| 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 | 32.2 | Very low | 31 | Very low | 231 Ų | 231 | 152.1 Ų | 152.1 | 100% | 1.138 | 83% | 0.834 | S | S | * | * | 0 | 119.8 | 0 | -152.5 | -175.1 | -89.9 | 0 | 0 | 105.7 | |||||
| 2 | I | 35.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 73% | 0.728 | 82% | 0.823 | S | S | * | * | trans | 83.1 | 119.3 | 171.6 | -50.9 | 164.3 | 0 | 0 | 0 | 116.7 | ||||
| 3 | W | 32.6 | Very low | 30.7 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | cis | -149.3 | 143.5 | -4.9 | -91.2 | -2.1 | 0 | 0 | 0 | 108.4 | L5 | W3-L5 PolarHBondContact O-N 3.05Š| ||
| 4 | A | 28.6 | Very low | 30.9 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -73 | 117.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G6 | A4-G6 PolarHBondContact O-N 2.9Š| ||
| 5 | L | 34.8 | Very low | 31.6 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 99.9 | 163.1 | -95.5 | 143.5 | 0 | 0 | 0 | 107.3 | W3 L7 | W3-L5 PolarHBondContact O-N 3.05Å; L5-L7 PolarHBondContact O-N 2.94Å; L5-L7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | G | 28.8 | Very low | 32.8 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -59.3 | 107.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | A4 C8 | A4-G6 PolarHBondContact O-N 2.9Å; G6-C8 PolarHBondContact O-N 2.95Å; G6-C8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | L | 32.3 | Very low | 34.9 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 109.2 | 162.3 | -135 | 86.8 | 0 | 0 | 0 | 106.2 | L5 C9 | L5-L7 PolarHBondContact O-N 2.94Å; L5-L7 VanDerWaalsContact O-N 3.07Å; L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.7Å | ||
| 8 | C | 28.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 95.3 | 172.7 | -142.3 | 0 | 0 | 0 | 0 | 107.1 | G6 L10 | G6-C8 PolarHBondContact O-N 2.95Å; G6-C8 VanDerWaalsContact O-N 3.12Å; C8-L10 PolarHBondContact O-N 3.21Å | ||
| 9 | C | 28.5 | Very low | 40.3 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | trans | -65.3 | 85.9 | 161.8 | -73.2 | 0 | 0 | 0 | 0 | 107 | L7 F11 | L7-C9 VanDerWaalsContact C-N 3.31Å; L7-C9 PolarHBondContact O-N 2.7Å; C9-F11 PolarHBondContact O-N 3.09Å | ||
| 10 | L | 31.1 | Very low | 42.9 | Very low | 146 Ų | 146 | 123.8 Ų | 123.8 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -57 | 108.7 | 157.4 | -78.6 | 162.1 | 0 | 0 | 0 | 106.1 | C8 L12 | C8-L10 PolarHBondContact O-N 3.21Å; L10-L12 PolarHBondContact O-N 3.34Å | ||
| 11 | F | 27.7 | Very low | 45.4 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 88% | 0.882 | 69% | 0.691 | S | S | * | * | trans | -57.8 | 86.1 | 157.9 | -81.7 | -92.6 | 0 | 0 | 0 | 107.2 | C9 | C9-F11 PolarHBondContact O-N 3.09Š| ||
| 12 | L | 29.2 | Very low | 48.4 | Very low | 134 Ų | 134 | 117 Ų | 117 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | trans | -62.9 | 137.4 | 155.9 | -80 | 158.9 | 0 | 0 | 0 | 106.4 | L10 | L10-L12 PolarHBondContact O-N 3.34Š| ||
| 13 | P | 29.5 | Very low | 51.3 | Low | 89 Ų | 89 | 115.6 Ų | 115.6 | 58% | 0.578 | 63% | 0.634 | S | S | * | * | trans | -58.4 | 147.3 | 173.7 | 29.3 | -32 | 0 | 0 | 0 | 107.6 | F15 | P13-F15 VanDerWaalsContact C-N 3.26Å; P13-F15 HydrophobicContact CG-CD2 4.04Å; P13-F15 HydrophobicContact CG-CE2 3.64Å; P13-F15 HydrophobicContact CG-CZ 4.34Å; P13-F15 WeakPolarHBondContact O-CD2 3.41Å; P13-F15 PolarHBondContact O-N 2.84Å | ||
| 14 | A | 33 | Very low | 54.4 | Low | 107 Ų | 107 | 105.3 Ų | 105.3 | 88% | 0.884 | 60% | 0.595 | S | S | * | * | trans | -55.8 | 91.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S16 | A14-S16 PolarHBondContact O-N 2.99Š| ||
| 15 | F | 41 | Very low | 57.6 | Low | 143 Ų | 143 | 101.5 Ų | 101.5 | 63% | 0.627 | 56% | 0.564 | S | S | * | * | trans | -74.1 | 119.8 | 165.6 | -82.5 | -80.7 | 0 | 0 | 0 | 105.9 | P13 E17 E103 | P13-F15 VanDerWaalsContact C-N 3.26Å; P13-F15 HydrophobicContact CG-CD2 4.04Å; P13-F15 HydrophobicContact CG-CE2 3.64Å; P13-F15 HydrophobicContact CG-CZ 4.34Å; P13-F15 WeakPolarHBondContact O-CD2 3.41Å; P13-F15 PolarHBondContact O-N 2.84Å; F15-E17 PolarHBondContact O-N 3.09Å; F15-E17 VanDerWaalsContact O-N 3.1Å; F15-E103 VanDerWaalsContact CD1-OE1 3.3Å; F15-E103 WeakPolarHBondContact CD1-OE1 3.35Å | ||
| 16 | S | 51.1 | Low | 60.4 | Low | 87 Ų | 87 | 93.3 Ų | 93.3 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | trans | -73.8 | 103.7 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 107.5 | A14 L18 | A14-S16 PolarHBondContact O-N 2.99Å; S16-L18 PolarHBondContact O-N 3.27Å; S16-L18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | E | 68.3 | Low | 63.5 | Low | 112 Ų | 112 | 93.7 Ų | 93.7 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | trans | -57.5 | 118.1 | 172.9 | -167.8 | 177.6 | -172.9 | 0 | 0 | 108.5 | F15 V19 R106 | F15-E17 PolarHBondContact O-N 3.09Å; F15-E17 VanDerWaalsContact O-N 3.1Å; E17-V19 PolarHBondContact O-N 3.26Å; E17-R106 HydrophobicContact CG-CB 4.19Å; E17-R106 WeakPolarHBondContact OE1-CB 3.37Å | ||
| 18 | L | 83 | Confident | 66.5 | Low | 50 Ų | 50 | 88.5 Ų | 88.5 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 105.8 | -179.3 | -178.1 | 61.1 | 0 | 0 | 0 | 108.2 | S16 I105 R106 | S16-L18 PolarHBondContact O-N 3.27Å; S16-L18 VanDerWaalsContact O-N 3.09Å; L18-I105 HydrophobicContact CD2-CD1 4.4Å; L18-I105 HydrophobicContact CD2-CG1 4.09Å; L18-I105 CarbonylContact O-C 3.44Å; L18-I105 VanDerWaalsContact O-CA 3.23Å; L18-I105 WeakPolarHBondContact O-CA 3.46Å; L18-R106 PolarHBondContact O-N 3.12Å |
| 19 | V | 90 | Very high | 69.6 | Low | 63 Ų | 63 | 87 Ų | 87 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.5 | 178.8 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | E17 R21 R106 I108 | E17-V19 PolarHBondContact O-N 3.26Å; V19-R21 HydrophobicContact CG1-CG 4.23Å; V19-R106 WeakPolarHBondContact CA-O 3.3Å; V19-R106 HydrophobicContact CG2-CB 4.31Å; V19-I108 HydrophobicContact CG1-CD1 3.59Å; V19-I108 HydrophobicContact CG1-CG1 4.22Å |
| 20 | Q | 92.2 | Very high | 72.7 | Confident | 18 Ų | 18 | 85.8 Ų | 85.8 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.5 | 169.5 | -81.1 | 176.1 | 56.2 | 0 | 0 | 110.4 | F22 T38 I105 R106 V107 I108 | Q20-F22 HydrophobicContact CB-CE2 4.04Å; Q20-F22 HydrophobicContact CB-CZ 4.34Å; Q20-T38 PolarHBondContact NE2-O 2.85Å; Q20-T38 PolarHBondContact NE2-OG1 2.92Å; Q20-T38 PolarHBondContact OE1-OG1 3.38Å; Q20-I105 HydrophobicContact CB-CG2 4.07Å; Q20-I105 HydrophobicContact CG-CG2 4.06Å; Q20-R106 PolarHBondContact N-O 2.75Å; Q20-V107 WeakPolarHBondContact O-CA 3.38Å; Q20-I108 PolarHBondContact O-N 2.76Å |
| 21 | R | 95.3 | Very high | 75.7 | Confident | 179 Ų | 179 | 80.5 Ų | 80.5 | 68% | 0.675 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.5 | -179.3 | -66.1 | 179.9 | 178.6 | -89.5 | 0.4 | 109.2 | V19 I108 | V19-R21 HydrophobicContact CG1-CG 4.23Å; R21-I108 CarbonylContact C-O 3.47Å; R21-I108 VanDerWaalsContact CA-O 3.32Å; R21-I108 WeakPolarHBondContact CA-O 3.49Å; R21-I108 HydrophobicContact CG-CB 4.26Å; R21-I108 HydrophobicContact CG-CD1 4.27Å |
| 22 | F | 96.3 | Very high | 79 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 154.3 | 172 | -58.1 | -78 | 0 | 0 | 0 | 109.4 | Q20 V34 L37 I78 V107 I108 I109 E110 | Q20-F22 HydrophobicContact CB-CE2 4.04Å; Q20-F22 HydrophobicContact CB-CZ 4.34Å; F22-V34 HydrophobicContact CB-CG1 3.68Å; F22-V34 HydrophobicContact CG-CG1 4.33Å; F22-L37 HydrophobicContact CE2-CD2 3.98Å; F22-L37 HydrophobicContact CZ-CD2 4.32Å; F22-I78 HydrophobicContact CD2-CD1 3.9Å; F22-I78 HydrophobicContact CE2-CD1 3.68Å; F22-I78 HydrophobicContact CZ-CD1 4.35Å; F22-V107 HydrophobicContact CD2-CG1 3.85Å; F22-V107 HydrophobicContact CE2-CG1 3.86Å; F22-I108 PolarHBondContact N-O 3.05Å; F22-I109 HydrophobicContact CB-CG1 4.37Å; F22-I109 WeakPolarHBondContact O-CA 3.21Å; F22-E110 PolarHBondContact O-N 3Å |
| 23 | Q | 96.3 | Very high | 82.2 | Confident | 113 Ų | 113 | 70.2 Ų | 70.2 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.3 | 176.7 | -75.7 | 178.1 | -21.2 | 0 | 0 | 108.6 | E110 L112 | Q23-E110 VanDerWaalsContact CA-O 3.31Å; Q23-E110 WeakPolarHBondContact CA-O 3.48Å; Q23-E110 HydrophobicContact CG-CB 4.14Å; Q23-E110 PolarHBondContact NE2-OE2 3.28Å; Q23-L112 HydrophobicContact CB-CD1 4.07Å; Q23-L112 HydrophobicContact CB-CD2 4.29Å; Q23-L112 HydrophobicContact CB-CG 4.09Å; Q23-L112 HydrophobicContact CG-CD2 4.12Å; Q23-L112 HydrophobicContact CG-CG 4.46Å |
| 24 | I | 96.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.1 | 173.2 | -173.8 | 163.3 | 0 | 0 | 0 | 108.5 | E28 T32 V34 T80 L84 I109 E110 V111 L112 | I24-E28 HydrophobicContact CD1-CB 4.29Å; I24-E28 HydrophobicContact CG1-CB 4.34Å; I24-E28 HydrophobicContact CG1-CG 4.09Å; I24-T32 HydrophobicContact CD1-CG2 3.76Å; I24-V34 HydrophobicContact CB-CG1 4.46Å; I24-V34 HydrophobicContact CB-CG2 4.44Å; I24-V34 HydrophobicContact CD1-CG2 3.64Å; I24-V34 HydrophobicContact CG2-CG2 4.44Å; I24-T80 HydrophobicContact CD1-CG2 3.44Å; I24-T80 VanDerWaalsContact CD1-CG2 3.44Å; I24-L84 HydrophobicContact CG2-CD1 3.76Å; I24-I109 HydrophobicContact CG2-CG2 4.04Å; I24-E110 PolarHBondContact N-O 3.08Å; I24-E110 VanDerWaalsContact N-O 3.1Å; I24-V111 CarbonylContact O-C 3.59Å; I24-V111 VanDerWaalsContact O-CA 3.27Å; I24-V111 WeakPolarHBondContact O-CA 3.43Å; I24-L112 PolarHBondContact O-N 2.9Å |
| 25 | A | 95.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 149.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E28 L112 | A25-E28 HydrophobicContact CB-CG 4.01Å; A25-E28 WeakPolarHBondContact O-CG 3.33Å; A25-L112 WeakPolarHBondContact CA-O 3.5Å |
| 26 | E | 95.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 168.3 | 168 | 78 | -172.8 | 114.5 | 0 | 0 | 112 | E28 L84 R86 V111 L112 D113 R114 | E26-E28 PolarHBondContact O-N 2.9Å; E26-L84 WeakPolarHBondContact CB-O 3.4Å; E26-R86 HydrophobicContact CB-CB 4.22Å; E26-R86 VanDerWaalsContact OE2-CB 3.29Å; E26-R86 WeakPolarHBondContact OE2-CB 3.42Å; E26-R86 PolarHBondContact OE2-N 3.43Å; E26-V111 HydrophobicContact CB-CG1 3.62Å; E26-L112 PolarHBondContact N-O 2.92Å; E26-D113 VanDerWaalsContact OE1-CA 3.29Å; E26-D113 WeakPolarHBondContact OE1-CA 3.35Å; E26-R114 HydrophobicContact CG-CB 3.94Å; E26-R114 HydrophobicContact CG-CG 4.04Å; E26-R114 PolarHBondContact O-NE 3.4Å; E26-R114 PolarHBondContact OE1-N 3.01Å |
| 27 | N | 93.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 9 | -177.5 | -67.7 | -50 | 0 | 0 | 0 | 115 | L84 D116 | N27-L84 PolarHBondContact N-O 2.82Å; N27-D116 PolarHBondContact ND2-OD2 3.5Å |
| 28 | E | 94 | Very high | 92.8 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -65 | 140.9 | 170.6 | -68.5 | -62.7 | 149.9 | 0 | 0 | 109.9 | I24 A25 E26 T32 A83 R114 | I24-E28 HydrophobicContact CD1-CB 4.29Å; I24-E28 HydrophobicContact CG1-CB 4.34Å; I24-E28 HydrophobicContact CG1-CG 4.09Å; A25-E28 HydrophobicContact CB-CG 4.01Å; A25-E28 WeakPolarHBondContact O-CG 3.33Å; E26-E28 PolarHBondContact O-N 2.9Å; E28-T32 HydrophobicContact CB-CG2 4.22Å; E28-A83 WeakPolarHBondContact O-CA 3.42Å; E28-R114 IonicContact OE1-CZ 3.54Å; E28-R114 IonicContact OE1-NH2 3.37Å; E28-R114 PolarHBondContact OE1-NH2 3.25Å |
| 29 | P | 93.9 | Very high | 92.1 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 155.3 | -174.9 | 25.2 | -32.4 | 0 | 0 | 0 | 112 | G31 T32 T80 | P29-G31 PolarHBondContact O-N 2.85Å; P29-T32 WeakPolarHBondContact O-CB 3.35Å; P29-T32 PolarHBondContact O-N 3.41Å; P29-T32 PolarHBondContact O-OG1 3.12Å; P29-T80 PolarHBondContact O-OG1 2.64Å |
| 30 | S | 94.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 138.2 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | T81 | S30-T81 WeakPolarHBondContact CB-O 3.21Å; S30-T81 VanDerWaalsContact OG-C 3.22Å; S30-T81 PolarHBondContact OG-O 3.38Å |
| 31 | G | 94.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 57 Ų | 57 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P29 L33 R79 T80 | P29-G31 PolarHBondContact O-N 2.85Å; G31-L33 PolarHBondContact O-N 3.31Å; G31-R79 PolarHBondContact O-NH1 3.38Å; G31-R79 VanDerWaalsContact O-NH1 3.09Å; G31-T80 WeakPolarHBondContact CA-O 3.42Å; G31-T80 PolarHBondContact N-O 3Å; G31-T80 PolarHBondContact N-OG1 3.31Å |
| 32 | T | 96.2 | Very high | 86.5 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | trans | -64.7 | 132.3 | 178.5 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | I24 E28 P29 V34 R79 T80 | I24-T32 HydrophobicContact CD1-CG2 3.76Å; E28-T32 HydrophobicContact CB-CG2 4.22Å; P29-T32 WeakPolarHBondContact O-CB 3.35Å; P29-T32 PolarHBondContact O-N 3.41Å; P29-T32 PolarHBondContact O-OG1 3.12Å; T32-V34 PolarHBondContact O-N 2.81Å; T32-R79 CarbonylContact O-C 3.51Å; T32-R79 WeakPolarHBondContact O-CA 3.48Å; T32-T80 PolarHBondContact N-OG1 3.49Å; T32-T80 VanDerWaalsContact N-OG1 3.12Å; T32-T80 PolarHBondContact O-N 3.01Å | ||
| 33 | L | 96.5 | Very high | 84.2 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.2 | 178.4 | -179.2 | 68.6 | 0 | 0 | 0 | 110 | G31 V36 E77 R79 | G31-L33 PolarHBondContact O-N 3.31Å; L33-V36 HydrophobicContact CD1-CG2 4.42Å; L33-E77 HydrophobicContact CD1-CB 4.33Å; L33-E77 HydrophobicContact CD1-CG 4.39Å; L33-R79 HydrophobicContact CD1-CG 4.13Å |
| 34 | V | 95.5 | Very high | 81.5 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -40.5 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | F22 I24 T32 F69 I78 T80 I109 | F22-V34 HydrophobicContact CB-CG1 3.68Å; F22-V34 HydrophobicContact CG-CG1 4.33Å; I24-V34 HydrophobicContact CB-CG1 4.46Å; I24-V34 HydrophobicContact CB-CG2 4.44Å; I24-V34 HydrophobicContact CD1-CG2 3.64Å; I24-V34 HydrophobicContact CG2-CG2 4.44Å; T32-V34 PolarHBondContact O-N 2.81Å; V34-F69 HydrophobicContact CG2-CD1 3.91Å; V34-F69 HydrophobicContact CG2-CE1 3.7Å; V34-I78 HydrophobicContact CB-CB 4.14Å; V34-I78 HydrophobicContact CB-CG2 3.86Å; V34-I78 WeakPolarHBondContact CB-O 3.43Å; V34-I78 HydrophobicContact CG1-CG2 4.25Å; V34-I78 HydrophobicContact CG2-CG2 4.09Å; V34-I78 PolarHBondContact N-O 2.88Å; V34-T80 HydrophobicContact CG2-CG2 4Å; V34-I109 HydrophobicContact CG1-CD1 4.26Å; V34-I109 HydrophobicContact CG1-CG1 4.31Å; V34-I109 HydrophobicContact CG1-CG2 3.82Å |
| 35 | G | 93.2 | Very high | 79 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | -178.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I78 | G35-I78 PolarHBondContact O-N 2.92Å |
| 36 | V | 90.9 | Very high | 76.5 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.8 | -179.6 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | L33 T38 T75 G76 E77 | L33-V36 HydrophobicContact CD1-CG2 4.42Å; V36-T38 PolarHBondContact O-N 2.96Å; V36-T75 WeakPolarHBondContact CG1-O 3.28Å; V36-G76 WeakPolarHBondContact CA-O 3.45Å; V36-E77 HydrophobicContact CG1-CG 4.34Å; V36-E77 HydrophobicContact CG2-CG 3.96Å |
| 37 | L | 87.5 | Confident | 74.1 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | trans | -64.5 | 132.8 | 177.3 | -64.1 | 174.5 | 0 | 0 | 0 | 110.9 | F22 Y55 F57 G76 I78 A96 V107 | F22-L37 HydrophobicContact CE2-CD2 3.98Å; F22-L37 HydrophobicContact CZ-CD2 4.32Å; L37-Y55 HydrophobicContact CD1-CD1 4.46Å; L37-F57 HydrophobicContact CD1-CE1 3.85Å; L37-G76 PolarHBondContact N-O 3.34Å; L37-I78 HydrophobicContact CD2-CD1 4.1Å; L37-I78 HydrophobicContact CG-CD1 4.28Å; L37-A96 HydrophobicContact CD1-CB 3.66Å; L37-V107 HydrophobicContact CD2-CG1 4.28Å; L37-V107 HydrophobicContact CD2-CG2 3.47Å; L37-V107 VanDerWaalsContact CD2-CG2 3.47Å | ||
| 38 | T | 78.7 | Confident | 71.8 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 52% | 0.515 | 45% | 0.452 | S | S | . | . | trans | -110 | 144.1 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | Q20 V36 G40 I105 | Q20-T38 PolarHBondContact NE2-O 2.85Å; Q20-T38 PolarHBondContact NE2-OG1 2.92Å; Q20-T38 PolarHBondContact OE1-OG1 3.38Å; V36-T38 PolarHBondContact O-N 2.96Å; T38-G40 PolarHBondContact O-N 2.71Å; T38-I105 WeakPolarHBondContact O-CD1 3.24Å | ||
| 39 | S | 67.9 | Low | 69.7 | Low | 21 Ų | 21 | 74.6 Ų | 74.6 | 15% | 0.147 | 46% | 0.458 | C | S | . | . | trans | -77.8 | -2.7 | -177.7 | 56 | 0 | 0 | 0 | 0 | 114.1 | Y41 | S39-Y41 VanDerWaalsContact O-CD2 3.23Å; S39-Y41 WeakPolarHBondContact O-CD2 3.25Å; S39-Y41 PolarHBondContact O-N 3.41Å | ||
| 40 | G | 60.2 | Low | 67.9 | Low | 53 Ų | 53 | 76.7 Ų | 76.7 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 70.6 | -9.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T38 | T38-G40 PolarHBondContact O-N 2.71Š|
| 41 | Y | 53.8 | Low | 66 | Low | 137 Ų | 137 | 77.1 Ų | 77.1 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -106.3 | 142 | 175.6 | -67.3 | -83.1 | 0 | 0 | 0 | 110.4 | S39 V43 A102 | S39-Y41 VanDerWaalsContact O-CD2 3.23Å; S39-Y41 WeakPolarHBondContact O-CD2 3.25Å; S39-Y41 PolarHBondContact O-N 3.41Å; Y41-V43 PolarHBondContact O-N 3.44Å; Y41-A102 HydrophobicContact CD2-CB 4.43Å; Y41-A102 HydrophobicContact CE2-CB 4.09Å |
| 42 | P | 46.1 | Very low | 64.4 | Low | 126 Ų | 126 | 77.2 Ų | 77.2 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | trans | -64.1 | 104.6 | 165.9 | 25.9 | -28.8 | 0 | 0 | 0 | 107.2 | A44 | P42-A44 PolarHBondContact O-N 3.02Š| ||
| 43 | V | 47.3 | Very low | 63.2 | Low | 81 Ų | 81 | 78.5 Ų | 78.5 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | trans | -61.2 | 105.4 | 172.1 | -175.1 | 0 | 0 | 0 | 0 | 105.9 | Y41 S45 | Y41-V43 PolarHBondContact O-N 3.44Å; V43-S45 PolarHBondContact O-N 2.65Å | ||
| 44 | A | 40.8 | Very low | 62.5 | Low | 63 Ų | 63 | 79.5 Ų | 79.5 | 52% | 0.521 | 47% | 0.474 | S | S | . | . | trans | -53.9 | 129 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P42 S46 F47 | P42-A44 PolarHBondContact O-N 3.02Å; A44-S46 PolarHBondContact O-N 2.77Å; A44-F47 PolarHBondContact O-N 3.29Å; A44-F47 VanDerWaalsContact O-N 3.09Å | ||
| 45 | S | 43.6 | Very low | 62 | Low | 115 Ų | 115 | 79.2 Ų | 79.2 | 80% | 0.804 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 8.7 | -174.1 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | V43 | V43-S45 PolarHBondContact O-N 2.65Š|
| 46 | S | 42 | Very low | 61.7 | Low | 93 Ų | 93 | 84.5 Ų | 84.5 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 2.7 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 114.8 | A44 | A44-S46 PolarHBondContact O-N 2.77Š|
| 47 | F | 44.6 | Very low | 61.7 | Low | 177 Ų | 177 | 83.8 Ų | 83.8 | 78% | 0.776 | 48% | 0.483 | S | S | * | . | trans | -134.1 | 48.7 | 173.8 | -81 | -84.8 | 0 | 0 | 0 | 112.3 | A44 D49 | A44-F47 PolarHBondContact O-N 3.29Å; A44-F47 VanDerWaalsContact O-N 3.09Å; F47-D49 PolarHBondContact O-N 2.85Å | ||
| 48 | I | 46.2 | Very low | 61.8 | Low | 131 Ų | 131 | 87.7 Ų | 87.7 | 67% | 0.672 | 50% | 0.503 | S | S | * | . | trans | -84.5 | 97.3 | 162.9 | -57.3 | 174.8 | 0 | 0 | 0 | 105.8 | P50 | I48-P50 WeakPolarHBondContact O-CD 3.16Š| ||
| 49 | D | 50.9 | Low | 62.5 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | trans | -56.9 | 124.2 | 159.2 | -174.9 | -15.4 | 0 | 0 | 0 | 106.3 | F47 N51 G52 | F47-D49 PolarHBondContact O-N 2.85Å; D49-N51 PolarHBondContact O-N 3.4Å; D49-N51 WeakPolarHBondContact OD1-CB 3.47Å; D49-N51 PolarHBondContact OD1-N 3.49Å; D49-N51 PolarHBondContact OD1-ND2 2.95Å; D49-G52 PolarHBondContact O-N 3.49Å | ||
