 | M315-L319 WeakPolarHBondContact O-CG 3.14Å; M315-L319 PolarHBondContact O-N 3.04Å; M315-L319 VanDerWaalsContact O-N 3.09Å; T316-L319 PolarHBondContact O-N 2.77Å; L319-S323 PolarHBondContact O-N 3.15Å; L319-S323 PolarHBondContact O-OG 3.43Å |
| 320 | T | 64.6 | Low | 64.1 | Low | 71 Ų | 71 | 113.9 Ų | 113.9 | 44% | 0.436 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.6 | -25.8 | 176.8 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | T316 S317 K318 S323 R324 | T316-T320 WeakPolarHBondContact O-CG2 3.45Å; T316-T320 PolarHBondContact O-N 2.8Å; T316-T320 PolarHBondContact O-OG1 3.44Å; S317-T320 WeakPolarHBondContact CA-OG1 3.43Å; S317-T320 PolarHBondContact O-N 3.34Å; S317-T320 PolarHBondContact O-OG1 2.8Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.2Å; T320-S323 VanDerWaalsContact CA-OG 3.27Å; T320-S323 WeakPolarHBondContact CA-OG 3.05Å; T320-S323 PolarHBondContact O-OG 2.86Å; T320-R324 PolarHBondContact O-N 3.24Å |
| 321 | Q | 59.7 | Low | 61.5 | Low | 136 Ų | 136 | 115.7 Ų | 115.7 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.7 | -40.6 | 173.3 | -77.1 | -179.3 | -8.7 | 0 | 0 | 110.9 | S317 K318 S323 R324 | S317-Q321 PolarHBondContact O-N 2.97Å; K318-Q321 PolarHBondContact O-N 2.9Å; Q321-S323 PolarHBondContact O-N 3.32Å; Q321-R324 PolarHBondContact O-N 3.44Å; Q321-R324 VanDerWaalsContact O-N 3.13Å |
| 322 | D | 55 | Low | 59.4 | Low | 130 Ų | 130 | 122.3 Ų | 122.3 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.1 | -25.8 | 175.1 | -74.5 | -22.1 | 0 | 0 | 0 | 112.7 | K318 | K318-D322 PolarHBondContact O-N 2.74Å |
| 323 | S | 49.9 | Very low | 57.2 | Low | 79 Ų | 79 | 123.8 Ų | 123.8 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.1 | 175.1 | 40.9 | 0 | 0 | 0 | 0 | 114.8 | L319 T320 Q321 | L319-S323 PolarHBondContact O-N 3.15Å; L319-S323 PolarHBondContact O-OG 3.43Å; T320-S323 VanDerWaalsContact CA-OG 3.27Å; T320-S323 WeakPolarHBondContact CA-OG 3.05Å; T320-S323 PolarHBondContact O-OG 2.86Å; Q321-S323 PolarHBondContact O-N 3.32Å |
| 324 | R | 52 | Low | 55.1 | Low | 229 Ų | 229 | 125.8 Ų | 125.8 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -98.6 | -1.4 | 173.7 | -77.8 | -176.1 | 176.7 | 172.5 | 1.4 | 114.2 | T320 Q321 | T320-R324 PolarHBondContact O-N 3.24Å; Q321-R324 PolarHBondContact O-N 3.44Å; Q321-R324 VanDerWaalsContact O-N 3.13Å |
| 325 | M | 43.3 | Very low | 53.3 | Low | 160 Ų | 160 | 126 Ų | 126 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | trans | -106.5 | 62.1 | 165.7 | -82.4 | -166.4 | 168.8 | 0 | 0 | 110.7 | S327 | M325-S327 PolarHBondContact O-N 3.27Š| ||
| 326 | E | 36.1 | Very low | 51.6 | Low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 69% | 0.69 | S | S | * | * | trans | -74.2 | 83.6 | 160.4 | -85.9 | -172.2 | 158.7 | 0 | 0 | 109.4 | ||||
| 327 | S | 36.4 | Very low | 50 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -138.1 | 140.8 | 149.7 | 51.6 | 0 | 0 | 0 | 0 | 108.2 | M325 I329 | M325-S327 PolarHBondContact O-N 3.27Å; S327-I329 PolarHBondContact O-N 3.08Å |
| 328 | P | 39.1 | Very low | 49.1 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -78.5 | 118.1 | -150.3 | -12.2 | 28.4 | 0 | 0 | 0 | 113.6 | ||||