| 50 | P | 54.3 | Low | 63.5 | Low | 126 Ų | 126 | 87.9 Ų | 87.9 | 82% | 0.818 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -9.2 | 174.1 | 21.3 | -31.9 | 0 | 0 | 0 | 113.5 | I48 | I48-P50 WeakPolarHBondContact O-CD 3.16Š|
| 51 | N | 55.5 | Low | 64.7 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -0.6 | 176.6 | -59.5 | -64.5 | 0 | 0 | 0 | 116.3 | D49 | D49-N51 PolarHBondContact O-N 3.4Å; D49-N51 WeakPolarHBondContact OD1-CB 3.47Å; D49-N51 PolarHBondContact OD1-N 3.49Å; D49-N51 PolarHBondContact OD1-ND2 2.95Å |
| 52 | G | 61.8 | Low | 66.2 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | trans | 80.3 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D49 | D49-G52 PolarHBondContact O-N 3.49Š| ||
| 53 | I | 70 | Confident | 68.2 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 31% | 0.313 | 49% | 0.488 | S | S | . | . | trans | -84 | 119.8 | 178.1 | -61.1 | 175.2 | 0 | 0 | 0 | 107.9 | Y55 R74 P98 | I53-Y55 HydrophobicContact CB-CE2 3.9Å; I53-Y55 HydrophobicContact CG2-CD2 4.42Å; I53-Y55 HydrophobicContact CG2-CE1 4.16Å; I53-Y55 HydrophobicContact CG2-CE2 3.85Å; I53-Y55 WeakPolarHBondContact O-CD2 3.23Å; I53-Y55 VanDerWaalsContact O-CE2 3.25Å; I53-Y55 WeakPolarHBondContact O-CE2 3.46Å; I53-R74 PolarHBondContact N-O 2.79Å; I53-R74 CarbonylContact O-C 3.56Å; I53-R74 WeakPolarHBondContact O-CA 3.31Å; I53-R74 VanDerWaalsContact O-O 3.09Å; I53-P98 HydrophobicContact CG2-CB 3.97Å | ||
| 54 | K | 81.8 | Confident | 70.3 | Confident | 105 Ų | 105 | 88.8 Ų | 88.8 | 46% | 0.457 | 49% | 0.486 | S | S | . | . | trans | -77.4 | 130.6 | 175.1 | -167.4 | 173.6 | -176.5 | 179.9 | 0 | 111.3 | D73 V99 | K54-D73 CarbonylContact C-O 3.59Å; K54-D73 VanDerWaalsContact CA-O 3.24Å; K54-D73 WeakPolarHBondContact CA-O 3.45Å; K54-V99 HydrophobicContact CB-CB 4.37Å; K54-V99 HydrophobicContact CB-CG2 3.93Å; K54-V99 HydrophobicContact CD-CG2 4.33Å; K54-V99 HydrophobicContact CG-CG2 3.99Å; K54-V99 VanDerWaalsContact O-CG2 3.31Å; K54-V99 WeakPolarHBondContact O-CG2 3.31Å; K54-V99 PolarHBondContact O-N 3.17Å | ||
| 55 | Y | 85.2 | Confident | 72.7 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 4% | 0.035 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 144.3 | 176.4 | -64 | -86.9 | 0 | 0 | 0 | 112.1 | L37 I53 F57 D73 A96 I97 P98 I105 | L37-Y55 HydrophobicContact CD1-CD1 4.46Å; I53-Y55 HydrophobicContact CB-CE2 3.9Å; I53-Y55 HydrophobicContact CG2-CD2 4.42Å; I53-Y55 HydrophobicContact CG2-CE1 4.16Å; I53-Y55 HydrophobicContact CG2-CE2 3.85Å; I53-Y55 WeakPolarHBondContact O-CD2 3.23Å; I53-Y55 VanDerWaalsContact O-CE2 3.25Å; I53-Y55 WeakPolarHBondContact O-CE2 3.46Å; Y55-F57 HydrophobicContact CG-CE1 4.32Å; Y55-F57 HydrophobicContact CG-CZ 4.39Å; Y55-D73 PolarHBondContact N-O 3.1Å; Y55-A96 HydrophobicContact CD1-CB 4.24Å; Y55-I97 WeakPolarHBondContact CA-O 3.43Å; Y55-P98 HydrophobicContact CD1-CB 4.21Å; Y55-P98 HydrophobicContact CE1-CB 4.06Å; Y55-I105 HydrophobicContact CE1-CD1 3.99Å |
| 56 | F | 87.3 | Confident | 75 | Confident | 126 Ų | 126 | 87.3 Ų | 87.3 | 55% | 0.553 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.2 | 161.1 | -79.6 | -72.9 | 0 | 0 | 0 | 109.5 | I97 V99 | F56-I97 PolarHBondContact N-O 2.85Å; F56-I97 PolarHBondContact O-N 2.89Å; F56-V99 HydrophobicContact CD2-CG2 3.47Å; F56-V99 VanDerWaalsContact CD2-CG2 3.47Å; F56-V99 HydrophobicContact CE2-CG2 3.48Å; F56-V99 VanDerWaalsContact CE2-CG2 3.48Å |
| 57 | F | 90.9 | Very high | 77.4 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 19% | 0.189 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.9 | 179.9 | -53.4 | -63.2 | 0 | 0 | 0 | 111.2 | L37 Y55 Y59 V71 D73 F94 L95 A96 | L37-F57 HydrophobicContact CD1-CE1 3.85Å; Y55-F57 HydrophobicContact CG-CE1 4.32Å; Y55-F57 HydrophobicContact CG-CZ 4.39Å; F57-Y59 HydrophobicContact CB-CE1 3.86Å; F57-Y59 HydrophobicContact CB-CE2 3.82Å; F57-Y59 VanDerWaalsContact CB-CZ 3.41Å; F57-Y59 WeakPolarHBondContact CB-OH 3.44Å; F57-Y59 WeakPolarHBondContact CD2-OH 3.4Å; F57-Y59 WeakPolarHBondContact CG-OH 3.48Å; F57-V71 HydrophobicContact CD1-CG1 4.31Å; F57-V71 HydrophobicContact CD2-CB 4.45Å; F57-V71 HydrophobicContact CE1-CB 4.45Å; F57-V71 HydrophobicContact CE1-CG1 3.57Å; F57-V71 HydrophobicContact CE2-CB 4Å; F57-V71 HydrophobicContact CE2-CG1 3.79Å; F57-V71 HydrophobicContact CZ-CB 4.02Å; F57-V71 HydrophobicContact CZ-CG1 3.27Å; F57-D73 HydrophobicContact CE2-CB 4.05Å; F57-F94 HydrophobicContact CD1-CD2 4.17Å; F57-F94 AromaticContact CD1-CE2 3.84Å; F57-F94 HydrophobicContact CD1-CE2 3.84Å; F57-F94 HydrophobicContact CE1-CE2 4.26Å; F57-L95 CarbonylContact C-O 3.57Å; F57-L95 WeakPolarHBondContact CA-O 3.15Å; F57-A96 HydrophobicContact CD1-CB 3.69Å; F57-A96 HydrophobicContact CE1-CB 3.7Å |
| 58 | I | 90 | Very high | 79.7 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 112.3 | 170.7 | -55.5 | -178.4 | 0 | 0 | 0 | 107.3 | L95 I97 | I58-L95 HydrophobicContact CB-CB 4.24Å; I58-L95 HydrophobicContact CD1-CD2 4.29Å; I58-L95 PolarHBondContact N-O 3.19Å; I58-L95 PolarHBondContact O-N 2.86Å; I58-I97 HydrophobicContact CD1-CD1 3.68Å; I58-I97 HydrophobicContact CG1-CD1 4.34Å |
| 59 | Y | 92.1 | Very high | 82.1 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 119.8 | 176.3 | -53.9 | -62.4 | 0 | 0 | 0 | 109.2 | F57 V65 E66 F94 | F57-Y59 HydrophobicContact CB-CE1 3.86Å; F57-Y59 HydrophobicContact CB-CE2 3.82Å; F57-Y59 VanDerWaalsContact CB-CZ 3.41Å; F57-Y59 WeakPolarHBondContact CB-OH 3.44Å; F57-Y59 WeakPolarHBondContact CD2-OH 3.4Å; F57-Y59 WeakPolarHBondContact CG-OH 3.48Å; Y59-V65 HydrophobicContact CD1-CB 3.7Å; Y59-V65 HydrophobicContact CD1-CG1 3.55Å; Y59-V65 HydrophobicContact CD1-CG2 4.43Å; Y59-V65 HydrophobicContact CE1-CB 4.07Å; Y59-V65 HydrophobicContact CE1-CG1 3.39Å; Y59-E66 HydrophobicContact CD1-CG 4.39Å; Y59-E66 HydrophobicContact CD2-CG 3.23Å; Y59-E66 WeakPolarHBondContact CD2-OE1 3.49Å; Y59-E66 HydrophobicContact CE2-CG 3.37Å; Y59-E66 HydrophobicContact CG-CG 3.78Å; Y59-F94 HydrophobicContact CD1-CB 3.5Å; Y59-F94 VanDerWaalsContact CD1-CB 3.5Å; Y59-F94 HydrophobicContact CD1-CD2 4.23Å; Y59-F94 AromaticContact CD1-CG 3.97Å; Y59-F94 HydrophobicContact CD1-CG 3.97Å; Y59-F94 HydrophobicContact CE1-CB 3.91Å; Y59-F94 AromaticContact CE1-CD2 3.75Å; Y59-F94 HydrophobicContact CE1-CD2 3.75Å; Y59-F94 HydrophobicContact CE1-CE2 4.38Å; Y59-F94 AromaticContact CE1-CG 3.84Å; Y59-F94 HydrophobicContact CE1-CG 3.84Å |
| 60 | P | 89.4 | Confident | 84.2 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 148.9 | 171.4 | -22.5 | 32.5 | 0 | 0 | 0 | 110.9 | E62 S63 V93 | P60-E62 PolarHBondContact O-N 2.83Å; P60-S63 WeakPolarHBondContact O-CB 3.33Å; P60-S63 PolarHBondContact O-N 2.8Å; P60-S63 VanDerWaalsContact O-N 3.12Å; P60-S63 PolarHBondContact O-OG 2.71Å; P60-V93 VanDerWaalsContact CD-O 3.29Å; P60-V93 WeakPolarHBondContact CD-O 3.36Å |
| 61 | P | 86.1 | Confident | 86 | Confident | 125 Ų | 125 | 65.5 Ų | 65.5 | 81% | 0.812 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 140.5 | 169.7 | -23.6 | 33.2 | 0 | 0 | 0 | 110.7 | S63 | P61-S63 PolarHBondContact O-N 3.38Å; P61-S63 VanDerWaalsContact O-N 3.08Å |
| 62 | E | 85.3 | Confident | 87.7 | Confident | 163 Ų | 163 | 64.6 Ų | 64.6 | 76% | 0.762 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 20.9 | -179.5 | -54.3 | 178.2 | -174.4 | 0 | 0 | 114.5 | P60 Y64 K89 | P60-E62 PolarHBondContact O-N 2.83Å; E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 HydrophobicContact CB-CE2 4.36Å; E62-Y64 WeakPolarHBondContact O-CD2 3.46Å; E62-Y64 WeakPolarHBondContact O-CE2 3.49Å; E62-Y64 PolarHBondContact O-N 3.35Å; E62-K89 PolarHBondContact O-NZ 3.24Å |
| 63 | S | 87.8 | Confident | 88.9 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | trans | -71.7 | -22.4 | 173 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | P60 P61 V65 K89 Y92 | P60-S63 WeakPolarHBondContact O-CB 3.33Å; P60-S63 PolarHBondContact O-N 2.8Å; P60-S63 VanDerWaalsContact O-N 3.12Å; P60-S63 PolarHBondContact O-OG 2.71Å; P61-S63 PolarHBondContact O-N 3.38Å; P61-S63 VanDerWaalsContact O-N 3.08Å; S63-V65 PolarHBondContact O-N 3.07Å; S63-K89 VanDerWaalsContact O-CE 3.29Å; S63-K89 WeakPolarHBondContact O-CE 3.34Å; S63-Y92 VanDerWaalsContact O-CD1 3.24Å; S63-Y92 WeakPolarHBondContact O-CD1 3.41Å | ||
| 64 | Y | 90.4 | Very high | 89.5 | Confident | 114 Ų | 114 | 69.4 Ų | 69.4 | 45% | 0.447 | 35% | 0.349 | S | S | . | . | trans | 57.5 | 7.5 | -173.6 | -63.8 | -97.9 | 0 | 0 | 0 | 114.7 | E62 E66 A67 S68 K89 | E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 HydrophobicContact CB-CE2 4.36Å; E62-Y64 WeakPolarHBondContact O-CD2 3.46Å; E62-Y64 WeakPolarHBondContact O-CE2 3.49Å; E62-Y64 PolarHBondContact O-N 3.35Å; Y64-E66 PolarHBondContact O-N 3.07Å; Y64-A67 PolarHBondContact O-N 3.27Å; Y64-A67 VanDerWaalsContact O-N 3.12Å; Y64-S68 PolarHBondContact O-N 3.06Å; Y64-S68 PolarHBondContact O-OG 3.12Å; Y64-K89 HydrophobicContact CD2-CD 3.58Å; Y64-K89 HydrophobicContact CE2-CD 4.32Å; Y64-K89 HydrophobicContact CG-CD 4.06Å | ||
| 65 | V | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | -175 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | Y59 S63 A67 S68 F69 Y92 F94 | Y59-V65 HydrophobicContact CD1-CB 3.7Å; Y59-V65 HydrophobicContact CD1-CG1 3.55Å; Y59-V65 HydrophobicContact CD1-CG2 4.43Å; Y59-V65 HydrophobicContact CE1-CB 4.07Å; Y59-V65 HydrophobicContact CE1-CG1 3.39Å; S63-V65 PolarHBondContact O-N 3.07Å; V65-A67 PolarHBondContact O-N 2.84Å; V65-S68 PolarHBondContact O-N 3.28Å; V65-F69 HydrophobicContact CG1-CB 4.49Å; V65-F69 HydrophobicContact CG1-CD2 4.32Å; V65-F69 PolarHBondContact O-N 2.92Å; V65-Y92 HydrophobicContact CG2-CD1 4.05Å; V65-F94 HydrophobicContact CG1-CB 4.4Å; V65-F94 HydrophobicContact CG1-CD1 3.68Å; V65-F94 HydrophobicContact CG1-CE1 4.08Å; V65-F94 HydrophobicContact CG1-CG 4.08Å; V65-F94 HydrophobicContact CG2-CB 4.25Å; V65-F94 HydrophobicContact CG2-CD1 4.04Å |
| 66 | E | 91.7 | Very high | 89.8 | Confident | 146 Ų | 146 | 67.4 Ų | 67.4 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.4 | -22.9 | 179.4 | -65 | -176.4 | 112.5 | 0 | 0 | 113.7 | Y59 Y64 | Y59-E66 HydrophobicContact CD1-CG 4.39Å; Y59-E66 HydrophobicContact CD2-CG 3.23Å; Y59-E66 WeakPolarHBondContact CD2-OE1 3.49Å; Y59-E66 HydrophobicContact CE2-CG 3.37Å; Y59-E66 HydrophobicContact CG-CG 3.78Å; Y64-E66 PolarHBondContact O-N 3.07Å |
| 67 | A | 91.1 | Very high | 90 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -82.5 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y64 V65 T81 | Y64-A67 PolarHBondContact O-N 3.27Å; Y64-A67 VanDerWaalsContact O-N 3.12Å; V65-A67 PolarHBondContact O-N 2.84Å; A67-T81 PolarHBondContact O-OG1 2.81Å |
| 68 | S | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -100 | -16.6 | -169.4 | -57.7 | 0 | 0 | 0 | 0 | 114.6 | Y64 V65 T81 E82 Y92 | Y64-S68 PolarHBondContact O-N 3.06Å; Y64-S68 PolarHBondContact O-OG 3.12Å; V65-S68 PolarHBondContact O-N 3.28Å; S68-T81 WeakPolarHBondContact CA-OG1 3.43Å; S68-T81 PolarHBondContact O-N 2.97Å; S68-T81 PolarHBondContact O-OG1 3.09Å; S68-T81 VanDerWaalsContact O-OG1 3.07Å; S68-E82 WeakPolarHBondContact CA-OE1 3.37Å; S68-E82 WeakPolarHBondContact CB-OE1 3.36Å; S68-E82 PolarHBondContact OG-OE1 3.32Å; S68-Y92 PolarHBondContact OG-OH 2.77Å |
| 69 | F | 95.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143 | -179.2 | -57.2 | -81.5 | 0 | 0 | 0 | 113 | V34 V65 V71 I78 R79 T80 T81 L84 Y92 I109 | V34-F69 HydrophobicContact CG2-CD1 3.91Å; V34-F69 HydrophobicContact CG2-CE1 3.7Å; V65-F69 HydrophobicContact CG1-CB 4.49Å; V65-F69 HydrophobicContact CG1-CD2 4.32Å; V65-F69 PolarHBondContact O-N 2.92Å; F69-V71 HydrophobicContact CB-CG2 4.48Å; F69-I78 HydrophobicContact CB-CG2 4.28Å; F69-I78 HydrophobicContact CD1-CG2 3.94Å; F69-I78 HydrophobicContact CG-CG2 4.32Å; F69-R79 CarbonylContact C-O 3.49Å; F69-R79 WeakPolarHBondContact CA-O 3.23Å; F69-T80 HydrophobicContact CD1-CG2 4.39Å; F69-T80 HydrophobicContact CE1-CG2 4.09Å; F69-T81 PolarHBondContact N-OG1 3.49Å; F69-L84 HydrophobicContact CE1-CD1 3.82Å; F69-L84 HydrophobicContact CZ-CD1 3.57Å; F69-L84 HydrophobicContact CZ-CD2 4.24Å; F69-Y92 HydrophobicContact CD2-CD1 4.23Å; F69-Y92 HydrophobicContact CD2-CG 4.43Å; F69-Y92 AromaticContact CE2-CD1 3.63Å; F69-Y92 HydrophobicContact CE2-CD1 3.63Å; F69-Y92 AromaticContact CE2-CD2 3.74Å; F69-Y92 HydrophobicContact CE2-CD2 3.74Å; F69-Y92 AromaticContact CE2-CE1 3.9Å; F69-Y92 HydrophobicContact CE2-CE1 3.9Å; F69-Y92 HydrophobicContact CE2-CE2 4.05Å; F69-Y92 AromaticContact CE2-CG 3.52Å; F69-Y92 HydrophobicContact CE2-CG 3.52Å; F69-Y92 HydrophobicContact CZ-CD2 4.12Å; F69-Y92 HydrophobicContact CZ-CE2 4.36Å; F69-Y92 HydrophobicContact CZ-CG 4.31Å; F69-I109 HydrophobicContact CD1-CD1 3.97Å; F69-I109 HydrophobicContact CD2-CD1 4.06Å; F69-I109 HydrophobicContact CE1-CD1 3.85Å; F69-I109 HydrophobicContact CE1-CG2 4.13Å; F69-I109 HydrophobicContact CE2-CD1 3.96Å; F69-I109 HydrophobicContact CG-CD1 4.07Å; F69-I109 HydrophobicContact CZ-CB 4.33Å; F69-I109 HydrophobicContact CZ-CD1 3.84Å; F69-I109 HydrophobicContact CZ-CG2 3.82Å |
| 70 | S | 94.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 126.3 | 161.5 | 60.5 | 0 | 0 | 0 | 0 | 108.3 | I78 R79 | S70-I78 WeakPolarHBondContact O-CA 3.46Å; S70-R79 PolarHBondContact N-O 3.14Å; S70-R79 PolarHBondContact O-N 2.77Å; S70-R79 PolarHBondContact OG-O 2.66Å |
| 71 | V | 92.9 | Very high | 91.1 | Very high | 23 Ų | 23 | 60 Ų | 60 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.7 | 177.5 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | F57 F69 E77 I78 F94 | F57-V71 HydrophobicContact CD1-CG1 4.31Å; F57-V71 HydrophobicContact CD2-CB 4.45Å; F57-V71 HydrophobicContact CE1-CB 4.45Å; F57-V71 HydrophobicContact CE1-CG1 3.57Å; F57-V71 HydrophobicContact CE2-CB 4Å; F57-V71 HydrophobicContact CE2-CG1 3.79Å; F57-V71 HydrophobicContact CZ-CB 4.02Å; F57-V71 HydrophobicContact CZ-CG1 3.27Å; F69-V71 HydrophobicContact CB-CG2 4.48Å; V71-E77 WeakPolarHBondContact CA-O 3.45Å; V71-I78 HydrophobicContact CG1-CG1 3.92Å; V71-I78 HydrophobicContact CG2-CG1 4.24Å; V71-I78 HydrophobicContact CG2-CG2 4.34Å; V71-F94 HydrophobicContact CG1-CE2 4.47Å; V71-F94 HydrophobicContact CG1-CZ 4.46Å; V71-F94 HydrophobicContact CG2-CE2 4.31Å; V71-F94 HydrophobicContact CG2-CZ 3.95Å |
| 72 | D | 91.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 57 Ų | 57 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | trans | -77.5 | 124.7 | -178.6 | -178.3 | -75.2 | 0 | 0 | 0 | 110.6 | R74 T75 G76 E77 | D72-R74 VanDerWaalsContact C-N 3.25Å; D72-R74 PolarHBondContact O-N 2.75Å; D72-R74 PolarHBondContact OD1-N 2.93Å; D72-T75 WeakPolarHBondContact CB-OG1 3.44Å; D72-T75 WeakPolarHBondContact OD1-CB 3.27Å; D72-T75 PolarHBondContact OD1-N 2.85Å; D72-T75 PolarHBondContact OD1-OG1 2.93Å; D72-G76 VanDerWaalsContact O-CA 3.28Å; D72-G76 WeakPolarHBondContact O-CA 3.32Å; D72-G76 PolarHBondContact O-N 2.88Å; D72-E77 HydrophobicContact CB-CB 4.48Å; D72-E77 PolarHBondContact N-O 2.8Å | ||
| 73 | D | 86.9 | Confident | 91.8 | Very high | 64 Ų | 64 | 51.9 Ų | 51.9 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7 | -170.6 | 75.3 | -31.2 | 0 | 0 | 0 | 114.2 | K54 Y55 F57 | K54-D73 CarbonylContact C-O 3.59Å; K54-D73 VanDerWaalsContact CA-O 3.24Å; K54-D73 WeakPolarHBondContact CA-O 3.45Å; Y55-D73 PolarHBondContact N-O 3.1Å; F57-D73 HydrophobicContact CE2-CB 4.05Å |
| 74 | R | 83.5 | Confident | 92.1 | Very high | 135 Ų | 135 | 51.4 Ų | 51.4 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | -37.1 | -179.1 | -67.8 | -176.3 | 180 | -155.1 | -2.6 | 113.7 | I53 D72 | I53-R74 PolarHBondContact N-O 2.79Å; I53-R74 CarbonylContact O-C 3.56Å; I53-R74 WeakPolarHBondContact O-CA 3.31Å; I53-R74 VanDerWaalsContact O-O 3.09Å; D72-R74 VanDerWaalsContact C-N 3.25Å; D72-R74 PolarHBondContact O-N 2.75Å; D72-R74 PolarHBondContact OD1-N 2.93Å |
| 75 | T | 84.9 | Confident | 92.3 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -24.1 | -179.5 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | V36 D72 E77 | V36-T75 WeakPolarHBondContact CG1-O 3.28Å; D72-T75 WeakPolarHBondContact CB-OG1 3.44Å; D72-T75 WeakPolarHBondContact OD1-CB 3.27Å; D72-T75 PolarHBondContact OD1-N 2.85Å; D72-T75 PolarHBondContact OD1-OG1 2.93Å; T75-E77 PolarHBondContact O-N 2.87Å; T75-E77 PolarHBondContact OG1-N 2.73Å |
| 76 | G | 87.1 | Confident | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | 71.3 | 11.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V36 L37 D72 | V36-G76 WeakPolarHBondContact CA-O 3.45Å; L37-G76 PolarHBondContact N-O 3.34Å; D72-G76 VanDerWaalsContact O-CA 3.28Å; D72-G76 WeakPolarHBondContact O-CA 3.32Å; D72-G76 PolarHBondContact O-N 2.88Å | ||
| 77 | E | 92.7 | Very high | 92.6 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 130.5 | 174.4 | -70.8 | -161.6 | 175.1 | 0 | 0 | 110.7 | L33 V36 V71 D72 T75 R79 | L33-E77 HydrophobicContact CD1-CB 4.33Å; L33-E77 HydrophobicContact CD1-CG 4.39Å; V36-E77 HydrophobicContact CG1-CG 4.34Å; V36-E77 HydrophobicContact CG2-CG 3.96Å; V71-E77 WeakPolarHBondContact CA-O 3.45Å; D72-E77 HydrophobicContact CB-CB 4.48Å; D72-E77 PolarHBondContact N-O 2.8Å; T75-E77 PolarHBondContact O-N 2.87Å; T75-E77 PolarHBondContact OG1-N 2.73Å; E77-R79 IonicContact OE2-CZ 3.43Å; E77-R79 IonicContact OE2-NE 2.79Å; E77-R79 PolarHBondContact OE2-NE 2.83Å; E77-R79 IonicContact OE2-NH2 2.84Å; E77-R79 PolarHBondContact OE2-NH2 2.83Å |
| 78 | I | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.5 | 174.7 | -56.8 | 164.7 | 0 | 0 | 0 | 107.8 | F22 V34 G35 L37 F69 S70 V71 F94 V107 I109 | F22-I78 HydrophobicContact CD2-CD1 3.9Å; F22-I78 HydrophobicContact CE2-CD1 3.68Å; F22-I78 HydrophobicContact CZ-CD1 4.35Å; V34-I78 HydrophobicContact CB-CB 4.14Å; V34-I78 HydrophobicContact CB-CG2 3.86Å; V34-I78 WeakPolarHBondContact CB-O 3.43Å; V34-I78 HydrophobicContact CG1-CG2 4.25Å; V34-I78 HydrophobicContact CG2-CG2 4.09Å; V34-I78 PolarHBondContact N-O 2.88Å; G35-I78 PolarHBondContact O-N 2.92Å; L37-I78 HydrophobicContact CD2-CD1 4.1Å; L37-I78 HydrophobicContact CG-CD1 4.28Å; F69-I78 HydrophobicContact CB-CG2 4.28Å; F69-I78 HydrophobicContact CD1-CG2 3.94Å; F69-I78 HydrophobicContact CG-CG2 4.32Å; S70-I78 WeakPolarHBondContact O-CA 3.46Å; V71-I78 HydrophobicContact CG1-CG1 3.92Å; V71-I78 HydrophobicContact CG2-CG1 4.24Å; V71-I78 HydrophobicContact CG2-CG2 4.34Å; I78-F94 HydrophobicContact CD1-CZ 4.04Å; I78-F94 HydrophobicContact CG1-CZ 4.46Å; I78-V107 HydrophobicContact CD1-CG1 4.01Å; I78-I109 HydrophobicContact CG2-CD1 3.81Å |
| 79 | R | 96.5 | Very high | 92.6 | Very high | 88 Ų | 88 | 54 Ų | 54 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.9 | 177.8 | -67.6 | 174.4 | 178.7 | -86.4 | -3.3 | 111.7 | G31 T32 L33 F69 S70 E77 | G31-R79 PolarHBondContact O-NH1 3.38Å; G31-R79 VanDerWaalsContact O-NH1 3.09Å; T32-R79 CarbonylContact O-C 3.51Å; T32-R79 WeakPolarHBondContact O-CA 3.48Å; L33-R79 HydrophobicContact CD1-CG 4.13Å; F69-R79 CarbonylContact C-O 3.49Å; F69-R79 WeakPolarHBondContact CA-O 3.23Å; S70-R79 PolarHBondContact N-O 3.14Å; S70-R79 PolarHBondContact O-N 2.77Å; S70-R79 PolarHBondContact OG-O 2.66Å; E77-R79 IonicContact OE2-CZ 3.43Å; E77-R79 IonicContact OE2-NE 2.79Å; E77-R79 PolarHBondContact OE2-NE 2.83Å; E77-R79 IonicContact OE2-NH2 2.84Å; E77-R79 PolarHBondContact OE2-NH2 2.83Å |
| 80 | T | 96.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 144.2 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | I24 P29 G31 T32 V34 F69 L84 | I24-T80 HydrophobicContact CD1-CG2 3.44Å; I24-T80 VanDerWaalsContact CD1-CG2 3.44Å; P29-T80 PolarHBondContact O-OG1 2.64Å; G31-T80 WeakPolarHBondContact CA-O 3.42Å; G31-T80 PolarHBondContact N-O 3Å; G31-T80 PolarHBondContact N-OG1 3.31Å; T32-T80 PolarHBondContact N-OG1 3.49Å; T32-T80 VanDerWaalsContact N-OG1 3.12Å; T32-T80 PolarHBondContact O-N 3.01Å; V34-T80 HydrophobicContact CG2-CG2 4Å; F69-T80 HydrophobicContact CD1-CG2 4.39Å; F69-T80 HydrophobicContact CE1-CG2 4.09Å; T80-L84 HydrophobicContact CG2-CD1 4.02Å; T80-L84 HydrophobicContact CG2-CG 4.23Å |
| 81 | T | 95.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -102.6 | -21.4 | 172 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | S30 A67 S68 F69 | S30-T81 WeakPolarHBondContact CB-O 3.21Å; S30-T81 VanDerWaalsContact OG-C 3.22Å; S30-T81 PolarHBondContact OG-O 3.38Å; A67-T81 PolarHBondContact O-OG1 2.81Å; S68-T81 WeakPolarHBondContact CA-OG1 3.43Å; S68-T81 PolarHBondContact O-N 2.97Å; S68-T81 PolarHBondContact O-OG1 3.09Å; S68-T81 VanDerWaalsContact O-OG1 3.07Å; F69-T81 PolarHBondContact N-OG1 3.49Å |
| 82 | E | 94.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 56 Ų | 56 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -137.5 | 168.4 | 179 | 64.4 | -171.2 | 163.3 | 0 | 0 | 110.4 | S68 L84 | S68-E82 WeakPolarHBondContact CA-OE1 3.37Å; S68-E82 WeakPolarHBondContact CB-OE1 3.36Å; S68-E82 PolarHBondContact OG-OE1 3.32Å; E82-L84 HydrophobicContact CG-CD2 4.19Å; E82-L84 PolarHBondContact O-N 2.84Å |
| 83 | A | 93.4 | Very high | 92.8 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | trans | -71.7 | 118.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E28 | E28-A83 WeakPolarHBondContact O-CA 3.42Š| ||
| 84 | L | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -74.1 | 144.4 | 179.2 | -53.2 | 178.9 | 0 | 0 | 0 | 109.3 | I24 E26 N27 F69 T80 E82 V111 | I24-L84 HydrophobicContact CG2-CD1 3.76Å; E26-L84 WeakPolarHBondContact CB-O 3.4Å; N27-L84 PolarHBondContact N-O 2.82Å; F69-L84 HydrophobicContact CE1-CD1 3.82Å; F69-L84 HydrophobicContact CZ-CD1 3.57Å; F69-L84 HydrophobicContact CZ-CD2 4.24Å; T80-L84 HydrophobicContact CG2-CD1 4.02Å; T80-L84 HydrophobicContact CG2-CG 4.23Å; E82-L84 HydrophobicContact CG-CD2 4.19Å; E82-L84 PolarHBondContact O-N 2.84Å; L84-V111 HydrophobicContact CB-CG1 4.25Å; L84-V111 HydrophobicContact CB-CG2 4.47Å; L84-V111 HydrophobicContact CD1-CG2 3.87Å | ||
| 85 | D | 94.5 | Very high | 93.6 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | trans | -121.4 | 113.6 | 176.5 | 161.3 | -8.1 | 0 | 0 | 0 | 105.9 | E87 R88 K89 | D85-E87 PolarHBondContact OD1-N 2.9Å; D85-E87 VanDerWaalsContact OD1-N 3.12Å; D85-R88 HydrophobicContact CB-CB 4.19Å; D85-R88 PolarHBondContact O-N 2.86Å; D85-R88 PolarHBondContact OD1-N 3.05Å; D85-R88 WeakPolarHBondContact OD2-CB 3.24Å; D85-K89 PolarHBondContact O-N 2.76Å | ||
| 86 | R | 95.4 | Very high | 93.8 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.2 | -172.6 | -170.9 | -153.6 | 63.7 | 85 | 2 | 110.9 | E26 R88 K89 A90 V111 D113 P149 D150 | E26-R86 HydrophobicContact CB-CB 4.22Å; E26-R86 VanDerWaalsContact OE2-CB 3.29Å; E26-R86 WeakPolarHBondContact OE2-CB 3.42Å; E26-R86 PolarHBondContact OE2-N 3.43Å; R86-R88 PolarHBondContact O-N 3.1Å; R86-K89 CarbonylContact O-C 3.33Å; R86-K89 VanDerWaalsContact O-C 3.28Å; R86-K89 PolarHBondContact O-N 2.68Å; R86-A90 HydrophobicContact CG-CB 3.74Å; R86-A90 PolarHBondContact O-N 3.43Å; R86-V111 HydrophobicContact CB-CB 4.46Å; R86-V111 HydrophobicContact CB-CG1 3.97Å; R86-V111 HydrophobicContact CG-CB 4.24Å; R86-V111 HydrophobicContact CG-CG1 4.25Å; R86-D113 WeakPolarHBondContact CD-OD1 3.48Å; R86-D113 IonicContact CZ-OD1 3.88Å; R86-D113 VanDerWaalsContact NE-CG 3.26Å; R86-D113 IonicContact NE-OD1 2.95Å; R86-D113 PolarHBondContact NE-OD1 3.47Å; R86-D113 IonicContact NH2-OD1 3.75Å; R86-D113 PolarHBondContact NH2-OD1 3.42Å; R86-P149 PolarHBondContact NH2-O 3.05Å; R86-D150 VanDerWaalsContact NH2-CA 3.3Å |
| 87 | E | 94.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.9 | 178.5 | -70.2 | 59.9 | -114.9 | 0 | 0 | 110.7 | D85 P149 | D85-E87 PolarHBondContact OD1-N 2.9Å; D85-E87 VanDerWaalsContact OD1-N 3.12Å; E87-P149 HydrophobicContact CB-CB 4.42Å; E87-P149 HydrophobicContact CG-CB 3.68Å; E87-P149 HydrophobicContact CG-CG 3.96Å |
| 88 | R | 92.3 | Very high | 93.3 | Very high | 158 Ų | 158 | 44 Ų | 44 | 60% | 0.596 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -48.5 | 169.8 | -178.5 | 177 | 162.8 | -154.5 | -10.3 | 112.9 | D85 R86 | D85-R88 HydrophobicContact CB-CB 4.19Å; D85-R88 PolarHBondContact O-N 2.86Å; D85-R88 PolarHBondContact OD1-N 3.05Å; D85-R88 WeakPolarHBondContact OD2-CB 3.24Å; R86-R88 PolarHBondContact O-N 3.1Å |
| 89 | K | 92.5 | Very high | 92.4 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 24% | 0.235 | 24% | 0.244 | C | C | . | . | trans | -155.1 | 106 | 178.5 | -167.2 | 154.5 | -180 | 123.4 | 0 | 113.9 | E62 S63 Y64 D85 R86 N91 Y92 | E62-K89 PolarHBondContact O-NZ 3.24Å; S63-K89 VanDerWaalsContact O-CE 3.29Å; S63-K89 WeakPolarHBondContact O-CE 3.34Å; Y64-K89 HydrophobicContact CD2-CD 3.58Å; Y64-K89 HydrophobicContact CE2-CD 4.32Å; Y64-K89 HydrophobicContact CG-CD 4.06Å; D85-K89 PolarHBondContact O-N 2.76Å; R86-K89 CarbonylContact O-C 3.33Å; R86-K89 VanDerWaalsContact O-C 3.28Å; R86-K89 PolarHBondContact O-N 2.68Å; K89-N91 WeakPolarHBondContact CE-O 3.32Å; K89-Y92 HydrophobicContact CB-CE2 4.34Å; K89-Y92 HydrophobicContact CD-CE1 4.12Å; K89-Y92 HydrophobicContact CG-CE1 4.34Å; K89-Y92 HydrophobicContact CG-CE2 4.1Å; K89-Y92 WeakPolarHBondContact O-CE2 3.46Å | ||
| 90 | A | 94.1 | Very high | 91 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | trans | -80.1 | -23.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R86 V111 | R86-A90 HydrophobicContact CG-CB 3.74Å; R86-A90 PolarHBondContact O-N 3.43Å; A90-V111 PolarHBondContact O-N 3.12Å | ||
| 91 | N | 94.9 | Very high | 89.1 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.9 | -171.8 | -71.7 | -81.5 | 0 | 0 | 0 | 112.2 | K89 | K89-N91 WeakPolarHBondContact CE-O 3.32Å |
| 92 | Y | 95.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.6 | 178.5 | -65.3 | -100.8 | 0 | 0 | 0 | 109.6 | S63 V65 S68 F69 K89 I108 I109 V111 | S63-Y92 VanDerWaalsContact O-CD1 3.24Å; S63-Y92 WeakPolarHBondContact O-CD1 3.41Å; V65-Y92 HydrophobicContact CG2-CD1 4.05Å; S68-Y92 PolarHBondContact OG-OH 2.77Å; F69-Y92 HydrophobicContact CD2-CD1 4.23Å; F69-Y92 HydrophobicContact CD2-CG 4.43Å; F69-Y92 AromaticContact CE2-CD1 3.63Å; F69-Y92 HydrophobicContact CE2-CD1 3.63Å; F69-Y92 AromaticContact CE2-CD2 3.74Å; F69-Y92 HydrophobicContact CE2-CD2 3.74Å; F69-Y92 AromaticContact CE2-CE1 3.9Å; F69-Y92 HydrophobicContact CE2-CE1 3.9Å; F69-Y92 HydrophobicContact CE2-CE2 4.05Å; F69-Y92 AromaticContact CE2-CG 3.52Å; F69-Y92 HydrophobicContact CE2-CG 3.52Å; F69-Y92 HydrophobicContact CZ-CD2 4.12Å; F69-Y92 HydrophobicContact CZ-CE2 4.36Å; F69-Y92 HydrophobicContact CZ-CG 4.31Å; K89-Y92 HydrophobicContact CB-CE2 4.34Å; K89-Y92 HydrophobicContact CD-CE1 4.12Å; K89-Y92 HydrophobicContact CG-CE1 4.34Å; K89-Y92 HydrophobicContact CG-CE2 4.1Å; K89-Y92 WeakPolarHBondContact O-CE2 3.46Å; Y92-I108 CarbonylContact O-C 3.6Å; Y92-I108 WeakPolarHBondContact O-CA 3.3Å; Y92-I109 PolarHBondContact N-O 2.77Å; Y92-I109 PolarHBondContact O-N 3.49Å; Y92-V111 HydrophobicContact CD2-CG2 4.04Å; Y92-V111 HydrophobicContact CE2-CG2 3.75Å |
| 93 | V | 94.5 | Very high | 86.5 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.9 | -179.1 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | P60 R106 V107 I108 | P60-V93 VanDerWaalsContact CD-O 3.29Å; P60-V93 WeakPolarHBondContact CD-O 3.36Å; V93-R106 HydrophobicContact CG1-CG 4.22Å; V93-V107 VanDerWaalsContact CA-O 3.3Å; V93-V107 WeakPolarHBondContact CA-O 3.29Å; V93-I108 HydrophobicContact CG2-CG1 4.34Å; V93-I108 HydrophobicContact CG2-CG2 4.36Å |
| 94 | F | 94.5 | Very high | 85.9 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 166.9 | 170.6 | 66.8 | -81.3 | 0 | 0 | 0 | 111 | F57 Y59 V65 V71 I78 A96 V107 I109 | F57-F94 HydrophobicContact CD1-CD2 4.17Å; F57-F94 AromaticContact CD1-CE2 3.84Å; F57-F94 HydrophobicContact CD1-CE2 3.84Å; F57-F94 HydrophobicContact CE1-CE2 4.26Å; Y59-F94 HydrophobicContact CD1-CB 3.5Å; Y59-F94 VanDerWaalsContact CD1-CB 3.5Å; Y59-F94 HydrophobicContact CD1-CD2 4.23Å; Y59-F94 AromaticContact CD1-CG 3.97Å; Y59-F94 HydrophobicContact CD1-CG 3.97Å; Y59-F94 HydrophobicContact CE1-CB 3.91Å; Y59-F94 AromaticContact CE1-CD2 3.75Å; Y59-F94 HydrophobicContact CE1-CD2 3.75Å; Y59-F94 HydrophobicContact CE1-CE2 4.38Å; Y59-F94 AromaticContact CE1-CG 3.84Å; Y59-F94 HydrophobicContact CE1-CG 3.84Å; V65-F94 HydrophobicContact CG1-CB 4.4Å; V65-F94 HydrophobicContact CG1-CD1 3.68Å; V65-F94 HydrophobicContact CG1-CE1 4.08Å; V65-F94 HydrophobicContact CG1-CG 4.08Å; V65-F94 HydrophobicContact CG2-CB 4.25Å; V65-F94 HydrophobicContact CG2-CD1 4.04Å; V71-F94 HydrophobicContact CG1-CE2 4.47Å; V71-F94 HydrophobicContact CG1-CZ 4.46Å; V71-F94 HydrophobicContact CG2-CE2 4.31Å; V71-F94 HydrophobicContact CG2-CZ 3.95Å; I78-F94 HydrophobicContact CD1-CZ 4.04Å; I78-F94 HydrophobicContact CG1-CZ 4.46Å; F94-A96 HydrophobicContact CE2-CB 4.46Å; F94-V107 HydrophobicContact CD1-CB 3.89Å; F94-V107 HydrophobicContact CD1-CG1 4.14Å; F94-V107 HydrophobicContact CD2-CB 4.23Å; F94-V107 HydrophobicContact CD2-CG2 4.22Å; F94-V107 HydrophobicContact CE1-CB 3.6Å; F94-V107 HydrophobicContact CE1-CG1 3.41Å; F94-V107 VanDerWaalsContact CE1-CG1 3.41Å; F94-V107 HydrophobicContact CE1-CG2 4.29Å; F94-V107 HydrophobicContact CE2-CB 3.97Å; F94-V107 HydrophobicContact CE2-CG1 4.34Å; F94-V107 HydrophobicContact CE2-CG2 3.77Å; F94-V107 HydrophobicContact CG-CB 4.2Å; F94-V107 HydrophobicContact CZ-CB 3.65Å; F94-V107 HydrophobicContact CZ-CG1 3.54Å; F94-V107 HydrophobicContact CZ-CG2 3.82Å; F94-V107 PolarHBondContact N-O 2.83Å; F94-V107 PolarHBondContact O-N 3.06Å; F94-I109 HydrophobicContact CE1-CD1 4.02Å |
| 95 | L | 91.9 | Very high | 85.6 | Confident | 45 Ų | 45 | 52.2 Ų | 52.2 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.4 | 177.7 | -168.2 | 77.8 | 0 | 0 | 0 | 109.6 | F57 I58 I97 I105 R106 | F57-L95 CarbonylContact C-O 3.57Å; F57-L95 WeakPolarHBondContact CA-O 3.15Å; I58-L95 HydrophobicContact CB-CB 4.24Å; I58-L95 HydrophobicContact CD1-CD2 4.29Å; I58-L95 PolarHBondContact N-O 3.19Å; I58-L95 PolarHBondContact O-N 2.86Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 3.91Å; L95-I97 HydrophobicContact CG-CG1 4.18Å; L95-I105 CarbonylContact C-O 3.56Å; L95-I105 WeakPolarHBondContact CA-O 3.39Å; L95-R106 HydrophobicContact CD1-CB 4.33Å |
| 96 | A | 89.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L37 Y55 F57 F94 I105 V107 | L37-A96 HydrophobicContact CD1-CB 3.66Å; Y55-A96 HydrophobicContact CD1-CB 4.24Å; F57-A96 HydrophobicContact CD1-CB 3.69Å; F57-A96 HydrophobicContact CE1-CB 3.7Å; F94-A96 HydrophobicContact CE2-CB 4.46Å; A96-I105 HydrophobicContact CB-CB 4.3Å; A96-I105 PolarHBondContact N-O 3.47Å; A96-I105 WeakPolarHBondContact O-CB 3.29Å; A96-I105 PolarHBondContact O-N 2.9Å; A96-V107 HydrophobicContact CB-CG2 4.15Å |
| 97 | I | 86.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 113.7 | -178 | -56.3 | 176.7 | 0 | 0 | 0 | 108.6 | Y55 F56 I58 L95 | Y55-I97 WeakPolarHBondContact CA-O 3.43Å; F56-I97 PolarHBondContact N-O 2.85Å; F56-I97 PolarHBondContact O-N 2.89Å; I58-I97 HydrophobicContact CD1-CD1 3.68Å; I58-I97 HydrophobicContact CG1-CD1 4.34Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 3.91Å; L95-I97 HydrophobicContact CG-CG1 4.18Å |
| 98 | P | 82.6 | Confident | 85.4 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.5 | 173.9 | 27.2 | -31.4 | 0 | 0 | 0 | 110.5 | I53 Y55 E100 A102 | I53-P98 HydrophobicContact CG2-CB 3.97Å; Y55-P98 HydrophobicContact CD1-CB 4.21Å; Y55-P98 HydrophobicContact CE1-CB 4.06Å; P98-E100 VanDerWaalsContact C-N 3.29Å; P98-E100 PolarHBondContact O-N 3.06Å; P98-A102 HydrophobicContact CG-CB 3.76Å |
| 99 | V | 76.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -32.6 | -175.6 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | K54 F56 | K54-V99 HydrophobicContact CB-CB 4.37Å; K54-V99 HydrophobicContact CB-CG2 3.93Å; K54-V99 HydrophobicContact CD-CG2 4.33Å; K54-V99 HydrophobicContact CG-CG2 3.99Å; K54-V99 VanDerWaalsContact O-CG2 3.31Å; K54-V99 WeakPolarHBondContact O-CG2 3.31Å; K54-V99 PolarHBondContact O-N 3.17Å; F56-V99 HydrophobicContact CD2-CG2 3.47Å; F56-V99 VanDerWaalsContact CD2-CG2 3.47Å; F56-V99 HydrophobicContact CE2-CG2 3.48Å; F56-V99 VanDerWaalsContact CE2-CG2 3.48Å |
| 100 | E | 68.1 | Low | 85.8 | Confident | 168 Ų | 168 | 43.1 Ų | 43.1 | 79% | 0.785 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 85.1 | -178.5 | -66.2 | -173.6 | 170 | 0 | 0 | 111 | P98 A102 | P98-E100 VanDerWaalsContact C-N 3.29Å; P98-E100 PolarHBondContact O-N 3.06Å; E100-A102 PolarHBondContact O-N 3.22Å |
| 101 | G | 55.4 | Low | 85.9 | Confident | 85 Ų | 85 | 42 Ų | 42 | 88% | 0.876 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 23.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 102 | A | 61.1 | Low | 86 | Confident | 33 Ų | 33 | 41 Ų | 41 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | trans | -133.2 | 161.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y41 P98 E100 | Y41-A102 HydrophobicContact CD2-CB 4.43Å; Y41-A102 HydrophobicContact CE2-CB 4.09Å; P98-A102 HydrophobicContact CG-CB 3.76Å; E100-A102 PolarHBondContact O-N 3.22Å | ||
| 103 | E | 73.2 | Confident | 86 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -51.6 | 145.4 | 175.2 | -73.4 | 173.4 | 138.7 | 0 | 0 | 111.9 | F15 | F15-E103 VanDerWaalsContact CD1-OE1 3.3Å; F15-E103 WeakPolarHBondContact CD1-OE1 3.35Å | ||
| 104 | G | 82.4 | Confident | 86 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | trans | -63 | 139.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 105 | I | 88.3 | Confident | 86 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114 | 179.5 | -49.1 | 178.2 | 0 | 0 | 0 | 108.7 | L18 Q20 T38 Y55 L95 A96 V107 | L18-I105 HydrophobicContact CD2-CD1 4.4Å; L18-I105 HydrophobicContact CD2-CG1 4.09Å; L18-I105 CarbonylContact O-C 3.44Å; L18-I105 VanDerWaalsContact O-CA 3.23Å; L18-I105 WeakPolarHBondContact O-CA 3.46Å; Q20-I105 HydrophobicContact CB-CG2 4.07Å; Q20-I105 HydrophobicContact CG-CG2 4.06Å; T38-I105 WeakPolarHBondContact O-CD1 3.24Å; Y55-I105 HydrophobicContact CE1-CD1 3.99Å; L95-I105 CarbonylContact C-O 3.56Å; L95-I105 WeakPolarHBondContact CA-O 3.39Å; A96-I105 HydrophobicContact CB-CB 4.3Å; A96-I105 PolarHBondContact N-O 3.47Å; A96-I105 WeakPolarHBondContact O-CB 3.29Å; A96-I105 PolarHBondContact O-N 2.9Å; I105-V107 HydrophobicContact CG2-CG2 4.18Å; I105-V107 PolarHBondContact O-N 3.04Å |
| 106 | R | 91.6 | Very high | 86.1 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.5 | 171.1 | -169.8 | 177.8 | -169.2 | -88.7 | 3.5 | 109 | E17 L18 V19 Q20 V93 L95 | E17-R106 HydrophobicContact CG-CB 4.19Å; E17-R106 WeakPolarHBondContact OE1-CB 3.37Å; L18-R106 PolarHBondContact O-N 3.12Å; V19-R106 WeakPolarHBondContact CA-O 3.3Å; V19-R106 HydrophobicContact CG2-CB 4.31Å; Q20-R106 PolarHBondContact N-O 2.75Å; V93-R106 HydrophobicContact CG1-CG 4.22Å; L95-R106 HydrophobicContact CD1-CB 4.33Å |
| 107 | V | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.3 | -179.6 | -170.6 | 0 | 0 | 0 | 0 | 109 | Q20 F22 L37 I78 V93 F94 A96 I105 I109 | Q20-V107 WeakPolarHBondContact O-CA 3.38Å; F22-V107 HydrophobicContact CD2-CG1 3.85Å; F22-V107 HydrophobicContact CE2-CG1 3.86Å; L37-V107 HydrophobicContact CD2-CG1 4.28Å; L37-V107 HydrophobicContact CD2-CG2 3.47Å; L37-V107 VanDerWaalsContact CD2-CG2 3.47Å; I78-V107 HydrophobicContact CD1-CG1 4.01Å; V93-V107 VanDerWaalsContact CA-O 3.3Å; V93-V107 WeakPolarHBondContact CA-O 3.29Å; F94-V107 HydrophobicContact CD1-CB 3.89Å; F94-V107 HydrophobicContact CD1-CG1 4.14Å; F94-V107 HydrophobicContact CD2-CB 4.23Å; F94-V107 HydrophobicContact CD2-CG2 4.22Å; F94-V107 HydrophobicContact CE1-CB 3.6Å; F94-V107 HydrophobicContact CE1-CG1 3.41Å; F94-V107 VanDerWaalsContact CE1-CG1 3.41Å; F94-V107 HydrophobicContact CE1-CG2 4.29Å; F94-V107 HydrophobicContact CE2-CB 3.97Å; F94-V107 HydrophobicContact CE2-CG1 4.34Å; F94-V107 HydrophobicContact CE2-CG2 3.77Å; F94-V107 HydrophobicContact CG-CB 4.2Å; F94-V107 HydrophobicContact CZ-CB 3.65Å; F94-V107 HydrophobicContact CZ-CG1 3.54Å; F94-V107 HydrophobicContact CZ-CG2 3.82Å; F94-V107 PolarHBondContact N-O 2.83Å; F94-V107 PolarHBondContact O-N 3.06Å; A96-V107 HydrophobicContact CB-CG2 4.15Å; I105-V107 HydrophobicContact CG2-CG2 4.18Å; I105-V107 PolarHBondContact O-N 3.04Å; V107-I109 HydrophobicContact CG1-CG1 4.32Å |
| 108 | I | 95.1 | Very high | 86.8 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.046 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.3 | 176 | -53.2 | 171 | 0 | 0 | 0 | 107 | V19 Q20 R21 F22 Y92 V93 | V19-I108 HydrophobicContact CG1-CD1 3.59Å; V19-I108 HydrophobicContact CG1-CG1 4.22Å; Q20-I108 PolarHBondContact O-N 2.76Å; R21-I108 CarbonylContact C-O 3.47Å; R21-I108 VanDerWaalsContact CA-O 3.32Å; R21-I108 WeakPolarHBondContact CA-O 3.49Å; R21-I108 HydrophobicContact CG-CB 4.26Å; R21-I108 HydrophobicContact CG-CD1 4.27Å; F22-I108 PolarHBondContact N-O 3.05Å; Y92-I108 CarbonylContact O-C 3.6Å; Y92-I108 WeakPolarHBondContact O-CA 3.3Å; V93-I108 HydrophobicContact CG2-CG1 4.34Å; V93-I108 HydrophobicContact CG2-CG2 4.36Å |
| 109 | I | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.9 | 171.9 | -52.3 | 169.5 | 0 | 0 | 0 | 107 | F22 I24 V34 F69 I78 Y92 F94 V107 | F22-I109 HydrophobicContact CB-CG1 4.37Å; F22-I109 WeakPolarHBondContact O-CA 3.21Å; I24-I109 HydrophobicContact CG2-CG2 4.04Å; V34-I109 HydrophobicContact CG1-CD1 4.26Å; V34-I109 HydrophobicContact CG1-CG1 4.31Å; V34-I109 HydrophobicContact CG1-CG2 3.82Å; F69-I109 HydrophobicContact CD1-CD1 3.97Å; F69-I109 HydrophobicContact CD2-CD1 4.06Å; F69-I109 HydrophobicContact CE1-CD1 3.85Å; F69-I109 HydrophobicContact CE1-CG2 4.13Å; F69-I109 HydrophobicContact CE2-CD1 3.96Å; F69-I109 HydrophobicContact CG-CD1 4.07Å; F69-I109 HydrophobicContact CZ-CB 4.33Å; F69-I109 HydrophobicContact CZ-CD1 3.84Å; F69-I109 HydrophobicContact CZ-CG2 3.82Å; I78-I109 HydrophobicContact CG2-CD1 3.81Å; Y92-I109 PolarHBondContact N-O 2.77Å; Y92-I109 PolarHBondContact O-N 3.49Å; F94-I109 HydrophobicContact CE1-CD1 4.02Å; V107-I109 HydrophobicContact CG1-CG1 4.32Å |