| 329 | I | 42.1 | Very low | 48.6 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | trans | 61.3 | 121.9 | 140.9 | -52.8 | 170.8 | 0 | 0 | 0 | 116 | S327 | S327-I329 PolarHBondContact O-N 3.08Š| ||
| 330 | P | 37.7 | Very low | 48.5 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | -130.4 | 132.2 | 73.8 | 11 | 13.1 | 0 | 0 | 0 | 116.3 | L332 | P330-L332 PolarHBondContact O-N 3.21Š| |||
| 331 | I | 36.4 | Very low | 48.6 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -51.6 | 121.3 | 170 | -62.2 | 155.5 | 0 | 0 | 0 | 110.5 | ||||
| 332 | L | 42 | Very low | 49.2 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | -114.3 | 142.3 | 161.1 | -93.4 | 148.3 | 0 | 0 | 0 | 108.5 | P330 | P330-L332 PolarHBondContact O-N 3.21Š| ||
| 333 | P | 42.4 | Very low | 50.2 | Low | 105 Ų | 105 | 127.4 Ų | 127.4 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | trans | -83.2 | 133.2 | -147.9 | -6.3 | 24.4 | 0 | 0 | 0 | 112.4 | ||||
| 334 | L | 44 | Very low | 51.6 | Low | 153 Ų | 153 | 129.6 Ų | 129.6 | 80% | 0.801 | 70% | 0.7 | S | S | * | * | trans | -58.6 | 149.1 | 155.2 | -84.4 | 98.6 | 0 | 0 | 0 | 109 | T336 | L334-T336 PolarHBondContact O-N 2.87Š| ||
| 335 | P | 48.9 | Very low | 52.8 | Low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | trans | -54.7 | 112.9 | 170.8 | -14.8 | 27.7 | 0 | 0 | 0 | 107.3 | ||||
| 336 | T | 46.6 | Very low | 54.6 | Low | 114 Ų | 114 | 123 Ų | 123 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | -51.8 | 128.9 | -178 | 44.3 | 0 | 0 | 0 | 0 | 109 | L334 D338 | L334-T336 PolarHBondContact O-N 2.87Å; T336-D338 PolarHBondContact O-N 3.26Å | ||
| 337 | P | 50 | Low | 56.8 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 53% | 0.532 | 66% | 0.661 | S | S | . | * | trans | -56.1 | 131.5 | 161 | 26.3 | -30.1 | 0 | 0 | 0 | 106.1 | A339 | P337-A339 PolarHBondContact O-N 3.25Š| ||
| 338 | D | 59.2 | Low | 58.9 | Low | 116 Ų | 116 | 122.3 Ų | 122.3 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | trans | -41.9 | 136.2 | -178.3 | -72.4 | -46.8 | 0 | 0 | 0 | 110.3 | T336 E340 T341 E342 | T336-D338 PolarHBondContact O-N 3.26Å; D338-E340 CarbonylContact O-C 3.56Å; D338-E340 PolarHBondContact O-N 3.01Å; D338-T341 WeakPolarHBondContact O-CA 3.41Å; D338-T341 WeakPolarHBondContact O-CB 3.37Å; D338-T341 PolarHBondContact O-N 3.05Å; D338-E342 PolarHBondContact O-N 2.82Å | ||
| 339 | A | 65.4 | Low | 61 | Low | 73 Ų | 73 | 121.1 Ų | 121.1 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -54.1 | -20.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P337 K343 | P337-A339 PolarHBondContact O-N 3.25Å; A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.29Å; A339-K343 WeakPolarHBondContact O-CG 2.77Å; A339-K343 PolarHBondContact O-N 3.34Å; A339-K343 VanDerWaalsContact O-N 3.17Å |
| 340 | E | 68.2 | Low | 63.1 | Low | 163 Ų | 163 | 120.3 Ų | 120.3 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.8 | -41.9 | 170.1 | -63.3 | -165.7 | 149.3 | 0 | 0 | 113.1 | D338 K343 L344 | D338-E340 CarbonylContact O-C 3.56Å; D338-E340 PolarHBondContact O-N 3.01Å; E340-K343 PolarHBondContact O-N 3.42Å; E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.03Å |