| 110 | E | 96.5 | Very high | 88.5 | Confident | 80 Ų | 80 | 48.7 Ų | 48.7 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.5 | 173.3 | 176.5 | 178.3 | -154.4 | 0 | 0 | 108.6 | F22 Q23 I24 | F22-E110 PolarHBondContact O-N 3Å; Q23-E110 VanDerWaalsContact CA-O 3.31Å; Q23-E110 WeakPolarHBondContact CA-O 3.48Å; Q23-E110 HydrophobicContact CG-CB 4.14Å; Q23-E110 PolarHBondContact NE2-OE2 3.28Å; I24-E110 PolarHBondContact N-O 3.08Å; I24-E110 VanDerWaalsContact N-O 3.1Å |
| 111 | V | 96.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117 | 173.4 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | I24 E26 L84 R86 A90 Y92 | I24-V111 CarbonylContact O-C 3.59Å; I24-V111 VanDerWaalsContact O-CA 3.27Å; I24-V111 WeakPolarHBondContact O-CA 3.43Å; E26-V111 HydrophobicContact CB-CG1 3.62Å; L84-V111 HydrophobicContact CB-CG1 4.25Å; L84-V111 HydrophobicContact CB-CG2 4.47Å; L84-V111 HydrophobicContact CD1-CG2 3.87Å; R86-V111 HydrophobicContact CB-CB 4.46Å; R86-V111 HydrophobicContact CB-CG1 3.97Å; R86-V111 HydrophobicContact CG-CB 4.24Å; R86-V111 HydrophobicContact CG-CG1 4.25Å; A90-V111 PolarHBondContact O-N 3.12Å; Y92-V111 HydrophobicContact CD2-CG2 4.04Å; Y92-V111 HydrophobicContact CE2-CG2 3.75Å |
| 112 | L | 96.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.6 | 177.1 | -57.6 | 177 | 0 | 0 | 0 | 109.8 | Q23 I24 A25 E26 | Q23-L112 HydrophobicContact CB-CD1 4.07Å; Q23-L112 HydrophobicContact CB-CD2 4.29Å; Q23-L112 HydrophobicContact CB-CG 4.09Å; Q23-L112 HydrophobicContact CG-CD2 4.12Å; Q23-L112 HydrophobicContact CG-CG 4.46Å; I24-L112 PolarHBondContact O-N 2.9Å; A25-L112 WeakPolarHBondContact CA-O 3.5Å; E26-L112 PolarHBondContact N-O 2.92Å |
| 113 | D | 95.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 46 Ų | 46 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 147.6 | -177.5 | -165.9 | 39.6 | 0 | 0 | 0 | 113.7 | E26 R86 A151 Y154 | E26-D113 VanDerWaalsContact OE1-CA 3.29Å; E26-D113 WeakPolarHBondContact OE1-CA 3.35Å; R86-D113 WeakPolarHBondContact CD-OD1 3.48Å; R86-D113 IonicContact CZ-OD1 3.88Å; R86-D113 VanDerWaalsContact NE-CG 3.26Å; R86-D113 IonicContact NE-OD1 2.95Å; R86-D113 PolarHBondContact NE-OD1 3.47Å; R86-D113 IonicContact NH2-OD1 3.75Å; R86-D113 PolarHBondContact NH2-OD1 3.42Å; D113-A151 HydrophobicContact CB-CB 4.17Å; D113-A151 WeakPolarHBondContact OD2-CA 3.29Å; D113-A151 WeakPolarHBondContact OD2-CB 3.29Å; D113-A151 PolarHBondContact OD2-N 2.96Å; D113-Y154 HydrophobicContact CB-CD2 4.36Å; D113-Y154 WeakPolarHBondContact OD2-CD2 3.44Å |
| 114 | R | 94.7 | Very high | 94.5 | Very high | 117 Ų | 117 | 48.4 Ų | 48.4 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -129.1 | 146.3 | 168.7 | -71.2 | -168.6 | 179.6 | -97.2 | 5.6 | 109.3 | E26 E28 D116 | E26-R114 HydrophobicContact CG-CB 3.94Å; E26-R114 HydrophobicContact CG-CG 4.04Å; E26-R114 PolarHBondContact O-NE 3.4Å; E26-R114 PolarHBondContact OE1-N 3.01Å; E28-R114 IonicContact OE1-CZ 3.54Å; E28-R114 IonicContact OE1-NH2 3.37Å; E28-R114 PolarHBondContact OE1-NH2 3.25Å; R114-D116 PolarHBondContact O-N 3.14Å | ||
| 115 | N | 94.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -74.4 | 65.1 | 178.7 | -162 | 104.3 | 0 | 0 | 0 | 111.9 | D150 Y154 D207 G209 L213 | N115-D150 WeakPolarHBondContact CA-OD2 3.1Å; N115-Y154 HydrophobicContact CB-CD1 3.59Å; N115-Y154 HydrophobicContact CB-CD2 4Å; N115-Y154 HydrophobicContact CB-CE1 4.01Å; N115-Y154 HydrophobicContact CB-CE2 4.4Å; N115-Y154 HydrophobicContact CB-CG 3.59Å; N115-Y154 VanDerWaalsContact OD1-CB 3.28Å; N115-Y154 WeakPolarHBondContact OD1-CB 3.38Å; N115-Y154 WeakPolarHBondContact OD1-CD1 3.28Å; N115-D207 PolarHBondContact ND2-OD2 3.29Å; N115-D207 VanDerWaalsContact OD1-CG 3.31Å; N115-D207 PolarHBondContact OD1-OD2 3.11Å; N115-G209 WeakPolarHBondContact OD1-CA 3.41Å; N115-G209 PolarHBondContact OD1-N 3.14Å; N115-L213 VanDerWaalsContact ND2-CD1 3.32Å; N115-L213 WeakPolarHBondContact ND2-CD1 3.45Å; N115-L213 WeakPolarHBondContact ND2-CG 3.42Å |
| 116 | D | 94.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | trans | -103.8 | -10.2 | -177.9 | 73.2 | -18.1 | 0 | 0 | 0 | 113.7 | N27 R114 D150 | N27-D116 PolarHBondContact ND2-OD2 3.5Å; R114-D116 PolarHBondContact O-N 3.14Å; D116-D150 PolarHBondContact N-OD2 2.91Å | ||
| 117 | N | 95.3 | Very high | 95.8 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -101.1 | 156.1 | 163.7 | -58.3 | -83.1 | 0 | 0 | 0 | 110.7 | P149 D150 L213 | N117-P149 HydrophobicContact CB-CG 3.62Å; N117-D150 VanDerWaalsContact CB-OD1 3.25Å; N117-D150 WeakPolarHBondContact CB-OD1 3.08Å; N117-D150 PolarHBondContact N-OD2 2.88Å; N117-D150 PolarHBondContact ND2-OD1 3.15Å; N117-L213 WeakPolarHBondContact O-CD1 3.42Å |
| 118 | A | 95.6 | Very high | 96 | Very high | 43 Ų | 43 | 53.9 Ų | 53.9 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | trans | -113.3 | 151.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | A120 L213 | A118-A120 PolarHBondContact O-N 3.26Å; A118-L213 HydrophobicContact CB-CB 3.63Å; A118-L213 HydrophobicContact CB-CD1 4Å; A118-L213 HydrophobicContact CB-CG 4.43Å | ||
| 119 | P | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | trans | -53.5 | 134.6 | 172.5 | -27.1 | 34.6 | 0 | 0 | 0 | 109.9 | A146 D148 V156 A205 D207 D215 | P119-A146 HydrophobicContact CB-CB 4.28Å; P119-D148 WeakPolarHBondContact CD-OD2 2.98Å; P119-D148 WeakPolarHBondContact CG-OD2 3.18Å; P119-V156 HydrophobicContact CB-CG2 3.97Å; P119-V156 HydrophobicContact CG-CG2 4.33Å; P119-A205 HydrophobicContact CB-CB 3.88Å; P119-D207 HydrophobicContact CG-CB 3.97Å; P119-D215 WeakPolarHBondContact O-CB 3.35Å | ||
| 120 | A | 97.3 | Very high | 96 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -129 | 125.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A118 A146 E147 | A118-A120 PolarHBondContact O-N 3.26Å; A120-A146 WeakPolarHBondContact O-CA 3.5Å; A120-E147 PolarHBondContact N-O 2.78Å; A120-E147 PolarHBondContact O-N 2.85Å |
| 121 | F | 97.3 | Very high | 96 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 149.8 | 167.9 | -71.6 | -78 | 0 | 0 | 0 | 110.9 | K123 A125 P144 A146 Y159 L183 A205 D215 L217 | F121-K123 PolarHBondContact O-N 2.73Å; F121-A125 HydrophobicContact CB-CB 4.04Å; F121-P144 WeakPolarHBondContact CD1-O 3.34Å; F121-P144 WeakPolarHBondContact CE1-O 3.38Å; F121-A146 HydrophobicContact CD1-CB 3.88Å; F121-A146 HydrophobicContact CD2-CB 4.3Å; F121-A146 HydrophobicContact CE1-CB 3.86Å; F121-A146 HydrophobicContact CE2-CB 4.27Å; F121-A146 HydrophobicContact CG-CB 4.13Å; F121-A146 HydrophobicContact CZ-CB 4.07Å; F121-Y159 HydrophobicContact CE1-CD1 4.36Å; F121-Y159 AromaticContact CE1-CE1 3.78Å; F121-Y159 HydrophobicContact CE1-CE1 3.78Å; F121-Y159 AromaticContact CZ-CD1 3.9Å; F121-Y159 HydrophobicContact CZ-CD1 3.9Å; F121-Y159 AromaticContact CZ-CE1 3.68Å; F121-Y159 HydrophobicContact CZ-CE1 3.68Å; F121-L183 HydrophobicContact CE1-CD2 4.29Å; F121-A205 HydrophobicContact CE2-CB 3.68Å; F121-A205 HydrophobicContact CZ-CB 3.72Å; F121-D215 HydrophobicContact CD2-CB 4.24Å; F121-D215 PolarHBondContact N-OD2 3.28Å; F121-L217 HydrophobicContact CD1-CB 3.99Å; F121-L217 HydrophobicContact CD1-CD2 4.05Å; F121-L217 HydrophobicContact CD1-CG 4.41Å; F121-L217 HydrophobicContact CD2-CB 3.75Å; F121-L217 HydrophobicContact CE1-CB 3.89Å; F121-L217 HydrophobicContact CE1-CD2 3.88Å; F121-L217 HydrophobicContact CE1-CG 4.46Å; F121-L217 HydrophobicContact CE2-CB 3.64Å; F121-L217 HydrophobicContact CG-CB 3.91Å; F121-L217 HydrophobicContact CG-CD1 4.49Å; F121-L217 HydrophobicContact CZ-CB 3.7Å; F121-L217 HydrophobicContact CZ-CD2 4.41Å |
| 122 | P | 96.1 | Very high | 96 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 49% | 0.494 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 134.9 | 170.8 | -26.5 | 34.7 | 0 | 0 | 0 | 111.4 | P124 A125 P144 S145 | P122-P124 CarbonylContact O-C 3.52Å; P122-A125 PolarHBondContact O-N 2.72Å; P122-P144 HydrophobicContact CG-CB 4.21Å; P122-S145 WeakPolarHBondContact CD-O 3.1Å |
| 123 | K | 94.7 | Very high | 95.9 | Very high | 150 Ų | 150 | 57.9 Ų | 57.9 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -89.8 | 137.1 | -179 | -59.5 | -54.6 | -175.6 | -162.5 | 0 | 111.1 | F121 A125 D215 | F121-K123 PolarHBondContact O-N 2.73Å; K123-A125 HydrophobicContact CD-CB 4.27Å; K123-D215 IonicContact NZ-OD1 2.7Å; K123-D215 PolarHBondContact NZ-OD1 3Å; K123-D215 IonicContact NZ-OD2 3.52Å; K123-D215 PolarHBondContact NZ-OD2 3.3Å |
| 124 | P | 95 | Very high | 95.9 | Very high | 107 Ų | 107 | 62.5 Ų | 62.5 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | S | Bend | cis | -70.9 | 140.9 | -2 | 30.9 | -34.6 | 0 | 0 | 0 | 111.6 | P122 Y126 | P122-P124 CarbonylContact O-C 3.52Å; P124-Y126 PolarHBondContact O-N 3.15Å |
| 125 | A | 95.5 | Very high | 95.8 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 17% | 0.165 | 33% | 0.329 | C | S | . | . | trans | -75.3 | 57.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F121 P122 K123 L217 T218 | F121-A125 HydrophobicContact CB-CB 4.04Å; P122-A125 PolarHBondContact O-N 2.72Å; K123-A125 HydrophobicContact CD-CB 4.27Å; A125-L217 HydrophobicContact CB-CD1 4.36Å; A125-T218 PolarHBondContact O-N 2.68Å | ||
| 126 | Y | 97.3 | Very high | 95.8 | Very high | 113 Ų | 113 | 64.9 Ų | 64.9 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 134.8 | -175.7 | 175.8 | -93.1 | 0 | 0 | 0 | 110.2 | P124 A128 T218 N220 | P124-Y126 PolarHBondContact O-N 3.15Å; Y126-A128 HydrophobicContact CE1-CB 3.98Å; Y126-T218 CarbonylContact C-O 3.47Å; Y126-T218 VanDerWaalsContact CA-O 3.26Å; Y126-T218 WeakPolarHBondContact CA-O 3.14Å; Y126-T218 HydrophobicContact CD2-CG2 4.22Å; Y126-N220 HydrophobicContact CE2-CB 3.93Å; Y126-N220 WeakPolarHBondContact OH-CB 3.44Å; Y126-N220 PolarHBondContact OH-ND2 2.79Å |
| 127 | V | 96.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | L129 L143 P144 L217 T218 V219 N220 | V127-L129 HydrophobicContact CG1-CD2 3.74Å; V127-L129 HydrophobicContact CG1-CG 3.84Å; V127-L143 HydrophobicContact CG1-CD2 4.45Å; V127-P144 HydrophobicContact CG2-CG 3.56Å; V127-L217 HydrophobicContact CG2-CD1 4.01Å; V127-L217 HydrophobicContact CG2-CD2 4.4Å; V127-T218 PolarHBondContact N-O 3.15Å; V127-V219 HydrophobicContact CB-CG1 4.38Å; V127-V219 HydrophobicContact CB-CG2 4.42Å; V127-V219 CarbonylContact O-C 3.59Å; V127-V219 WeakPolarHBondContact O-CA 3.37Å; V127-N220 PolarHBondContact O-N 2.97Å |
| 128 | A | 97.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 58% | 0.579 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y126 N220 | Y126-A128 HydrophobicContact CE1-CB 3.98Å; A128-N220 CarbonylContact C-O 3.54Å; A128-N220 WeakPolarHBondContact CA-O 3.47Å |
| 129 | L | 96.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 139.8 | 178.5 | -65.3 | -179.7 | 0 | 0 | 0 | 110 | V127 V141 L143 L185 V219 N220 V221 T222 | V127-L129 HydrophobicContact CG1-CD2 3.74Å; V127-L129 HydrophobicContact CG1-CG 3.84Å; L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD2-CG1 4.25Å; L129-L143 HydrophobicContact CD1-CD2 3.83Å; L129-L185 HydrophobicContact CD1-CD2 4.19Å; L129-V219 HydrophobicContact CD1-CG1 3.71Å; L129-V219 HydrophobicContact CG-CG1 4.09Å; L129-N220 PolarHBondContact N-O 3.43Å; L129-V221 HydrophobicContact CB-CG2 4.4Å; L129-V221 HydrophobicContact CD1-CG2 4.46Å; L129-V221 WeakPolarHBondContact O-CA 3.24Å; L129-T222 PolarHBondContact O-N 3.32Å; L129-T222 PolarHBondContact O-OG1 3.31Å |
| 130 | Q | 96.9 | Very high | 95.6 | Very high | 144 Ų | 144 | 72 Ų | 72 | 67% | 0.673 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.6 | 168 | -79.4 | 179.8 | -7.3 | 0 | 0 | 108.6 | T222 M224 | Q130-T222 WeakPolarHBondContact CA-O 3.16Å; Q130-T222 VanDerWaalsContact CG-OG1 3.27Å; Q130-T222 WeakPolarHBondContact CG-OG1 3.41Å; Q130-M224 HydrophobicContact CB-CG 3.99Å; Q130-M224 HydrophobicContact CB-SD 4.27Å; Q130-M224 HydrophobicContact CG-CG 4.36Å; Q130-M224 HydrophobicContact CG-SD 4.02Å |
| 131 | L | 96.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.4 | 175.9 | -60.3 | -179.1 | 0 | 0 | 0 | 108.8 | V141 F170 I187 V221 T222 L223 M224 | L131-V141 HydrophobicContact CD2-CG2 3.86Å; L131-F170 HydrophobicContact CD1-CE1 3.77Å; L131-F170 HydrophobicContact CD1-CZ 4.31Å; L131-I187 HydrophobicContact CD1-CD1 4.36Å; L131-V221 HydrophobicContact CB-CG1 4.35Å; L131-V221 HydrophobicContact CD1-CG1 3.61Å; L131-V221 HydrophobicContact CG-CG1 3.87Å; L131-T222 PolarHBondContact N-O 3.27Å; L131-L223 HydrophobicContact CB-CD2 4.14Å; L131-L223 CarbonylContact O-C 3.53Å; L131-L223 VanDerWaalsContact O-CA 3.25Å; L131-L223 WeakPolarHBondContact O-CA 3.07Å; L131-M224 PolarHBondContact O-N 3.44Å |
| 132 | S | 95.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.7 | 167.6 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | F134 A135 V226 | S132-F134 PolarHBondContact O-N 3.09Å; S132-F134 PolarHBondContact OG-N 2.96Å; S132-A135 WeakPolarHBondContact O-CB 3.4Å; S132-A135 PolarHBondContact O-N 2.74Å; S132-V226 VanDerWaalsContact OG-CG2 3.26Å; S132-V226 WeakPolarHBondContact OG-CG2 3.44Å |
| 133 | E | 95.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.028 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.6 | 171.9 | 72.2 | -162 | 121 | 0 | 0 | 113 | A135 L191 R193 M224 D225 V226 | E133-A135 PolarHBondContact O-N 2.86Å; E133-L191 HydrophobicContact CB-CB 4.44Å; E133-R193 WeakPolarHBondContact OE2-CB 3.45Å; E133-R193 PolarHBondContact OE2-N 3.1Å; E133-M224 PolarHBondContact N-O 3.33Å; E133-D225 WeakPolarHBondContact OE1-CA 3.18Å; E133-V226 HydrophobicContact CG-CB 4.05Å; E133-V226 HydrophobicContact CG-CG2 3.95Å; E133-V226 PolarHBondContact OE1-N 2.65Å |
| 134 | F | 93.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 67.4 Ų | 67.4 | 55% | 0.553 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 9.9 | 170.5 | -78.6 | 14 | 0 | 0 | 0 | 113.8 | S132 K136 V226 D228 | S132-F134 PolarHBondContact O-N 3.09Å; S132-F134 PolarHBondContact OG-N 2.96Å; F134-K136 PolarHBondContact O-N 2.88Å; F134-V226 HydrophobicContact CB-CG2 4.29Å; F134-V226 HydrophobicContact CD1-CB 4.28Å; F134-V226 HydrophobicContact CD1-CG1 4.22Å; F134-V226 HydrophobicContact CD1-CG2 4.41Å; F134-V226 HydrophobicContact CD2-CB 4.4Å; F134-V226 HydrophobicContact CD2-CG1 3.59Å; F134-V226 HydrophobicContact CD2-CG2 4.44Å; F134-V226 HydrophobicContact CE1-CB 4.37Å; F134-V226 HydrophobicContact CE1-CG1 4.11Å; F134-V226 HydrophobicContact CE2-CB 4.48Å; F134-V226 HydrophobicContact CE2-CG1 3.46Å; F134-V226 VanDerWaalsContact CE2-CG1 3.46Å; F134-V226 HydrophobicContact CG-CB 4.3Å; F134-V226 HydrophobicContact CG-CG1 3.98Å; F134-V226 HydrophobicContact CG-CG2 4.13Å; F134-V226 HydrophobicContact CZ-CB 4.47Å; F134-V226 HydrophobicContact CZ-CG1 3.74Å; F134-D228 HydrophobicContact CE1-CB 3.72Å; F134-D228 HydrophobicContact CZ-CB 3.44Å; F134-D228 VanDerWaalsContact CZ-CB 3.44Å |
| 135 | A | 93.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 63 Ų | 63 | 22% | 0.223 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 131 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | S132 E133 I187 | S132-A135 WeakPolarHBondContact O-CB 3.4Å; S132-A135 PolarHBondContact O-N 2.74Å; E133-A135 PolarHBondContact O-N 2.86Å; A135-I187 HydrophobicContact CB-CD1 3.25Å |
| 136 | K | 94.3 | Very high | 95.8 | Very high | 175 Ų | 175 | 62.2 Ų | 62.2 | 76% | 0.761 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 142.5 | -173.5 | -68.8 | -177.6 | 179.5 | 179.1 | 0 | 111 | F134 S139 | F134-K136 PolarHBondContact O-N 2.88Å; K136-S139 VanDerWaalsContact O-CB 3.24Å; K136-S139 WeakPolarHBondContact O-CB 3.09Å; K136-S139 PolarHBondContact O-N 2.65Å; K136-S139 VanDerWaalsContact O-N 3.15Å; K136-S139 PolarHBondContact O-OG 2.77Å |
| 137 | L | 94.2 | Very high | 95.7 | Very high | 101 Ų | 101 | 62.9 Ų | 62.9 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 143.7 | 168.7 | -165.9 | 70.4 | 0 | 0 | 0 | 110.5 | S139 N188 | L137-S139 PolarHBondContact O-N 2.89Å; L137-S139 VanDerWaalsContact O-N 3.13Å; L137-N188 VanDerWaalsContact CD1-C 3.41Å |
| 138 | D | 94.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 62.7 Ų | 62.7 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 9.5 | -176.8 | -66 | -55.6 | 0 | 0 | 0 | 115.5 | E140 R171 I187 | D138-E140 PolarHBondContact O-N 3.36Å; D138-R171 IonicContact OD1-CZ 2.77Å; D138-R171 IonicContact OD1-NE 3.81Å; D138-R171 IonicContact OD1-NH2 3.25Å; D138-R171 PolarHBondContact OD1-NH2 3.03Å; D138-I187 WeakPolarHBondContact CA-O 3.33Å; D138-I187 PolarHBondContact N-O 3.01Å |
| 139 | S | 94.8 | Very high | 95.6 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 28% | 0.28 | 33% | 0.334 | S | S | . | . | trans | -66 | 134.4 | 168.1 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | K136 L137 V186 I187 | K136-S139 VanDerWaalsContact O-CB 3.24Å; K136-S139 WeakPolarHBondContact O-CB 3.09Å; K136-S139 PolarHBondContact O-N 2.65Å; K136-S139 VanDerWaalsContact O-N 3.15Å; K136-S139 PolarHBondContact O-OG 2.77Å; L137-S139 PolarHBondContact O-N 2.89Å; L137-S139 VanDerWaalsContact O-N 3.13Å; S139-V186 WeakPolarHBondContact O-CA 3.39Å; S139-I187 PolarHBondContact O-N 3.21Å; S139-I187 VanDerWaalsContact O-N 3.11Å; S139-I187 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 140 | E | 95.4 | Very high | 95.6 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.4 | -178 | -51.2 | -165.7 | 143.5 | 0 | 0 | 110.3 | D138 S173 D184 L185 V186 | D138-E140 PolarHBondContact O-N 3.36Å; E140-S173 PolarHBondContact OE1-OG 3.09Å; E140-D184 HydrophobicContact CB-CB 4.25Å; E140-L185 CarbonylContact C-O 3.28Å; E140-V186 HydrophobicContact CB-CG2 4.27Å; E140-V186 HydrophobicContact CG-CG1 4.37Å; E140-V186 HydrophobicContact CG-CG2 3.78Å |
| 141 | V | 95.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 113 | 177.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | L129 L131 L143 D184 L185 | L129-V141 HydrophobicContact CD1-CG1 4Å; L129-V141 HydrophobicContact CD2-CG1 4.25Å; L131-V141 HydrophobicContact CD2-CG2 3.86Å; V141-L143 PolarHBondContact O-N 2.79Å; V141-D184 WeakPolarHBondContact O-CA 3.34Å; V141-L185 HydrophobicContact CB-CB 4.48Å; V141-L185 PolarHBondContact N-O 2.9Å; V141-L185 PolarHBondContact O-N 3.35Å |
| 142 | P | 96.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 134.8 | 179.9 | -24.3 | 33.8 | 0 | 0 | 0 | 112.1 | D184 | P142-D184 WeakPolarHBondContact CA-OD1 3.32Å |
| 143 | L | 97.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 156.7 | 173.3 | -69.5 | -178.5 | 0 | 0 | 0 | 111 | V127 L129 V141 S145 L183 L185 I203 V219 | V127-L143 HydrophobicContact CG1-CD2 4.45Å; L129-L143 HydrophobicContact CD1-CD2 3.83Å; V141-L143 PolarHBondContact O-N 2.79Å; L143-S145 PolarHBondContact O-N 3.04Å; L143-L183 HydrophobicContact CB-CB 4.48Å; L143-L183 HydrophobicContact CB-CD2 3.96Å; L143-L183 HydrophobicContact CB-CG 4Å; L143-L183 HydrophobicContact CD1-CD2 3.93Å; L143-L183 HydrophobicContact CD1-CG 4.14Å; L143-L183 PolarHBondContact N-O 3.07Å; L143-L185 HydrophobicContact CD1-CB 3.87Å; L143-L185 HydrophobicContact CG-CB 4.07Å; L143-I203 HydrophobicContact CD1-CD1 3.45Å; L143-I203 VanDerWaalsContact CD1-CD1 3.45Å; L143-V219 HydrophobicContact CD1-CG2 4.15Å; L143-V219 HydrophobicContact CD2-CG1 4.24Å; L143-V219 HydrophobicContact CD2-CG2 4.16Å |
| 144 | P | 96.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 64 Ų | 64 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -56 | 127.1 | 167.1 | -20.7 | 32.4 | 0 | 0 | 0 | 109.8 | F121 P122 V127 | F121-P144 WeakPolarHBondContact CD1-O 3.34Å; F121-P144 WeakPolarHBondContact CE1-O 3.38Å; P122-P144 HydrophobicContact CG-CB 4.21Å; V127-P144 HydrophobicContact CG2-CG 3.56Å |
| 145 | S | 96.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 146.6 | 178.5 | -54 | 0 | 0 | 0 | 0 | 109.2 | P122 L143 Y182 L183 | P122-S145 WeakPolarHBondContact CD-O 3.1Å; L143-S145 PolarHBondContact O-N 3.04Å; S145-Y182 VanDerWaalsContact OG-CA 3.31Å; S145-Y182 WeakPolarHBondContact OG-CA 3.36Å; S145-L183 PolarHBondContact OG-N 2.93Å; S145-L183 VanDerWaalsContact OG-N 3.1Å |
| 146 | A | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 147.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P119 A120 F121 V156 Y159 A205 | P119-A146 HydrophobicContact CB-CB 4.28Å; A120-A146 WeakPolarHBondContact O-CA 3.5Å; F121-A146 HydrophobicContact CD1-CB 3.88Å; F121-A146 HydrophobicContact CD2-CB 4.3Å; F121-A146 HydrophobicContact CE1-CB 3.86Å; F121-A146 HydrophobicContact CE2-CB 4.27Å; F121-A146 HydrophobicContact CG-CB 4.13Å; F121-A146 HydrophobicContact CZ-CB 4.07Å; A146-V156 HydrophobicContact CB-CG2 4.24Å; A146-Y159 HydrophobicContact CB-CE1 3.97Å; A146-Y159 PolarHBondContact N-OH 3.49Å; A146-Y159 PolarHBondContact O-OH 3Å; A146-A205 HydrophobicContact CB-CB 3.5Å |
| 147 | E | 95.8 | Very high | 95.6 | Very high | 128 Ų | 128 | 53 Ų | 53 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | B | Isolated β-bridge | trans | -118 | 144.4 | 172.3 | -68.7 | -179.6 | -160.6 | 0 | 0 | 109.1 | A120 | A120-E147 PolarHBondContact N-O 2.78Å; A120-E147 PolarHBondContact O-N 2.85Å |
| 148 | D | 96.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | trans | -136.5 | 120 | 176.8 | -164.7 | -35.9 | 0 | 0 | 0 | 106.5 | P119 D150 V156 | P119-D148 WeakPolarHBondContact CD-OD2 2.98Å; P119-D148 WeakPolarHBondContact CG-OD2 3.18Å; D148-D150 PolarHBondContact O-N 3.39Å; D148-D150 WeakPolarHBondContact OD1-CB 3.05Å; D148-D150 PolarHBondContact OD1-N 2.79Å; D148-D150 VanDerWaalsContact OD1-N 3.15Å; D148-V156 HydrophobicContact CB-CG2 3.56Å | ||
| 149 | P | 95.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | trans | -74.2 | -14.2 | -175.2 | 33.9 | -38.7 | 0 | 0 | 0 | 113.2 | R86 E87 N117 | R86-P149 PolarHBondContact NH2-O 3.05Å; E87-P149 HydrophobicContact CB-CB 4.42Å; E87-P149 HydrophobicContact CG-CB 3.68Å; E87-P149 HydrophobicContact CG-CG 3.96Å; N117-P149 HydrophobicContact CB-CG 3.62Å | ||
| 150 | D | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -60.1 | 159.2 | 176.6 | -62.7 | -5.3 | 0 | 0 | 0 | 110.4 | R86 N115 D116 N117 D148 D155 | R86-D150 VanDerWaalsContact NH2-CA 3.3Å; N115-D150 WeakPolarHBondContact CA-OD2 3.1Å; D116-D150 PolarHBondContact N-OD2 2.91Å; N117-D150 VanDerWaalsContact CB-OD1 3.25Å; N117-D150 WeakPolarHBondContact CB-OD1 3.08Å; N117-D150 PolarHBondContact N-OD2 2.88Å; N117-D150 PolarHBondContact ND2-OD1 3.15Å; D148-D150 PolarHBondContact O-N 3.39Å; D148-D150 WeakPolarHBondContact OD1-CB 3.05Å; D148-D150 PolarHBondContact OD1-N 2.79Å; D148-D150 VanDerWaalsContact OD1-N 3.15Å; D150-D155 WeakPolarHBondContact O-CB 3.39Å |
| 151 | A | 93.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 50.3 Ų | 50.3 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 159.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D113 Y154 D155 | D113-A151 HydrophobicContact CB-CB 4.17Å; D113-A151 WeakPolarHBondContact OD2-CA 3.29Å; D113-A151 WeakPolarHBondContact OD2-CB 3.29Å; D113-A151 PolarHBondContact OD2-N 2.96Å; A151-Y154 WeakPolarHBondContact O-CA 3.18Å; A151-Y154 PolarHBondContact O-N 3.49Å; A151-D155 PolarHBondContact O-N 2.99Å |
| 152 | P | 93 | Very high | 96.2 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 60% | 0.597 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.2 | 172.2 | -23.4 | 30.8 | 0 | 0 | 0 | 112.1 | D155 | P152-D155 VanDerWaalsContact CA-OD1 3.23Å; P152-D155 WeakPolarHBondContact CA-OD1 3.32Å |
| 153 | P | 93.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.9 | 3.7 | 12.2 | 37.7 | -36.7 | 0 | 0 | 0 | 115.9 | D155 Q157 G208 | P153-D155 VanDerWaalsContact C-N 3.31Å; P153-Q157 WeakPolarHBondContact O-CG 3.32Å; P153-Q157 PolarHBondContact O-NE2 3.27Å; P153-G208 WeakPolarHBondContact O-CA 3.48Å; P153-G208 PolarHBondContact O-N 2.85Å; P153-G208 VanDerWaalsContact O-N 3.14Å |
| 154 | Y | 95.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.1 | -176.5 | -57.2 | -39.4 | 0 | 0 | 0 | 113.5 | D113 N115 A151 D207 | D113-Y154 HydrophobicContact CB-CD2 4.36Å; D113-Y154 WeakPolarHBondContact OD2-CD2 3.44Å; N115-Y154 HydrophobicContact CB-CD1 3.59Å; N115-Y154 HydrophobicContact CB-CD2 4Å; N115-Y154 HydrophobicContact CB-CE1 4.01Å; N115-Y154 HydrophobicContact CB-CE2 4.4Å; N115-Y154 HydrophobicContact CB-CG 3.59Å; N115-Y154 VanDerWaalsContact OD1-CB 3.28Å; N115-Y154 WeakPolarHBondContact OD1-CB 3.38Å; N115-Y154 WeakPolarHBondContact OD1-CD1 3.28Å; A151-Y154 WeakPolarHBondContact O-CA 3.18Å; A151-Y154 PolarHBondContact O-N 3.49Å; Y154-D207 WeakPolarHBondContact O-CB 3.29Å |
| 155 | D | 95.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -69 | 172.8 | 167.2 | 69.9 | -26.6 | 0 | 0 | 0 | 113 | D150 A151 P152 P153 Q157 R176 | D150-D155 WeakPolarHBondContact O-CB 3.39Å; A151-D155 PolarHBondContact O-N 2.99Å; P152-D155 VanDerWaalsContact CA-OD1 3.23Å; P152-D155 WeakPolarHBondContact CA-OD1 3.32Å; P153-D155 VanDerWaalsContact C-N 3.31Å; D155-Q157 WeakPolarHBondContact O-CG 3.09Å; D155-Q157 PolarHBondContact O-N 2.83Å; D155-Q157 PolarHBondContact O-NE2 2.92Å; D155-Q157 VanDerWaalsContact O-NE2 3.09Å; D155-Q157 PolarHBondContact OD1-NE2 3.13Å; D155-R176 VanDerWaalsContact CG-NH2 3.31Å; D155-R176 IonicContact OD1-NH2 3.75Å; D155-R176 IonicContact OD2-CZ 3.65Å; D155-R176 IonicContact OD2-NH1 2.86Å; D155-R176 PolarHBondContact OD2-NH1 2.82Å; D155-R176 IonicContact OD2-NH2 3.65Å; D155-R176 PolarHBondContact OD2-NH2 2.72Å |
| 156 | V | 97.2 | Very high | 96 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | trans | -56.8 | 114.1 | -179.4 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | P119 A146 D148 Y159 R176 L181 A205 | P119-V156 HydrophobicContact CB-CG2 3.97Å; P119-V156 HydrophobicContact CG-CG2 4.33Å; A146-V156 HydrophobicContact CB-CG2 4.24Å; D148-V156 HydrophobicContact CB-CG2 3.56Å; V156-Y159 HydrophobicContact CG1-CE1 4.32Å; V156-Y159 HydrophobicContact CG1-CE2 4.22Å; V156-R176 PolarHBondContact O-NH2 3.3Å; V156-L181 HydrophobicContact CG1-CD2 4.28Å; V156-A205 HydrophobicContact CG1-CB 4.38Å | ||
| 157 | Q | 96.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -99.6 | -36 | -176.7 | -69.4 | -50.5 | -56.2 | 0 | 0 | 113.8 | P153 D155 L181 F206 | P153-Q157 WeakPolarHBondContact O-CG 3.32Å; P153-Q157 PolarHBondContact O-NE2 3.27Å; D155-Q157 WeakPolarHBondContact O-CG 3.09Å; D155-Q157 PolarHBondContact O-N 2.83Å; D155-Q157 PolarHBondContact O-NE2 2.92Å; D155-Q157 VanDerWaalsContact O-NE2 3.09Å; D155-Q157 PolarHBondContact OD1-NE2 3.13Å; Q157-L181 WeakPolarHBondContact O-CD2 3.39Å; Q157-F206 PolarHBondContact N-O 2.93Å | ||
| 158 | R | 96.4 | Very high | 95.9 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 157.9 | -174.9 | 66.3 | -179 | -175.8 | -74.3 | -4.8 | 113.4 | F206 D207 | R158-F206 HydrophobicContact CG-CB 3.85Å; R158-F206 HydrophobicContact CG-CD2 4.09Å; R158-F206 HydrophobicContact CG-CG 4.38Å; R158-F206 PolarHBondContact N-O 3.18Å; R158-F206 PolarHBondContact O-N 3.34Å; R158-D207 PolarHBondContact NH1-O 3.16Å |
| 159 | Y | 98.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 150.7 | 168.5 | -59.5 | -86.7 | 0 | 0 | 0 | 111.1 | F121 A146 V156 T174 L181 L183 I203 N204 A205 | F121-Y159 HydrophobicContact CE1-CD1 4.36Å; F121-Y159 AromaticContact CE1-CE1 3.78Å; F121-Y159 HydrophobicContact CE1-CE1 3.78Å; F121-Y159 AromaticContact CZ-CD1 3.9Å; F121-Y159 HydrophobicContact CZ-CD1 3.9Å; F121-Y159 AromaticContact CZ-CE1 3.68Å; F121-Y159 HydrophobicContact CZ-CE1 3.68Å; A146-Y159 HydrophobicContact CB-CE1 3.97Å; A146-Y159 PolarHBondContact N-OH 3.49Å; A146-Y159 PolarHBondContact O-OH 3Å; V156-Y159 HydrophobicContact CG1-CE1 4.32Å; V156-Y159 HydrophobicContact CG1-CE2 4.22Å; Y159-T174 HydrophobicContact CD2-CG2 3.69Å; Y159-T174 HydrophobicContact CE2-CG2 4.39Å; Y159-L181 HydrophobicContact CD2-CD2 3.96Å; Y159-L181 HydrophobicContact CD2-CG 4.39Å; Y159-L181 HydrophobicContact CE2-CB 4.24Å; Y159-L181 HydrophobicContact CE2-CD2 3.71Å; Y159-L181 HydrophobicContact CE2-CG 3.83Å; Y159-L181 VanDerWaalsContact CE2-O 3.32Å; Y159-L181 WeakPolarHBondContact CE2-O 3.41Å; Y159-L181 PolarHBondContact OH-O 3.25Å; Y159-L183 HydrophobicContact CD1-CD1 4.29Å; Y159-L183 HydrophobicContact CD1-CD2 3.88Å; Y159-L183 HydrophobicContact CD1-CG 4.49Å; Y159-L183 HydrophobicContact CD2-CB 4.2Å; Y159-L183 HydrophobicContact CD2-CD1 3.86Å; Y159-L183 HydrophobicContact CD2-CG 4.46Å; Y159-L183 HydrophobicContact CE1-CB 4.39Å; Y159-L183 HydrophobicContact CE1-CD2 4.05Å; Y159-L183 HydrophobicContact CE2-CB 3.94Å; Y159-L183 HydrophobicContact CE2-CD1 4.45Å; Y159-L183 HydrophobicContact CG-CD1 3.74Å; Y159-L183 HydrophobicContact CG-CD2 4.19Å; Y159-L183 HydrophobicContact CG-CG 4.37Å; Y159-I203 HydrophobicContact CD1-CG2 4.41Å; Y159-N204 CarbonylContact C-O 3.54Å; Y159-N204 VanDerWaalsContact CA-O 3.22Å; Y159-N204 WeakPolarHBondContact CA-O 3.42Å; Y159-A205 HydrophobicContact CD1-CB 3.71Å; Y159-A205 HydrophobicContact CE1-CB 3.57Å |
| 160 | E | 97.8 | Very high | 96 | Very high | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.9 | 177.9 | -173.3 | -177.4 | -174.4 | 0 | 0 | 111 | A162 I203 N204 F206 | E160-A162 PolarHBondContact O-N 2.79Å; E160-I203 CarbonylContact O-C 3.54Å; E160-I203 WeakPolarHBondContact O-CA 3.31Å; E160-N204 PolarHBondContact N-O 2.84Å; E160-N204 PolarHBondContact O-N 3.38Å; E160-F206 HydrophobicContact CB-CE2 4.04Å |
| 161 | I | 98.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.5 | 169.7 | -50.8 | 175.1 | 0 | 0 | 0 | 108.8 | N165 F170 L172 L201 K202 I203 | I161-N165 HydrophobicContact CG2-CB 3.86Å; I161-F170 HydrophobicContact CD1-CB 4.42Å; I161-L172 HydrophobicContact CD1-CD2 3.99Å; I161-L172 HydrophobicContact CD1-CG 3.94Å; I161-L172 HydrophobicContact CG1-CD1 3.68Å; I161-L172 HydrophobicContact CG1-CD2 3.86Å; I161-L172 HydrophobicContact CG1-CG 3.6Å; I161-L201 HydrophobicContact CG2-CD2 4.5Å; I161-K202 CarbonylContact C-O 3.57Å; I161-I203 HydrophobicContact CG1-CG1 4.43Å |
| 162 | A | 97 | Very high | 96.3 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -16.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | E160 K202 N204 | E160-A162 PolarHBondContact O-N 2.79Å; A162-K202 HydrophobicContact CB-CB 4.34Å; A162-K202 PolarHBondContact N-O 3.32Å; A162-N204 WeakPolarHBondContact CB-ND2 3.36Å |
| 163 | G | 96.7 | Very high | 96.5 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N165 L201 K202 | G163-N165 VanDerWaalsContact C-N 3.32Å; G163-N165 PolarHBondContact O-N 2.9Å; G163-L201 WeakPolarHBondContact O-CA 3.25Å; G163-K202 PolarHBondContact O-N 3.45Å |
| 164 | G | 96 | Very high | 96.7 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | trans | 85.2 | -6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V166 I200 L201 | G164-V166 PolarHBondContact O-N 2.85Å; G164-I200 WeakPolarHBondContact CA-O 3.37Å; G164-L201 WeakPolarHBondContact O-CD2 3.43Å | ||
| 165 | N | 96.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | trans | -89.4 | 73.5 | -175.6 | -166.7 | 21.6 | 0 | 0 | 0 | 112.3 | I161 G163 N167 N168 A169 F170 L201 | I161-N165 HydrophobicContact CG2-CB 3.86Å; G163-N165 VanDerWaalsContact C-N 3.32Å; G163-N165 PolarHBondContact O-N 2.9Å; N165-N167 PolarHBondContact O-N 3Å; N165-N168 PolarHBondContact O-N 3.04Å; N165-A169 PolarHBondContact OD1-N 3.12Å; N165-F170 PolarHBondContact ND2-O 3.39Å; N165-F170 PolarHBondContact OD1-N 3.18Å; N165-L201 HydrophobicContact CB-CD2 3.94Å | ||
| 166 | V | 95.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -60.3 | 137.2 | 179 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | G164 N168 A169 Y199 | G164-V166 PolarHBondContact O-N 2.85Å; V166-N168 PolarHBondContact O-N 2.75Å; V166-A169 WeakPolarHBondContact O-CB 3.23Å; V166-A169 PolarHBondContact O-N 3.34Å; V166-A169 VanDerWaalsContact O-N 3.09Å; V166-Y199 HydrophobicContact CB-CD1 4.48Å; V166-Y199 HydrophobicContact CB-CE1 4.02Å |
| 167 | N | 93.5 | Very high | 96.5 | Very high | 117 Ų | 117 | 61.8 Ų | 61.8 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | 54.6 | 18.8 | -179.9 | -62.4 | -19.8 | 0 | 0 | 0 | 115.8 | N165 A169 | N165-N167 PolarHBondContact O-N 3Å; N167-A169 PolarHBondContact O-N 2.89Å |
| 168 | N | 95.4 | Very high | 96.2 | Very high | 110 Ų | 110 | 65.8 Ų | 65.8 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 53.3 | 39.7 | -171.7 | -60.2 | -39.5 | 0 | 0 | 0 | 112.7 | N165 V166 F170 N188 | N165-N168 PolarHBondContact O-N 3.04Å; V166-N168 PolarHBondContact O-N 2.75Å; N168-F170 PolarHBondContact O-N 3.37Å; N168-F170 VanDerWaalsContact O-N 3.17Å; N168-N188 WeakPolarHBondContact O-CB 3.37Å; N168-N188 PolarHBondContact O-ND2 2.86Å |
| 169 | A | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -58.6 | -27.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N165 V166 N167 N188 S189 L191 Y199 | N165-A169 PolarHBondContact OD1-N 3.12Å; V166-A169 WeakPolarHBondContact O-CB 3.23Å; V166-A169 PolarHBondContact O-N 3.34Å; V166-A169 VanDerWaalsContact O-N 3.09Å; N167-A169 PolarHBondContact O-N 2.89Å; A169-N188 PolarHBondContact O-N 3.17Å; A169-S189 WeakPolarHBondContact CA-OG 3.38Å; A169-S189 PolarHBondContact O-N 3.23Å; A169-L191 HydrophobicContact CB-CD2 4Å; A169-Y199 HydrophobicContact CB-CE1 3.84Å | ||
| 170 | F | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.1 | 177.6 | -53.2 | -81.2 | 0 | 0 | 0 | 112.1 | L131 I161 N165 N168 L185 V186 I187 L191 Y199 L201 V221 | L131-F170 HydrophobicContact CD1-CE1 3.77Å; L131-F170 HydrophobicContact CD1-CZ 4.31Å; I161-F170 HydrophobicContact CD1-CB 4.42Å; N165-F170 PolarHBondContact ND2-O 3.39Å; N165-F170 PolarHBondContact OD1-N 3.18Å; N168-F170 PolarHBondContact O-N 3.37Å; N168-F170 VanDerWaalsContact O-N 3.17Å; F170-L185 HydrophobicContact CB-CD1 3.66Å; F170-L185 HydrophobicContact CB-CG 4.2Å; F170-L185 HydrophobicContact CD1-CD1 4.32Å; F170-L185 HydrophobicContact CD1-CD2 3.89Å; F170-L185 HydrophobicContact CD1-CG 3.95Å; F170-L185 HydrophobicContact CE1-CD2 4.32Å; F170-L185 HydrophobicContact CG-CD1 4.13Å; F170-L185 HydrophobicContact CG-CD2 4.29Å; F170-L185 HydrophobicContact CG-CG 4.28Å; F170-V186 CarbonylContact C-O 3.59Å; F170-V186 VanDerWaalsContact CA-O 3.29Å; F170-V186 WeakPolarHBondContact CA-O 3.39Å; F170-I187 HydrophobicContact CE1-CG1 4.38Å; F170-L191 HydrophobicContact CE1-CD1 4.27Å; F170-L191 HydrophobicContact CE1-CD2 4.28Å; F170-L191 HydrophobicContact CE2-CD2 4.46Å; F170-L191 HydrophobicContact CZ-CD1 4.3Å; F170-L191 HydrophobicContact CZ-CD2 3.87Å; F170-Y199 HydrophobicContact CD2-CD1 4.41Å; F170-Y199 AromaticContact CE2-CD1 3.78Å; F170-Y199 HydrophobicContact CE2-CD1 3.78Å; F170-Y199 AromaticContact CE2-CD2 3.99Å; F170-Y199 HydrophobicContact CE2-CD2 3.99Å; F170-Y199 HydrophobicContact CE2-CE1 4.2Å; F170-Y199 HydrophobicContact CE2-CE2 4.42Å; F170-Y199 AromaticContact CE2-CG 3.67Å; F170-Y199 HydrophobicContact CE2-CG 3.67Å; F170-Y199 HydrophobicContact CZ-CD2 4.38Å; F170-Y199 HydrophobicContact CZ-CG 4.47Å; F170-L201 HydrophobicContact CB-CD1 4.32Å; F170-L201 HydrophobicContact CD2-CD1 3.94Å; F170-L201 HydrophobicContact CD2-CD2 4.23Å; F170-L201 HydrophobicContact CG-CD1 4.16Å; F170-V221 HydrophobicContact CZ-CG1 4.05Å |
| 171 | R | 97.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 60 Ų | 60 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 168.4 | 164.5 | 69.2 | -178.7 | 173 | 86.1 | -1.9 | 109.6 | D138 V186 N188 | D138-R171 IonicContact OD1-CZ 2.77Å; D138-R171 IonicContact OD1-NE 3.81Å; D138-R171 IonicContact OD1-NH2 3.25Å; D138-R171 PolarHBondContact OD1-NH2 3.03Å; R171-V186 HydrophobicContact CG-CB 3.79Å; R171-V186 HydrophobicContact CG-CG1 4.29Å; R171-V186 PolarHBondContact N-O 3.5Å; R171-V186 PolarHBondContact O-N 3.09Å; R171-N188 HydrophobicContact CB-CB 4.19Å; R171-N188 WeakPolarHBondContact CD-OD1 3.49Å; R171-N188 HydrophobicContact CG-CB 4.08Å |
| 172 | L | 97.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 62 Ų | 62 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.5 | 174.5 | -56.7 | 178.1 | 0 | 0 | 0 | 109.6 | I161 L183 D184 L185 I203 | I161-L172 HydrophobicContact CD1-CD2 3.99Å; I161-L172 HydrophobicContact CD1-CG 3.94Å; I161-L172 HydrophobicContact CG1-CD1 3.68Å; I161-L172 HydrophobicContact CG1-CD2 3.86Å; I161-L172 HydrophobicContact CG1-CG 3.6Å; L172-L183 HydrophobicContact CB-CD1 4.07Å; L172-L183 HydrophobicContact CD1-CD1 4.08Å; L172-L183 HydrophobicContact CD2-CD1 3.99Å; L172-L183 HydrophobicContact CG-CD1 4.24Å; L172-D184 WeakPolarHBondContact CA-O 3.33Å; L172-L185 HydrophobicContact CD2-CD1 3.82Å; L172-I203 HydrophobicContact CD1-CG2 3.87Å; L172-I203 HydrophobicContact CD2-CD1 3.92Å |
| 173 | S | 97.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.3 | 167.5 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | E140 D184 V186 | E140-S173 PolarHBondContact OE1-OG 3.09Å; S173-D184 PolarHBondContact N-O 2.73Å; S173-D184 PolarHBondContact O-N 3.29Å; S173-V186 VanDerWaalsContact CB-CG2 3.48Å |
| 174 | T | 97.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138 | -177.5 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | Y159 Y182 L183 | Y159-T174 HydrophobicContact CD2-CG2 3.69Å; Y159-T174 HydrophobicContact CE2-CG2 4.39Å; T174-Y182 WeakPolarHBondContact CA-O 3.22Å; T174-L183 HydrophobicContact CG2-CD1 4.36Å |
| 175 | R | 96.3 | Very high | 95.4 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.1 | 176.7 | 64.9 | -176.1 | -174.5 | -99.8 | -7.8 | 110.2 | I177 Y182 D184 | R175-I177 HydrophobicContact CG-CD1 4.24Å; R175-I177 HydrophobicContact CG-CG1 4.48Å; R175-Y182 PolarHBondContact N-O 2.81Å; R175-Y182 VanDerWaalsContact N-O 3.09Å; R175-Y182 WeakPolarHBondContact O-CB 2.92Å; R175-Y182 PolarHBondContact O-N 3.1Å; R175-D184 IonicContact CZ-OD1 2.85Å; R175-D184 IonicContact CZ-OD2 3.77Å; R175-D184 IonicContact NH1-OD1 2.99Å; R175-D184 PolarHBondContact NH1-OD1 2.8Å; R175-D184 IonicContact NH1-OD2 2.74Å; R175-D184 PolarHBondContact NH1-OD2 3.48Å; R175-D184 IonicContact NH2-OD1 3.87Å |