| 341 | T | 67.1 | Low | 65.3 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 35% | 0.35 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | 178.4 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | D338 L344 I345 | D338-T341 WeakPolarHBondContact O-CA 3.41Å; D338-T341 WeakPolarHBondContact O-CB 3.37Å; D338-T341 PolarHBondContact O-N 3.05Å; T341-L344 PolarHBondContact O-N 3.4Å; T341-I345 HydrophobicContact CG2-CD1 4.13Å; T341-I345 VanDerWaalsContact O-CG1 3.25Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.81Å |
| 342 | E | 70.5 | Confident | 67.4 | Low | 91 Ų | 91 | 117.5 Ų | 117.5 | 43% | 0.425 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -38.8 | 177.9 | -152.8 | -168.3 | 151.7 | 0 | 0 | 111.8 | D338 L344 I345 R346 | D338-E342 PolarHBondContact O-N 2.82Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-I345 PolarHBondContact O-N 3.31Å; E342-R346 WeakPolarHBondContact O-CG 3.41Å; E342-R346 PolarHBondContact O-N 3.05Å; E342-R346 IonicContact OE1-CZ 3.8Å; E342-R346 IonicContact OE1-NE 2.94Å; E342-R346 IonicContact OE1-NH2 3.77Å; E342-R346 PolarHBondContact OE1-NH2 2.91Å |
| 343 | K | 76.9 | Confident | 69.5 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 65% | 0.652 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61 | -43.2 | 170.9 | -83.9 | 179.4 | 178.3 | 179.2 | 0 | 111.9 | A339 E340 R346 M347 | A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.29Å; A339-K343 WeakPolarHBondContact O-CG 2.77Å; A339-K343 PolarHBondContact O-N 3.34Å; A339-K343 VanDerWaalsContact O-N 3.17Å; E340-K343 PolarHBondContact O-N 3.42Å; K343-R346 PolarHBondContact O-N 3.49Å; K343-M347 WeakPolarHBondContact O-CG 2.76Å; K343-M347 PolarHBondContact O-N 3.43Å |
| 344 | L | 78.4 | Confident | 71.5 | Confident | 125 Ų | 125 | 122.2 Ų | 122.2 | 65% | 0.654 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | -179 | -159.9 | 72.6 | 0 | 0 | 0 | 111.5 | E340 T341 E342 M347 K348 | E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.03Å; T341-L344 PolarHBondContact O-N 3.4Å; E342-L344 VanDerWaalsContact C-N 3.35Å; L344-M347 PolarHBondContact O-N 3.17Å; L344-K348 WeakPolarHBondContact O-CB 3.16Å; L344-K348 PolarHBondContact O-N 2.74Å |
| 345 | I | 78.5 | Confident | 73.2 | Confident | 90 Ų | 90 | 120.1 Ų | 120.1 | 46% | 0.462 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.2 | -48 | 174 | -67.8 | 164.3 | 0 | 0 | 0 | 110.1 | T341 E342 M347 K348 D349 | T341-I345 HydrophobicContact CG2-CD1 4.13Å; T341-I345 VanDerWaalsContact O-CG1 3.25Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.81Å; E342-I345 PolarHBondContact O-N 3.31Å; I345-M347 PolarHBondContact O-N 2.95Å; I345-K348 PolarHBondContact O-N 3Å; I345-D349 WeakPolarHBondContact O-CB 3.46Å; I345-D349 PolarHBondContact O-N 3.3Å |
| 346 | R | 80.7 | Confident | 74.7 | Confident | 161 Ų | 161 | 120 Ų | 120 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.8 | -42.7 | 178.2 | -73.5 | -172.7 | -168.1 | -170.3 | 7.4 | 113 | E342 K343 K348 D349 E350 | E342-R346 WeakPolarHBondContact O-CG 3.41Å; E342-R346 PolarHBondContact O-N 3.05Å; E342-R346 IonicContact OE1-CZ 3.8Å; E342-R346 IonicContact OE1-NE 2.94Å; E342-R346 IonicContact OE1-NH2 3.77Å; E342-R346 PolarHBondContact OE1-NH2 2.91Å; K343-R346 PolarHBondContact O-N 3.49Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.17Å; R346-D349 PolarHBondContact O-N 3.26Å; R346-E350 WeakPolarHBondContact O-CG 3.35Å; R346-E350 PolarHBondContact O-N 2.59Å |