| 176 | R | 94.5 | Very high | 95.5 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 41% | 0.408 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.2 | 178.9 | -163.7 | 167 | -110.6 | -115.7 | 0.1 | 110.2 | D155 V156 G179 I180 L181 | D155-R176 VanDerWaalsContact CG-NH2 3.31Å; D155-R176 IonicContact OD1-NH2 3.75Å; D155-R176 IonicContact OD2-CZ 3.65Å; D155-R176 IonicContact OD2-NH1 2.86Å; D155-R176 PolarHBondContact OD2-NH1 2.82Å; D155-R176 IonicContact OD2-NH2 3.65Å; D155-R176 PolarHBondContact OD2-NH2 2.72Å; V156-R176 PolarHBondContact O-NH2 3.3Å; R176-G179 PolarHBondContact NH1-O 2.84Å; R176-G179 VanDerWaalsContact NH1-O 3.13Å; R176-I180 WeakPolarHBondContact CA-O 3.45Å; R176-L181 HydrophobicContact CB-CD1 4.14Å |
| 177 | I | 93.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 39% | 0.39 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.2 | 178.9 | -54.3 | 172.2 | 0 | 0 | 0 | 107.4 | R175 G179 I180 Y182 | R175-I177 HydrophobicContact CG-CD1 4.24Å; R175-I177 HydrophobicContact CG-CG1 4.48Å; I177-G179 PolarHBondContact O-N 3.41Å; I177-I180 PolarHBondContact N-O 2.8Å; I177-I180 PolarHBondContact O-N 2.97Å; I177-Y182 HydrophobicContact CB-CD2 3.99Å; I177-Y182 HydrophobicContact CB-CE2 3.74Å; I177-Y182 HydrophobicContact CD1-CD2 4.14Å; I177-Y182 HydrophobicContact CD1-CE2 4.32Å; I177-Y182 HydrophobicContact CG1-CD2 4.15Å; I177-Y182 HydrophobicContact CG1-CE2 4.34Å |
| 178 | N | 90 | Very high | 95.7 | Very high | 164 Ų | 164 | 50.2 Ų | 50.2 | 88% | 0.877 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.2 | -178.9 | -60.1 | -21.1 | 0 | 0 | 0 | 114.3 | I180 | N178-I180 VanDerWaalsContact C-N 3.29Å; N178-I180 PolarHBondContact O-N 2.78Å |
| 179 | G | 86.2 | Confident | 95.6 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -18.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R176 I177 | R176-G179 PolarHBondContact NH1-O 2.84Å; R176-G179 VanDerWaalsContact NH1-O 3.13Å; I177-G179 PolarHBondContact O-N 3.41Å |
| 180 | I | 91.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.2 | 178.4 | -58.2 | 174.1 | 0 | 0 | 0 | 109.8 | R176 I177 N178 Y182 | R176-I180 WeakPolarHBondContact CA-O 3.45Å; I177-I180 PolarHBondContact N-O 2.8Å; I177-I180 PolarHBondContact O-N 2.97Å; N178-I180 VanDerWaalsContact C-N 3.29Å; N178-I180 PolarHBondContact O-N 2.78Å; I180-Y182 HydrophobicContact CB-CD2 4.39Å; I180-Y182 HydrophobicContact CB-CE2 3.86Å; I180-Y182 HydrophobicContact CG2-CD2 4.2Å; I180-Y182 HydrophobicContact CG2-CE1 4.49Å; I180-Y182 HydrophobicContact CG2-CE2 3.9Å; I180-Y182 PolarHBondContact O-N 3.26Å |
| 181 | L | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 96.5 | 174 | -170.3 | 68.9 | 0 | 0 | 0 | 109.8 | V156 Q157 Y159 R176 | V156-L181 HydrophobicContact CG1-CD2 4.28Å; Q157-L181 WeakPolarHBondContact O-CD2 3.39Å; Y159-L181 HydrophobicContact CD2-CD2 3.96Å; Y159-L181 HydrophobicContact CD2-CG 4.39Å; Y159-L181 HydrophobicContact CE2-CB 4.24Å; Y159-L181 HydrophobicContact CE2-CD2 3.71Å; Y159-L181 HydrophobicContact CE2-CG 3.83Å; Y159-L181 VanDerWaalsContact CE2-O 3.32Å; Y159-L181 WeakPolarHBondContact CE2-O 3.41Å; Y159-L181 PolarHBondContact OH-O 3.25Å; R176-L181 HydrophobicContact CB-CD1 4.14Å |
| 182 | Y | 97 | Very high | 95.2 | Very high | 79 Ų | 79 | 55 Ų | 55 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 144.2 | 178 | -71.2 | -89 | 0 | 0 | 0 | 111.5 | S145 T174 R175 I177 I180 | S145-Y182 VanDerWaalsContact OG-CA 3.31Å; S145-Y182 WeakPolarHBondContact OG-CA 3.36Å; T174-Y182 WeakPolarHBondContact CA-O 3.22Å; R175-Y182 PolarHBondContact N-O 2.81Å; R175-Y182 VanDerWaalsContact N-O 3.09Å; R175-Y182 WeakPolarHBondContact O-CB 2.92Å; R175-Y182 PolarHBondContact O-N 3.1Å; I177-Y182 HydrophobicContact CB-CD2 3.99Å; I177-Y182 HydrophobicContact CB-CE2 3.74Å; I177-Y182 HydrophobicContact CD1-CD2 4.14Å; I177-Y182 HydrophobicContact CD1-CE2 4.32Å; I177-Y182 HydrophobicContact CG1-CD2 4.15Å; I177-Y182 HydrophobicContact CG1-CE2 4.34Å; I180-Y182 HydrophobicContact CB-CD2 4.39Å; I180-Y182 HydrophobicContact CB-CE2 3.86Å; I180-Y182 HydrophobicContact CG2-CD2 4.2Å; I180-Y182 HydrophobicContact CG2-CE1 4.49Å; I180-Y182 HydrophobicContact CG2-CE2 3.9Å; I180-Y182 PolarHBondContact O-N 3.26Å |
| 183 | L | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.2 | -177.6 | 176.2 | 65.4 | 0 | 0 | 0 | 110.9 | F121 L143 S145 Y159 L172 T174 I203 | F121-L183 HydrophobicContact CE1-CD2 4.29Å; L143-L183 HydrophobicContact CB-CB 4.48Å; L143-L183 HydrophobicContact CB-CD2 3.96Å; L143-L183 HydrophobicContact CB-CG 4Å; L143-L183 HydrophobicContact CD1-CD2 3.93Å; L143-L183 HydrophobicContact CD1-CG 4.14Å; L143-L183 PolarHBondContact N-O 3.07Å; S145-L183 PolarHBondContact OG-N 2.93Å; S145-L183 VanDerWaalsContact OG-N 3.1Å; Y159-L183 HydrophobicContact CD1-CD1 4.29Å; Y159-L183 HydrophobicContact CD1-CD2 3.88Å; Y159-L183 HydrophobicContact CD1-CG 4.49Å; Y159-L183 HydrophobicContact CD2-CB 4.2Å; Y159-L183 HydrophobicContact CD2-CD1 3.86Å; Y159-L183 HydrophobicContact CD2-CG 4.46Å; Y159-L183 HydrophobicContact CE1-CB 4.39Å; Y159-L183 HydrophobicContact CE1-CD2 4.05Å; Y159-L183 HydrophobicContact CE2-CB 3.94Å; Y159-L183 HydrophobicContact CE2-CD1 4.45Å; Y159-L183 HydrophobicContact CG-CD1 3.74Å; Y159-L183 HydrophobicContact CG-CD2 4.19Å; Y159-L183 HydrophobicContact CG-CG 4.37Å; L172-L183 HydrophobicContact CB-CD1 4.07Å; L172-L183 HydrophobicContact CD1-CD1 4.08Å; L172-L183 HydrophobicContact CD2-CD1 3.99Å; L172-L183 HydrophobicContact CG-CD1 4.24Å; T174-L183 HydrophobicContact CG2-CD1 4.36Å; L183-I203 HydrophobicContact CD2-CG2 4.04Å |
| 184 | D | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | 169 | -44.9 | -73.5 | 0 | 0 | 0 | 110.3 | E140 V141 P142 L172 S173 R175 | E140-D184 HydrophobicContact CB-CB 4.25Å; V141-D184 WeakPolarHBondContact O-CA 3.34Å; P142-D184 WeakPolarHBondContact CA-OD1 3.32Å; L172-D184 WeakPolarHBondContact CA-O 3.33Å; S173-D184 PolarHBondContact N-O 2.73Å; S173-D184 PolarHBondContact O-N 3.29Å; R175-D184 IonicContact CZ-OD1 2.85Å; R175-D184 IonicContact CZ-OD2 3.77Å; R175-D184 IonicContact NH1-OD1 2.99Å; R175-D184 PolarHBondContact NH1-OD1 2.8Å; R175-D184 IonicContact NH1-OD2 2.74Å; R175-D184 PolarHBondContact NH1-OD2 3.48Å; R175-D184 IonicContact NH2-OD1 3.87Å |
| 185 | L | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.9 | 168.8 | -171.2 | 69.2 | 0 | 0 | 0 | 108.7 | L129 E140 V141 L143 F170 L172 L201 V221 | L129-L185 HydrophobicContact CD1-CD2 4.19Å; E140-L185 CarbonylContact C-O 3.28Å; V141-L185 HydrophobicContact CB-CB 4.48Å; V141-L185 PolarHBondContact N-O 2.9Å; V141-L185 PolarHBondContact O-N 3.35Å; L143-L185 HydrophobicContact CD1-CB 3.87Å; L143-L185 HydrophobicContact CG-CB 4.07Å; F170-L185 HydrophobicContact CB-CD1 3.66Å; F170-L185 HydrophobicContact CB-CG 4.2Å; F170-L185 HydrophobicContact CD1-CD1 4.32Å; F170-L185 HydrophobicContact CD1-CD2 3.89Å; F170-L185 HydrophobicContact CD1-CG 3.95Å; F170-L185 HydrophobicContact CE1-CD2 4.32Å; F170-L185 HydrophobicContact CG-CD1 4.13Å; F170-L185 HydrophobicContact CG-CD2 4.29Å; F170-L185 HydrophobicContact CG-CG 4.28Å; L172-L185 HydrophobicContact CD2-CD1 3.82Å; L185-L201 HydrophobicContact CD1-CD1 3.71Å; L185-L201 HydrophobicContact CD2-CD1 3.99Å; L185-V221 HydrophobicContact CD2-CG2 4.12Å |
| 186 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.7 | -177.8 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | S139 E140 F170 R171 S173 N188 | S139-V186 WeakPolarHBondContact O-CA 3.39Å; E140-V186 HydrophobicContact CB-CG2 4.27Å; E140-V186 HydrophobicContact CG-CG1 4.37Å; E140-V186 HydrophobicContact CG-CG2 3.78Å; F170-V186 CarbonylContact C-O 3.59Å; F170-V186 VanDerWaalsContact CA-O 3.29Å; F170-V186 WeakPolarHBondContact CA-O 3.39Å; R171-V186 HydrophobicContact CG-CB 3.79Å; R171-V186 HydrophobicContact CG-CG1 4.29Å; R171-V186 PolarHBondContact N-O 3.5Å; R171-V186 PolarHBondContact O-N 3.09Å; S173-V186 VanDerWaalsContact CB-CG2 3.48Å; V186-N188 PolarHBondContact O-N 2.95Å |
| 187 | I | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.5 | 175.3 | -55.6 | -173 | 0 | 0 | 0 | 109 | L131 A135 D138 S139 F170 S189 L191 | L131-I187 HydrophobicContact CD1-CD1 4.36Å; A135-I187 HydrophobicContact CB-CD1 3.25Å; D138-I187 WeakPolarHBondContact CA-O 3.33Å; D138-I187 PolarHBondContact N-O 3.01Å; S139-I187 PolarHBondContact O-N 3.21Å; S139-I187 VanDerWaalsContact O-N 3.11Å; S139-I187 WeakPolarHBondContact OG-CD1 3.39Å; F170-I187 HydrophobicContact CE1-CG1 4.38Å; I187-S189 WeakPolarHBondContact CG2-O 3.26Å; I187-L191 HydrophobicContact CD1-CD1 3.95Å; I187-L191 HydrophobicContact CG1-CD1 4.5Å; I187-L191 HydrophobicContact CG2-CD1 4.15Å; I187-L191 HydrophobicContact CG2-CG 4.16Å |
| 188 | N | 96.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 59 Ų | 59 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | trans | -114.7 | -10.4 | -171 | -173 | 66.9 | 0 | 0 | 0 | 113.3 | L137 N168 A169 R171 V186 | L137-N188 VanDerWaalsContact CD1-C 3.41Å; N168-N188 WeakPolarHBondContact O-CB 3.37Å; N168-N188 PolarHBondContact O-ND2 2.86Å; A169-N188 PolarHBondContact O-N 3.17Å; R171-N188 HydrophobicContact CB-CB 4.19Å; R171-N188 WeakPolarHBondContact CD-OD1 3.49Å; R171-N188 HydrophobicContact CG-CB 4.08Å; V186-N188 PolarHBondContact O-N 2.95Å | ||
| 189 | S | 93.8 | Very high | 95.6 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -142 | 168.3 | 168.3 | 74.5 | 0 | 0 | 0 | 0 | 110.8 | A169 I187 | A169-S189 WeakPolarHBondContact CA-OG 3.38Å; A169-S189 PolarHBondContact O-N 3.23Å; I187-S189 WeakPolarHBondContact CG2-O 3.26Å |
| 190 | E | 92.9 | Very high | 96.2 | Very high | 185 Ų | 185 | 54.3 Ų | 54.3 | 86% | 0.864 | 26% | 0.256 | S | S | * | . | trans | -57.4 | 138.3 | 164.9 | -65.8 | 175.8 | 176.1 | 0 | 0 | 109.3 | ||||
| 191 | L | 95.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | trans | -104.1 | 142.7 | 178.4 | -60.6 | 176.7 | 0 | 0 | 0 | 107.7 | E133 A169 F170 I187 L223 | E133-L191 HydrophobicContact CB-CB 4.44Å; A169-L191 HydrophobicContact CB-CD2 4Å; F170-L191 HydrophobicContact CE1-CD1 4.27Å; F170-L191 HydrophobicContact CE1-CD2 4.28Å; F170-L191 HydrophobicContact CE2-CD2 4.46Å; F170-L191 HydrophobicContact CZ-CD1 4.3Å; F170-L191 HydrophobicContact CZ-CD2 3.87Å; I187-L191 HydrophobicContact CD1-CD1 3.95Å; I187-L191 HydrophobicContact CG1-CD1 4.5Å; I187-L191 HydrophobicContact CG2-CD1 4.15Å; I187-L191 HydrophobicContact CG2-CG 4.16Å; L191-L223 HydrophobicContact CB-CD1 3.97Å; L191-L223 HydrophobicContact CB-CD2 4.46Å; L191-L223 HydrophobicContact CD1-CD2 3.9Å | ||
| 192 | D | 96 | Very high | 96.6 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 26% | 0.262 | S | S | . | . | trans | -144.9 | 114.6 | -176.1 | 169.3 | -11.8 | 0 | 0 | 0 | 106.5 | E194 F195 R196 | D192-E194 WeakPolarHBondContact OD1-CA 3.47Å; D192-E194 WeakPolarHBondContact OD1-CB 3.49Å; D192-E194 PolarHBondContact OD1-N 2.93Å; D192-F195 HydrophobicContact CB-CB 4.06Å; D192-F195 PolarHBondContact OD1-N 2.82Å; D192-F195 WeakPolarHBondContact OD2-CB 3.35Å; D192-R196 PolarHBondContact O-N 2.63Å | ||
| 193 | R | 97.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -39.2 | -176.4 | -171.9 | -153.4 | 69.2 | 82 | -2.6 | 110.6 | E133 F195 R196 E197 L223 D225 Q262 | E133-R193 WeakPolarHBondContact OE2-CB 3.45Å; E133-R193 PolarHBondContact OE2-N 3.1Å; R193-F195 PolarHBondContact O-N 2.9Å; R193-R196 CarbonylContact O-C 3.48Å; R193-R196 PolarHBondContact O-N 2.87Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R193-E197 HydrophobicContact CG-CB 4.03Å; R193-E197 PolarHBondContact O-N 2.9Å; R193-E197 VanDerWaalsContact O-N 3.14Å; R193-L223 HydrophobicContact CB-CB 4.17Å; R193-L223 HydrophobicContact CG-CB 4.11Å; R193-D225 IonicContact CZ-OD1 3.41Å; R193-D225 IonicContact NE-OD1 2.68Å; R193-D225 PolarHBondContact NE-OD1 2.8Å; R193-D225 IonicContact NH2-OD1 3.43Å; R193-D225 PolarHBondContact NH2-OD1 2.78Å; R193-Q262 PolarHBondContact NH2-O 2.83Å |
| 194 | E | 96.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.8 | 178.1 | -71 | 60.3 | -124.4 | 0 | 0 | 111 | D192 Q262 | D192-E194 WeakPolarHBondContact OD1-CA 3.47Å; D192-E194 WeakPolarHBondContact OD1-CB 3.49Å; D192-E194 PolarHBondContact OD1-N 2.93Å; E194-Q262 HydrophobicContact CG-CB 3.69Å |
| 195 | F | 95.4 | Very high | 96.7 | Very high | 133 Ų | 133 | 52.9 Ų | 52.9 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -47.9 | 169.3 | -176.7 | -103.4 | 0 | 0 | 0 | 112.7 | D192 R193 | D192-F195 HydrophobicContact CB-CB 4.06Å; D192-F195 PolarHBondContact OD1-N 2.82Å; D192-F195 WeakPolarHBondContact OD2-CB 3.35Å; R193-F195 PolarHBondContact O-N 2.9Å |
| 196 | R | 95.3 | Very high | 96.7 | Very high | 120 Ų | 120 | 53.6 Ų | 53.6 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | trans | -154.3 | 100.4 | -176.8 | -170.2 | 73.1 | 179.9 | -158.7 | 1.2 | 113.4 | D192 R193 I198 Y199 L223 | D192-R196 PolarHBondContact O-N 2.63Å; R193-R196 CarbonylContact O-C 3.48Å; R193-R196 PolarHBondContact O-N 2.87Å; R193-R196 VanDerWaalsContact O-N 3.16Å; R196-I198 PolarHBondContact NE-O 3.42Å; R196-I198 VanDerWaalsContact NE-O 3.1Å; R196-I198 PolarHBondContact O-N 3.43Å; R196-Y199 HydrophobicContact CB-CE2 4.16Å; R196-Y199 HydrophobicContact CG-CD2 4.4Å; R196-Y199 HydrophobicContact CG-CE1 4.17Å; R196-Y199 HydrophobicContact CG-CE2 3.83Å; R196-Y199 WeakPolarHBondContact O-CE2 3.49Å; R196-L223 WeakPolarHBondContact O-CD1 3.17Å | ||
| 197 | E | 96 | Very high | 96.7 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -67.3 | -31 | 178.4 | 56.2 | 164.4 | -146.2 | 0 | 0 | 116 | R193 L223 | R193-E197 HydrophobicContact CG-CB 4.03Å; R193-E197 PolarHBondContact O-N 2.9Å; R193-E197 VanDerWaalsContact O-N 3.14Å; E197-L223 PolarHBondContact O-N 2.91Å |
| 198 | I | 97.2 | Very high | 96.6 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 28% | 0.282 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 133.1 | -169 | -61.7 | 173.7 | 0 | 0 | 0 | 112.3 | R196 I200 N220 V221 T222 | R196-I198 PolarHBondContact NE-O 3.42Å; R196-I198 VanDerWaalsContact NE-O 3.1Å; R196-I198 PolarHBondContact O-N 3.43Å; I198-I200 HydrophobicContact CG2-CG1 3.99Å; I198-N220 WeakPolarHBondContact CG2-OD1 3.32Å; I198-V221 WeakPolarHBondContact CA-O 3.41Å; I198-T222 HydrophobicContact CG1-CG2 4.17Å |
| 199 | Y | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.5 | 171.5 | -60.5 | -104.1 | 0 | 0 | 0 | 110.4 | V166 A169 F170 R196 V221 L223 | V166-Y199 HydrophobicContact CB-CD1 4.48Å; V166-Y199 HydrophobicContact CB-CE1 4.02Å; A169-Y199 HydrophobicContact CB-CE1 3.84Å; F170-Y199 HydrophobicContact CD2-CD1 4.41Å; F170-Y199 AromaticContact CE2-CD1 3.78Å; F170-Y199 HydrophobicContact CE2-CD1 3.78Å; F170-Y199 AromaticContact CE2-CD2 3.99Å; F170-Y199 HydrophobicContact CE2-CD2 3.99Å; F170-Y199 HydrophobicContact CE2-CE1 4.2Å; F170-Y199 HydrophobicContact CE2-CE2 4.42Å; F170-Y199 AromaticContact CE2-CG 3.67Å; F170-Y199 HydrophobicContact CE2-CG 3.67Å; F170-Y199 HydrophobicContact CZ-CD2 4.38Å; F170-Y199 HydrophobicContact CZ-CG 4.47Å; R196-Y199 HydrophobicContact CB-CE2 4.16Å; R196-Y199 HydrophobicContact CG-CD2 4.4Å; R196-Y199 HydrophobicContact CG-CE1 4.17Å; R196-Y199 HydrophobicContact CG-CE2 3.83Å; R196-Y199 WeakPolarHBondContact O-CE2 3.49Å; Y199-V221 PolarHBondContact N-O 2.73Å; Y199-V221 PolarHBondContact O-N 2.89Å; Y199-L223 HydrophobicContact CE2-CD1 4.05Å; Y199-L223 HydrophobicContact CE2-CG 4.34Å |
| 200 | I | 97.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 57.2 Ų | 57.2 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 88.9 | 175.6 | -55.3 | 175.9 | 0 | 0 | 0 | 108.1 | G164 I198 T218 V219 | G164-I200 WeakPolarHBondContact CA-O 3.37Å; I198-I200 HydrophobicContact CG2-CG1 3.99Å; I200-T218 HydrophobicContact CG2-CG2 3.78Å; I200-V219 CarbonylContact C-O 3.56Å; I200-V219 WeakPolarHBondContact CA-O 3.39Å |
| 201 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 138.9 | -178.2 | -50.6 | 179.3 | 0 | 0 | 0 | 110.6 | I161 G163 G164 N165 F170 L185 T218 V219 V221 | I161-L201 HydrophobicContact CG2-CD2 4.5Å; G163-L201 WeakPolarHBondContact O-CA 3.25Å; G164-L201 WeakPolarHBondContact O-CD2 3.43Å; N165-L201 HydrophobicContact CB-CD2 3.94Å; F170-L201 HydrophobicContact CB-CD1 4.32Å; F170-L201 HydrophobicContact CD2-CD1 3.94Å; F170-L201 HydrophobicContact CD2-CD2 4.23Å; F170-L201 HydrophobicContact CG-CD1 4.16Å; L185-L201 HydrophobicContact CD1-CD1 3.71Å; L185-L201 HydrophobicContact CD2-CD1 3.99Å; L201-T218 CarbonylContact O-C 3.59Å; L201-T218 WeakPolarHBondContact O-CA 3.27Å; L201-V219 HydrophobicContact CB-CB 4.25Å; L201-V219 PolarHBondContact N-O 2.84Å; L201-V219 PolarHBondContact O-N 3.18Å; L201-V221 HydrophobicContact CD1-CG2 4.32Å |
| 202 | K | 98.1 | Very high | 96.6 | Very high | 114 Ų | 114 | 55.5 Ų | 55.5 | 50% | 0.496 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 117.2 | 166.7 | -67.8 | -173.6 | 179.9 | -176.2 | 0 | 108.4 | I161 A162 G163 T216 | I161-K202 CarbonylContact C-O 3.57Å; A162-K202 HydrophobicContact CB-CB 4.34Å; A162-K202 PolarHBondContact N-O 3.32Å; G163-K202 PolarHBondContact O-N 3.45Å; K202-T216 HydrophobicContact CB-CG2 4.11Å |
| 203 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.9 | -178.9 | -59.1 | 172.6 | 0 | 0 | 0 | 108.3 | L143 Y159 E160 I161 L172 L183 T216 L217 V219 | L143-I203 HydrophobicContact CD1-CD1 3.45Å; L143-I203 VanDerWaalsContact CD1-CD1 3.45Å; Y159-I203 HydrophobicContact CD1-CG2 4.41Å; E160-I203 CarbonylContact O-C 3.54Å; E160-I203 WeakPolarHBondContact O-CA 3.31Å; I161-I203 HydrophobicContact CG1-CG1 4.43Å; L172-I203 HydrophobicContact CD1-CG2 3.87Å; L172-I203 HydrophobicContact CD2-CD1 3.92Å; L183-I203 HydrophobicContact CD2-CG2 4.04Å; I203-T216 CarbonylContact O-C 3.57Å; I203-T216 WeakPolarHBondContact O-CA 3.25Å; I203-L217 HydrophobicContact CB-CB 4.38Å; I203-L217 PolarHBondContact N-O 2.81Å; I203-L217 PolarHBondContact O-N 2.99Å; I203-V219 HydrophobicContact CD1-CG2 3.77Å |
| 204 | N | 98.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.053 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 138.6 | 174.1 | -68.4 | -20.9 | 0 | 0 | 0 | 109.9 | Y159 E160 A162 F206 D215 T216 | Y159-N204 CarbonylContact C-O 3.54Å; Y159-N204 VanDerWaalsContact CA-O 3.22Å; Y159-N204 WeakPolarHBondContact CA-O 3.42Å; E160-N204 PolarHBondContact N-O 2.84Å; E160-N204 PolarHBondContact O-N 3.38Å; A162-N204 WeakPolarHBondContact CB-ND2 3.36Å; N204-F206 HydrophobicContact CB-CD2 4.13Å; N204-F206 HydrophobicContact CB-CE2 3.51Å; N204-F206 HydrophobicContact CB-CZ 3.87Å; N204-D215 WeakPolarHBondContact CA-O 3.38Å; N204-T216 PolarHBondContact OD1-OG1 2.88Å |
| 205 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 136.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P119 F121 A146 V156 Y159 R214 D215 | P119-A205 HydrophobicContact CB-CB 3.88Å; F121-A205 HydrophobicContact CE2-CB 3.68Å; F121-A205 HydrophobicContact CZ-CB 3.72Å; A146-A205 HydrophobicContact CB-CB 3.5Å; V156-A205 HydrophobicContact CG1-CB 4.38Å; Y159-A205 HydrophobicContact CD1-CB 3.71Å; Y159-A205 HydrophobicContact CE1-CB 3.57Å; A205-R214 WeakPolarHBondContact O-CA 3.18Å; A205-R214 WeakPolarHBondContact O-CB 3.4Å; A205-D215 PolarHBondContact N-O 2.8Å; A205-D215 PolarHBondContact O-N 2.85Å |
| 206 | F | 97.9 | Very high | 96.9 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141.1 | 178.2 | -63.6 | -91.5 | 0 | 0 | 0 | 111.1 | Q157 R158 E160 N204 P212 L213 R214 | Q157-F206 PolarHBondContact N-O 2.93Å; R158-F206 HydrophobicContact CG-CB 3.85Å; R158-F206 HydrophobicContact CG-CD2 4.09Å; R158-F206 HydrophobicContact CG-CG 4.38Å; R158-F206 PolarHBondContact N-O 3.18Å; R158-F206 PolarHBondContact O-N 3.34Å; E160-F206 HydrophobicContact CB-CE2 4.04Å; N204-F206 HydrophobicContact CB-CD2 4.13Å; N204-F206 HydrophobicContact CB-CE2 3.51Å; N204-F206 HydrophobicContact CB-CZ 3.87Å; F206-P212 HydrophobicContact CD1-CB 4.26Å; F206-P212 HydrophobicContact CD1-CG 4.27Å; F206-L213 WeakPolarHBondContact CA-O 3.42Å; F206-R214 HydrophobicContact CD1-CB 3.82Å; F206-R214 HydrophobicContact CE1-CB 4.05Å; F206-R214 HydrophobicContact CE1-CG 4.43Å; F206-R214 HydrophobicContact CG-CB 4.41Å |
| 207 | D | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -76.7 | -177.4 | 164.7 | 63.5 | 23.4 | 0 | 0 | 0 | 111.5 | N115 P119 Y154 R158 G209 P212 L213 | N115-D207 PolarHBondContact ND2-OD2 3.29Å; N115-D207 VanDerWaalsContact OD1-CG 3.31Å; N115-D207 PolarHBondContact OD1-OD2 3.11Å; P119-D207 HydrophobicContact CG-CB 3.97Å; Y154-D207 WeakPolarHBondContact O-CB 3.29Å; R158-D207 PolarHBondContact NH1-O 3.16Å; D207-G209 PolarHBondContact OD1-N 3.19Å; D207-P212 WeakPolarHBondContact OD1-CA 3.44Å; D207-P212 WeakPolarHBondContact OD1-CB 3.42Å; D207-L213 PolarHBondContact N-O 2.78Å; D207-L213 PolarHBondContact OD1-N 3.13Å; D207-L213 WeakPolarHBondContact OD2-CA 3.42Å; D207-L213 WeakPolarHBondContact OD2-CB 3.41Å; D207-L213 WeakPolarHBondContact OD2-CG 3.18Å; D207-L213 PolarHBondContact OD2-N 3.45Å | ||
| 208 | G | 95.7 | Very high | 97.1 | Very high | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -95.4 | 10.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P153 | P153-G208 WeakPolarHBondContact O-CA 3.48Å; P153-G208 PolarHBondContact O-N 2.85Å; P153-G208 VanDerWaalsContact O-N 3.14Å |
| 209 | G | 94.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | trans | -64.9 | 162.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | N115 D207 P211 P212 | N115-G209 WeakPolarHBondContact OD1-CA 3.41Å; N115-G209 PolarHBondContact OD1-N 3.14Å; D207-G209 PolarHBondContact OD1-N 3.19Å; G209-P211 VanDerWaalsContact C-C 3.46Å; G209-P211 CarbonylContact C-O 3.56Å; G209-P211 CarbonylContact O-C 3.58Å; G209-P212 WeakPolarHBondContact O-CA 3.39Å; G209-P212 VanDerWaalsContact O-N 3.12Å | ||
| 210 | V | 94.5 | Very high | 97.2 | Very high | 150 Ų | 150 | 45.6 Ų | 45.6 | 91% | 0.909 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -129.2 | 101.4 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 211 | P | 94.1 | Very high | 97.2 | Very high | 108 Ų | 108 | 41 Ų | 41 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | S | Bend | cis | -70.9 | 154.3 | -1.9 | 32.1 | -35.8 | 0 | 0 | 0 | 112.6 | G209 | G209-P211 VanDerWaalsContact C-C 3.46Å; G209-P211 CarbonylContact C-O 3.56Å; G209-P211 CarbonylContact O-C 3.58Å |
| 212 | P | 95.4 | Very high | 97.1 | Very high | 53 Ų | 53 | 42.8 Ų | 42.8 | 34% | 0.344 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 136.8 | -179.2 | 29.6 | -34.3 | 0 | 0 | 0 | 111.7 | F206 D207 G209 | F206-P212 HydrophobicContact CD1-CB 4.26Å; F206-P212 HydrophobicContact CD1-CG 4.27Å; D207-P212 WeakPolarHBondContact OD1-CA 3.44Å; D207-P212 WeakPolarHBondContact OD1-CB 3.42Å; G209-P212 WeakPolarHBondContact O-CA 3.39Å; G209-P212 VanDerWaalsContact O-N 3.12Å |
| 213 | L | 97.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 38 Ų | 38 | 35% | 0.346 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -81.5 | 159.2 | 166.8 | -48.8 | 174.8 | 0 | 0 | 0 | 109.7 | N115 N117 A118 F206 D207 | N115-L213 VanDerWaalsContact ND2-CD1 3.32Å; N115-L213 WeakPolarHBondContact ND2-CD1 3.45Å; N115-L213 WeakPolarHBondContact ND2-CG 3.42Å; N117-L213 WeakPolarHBondContact O-CD1 3.42Å; A118-L213 HydrophobicContact CB-CB 3.63Å; A118-L213 HydrophobicContact CB-CD1 4Å; A118-L213 HydrophobicContact CB-CG 4.43Å; F206-L213 WeakPolarHBondContact CA-O 3.42Å; D207-L213 PolarHBondContact N-O 2.78Å; D207-L213 PolarHBondContact OD1-N 3.13Å; D207-L213 WeakPolarHBondContact OD2-CA 3.42Å; D207-L213 WeakPolarHBondContact OD2-CB 3.41Å; D207-L213 WeakPolarHBondContact OD2-CG 3.18Å; D207-L213 PolarHBondContact OD2-N 3.45Å |
| 214 | R | 96.8 | Very high | 97 | Very high | 152 Ų | 152 | 42.1 Ų | 42.1 | 57% | 0.574 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.6 | -175.9 | 69.3 | 178.6 | -173.2 | -170.7 | -1.9 | 113.1 | A205 F206 | A205-R214 WeakPolarHBondContact O-CA 3.18Å; A205-R214 WeakPolarHBondContact O-CB 3.4Å; F206-R214 HydrophobicContact CD1-CB 3.82Å; F206-R214 HydrophobicContact CE1-CB 4.05Å; F206-R214 HydrophobicContact CE1-CG 4.43Å; F206-R214 HydrophobicContact CG-CB 4.41Å |
| 215 | D | 97.7 | Very high | 96.9 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 161.6 | 162 | -170.8 | 23.1 | 0 | 0 | 0 | 109.8 | P119 F121 K123 N204 A205 | P119-D215 WeakPolarHBondContact O-CB 3.35Å; F121-D215 HydrophobicContact CD2-CB 4.24Å; F121-D215 PolarHBondContact N-OD2 3.28Å; K123-D215 IonicContact NZ-OD1 2.7Å; K123-D215 PolarHBondContact NZ-OD1 3Å; K123-D215 IonicContact NZ-OD2 3.52Å; K123-D215 PolarHBondContact NZ-OD2 3.3Å; N204-D215 WeakPolarHBondContact CA-O 3.38Å; A205-D215 PolarHBondContact N-O 2.8Å; A205-D215 PolarHBondContact O-N 2.85Å |
| 216 | T | 97.9 | Very high | 96.8 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.6 | -174.1 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | K202 I203 N204 | K202-T216 HydrophobicContact CB-CG2 4.11Å; I203-T216 CarbonylContact O-C 3.57Å; I203-T216 WeakPolarHBondContact O-CA 3.25Å; N204-T216 PolarHBondContact OD1-OG1 2.88Å |
| 217 | L | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132 | 168.6 | -179 | 61.8 | 0 | 0 | 0 | 110 | F121 A125 V127 I203 V219 | F121-L217 HydrophobicContact CD1-CB 3.99Å; F121-L217 HydrophobicContact CD1-CD2 4.05Å; F121-L217 HydrophobicContact CD1-CG 4.41Å; F121-L217 HydrophobicContact CD2-CB 3.75Å; F121-L217 HydrophobicContact CE1-CB 3.89Å; F121-L217 HydrophobicContact CE1-CD2 3.88Å; F121-L217 HydrophobicContact CE1-CG 4.46Å; F121-L217 HydrophobicContact CE2-CB 3.64Å; F121-L217 HydrophobicContact CG-CB 3.91Å; F121-L217 HydrophobicContact CG-CD1 4.49Å; F121-L217 HydrophobicContact CZ-CB 3.7Å; F121-L217 HydrophobicContact CZ-CD2 4.41Å; A125-L217 HydrophobicContact CB-CD1 4.36Å; V127-L217 HydrophobicContact CG2-CD1 4.01Å; V127-L217 HydrophobicContact CG2-CD2 4.4Å; I203-L217 HydrophobicContact CB-CB 4.38Å; I203-L217 PolarHBondContact N-O 2.81Å; I203-L217 PolarHBondContact O-N 2.99Å; L217-V219 HydrophobicContact CD2-CG2 3.95Å; L217-V219 HydrophobicContact CG-CG2 3.94Å |
| 218 | T | 98.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.7 | 170.1 | -57.8 | 0 | 0 | 0 | 0 | 110 | A125 Y126 V127 I200 L201 | A125-T218 PolarHBondContact O-N 2.68Å; Y126-T218 CarbonylContact C-O 3.47Å; Y126-T218 VanDerWaalsContact CA-O 3.26Å; Y126-T218 WeakPolarHBondContact CA-O 3.14Å; Y126-T218 HydrophobicContact CD2-CG2 4.22Å; V127-T218 PolarHBondContact N-O 3.15Å; I200-T218 HydrophobicContact CG2-CG2 3.78Å; L201-T218 CarbonylContact O-C 3.59Å; L201-T218 WeakPolarHBondContact O-CA 3.27Å |
| 219 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.1 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | V127 L129 L143 I200 L201 I203 L217 V221 | V127-V219 HydrophobicContact CB-CG1 4.38Å; V127-V219 HydrophobicContact CB-CG2 4.42Å; V127-V219 CarbonylContact O-C 3.59Å; V127-V219 WeakPolarHBondContact O-CA 3.37Å; L129-V219 HydrophobicContact CD1-CG1 3.71Å; L129-V219 HydrophobicContact CG-CG1 4.09Å; L143-V219 HydrophobicContact CD1-CG2 4.15Å; L143-V219 HydrophobicContact CD2-CG1 4.24Å; L143-V219 HydrophobicContact CD2-CG2 4.16Å; I200-V219 CarbonylContact C-O 3.56Å; I200-V219 WeakPolarHBondContact CA-O 3.39Å; L201-V219 HydrophobicContact CB-CB 4.25Å; L201-V219 PolarHBondContact N-O 2.84Å; L201-V219 PolarHBondContact O-N 3.18Å; I203-V219 HydrophobicContact CD1-CG2 3.77Å; L217-V219 HydrophobicContact CD2-CG2 3.95Å; L217-V219 HydrophobicContact CG-CG2 3.94Å; V219-V221 HydrophobicContact CG1-CG2 3.92Å |
| 220 | N | 97.9 | Very high | 96.7 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 105.1 | 174.6 | -175.7 | 14.4 | 0 | 0 | 0 | 109.3 | Y126 V127 A128 L129 I198 | Y126-N220 HydrophobicContact CE2-CB 3.93Å; Y126-N220 WeakPolarHBondContact OH-CB 3.44Å; Y126-N220 PolarHBondContact OH-ND2 2.79Å; V127-N220 PolarHBondContact O-N 2.97Å; A128-N220 CarbonylContact C-O 3.54Å; A128-N220 WeakPolarHBondContact CA-O 3.47Å; L129-N220 PolarHBondContact N-O 3.43Å; I198-N220 WeakPolarHBondContact CG2-OD1 3.32Å |
| 221 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.2 | 177 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | L129 L131 F170 L185 I198 Y199 L201 V219 L223 | L129-V221 HydrophobicContact CB-CG2 4.4Å; L129-V221 HydrophobicContact CD1-CG2 4.46Å; L129-V221 WeakPolarHBondContact O-CA 3.24Å; L131-V221 HydrophobicContact CB-CG1 4.35Å; L131-V221 HydrophobicContact CD1-CG1 3.61Å; L131-V221 HydrophobicContact CG-CG1 3.87Å; F170-V221 HydrophobicContact CZ-CG1 4.05Å; L185-V221 HydrophobicContact CD2-CG2 4.12Å; I198-V221 WeakPolarHBondContact CA-O 3.41Å; Y199-V221 PolarHBondContact N-O 2.73Å; Y199-V221 PolarHBondContact O-N 2.89Å; L201-V221 HydrophobicContact CD1-CG2 4.32Å; V219-V221 HydrophobicContact CG1-CG2 3.92Å; V221-L223 HydrophobicContact CG1-CD2 4.29Å |
| 222 | T | 97.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 24% | 0.239 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.3 | 172 | 53.3 | 0 | 0 | 0 | 0 | 108.8 | L129 Q130 L131 I198 | L129-T222 PolarHBondContact O-N 3.32Å; L129-T222 PolarHBondContact O-OG1 3.31Å; Q130-T222 WeakPolarHBondContact CA-O 3.16Å; Q130-T222 VanDerWaalsContact CG-OG1 3.27Å; Q130-T222 WeakPolarHBondContact CG-OG1 3.41Å; L131-T222 PolarHBondContact N-O 3.27Å; I198-T222 HydrophobicContact CG1-CG2 4.17Å |
| 223 | L | 97.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133 | 176.6 | -60.3 | -169.8 | 0 | 0 | 0 | 110.9 | L131 L191 R193 R196 E197 Y199 V221 | L131-L223 HydrophobicContact CB-CD2 4.14Å; L131-L223 CarbonylContact O-C 3.53Å; L131-L223 VanDerWaalsContact O-CA 3.25Å; L131-L223 WeakPolarHBondContact O-CA 3.07Å; L191-L223 HydrophobicContact CB-CD1 3.97Å; L191-L223 HydrophobicContact CB-CD2 4.46Å; L191-L223 HydrophobicContact CD1-CD2 3.9Å; R193-L223 HydrophobicContact CB-CB 4.17Å; R193-L223 HydrophobicContact CG-CB 4.11Å; R196-L223 WeakPolarHBondContact O-CD1 3.17Å; E197-L223 PolarHBondContact O-N 2.91Å; Y199-L223 HydrophobicContact CE2-CD1 4.05Å; Y199-L223 HydrophobicContact CE2-CG 4.34Å; V221-L223 HydrophobicContact CG1-CD2 4.29Å |
| 224 | M | 96.7 | Very high | 96.7 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 42% | 0.424 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 126.1 | 172.8 | -66.7 | -60 | -45.9 | 0 | 0 | 108.9 | Q130 L131 E133 | Q130-M224 HydrophobicContact CB-CG 3.99Å; Q130-M224 HydrophobicContact CB-SD 4.27Å; Q130-M224 HydrophobicContact CG-CG 4.36Å; Q130-M224 HydrophobicContact CG-SD 4.02Å; L131-M224 PolarHBondContact O-N 3.44Å; E133-M224 PolarHBondContact N-O 3.33Å |
| 225 | D | 96.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 42 Ų | 42 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 137.8 | 179.2 | -172.4 | 80 | 0 | 0 | 0 | 112.8 | E133 R193 A264 N267 | E133-D225 WeakPolarHBondContact OE1-CA 3.18Å; R193-D225 IonicContact CZ-OD1 3.41Å; R193-D225 IonicContact NE-OD1 2.68Å; R193-D225 PolarHBondContact NE-OD1 2.8Å; R193-D225 IonicContact NH2-OD1 3.43Å; R193-D225 PolarHBondContact NH2-OD1 2.78Å; D225-A264 HydrophobicContact CB-CB 3.96Å; D225-A264 VanDerWaalsContact CG-N 3.3Å; D225-A264 WeakPolarHBondContact OD1-CB 3.45Å; D225-A264 PolarHBondContact OD1-N 2.68Å; D225-A264 PolarHBondContact OD2-N 2.8Å; D225-N267 VanDerWaalsContact OD2-CB 3.29Å; D225-N267 WeakPolarHBondContact OD2-CB 3.21Å; D225-N267 PolarHBondContact OD2-ND2 2.91Å |
| 226 | V | 95.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | trans | -124.4 | 141.1 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | S132 E133 F134 D228 | S132-V226 VanDerWaalsContact OG-CG2 3.26Å; S132-V226 WeakPolarHBondContact OG-CG2 3.44Å; E133-V226 HydrophobicContact CG-CB 4.05Å; E133-V226 HydrophobicContact CG-CG2 3.95Å; E133-V226 PolarHBondContact OE1-N 2.65Å; F134-V226 HydrophobicContact CB-CG2 4.29Å; F134-V226 HydrophobicContact CD1-CB 4.28Å; F134-V226 HydrophobicContact CD1-CG1 4.22Å; F134-V226 HydrophobicContact CD1-CG2 4.41Å; F134-V226 HydrophobicContact CD2-CB 4.4Å; F134-V226 HydrophobicContact CD2-CG1 3.59Å; F134-V226 HydrophobicContact CD2-CG2 4.44Å; F134-V226 HydrophobicContact CE1-CB 4.37Å; F134-V226 HydrophobicContact CE1-CG1 4.11Å; F134-V226 HydrophobicContact CE2-CB 4.48Å; F134-V226 HydrophobicContact CE2-CG1 3.46Å; F134-V226 VanDerWaalsContact CE2-CG1 3.46Å; F134-V226 HydrophobicContact CG-CB 4.3Å; F134-V226 HydrophobicContact CG-CG1 3.98Å; F134-V226 HydrophobicContact CG-CG2 4.13Å; F134-V226 HydrophobicContact CZ-CB 4.47Å; F134-V226 HydrophobicContact CZ-CG1 3.74Å; V226-D228 VanDerWaalsContact C-N 3.29Å; V226-D228 PolarHBondContact O-N 2.81Å | ||
| 227 | N | 96.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.134 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -76 | 77.6 | -178.6 | -162.5 | 76 | 0 | 0 | 0 | 111.1 | D263 N267 D314 Q318 L320 | N227-D263 VanDerWaalsContact CA-OD2 3.27Å; N227-D263 WeakPolarHBondContact CA-OD2 3.11Å; N227-N267 HydrophobicContact CB-CB 4.03Å; N227-N267 WeakPolarHBondContact OD1-CA 3.03Å; N227-N267 WeakPolarHBondContact OD1-CB 3.26Å; N227-N267 PolarHBondContact OD1-O 3.06Å; N227-D314 VanDerWaalsContact ND2-CG 3.3Å; N227-D314 PolarHBondContact ND2-OD1 2.74Å; N227-D314 PolarHBondContact ND2-OD2 2.81Å; N227-D314 VanDerWaalsContact OD1-CG 3.24Å; N227-D314 PolarHBondContact OD1-OD1 2.97Å; N227-D314 PolarHBondContact OD1-OD2 2.97Å; N227-Q318 PolarHBondContact ND2-O 3.27Å; N227-Q318 VanDerWaalsContact ND2-O 3.11Å; N227-L320 WeakPolarHBondContact O-CD1 3.38Å |
| 228 | D | 95 | Very high | 95 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | trans | -114.7 | -9.8 | -176.1 | 80.1 | -28.2 | 0 | 0 | 0 | 114 | F134 V226 D263 | F134-D228 HydrophobicContact CE1-CB 3.72Å; F134-D228 HydrophobicContact CZ-CB 3.44Å; F134-D228 VanDerWaalsContact CZ-CB 3.44Å; V226-D228 VanDerWaalsContact C-N 3.29Å; V226-D228 PolarHBondContact O-N 2.81Å; D228-D263 PolarHBondContact N-OD2 3.34Å | ||
| 229 | N | 95.7 | Very high | 94.4 | Very high | 54 Ų | 54 | 43.2 Ų | 43.2 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -100.5 | 132.7 | 169 | -62.5 | -81.5 | 0 | 0 | 0 | 110.6 | Q262 D263 L320 | N229-Q262 HydrophobicContact CB-CB 4.37Å; N229-D263 VanDerWaalsContact CB-OD1 3.24Å; N229-D263 WeakPolarHBondContact CB-OD1 3.17Å; N229-D263 PolarHBondContact N-OD1 3.44Å; N229-D263 PolarHBondContact N-OD2 3.48Å; N229-D263 VanDerWaalsContact N-OD2 3.17Å; N229-D263 PolarHBondContact ND2-OD1 3.49Å; N229-L320 WeakPolarHBondContact O-CD1 3.41Å |
| 230 | A | 95.4 | Very high | 94 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -87.1 | 150.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | V232 L320 | A230-V232 WeakPolarHBondContact O-CG2 3.24Å; A230-V232 PolarHBondContact O-N 2.75Å; A230-L320 HydrophobicContact CB-CB 3.69Å; A230-L320 HydrophobicContact CB-CD1 4.42Å |
| 231 | P | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 136.7 | 174.5 | -25.1 | 31.8 | 0 | 0 | 0 | 110.5 | A259 D261 V270 A312 D314 S322 | P231-A259 HydrophobicContact CB-CB 4.29Å; P231-D261 WeakPolarHBondContact CA-OD2 3.31Å; P231-D261 WeakPolarHBondContact CD-OD2 3.4Å; P231-D261 HydrophobicContact CG-CB 4.49Å; P231-D261 VanDerWaalsContact CG-OD2 3.23Å; P231-D261 WeakPolarHBondContact CG-OD2 3.44Å; P231-V270 HydrophobicContact CB-CG1 4.25Å; P231-V270 HydrophobicContact CB-CG2 3.93Å; P231-V270 HydrophobicContact CG-CG2 4.19Å; P231-A312 HydrophobicContact CB-CB 3.88Å; P231-D314 HydrophobicContact CG-CB 4.15Å; P231-S322 WeakPolarHBondContact O-CB 3.36Å; P231-S322 PolarHBondContact O-OG 2.9Å |
| 232 | V | 95.8 | Very high | 92.8 | Very high | 91 Ų | 91 | 50 Ų | 50 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.9 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | A230 A259 T260 | A230-V232 WeakPolarHBondContact O-CG2 3.24Å; A230-V232 PolarHBondContact O-N 2.75Å; V232-A259 CarbonylContact O-C 3.53Å; V232-A259 WeakPolarHBondContact O-CA 3.36Å; V232-T260 PolarHBondContact N-O 3.1Å; V232-T260 PolarHBondContact O-N 2.76Å |
| 233 | F | 95.2 | Very high | 91.8 | Very high | 18 Ų | 18 | 52.2 Ų | 52.2 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 141.7 | 171.7 | -73.4 | -84.2 | 0 | 0 | 0 | 111.4 | R235 Y238 V257 H258 A259 Y272 V310 A312 S322 A324 | F233-R235 WeakPolarHBondContact CB-O 3.49Å; F233-R235 PolarHBondContact O-N 3.17Å; F233-R235 VanDerWaalsContact O-N 3.16Å; F233-Y238 HydrophobicContact CD1-CE2 4.2Å; F233-V257 HydrophobicContact CD1-CB 4.38Å; F233-V257 HydrophobicContact CE1-CB 4.12Å; F233-V257 HydrophobicContact CE1-CG2 3.93Å; F233-H258 WeakPolarHBondContact CA-O 3.33Å; F233-A259 HydrophobicContact CD1-CB 3.89Å; F233-A259 HydrophobicContact CD2-CB 4.38Å; F233-A259 HydrophobicContact CE1-CB 4.12Å; F233-A259 HydrophobicContact CG-CB 4.04Å; F233-A259 HydrophobicContact CZ-CB 4.47Å; F233-Y272 HydrophobicContact CE1-CD1 4.19Å; F233-Y272 HydrophobicContact CE1-CE1 4.02Å; F233-Y272 HydrophobicContact CZ-CD1 4.41Å; F233-V310 HydrophobicContact CE1-CG1 4.31Å; F233-V310 HydrophobicContact CZ-CB 4.32Å; F233-V310 HydrophobicContact CZ-CG1 4.1Å; F233-A312 HydrophobicContact CD2-CB 4.34Å; F233-A312 HydrophobicContact CE1-CB 4.15Å; F233-A312 HydrophobicContact CE2-CB 3.47Å; F233-A312 VanDerWaalsContact CE2-CB 3.47Å; F233-A312 HydrophobicContact CZ-CB 3.37Å; F233-S322 WeakPolarHBondContact CD2-OG 3.27Å; F233-S322 WeakPolarHBondContact CE2-OG 3.26Å; F233-A324 HydrophobicContact CB-CB 4.09Å; F233-A324 HydrophobicContact CD1-CB 3.8Å; F233-A324 HydrophobicContact CD2-CB 3.71Å; F233-A324 HydrophobicContact CE1-CB 4.11Å; F233-A324 HydrophobicContact CE2-CB 4.02Å; F233-A324 HydrophobicContact CG-CB 3.58Å; F233-A324 HydrophobicContact CZ-CB 4.2Å |
| 234 | D | 94.4 | Very high | 90.9 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -63.6 | -20.7 | 175.2 | 75.6 | -40.3 | 0 | 0 | 0 | 112.6 | Y238 H258 | D234-Y238 WeakPolarHBondContact OD1-CE1 3.49Å; D234-Y238 PolarHBondContact OD1-OH 3.5Å; D234-H258 PolarHBondContact N-O 2.79Å |