| 347 | M | 81.9 | Confident | 76.6 | Confident | 134 Ų | 134 | 119.4 Ų | 119.4 | 66% | 0.66 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63 | -41.3 | 176.9 | -73.6 | -173 | 81 | 0 | 0 | 111.7 | K343 L344 I345 E350 E351 | K343-M347 WeakPolarHBondContact O-CG 2.76Å; K343-M347 PolarHBondContact O-N 3.43Å; L344-M347 PolarHBondContact O-N 3.17Å; I345-M347 PolarHBondContact O-N 2.95Å; M347-E350 PolarHBondContact O-N 2.97Å; M347-E351 WeakPolarHBondContact O-CB 3.13Å; M347-E351 PolarHBondContact O-N 3.09Å |
| 348 | K | 80.7 | Confident | 78.2 | Confident | 139 Ų | 139 | 121.4 Ų | 121.4 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.1 | -37.4 | -179.7 | -144.8 | -177.4 | -173.5 | -177.6 | 0 | 112.3 | L344 I345 R346 E351 L352 | L344-K348 WeakPolarHBondContact O-CB 3.16Å; L344-K348 PolarHBondContact O-N 2.74Å; I345-K348 PolarHBondContact O-N 3Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.17Å; K348-E351 PolarHBondContact O-N 2.92Å; K348-L352 WeakPolarHBondContact O-CB 3.01Å; K348-L352 WeakPolarHBondContact O-CG 3.39Å; K348-L352 PolarHBondContact O-N 3.2Å |
| 349 | D | 83.7 | Confident | 79.3 | Confident | 98 Ų | 98 | 120.9 Ų | 120.9 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.4 | -39.6 | 175 | -81.1 | -9.8 | 0 | 0 | 0 | 112 | I345 R346 R353 | I345-D349 WeakPolarHBondContact O-CB 3.46Å; I345-D349 PolarHBondContact O-N 3.3Å; R346-D349 PolarHBondContact O-N 3.26Å; D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.34Å |
| 350 | E | 86.1 | Confident | 80.2 | Confident | 120 Ų | 120 | 123.6 Ų | 123.6 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -39.7 | 172.9 | -78.4 | -176.7 | 178.3 | 0 | 0 | 112.3 | R346 M347 R353 R354 | R346-E350 WeakPolarHBondContact O-CG 3.35Å; R346-E350 PolarHBondContact O-N 2.59Å; M347-E350 PolarHBondContact O-N 2.97Å; E350-R353 PolarHBondContact O-N 2.99Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3Å |
| 351 | E | 83.1 | Confident | 81 | Confident | 125 Ų | 125 | 123.7 Ų | 123.7 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -42.7 | 177.5 | -166.4 | 174.8 | -167.4 | 0 | 0 | 112 | M347 K348 R353 R354 M355 | M347-E351 WeakPolarHBondContact O-CB 3.13Å; M347-E351 PolarHBondContact O-N 3.09Å; K348-E351 PolarHBondContact O-N 2.92Å; E351-R353 VanDerWaalsContact C-N 3.32Å; E351-R353 PolarHBondContact O-N 3.34Å; E351-R354 PolarHBondContact O-N 2.77Å; E351-M355 WeakPolarHBondContact O-CB 3.49Å; E351-M355 PolarHBondContact O-N 3.48Å |
| 352 | L | 80.5 | Confident | 81.6 | Confident | 91 Ų | 91 | 126.6 Ų | 126.6 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.1 | -42.1 | 173.2 | -86 | 157.7 | 0 | 0 | 0 | 111.8 | K348 M355 Q356 | K348-L352 WeakPolarHBondContact O-CB 3.01Å; K348-L352 WeakPolarHBondContact O-CG 3.39Å; K348-L352 PolarHBondContact O-N 3.2Å; L352-M355 PolarHBondContact O-N 3.19Å; L352-Q356 WeakPolarHBondContact O-CB 3.2Å; L352-Q356 WeakPolarHBondContact O-CG 3.26Å; L352-Q356 PolarHBondContact O-N 3.46Å |
| 353 | R | 85.6 | Confident | 81.9 | Confident | 181 Ų | 181 | 129.4 Ų | 129.4 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.7 | -45.3 | 177.4 | -128.5 | 176.4 | -176 | -178.1 | 1 | 111.9 | D349 E350 E351 M355 Q356 E357 | D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.34Å; E350-R353 PolarHBondContact O-N 2.99Å; E351-R353 VanDerWaalsContact C-N 3.32Å; E351-R353 PolarHBondContact O-N 3.34Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.38Å; R353-Q356 PolarHBondContact O-N 2.51Å; R353-E357 PolarHBondContact O-N 2.72Å |
| 354 | R | 85.4 | Confident | 82.2 | Confident | 181 Ų | 181 | 127.8 Ų | 127.8 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -40.1 | 176.1 | -72.5 | -178.3 | -173.4 | -177.8 | 5.9 | 112.2 | E350 E351 E357 M358 | E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3Å; E351-R354 PolarHBondContact O-N 2.77Å; R354-E357 PolarHBondContact O-N 2.9Å; R354-M358 WeakPolarHBondContact O-CB 3.3Å; R354-M358 PolarHBondContact O-N 3.01Å |
| 355 | M | 79.9 | Confident | 82.2 | Confident | 109 Ų | 109 | 128.3 Ų | 128.3 | 54% | 0.537 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -40.2 | 178 | -168.1 | 178.2 | -67.1 | 0 | 0 | 111.6 | E351 L352 R353 M358 L359 | E351-M355 WeakPolarHBondContact O-CB 3.49Å; E351-M355 PolarHBondContact O-N 3.48Å; L352-M355 PolarHBondContact O-N 3.19Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.38Å; M355-M358 PolarHBondContact O-N 2.89Å; M355-L359 HydrophobicContact CG-CD1 4.17Å; M355-L359 WeakPolarHBondContact O-CB 3.41Å; M355-L359 PolarHBondContact O-N 2.9Å |
| 356 | Q | 80 | Confident | 81.9 | Confident | 121 Ų | 121 | 131.2 Ų | 131.2 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -42.9 | 174.7 | -79.1 | -177.6 | -17.1 | 0 | 0 | 112.5 | L352 R353 L359 Q360 | L352-Q356 WeakPolarHBondContact O-CB 3.2Å; L352-Q356 WeakPolarHBondContact O-CG 3.26Å; L352-Q356 PolarHBondContact O-N 3.46Å; R353-Q356 PolarHBondContact O-N 2.51Å; Q356-L359 PolarHBondContact O-N 3.1Å; Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 2.88Å |
| 357 | E | 87.8 | Confident | 81.4 | Confident | 101 Ų | 101 | 131.1 Ų | 131.1 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -40.3 | 175.4 | -74.7 | -178.7 | -178.3 | 0 | 0 | 112.1 | R353 R354 Q360 R361 | R353-E357 PolarHBondContact O-N 2.72Å; R354-E357 PolarHBondContact O-N 2.9Å; E357-Q360 PolarHBondContact O-N 3.2Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.35Å |
| 358 | M | 82.6 | Confident | 80.8 | Confident | 123 Ų | 123 | 131.7 Ų | 131.7 | 61% | 0.606 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -43 | 176.8 | -170.1 | -173.5 | -72.5 | 0 | 0 | 111.8 | R354 M355 R361 M362 | R354-M358 WeakPolarHBondContact O-CB 3.3Å; R354-M358 PolarHBondContact O-N 3.01Å; M355-M358 PolarHBondContact O-N 2.89Å; M358-R361 PolarHBondContact O-N 3.01Å; M358-M362 PolarHBondContact O-N 2.67Å |
| 359 | L | 82.7 | Confident | 79.3 | Confident | 106 Ų | 106 | 135.9 Ų | 135.9 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.6 | -39.5 | 175.2 | -86.4 | 157.6 | 0 | 0 | 0 | 112.3 | M355 Q356 K363 | M355-L359 HydrophobicContact CG-CD1 4.17Å; M355-L359 WeakPolarHBondContact O-CB 3.41Å; M355-L359 PolarHBondContact O-N 2.9Å; Q356-L359 PolarHBondContact O-N 3.1Å; L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 2.79Å |
| 360 | Q | 84.7 | Confident | 79.1 | Confident | 130 Ų | 130 | 137.8 Ų | 137.8 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.3 | -42.9 | 175.2 | -78.3 | -178.7 | -3 | 0 | 0 | 112 | Q356 E357 K363 Q364 | Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 2.88Å; E357-Q360 PolarHBondContact O-N 3.2Å; Q360-K363 PolarHBondContact O-N 2.84Å; Q360-Q364 PolarHBondContact O-N 3.12Å |
| 361 | R | 83.9 | Confident | 78.8 | Confident | 164 Ų | 164 | 138.7 Ų | 138.7 | 62% | 0.619 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 175.6 | -74.9 | -178.6 | -177.8 | 164.9 | 5.1 | 112.5 | E357 M358 K363 Q364 Q365 | E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.35Å; M358-R361 PolarHBondContact O-N 3.01Å; R361-K363 VanDerWaalsContact C-N 3.35Å; R361-Q364 PolarHBondContact O-N 3.11Å; R361-Q365 WeakPolarHBondContact O-CG 3.45Å; R361-Q365 PolarHBondContact O-N 2.88Å |
| 362 | M | 79.6 | Confident | 78.5 | Confident | 118 Ų | 118 | 139.4 Ų | 139.4 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.1 | -39 | 175 | -80.6 | -165.6 | 175.7 | 0 | 0 | 112.2 | M358 Q365 M366 | M358-M362 PolarHBondContact O-N 2.67Å; M362-Q365 PolarHBondContact O-N 3.37Å; M362-M366 PolarHBondContact O-N 3.37Å; M362-M366 VanDerWaalsContact O-N 3.08Å |
| 363 | K | 77.7 | Confident | 78.4 | Confident | 150 Ų | 150 | 142.3 Ų | 142.3 | 65% | 0.652 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.9 | -40.5 | 174.7 | -94.5 | -171.8 | 172.4 | -176.5 | 0 | 112.8 | L359 Q360 R361 M366 Q367 | L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 2.79Å; Q360-K363 PolarHBondContact O-N 2.84Å; R361-K363 VanDerWaalsContact C-N 3.35Å; K363-M366 PolarHBondContact O-N 2.79Å; K363-Q367 PolarHBondContact O-N 3.12Å |
| 364 | Q | 82.4 | Confident | 77.9 | Confident | 117 Ų | 117 | 139.9 Ų | 139.9 | 55% | 0.547 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 175.9 | -78.8 | 174 | -15.4 | 0 | 0 | 111.5 | Q360 R361 M366 Q367 D368 | Q360-Q364 PolarHBondContact O-N 3.12Å; R361-Q364 PolarHBondContact O-N 3.11Å; Q364-M366 VanDerWaalsContact C-N 3.28Å; Q364-M366 PolarHBondContact O-N 2.85Å; Q364-Q367 PolarHBondContact O-N 2.98Å; Q364-D368 PolarHBondContact O-N 2.95Å |
| 365 | Q | 79.6 | Confident | 77.5 | Confident | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.5 | -29.3 | 177.4 | -72 | -179.4 | 6.3 | 0 | 0 | 113.9 | R361 M362 | R361-Q365 WeakPolarHBondContact O-CG 3.45Å; R361-Q365 PolarHBondContact O-N 2.88Å; M362-Q365 PolarHBondContact O-N 3.37Å |
| 366 | M | 70.8 | Confident | 77.3 | Confident | 151 Ų | 151 | 139.1 Ų | 139.1 | 74% | 0.744 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.6 | -16.3 | 172.3 | -99.2 | -155 | -61.2 | 0 | 0 | 114 | M362 K363 Q364 | M362-M366 PolarHBondContact O-N 3.37Å; M362-M366 VanDerWaalsContact O-N 3.08Å; K363-M366 PolarHBondContact O-N 2.79Å; Q364-M366 VanDerWaalsContact C-N 3.28Å; Q364-M366 PolarHBondContact O-N 2.85Å |
| 367 | Q | 71 | Confident | 77.1 | Confident | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -91.8 | -22.5 | 175.7 | -79.5 | -176.6 | -26.5 | 0 | 0 | 112.7 | K363 Q364 | K363-Q367 PolarHBondContact O-N 3.12Å; Q364-Q367 PolarHBondContact O-N 2.98Å |
| 368 | D | 67.8 | Low | 76.2 | Confident | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | trans | -93.1 | 3.3 | 177.9 | -71.3 | -28.6 | 0 | 0 | 0 | 113.9 | Q364 | Q364-D368 PolarHBondContact O-N 2.95Š| ||
| 369 | Q | 51.2 | Low | 75.6 | Confident | 227 Ų | 227 | 145.7 Ų | 145.7 | 100% | 1.061 | 68% | 0.684 | S | S | * | * | trans | -111.9 | 0 | 165.1 | -85.2 | -177.1 | 37.9 | 0 | 0 | 109.6 |
Retrieved 369 of 369 residues in 74 ms
(Link to these results)