| 235 | R | 90.8 | Very high | 90.1 | Very high | 137 Ų | 137 | 53.1 Ų | 53.1 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | trans | -142.7 | 140.1 | 175.5 | -56 | 179.1 | -169.5 | -160.2 | -0.9 | 111.2 | F233 R237 Y238 | F233-R235 WeakPolarHBondContact CB-O 3.49Å; F233-R235 PolarHBondContact O-N 3.17Å; F233-R235 VanDerWaalsContact O-N 3.16Å; R235-R237 VanDerWaalsContact C-N 3.26Å; R235-R237 PolarHBondContact O-N 3.46Å; R235-Y238 HydrophobicContact CB-CD1 4.48Å; R235-Y238 HydrophobicContact CB-CE1 4.1Å; R235-Y238 HydrophobicContact CB-CE2 4.44Å; R235-Y238 HydrophobicContact CG-CE1 4.32Å | ||
| 236 | P | 86 | Confident | 89.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -72 | -21.8 | 174.3 | 29.4 | -34.9 | 0 | 0 | 0 | 113 | A324 F325 V399 | P236-A324 WeakPolarHBondContact O-CA 3.07Å; P236-F325 PolarHBondContact O-N 3.2Å; P236-V399 HydrophobicContact CB-CG2 3.82Å |
| 237 | R | 87.2 | Confident | 88.7 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 133.1 | 178.7 | -174.8 | 179.5 | 179.5 | 93.7 | -1.5 | 111.3 | R235 E239 E307 F325 H374 | R235-R237 VanDerWaalsContact C-N 3.26Å; R235-R237 PolarHBondContact O-N 3.46Å; R237-E239 HydrophobicContact CG-CG 4.35Å; R237-E239 IonicContact CZ-OE1 2.9Å; R237-E239 IonicContact NE-OE1 2.8Å; R237-E239 PolarHBondContact NE-OE1 3.22Å; R237-E239 IonicContact NH2-OE1 2.64Å; R237-E307 IonicContact CZ-OE1 2.65Å; R237-E307 IonicContact NH1-OE1 2.77Å; R237-E307 PolarHBondContact NH1-OE1 3.03Å; R237-E307 IonicContact NH2-OE1 3.61Å; R237-F325 CarbonylContact C-O 3.6Å; R237-F325 WeakPolarHBondContact CA-O 3.29Å; R237-F325 HydrophobicContact CB-CB 4.39Å; R237-F325 HydrophobicContact CG-CB 4.08Å; R237-H374 WeakPolarHBondContact CD-CD2 3.44Å |
| 238 | Y | 89.7 | Confident | 88.3 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.7 | 170.4 | -54.5 | -97.5 | 0 | 0 | 0 | 109.5 | F233 D234 R235 I255 V257 H258 A324 F325 V326 A327 | F233-Y238 HydrophobicContact CD1-CE2 4.2Å; D234-Y238 WeakPolarHBondContact OD1-CE1 3.49Å; D234-Y238 PolarHBondContact OD1-OH 3.5Å; R235-Y238 HydrophobicContact CB-CD1 4.48Å; R235-Y238 HydrophobicContact CB-CE1 4.1Å; R235-Y238 HydrophobicContact CB-CE2 4.44Å; R235-Y238 HydrophobicContact CG-CE1 4.32Å; Y238-I255 HydrophobicContact CD1-CD1 4.32Å; Y238-I255 HydrophobicContact CG-CD1 4.45Å; Y238-V257 HydrophobicContact CD1-CG1 4.35Å; Y238-V257 HydrophobicContact CD2-CG1 3.69Å; Y238-V257 HydrophobicContact CE1-CB 4.42Å; Y238-V257 HydrophobicContact CE1-CG1 4.27Å; Y238-V257 HydrophobicContact CE2-CB 3.89Å; Y238-V257 HydrophobicContact CE2-CG1 3.57Å; Y238-V257 HydrophobicContact CG-CG1 4.08Å; Y238-H258 PolarHBondContact OH-N 2.85Å; Y238-H258 PolarHBondContact OH-O 3.11Å; Y238-A324 HydrophobicContact CD2-CB 4.19Å; Y238-A324 HydrophobicContact CE2-CB 3.72Å; Y238-F325 PolarHBondContact N-O 2.89Å; Y238-V326 HydrophobicContact CD2-CG2 4.04Å; Y238-V326 HydrophobicContact CG-CG2 4.46Å; Y238-V326 WeakPolarHBondContact O-CA 3.14Å; Y238-A327 PolarHBondContact O-N 2.84Å |
| 239 | E | 86.7 | Confident | 88.1 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.8 | 177.2 | -57 | -165.5 | 147.2 | 0 | 0 | 109.2 | R237 A327 H374 | R237-E239 HydrophobicContact CG-CG 4.35Å; R237-E239 IonicContact CZ-OE1 2.9Å; R237-E239 IonicContact NE-OE1 2.8Å; R237-E239 PolarHBondContact NE-OE1 3.22Å; R237-E239 IonicContact NH2-OE1 2.64Å; E239-A327 WeakPolarHBondContact CA-O 3.31Å; E239-A327 HydrophobicContact CG-CB 4.4Å; E239-H374 WeakPolarHBondContact OE1-CB 3.14Å |
| 240 | V | 88.6 | Confident | 87.9 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.9 | 175.6 | 87.6 | 0 | 0 | 0 | 0 | 110.2 | L242 I254 I255 A327 I328 S329 | V240-L242 HydrophobicContact CG1-CG 4.46Å; V240-L242 HydrophobicContact CG2-CD2 4.36Å; V240-I254 HydrophobicContact CG1-CG2 3.8Å; V240-I255 HydrophobicContact CB-CD1 4.32Å; V240-A327 PolarHBondContact N-O 3.18Å; V240-I328 HydrophobicContact CG1-CB 3.99Å; V240-I328 HydrophobicContact CG1-CG1 3.88Å; V240-I328 HydrophobicContact CG1-CG2 3.59Å; V240-S329 PolarHBondContact O-N 3.4Å |
| 241 | H | 85.5 | Confident | 87.8 | Confident | 121 Ų | 121 | 62.2 Ų | 62.2 | 56% | 0.56 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.4 | 177.6 | -63.3 | -72.1 | 0 | 0 | 0 | 108.8 | S329 | H241-S329 CarbonylContact C-O 3.6Å; H241-S329 WeakPolarHBondContact CA-O 3.42Å; H241-S329 PolarHBondContact CE1-OG 3.39Å; H241-S329 PolarHBondContact ND1-OG 3.38Å |
| 242 | L | 86.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.168 | 37% | 0.371 | C | S | . | . | trans | -94 | 102.8 | -179.6 | -58.3 | 177.9 | 0 | 0 | 0 | 109.1 | V240 N244 L248 I254 M302 I328 S329 T330 | V240-L242 HydrophobicContact CG1-CG 4.46Å; V240-L242 HydrophobicContact CG2-CD2 4.36Å; L242-N244 VanDerWaalsContact C-N 3.3Å; L242-N244 PolarHBondContact O-N 3.15Å; L242-L248 HydrophobicContact CD1-CD1 3.99Å; L242-I254 HydrophobicContact CD1-CD1 3.76Å; L242-M302 HydrophobicContact CD1-CE 3.71Å; L242-M302 HydrophobicContact CD1-SD 3.68Å; L242-I328 HydrophobicContact CD1-CG2 3.88Å; L242-I328 HydrophobicContact CG-CG2 4.34Å; L242-S329 PolarHBondContact N-O 3.14Å; L242-T330 HydrophobicContact CB-CG2 4.32Å; L242-T330 WeakPolarHBondContact O-CA 3.19Å | ||
| 243 | G | 76.6 | Confident | 87.6 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 87% | 0.866 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -66.4 | -26.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 244 | N | 77.4 | Confident | 87.5 | Confident | 102 Ų | 102 | 63 Ų | 63 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | trans | -137.4 | 93 | 174.9 | -173.8 | 3.6 | 0 | 0 | 0 | 110.4 | L242 D246 S247 | L242-N244 VanDerWaalsContact C-N 3.3Å; L242-N244 PolarHBondContact O-N 3.15Å; N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact OD1-N 3.35Å; N244-S247 PolarHBondContact O-OG 2.7Å | ||
| 245 | S | 80.4 | Confident | 87.6 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 12% | 0.119 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -78.5 | -13.5 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | S247 L248 T330 | S245-S247 PolarHBondContact O-N 3.16Å; S245-L248 WeakPolarHBondContact O-CB 3.37Å; S245-L248 PolarHBondContact O-N 2.96Å; S245-T330 VanDerWaalsContact CB-CG2 3.49Å |
| 246 | D | 79.6 | Confident | 87.9 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -74.7 | -14.1 | -176.1 | -68.5 | -22 | 0 | 0 | 0 | 112.4 | N244 R301 | N244-D246 VanDerWaalsContact C-N 3.31Å; N244-D246 PolarHBondContact OD1-N 3.35Å; D246-R301 VanDerWaalsContact CG-NH2 3.31Å; D246-R301 IonicContact OD1-CZ 3.68Å; D246-R301 VanDerWaalsContact OD1-CZ 3.25Å; D246-R301 IonicContact OD1-NE 3.8Å; D246-R301 PolarHBondContact OD1-NE 2.93Å; D246-R301 IonicContact OD1-NH2 3.75Å; D246-R301 PolarHBondContact OD1-NH2 2.88Å; D246-R301 IonicContact OD2-CZ 2.63Å; D246-R301 IonicContact OD2-NH2 2.87Å; D246-R301 PolarHBondContact OD2-NH2 2.83Å |
| 247 | S | 82.6 | Confident | 88.4 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -89.7 | -1.5 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | N244 S245 V249 | N244-S247 PolarHBondContact O-OG 2.7Å; S245-S247 PolarHBondContact O-N 3.16Å; S247-V249 PolarHBondContact O-N 3.32Å |
| 248 | L | 87.6 | Confident | 88.9 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | trans | -73.1 | 125.6 | -178.6 | -67.8 | 170 | 0 | 0 | 0 | 110.7 | L242 S245 I254 W296 M302 | L242-L248 HydrophobicContact CD1-CD1 3.99Å; S245-L248 WeakPolarHBondContact O-CB 3.37Å; S245-L248 PolarHBondContact O-N 2.96Å; L248-I254 HydrophobicContact CD1-CD1 4.34Å; L248-I254 HydrophobicContact CD2-CD1 3.99Å; L248-W296 HydrophobicContact CB-CG 4.33Å; L248-M302 HydrophobicContact CD1-CB 4.27Å; L248-M302 HydrophobicContact CD1-CG 4.44Å; L248-M302 HydrophobicContact CD1-SD 3.31Å; L248-M302 WeakPolarHBondContact CD1-SD 3.36Å | ||
| 249 | V | 90.5 | Very high | 89.2 | Confident | 93 Ų | 93 | 59 Ų | 59 | 56% | 0.564 | 36% | 0.363 | S | S | * | . | trans | -113.6 | 158.7 | 169.6 | -64.4 | 0 | 0 | 0 | 0 | 110 | S247 G251 S252 | S247-V249 PolarHBondContact O-N 3.32Å; V249-G251 PolarHBondContact O-N 3.29Å; V249-S252 PolarHBondContact N-OG 3.25Å; V249-S252 VanDerWaalsContact O-CB 3.26Å; V249-S252 WeakPolarHBondContact O-CB 3.34Å; V249-S252 PolarHBondContact O-N 2.46Å; V249-S252 PolarHBondContact O-OG 2.89Å | ||
| 250 | P | 92.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 130.9 | 172.7 | -27.1 | 33.7 | 0 | 0 | 0 | 112 | W296 | P250-W296 CarbonylContact C-O 3.56Å; P250-W296 WeakPolarHBondContact CA-O 3.43Å |
| 251 | G | 92.3 | Very high | 90.2 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -4.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V249 W296 | V249-G251 PolarHBondContact O-N 3.29Å; G251-W296 PolarHBondContact N-O 2.9Å |
| 252 | S | 94 | Very high | 90.8 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131.2 | 179.3 | -61 | 0 | 0 | 0 | 0 | 111.2 | V249 T295 W296 | V249-S252 PolarHBondContact N-OG 3.25Å; V249-S252 VanDerWaalsContact O-CB 3.26Å; V249-S252 WeakPolarHBondContact O-CB 3.34Å; V249-S252 PolarHBondContact O-N 2.46Å; V249-S252 PolarHBondContact O-OG 2.89Å; S252-T295 CarbonylContact O-C 3.54Å; S252-T295 VanDerWaalsContact O-CA 3.26Å; S252-T295 WeakPolarHBondContact O-CA 3.18Å; S252-W296 PolarHBondContact O-N 2.87Å |
| 253 | P | 94.8 | Very high | 91.3 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 138.9 | 179.1 | 30.2 | -34.7 | 0 | 0 | 0 | 111.3 | L293 | P253-L293 HydrophobicContact CB-CD1 4.05Å |
| 254 | I | 94.2 | Very high | 92.2 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -60 | 179.8 | -57.1 | -62.1 | 0 | 0 | 0 | 110.7 | V240 L242 L248 I294 W296 I328 | V240-I254 HydrophobicContact CG1-CG2 3.8Å; L242-I254 HydrophobicContact CD1-CD1 3.76Å; L248-I254 HydrophobicContact CD1-CD1 4.34Å; L248-I254 HydrophobicContact CD2-CD1 3.99Å; I254-I294 HydrophobicContact CB-CG2 4.46Å; I254-I294 WeakPolarHBondContact CB-O 3.06Å; I254-I294 PolarHBondContact N-O 2.53Å; I254-W296 HydrophobicContact CD1-CB 4.24Å; I254-W296 HydrophobicContact CG1-CB 4.43Å; I254-I328 HydrophobicContact CG2-CD1 4.02Å; I254-I328 HydrophobicContact CG2-CG1 4.37Å; I254-I328 HydrophobicContact CG2-CG2 4.28Å |
| 255 | I | 95.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 151.8 | -179.7 | -169.2 | 162.3 | 0 | 0 | 0 | 109.8 | Y238 V240 I294 V326 | Y238-I255 HydrophobicContact CD1-CD1 4.32Å; Y238-I255 HydrophobicContact CG-CD1 4.45Å; V240-I255 HydrophobicContact CB-CD1 4.32Å; I255-I294 HydrophobicContact CG2-CB 4.25Å; I255-I294 HydrophobicContact CG2-CD1 4.07Å; I255-I294 PolarHBondContact N-O 2.74Å; I255-I294 WeakPolarHBondContact O-CB 3.23Å; I255-I294 PolarHBondContact O-N 2.86Å; I255-V326 HydrophobicContact CG2-CG1 3.78Å |
| 256 | T | 96.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.9 | 169.6 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | T291 G292 L293 | T256-T291 VanDerWaalsContact CG2-O 3.31Å; T256-T291 WeakPolarHBondContact CG2-O 3.49Å; T256-G292 WeakPolarHBondContact CA-O 3.4Å; T256-L293 WeakPolarHBondContact OG1-CD1 3.41Å |
| 257 | V | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -97.3 | 156.8 | 169.6 | -60.6 | 0 | 0 | 0 | 0 | 109.9 | F233 Y238 Y272 I287 G292 I294 V310 V326 | F233-V257 HydrophobicContact CD1-CB 4.38Å; F233-V257 HydrophobicContact CE1-CB 4.12Å; F233-V257 HydrophobicContact CE1-CG2 3.93Å; Y238-V257 HydrophobicContact CD1-CG1 4.35Å; Y238-V257 HydrophobicContact CD2-CG1 3.69Å; Y238-V257 HydrophobicContact CE1-CB 4.42Å; Y238-V257 HydrophobicContact CE1-CG1 4.27Å; Y238-V257 HydrophobicContact CE2-CB 3.89Å; Y238-V257 HydrophobicContact CE2-CG1 3.57Å; Y238-V257 HydrophobicContact CG-CG1 4.08Å; V257-Y272 HydrophobicContact CG2-CD1 4.03Å; V257-Y272 HydrophobicContact CG2-CE1 4.2Å; V257-I287 HydrophobicContact CG2-CD1 4.19Å; V257-G292 WeakPolarHBondContact CG2-O 3.38Å; V257-G292 PolarHBondContact N-O 3.31Å; V257-I294 HydrophobicContact CG1-CD1 4.36Å; V257-V310 HydrophobicContact CG1-CG2 4.44Å; V257-V310 HydrophobicContact CG2-CG1 3.91Å; V257-V326 HydrophobicContact CG1-CG2 3.75Å | ||
| 258 | H | 97 | Very high | 95.3 | Very high | 102 Ų | 102 | 54.7 Ų | 54.7 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | trans | -140.6 | 125.2 | -176.7 | -175.3 | -93.5 | 0 | 0 | 0 | 110.8 | F233 D234 Y238 T260 | F233-H258 WeakPolarHBondContact CA-O 3.33Å; D234-H258 PolarHBondContact N-O 2.79Å; Y238-H258 PolarHBondContact OH-N 2.85Å; Y238-H258 PolarHBondContact OH-O 3.11Å; H258-T260 WeakPolarHBondContact CE1-CG2 3.32Å | ||
| 259 | A | 97.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P231 V232 F233 V270 Y272 A312 | P231-A259 HydrophobicContact CB-CB 4.29Å; V232-A259 CarbonylContact O-C 3.53Å; V232-A259 WeakPolarHBondContact O-CA 3.36Å; F233-A259 HydrophobicContact CD1-CB 3.89Å; F233-A259 HydrophobicContact CD2-CB 4.38Å; F233-A259 HydrophobicContact CE1-CB 4.12Å; F233-A259 HydrophobicContact CG-CB 4.04Å; F233-A259 HydrophobicContact CZ-CB 4.47Å; A259-V270 HydrophobicContact CB-CG1 4.26Å; A259-Y272 HydrophobicContact CB-CE1 3.93Å; A259-Y272 PolarHBondContact N-OH 3.31Å; A259-Y272 PolarHBondContact O-OH 3.32Å; A259-A312 HydrophobicContact CB-CB 3.69Å |
| 260 | T | 97.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.7 | 177.9 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | V232 H258 | V232-T260 PolarHBondContact N-O 3.1Å; V232-T260 PolarHBondContact O-N 2.76Å; H258-T260 WeakPolarHBondContact CE1-CG2 3.32Å |
| 261 | D | 98 | Very high | 96.3 | Very high | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | trans | -114.4 | 145.1 | 173.7 | -157.2 | -54.2 | 0 | 0 | 0 | 109.1 | P231 D263 G268 V270 | P231-D261 WeakPolarHBondContact CA-OD2 3.31Å; P231-D261 WeakPolarHBondContact CD-OD2 3.4Å; P231-D261 HydrophobicContact CG-CB 4.49Å; P231-D261 VanDerWaalsContact CG-OD2 3.23Å; P231-D261 WeakPolarHBondContact CG-OD2 3.44Å; D261-D263 PolarHBondContact OD1-N 3.46Å; D261-G268 WeakPolarHBondContact CB-O 3.39Å; D261-V270 HydrophobicContact CB-CG2 3.98Å | ||
| 262 | Q | 97.2 | Very high | 96.6 | Very high | 121 Ų | 121 | 52.2 Ų | 52.2 | 57% | 0.565 | 29% | 0.29 | S | S | * | . | trans | -91.8 | -17.3 | -177 | -62.7 | -59.7 | -42.5 | 0 | 0 | 112.7 | R193 E194 N229 | R193-Q262 PolarHBondContact NH2-O 2.83Å; E194-Q262 HydrophobicContact CG-CB 3.69Å; N229-Q262 HydrophobicContact CB-CB 4.37Å | ||
| 263 | D | 97.9 | Very high | 96.6 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -70.2 | 164.7 | -176.4 | -63.3 | -10.9 | 0 | 0 | 0 | 111.7 | N227 D228 N229 D261 N267 G268 | N227-D263 VanDerWaalsContact CA-OD2 3.27Å; N227-D263 WeakPolarHBondContact CA-OD2 3.11Å; D228-D263 PolarHBondContact N-OD2 3.34Å; N229-D263 VanDerWaalsContact CB-OD1 3.24Å; N229-D263 WeakPolarHBondContact CB-OD1 3.17Å; N229-D263 PolarHBondContact N-OD1 3.44Å; N229-D263 PolarHBondContact N-OD2 3.48Å; N229-D263 VanDerWaalsContact N-OD2 3.17Å; N229-D263 PolarHBondContact ND2-OD1 3.49Å; D261-D263 PolarHBondContact OD1-N 3.46Å; D263-N267 HydrophobicContact CB-CB 3.54Å; D263-G268 WeakPolarHBondContact O-CA 3.25Å; D263-G268 PolarHBondContact O-N 3.09Å |
| 264 | A | 96.1 | Very high | 96.5 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -88.6 | 151.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D225 R266 N267 G268 | D225-A264 HydrophobicContact CB-CB 3.96Å; D225-A264 VanDerWaalsContact CG-N 3.3Å; D225-A264 WeakPolarHBondContact OD1-CB 3.45Å; D225-A264 PolarHBondContact OD1-N 2.68Å; D225-A264 PolarHBondContact OD2-N 2.8Å; A264-R266 PolarHBondContact O-N 3.46Å; A264-R266 VanDerWaalsContact O-N 3.15Å; A264-N267 WeakPolarHBondContact O-CB 3.38Å; A264-N267 PolarHBondContact O-N 3.03Å; A264-N267 VanDerWaalsContact O-N 3.14Å; A264-G268 PolarHBondContact O-N 2.77Å |
| 265 | G | 95.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 53 Ų | 53 | 68% | 0.68 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -119.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q269 | G265-Q269 PolarHBondContact O-N 3.04Š|
| 266 | R | 96.6 | Very high | 95.4 | Very high | 173 Ų | 173 | 54.5 Ų | 54.5 | 65% | 0.653 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -28.8 | -178.8 | -71.2 | -174.5 | 69.3 | 141.8 | 4 | 113 | A264 G268 Q269 K315 G316 | A264-R266 PolarHBondContact O-N 3.46Å; A264-R266 VanDerWaalsContact O-N 3.15Å; R266-G268 VanDerWaalsContact C-N 3.28Å; R266-Q269 PolarHBondContact O-N 2.74Å; R266-K315 HydrophobicContact CB-CB 4.39Å; R266-K315 PolarHBondContact NE-O 2.87Å; R266-K315 CarbonylContact O-C 3.48Å; R266-K315 VanDerWaalsContact O-C 3.24Å; R266-K315 VanDerWaalsContact O-CA 3.32Å; R266-K315 WeakPolarHBondContact O-CA 3.46Å; R266-K315 WeakPolarHBondContact O-CB 3.49Å; R266-K315 PolarHBondContact O-N 2.82Å; R266-K315 VanDerWaalsContact O-N 3.09Å; R266-G316 PolarHBondContact O-N 2.93Å |
| 267 | N | 96.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.9 | 176.1 | -64.7 | -13 | 0 | 0 | 0 | 110 | D225 N227 D263 A264 Q269 D314 G316 | D225-N267 VanDerWaalsContact OD2-CB 3.29Å; D225-N267 WeakPolarHBondContact OD2-CB 3.21Å; D225-N267 PolarHBondContact OD2-ND2 2.91Å; N227-N267 HydrophobicContact CB-CB 4.03Å; N227-N267 WeakPolarHBondContact OD1-CA 3.03Å; N227-N267 WeakPolarHBondContact OD1-CB 3.26Å; N227-N267 PolarHBondContact OD1-O 3.06Å; D263-N267 HydrophobicContact CB-CB 3.54Å; A264-N267 WeakPolarHBondContact O-CB 3.38Å; A264-N267 PolarHBondContact O-N 3.03Å; A264-N267 VanDerWaalsContact O-N 3.14Å; N267-Q269 PolarHBondContact O-N 2.96Å; N267-D314 WeakPolarHBondContact O-CB 3.45Å; N267-G316 WeakPolarHBondContact OD1-CA 3.42Å |
| 268 | G | 96.2 | Very high | 92.8 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | D261 D263 A264 R266 V270 | D261-G268 WeakPolarHBondContact CB-O 3.39Å; D263-G268 WeakPolarHBondContact O-CA 3.25Å; D263-G268 PolarHBondContact O-N 3.09Å; A264-G268 PolarHBondContact O-N 2.77Å; R266-G268 VanDerWaalsContact C-N 3.28Å; G268-V270 PolarHBondContact O-N 3.39Å |
| 269 | Q | 97.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | trans | -89.2 | 107.4 | -171.3 | -169.8 | 179 | 7.4 | 0 | 0 | 111.2 | G265 R266 N267 D314 K315 | G265-Q269 PolarHBondContact O-N 3.04Å; R266-Q269 PolarHBondContact O-N 2.74Å; N267-Q269 PolarHBondContact O-N 2.96Å; Q269-D314 CarbonylContact O-C 3.56Å; Q269-D314 WeakPolarHBondContact O-CA 3.34Å; Q269-K315 HydrophobicContact CB-CB 4.39Å; Q269-K315 HydrophobicContact CB-CD 4.26Å; Q269-K315 HydrophobicContact CB-CG 4.5Å; Q269-K315 HydrophobicContact CG-CD 3.95Å; Q269-K315 WeakPolarHBondContact O-CG 3.38Å; Q269-K315 PolarHBondContact O-N 3Å; Q269-K315 VanDerWaalsContact O-N 3.1Å | ||
| 270 | V | 97.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | trans | -78.1 | 137.3 | -177.4 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | P231 A259 D261 G268 Y272 A312 | P231-V270 HydrophobicContact CB-CG1 4.25Å; P231-V270 HydrophobicContact CB-CG2 3.93Å; P231-V270 HydrophobicContact CG-CG2 4.19Å; A259-V270 HydrophobicContact CB-CG1 4.26Å; D261-V270 HydrophobicContact CB-CG2 3.98Å; G268-V270 PolarHBondContact O-N 3.39Å; V270-Y272 HydrophobicContact CG1-CD1 4.4Å; V270-Y272 HydrophobicContact CG1-CE1 3.96Å; V270-Y272 HydrophobicContact CG1-CE2 4.1Å; V270-A312 HydrophobicContact CG1-CB 3.78Å | ||
| 271 | E | 97.3 | Very high | 88.6 | Confident | 84 Ų | 84 | 54 Ų | 54 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.6 | 168.5 | -169.5 | 177.7 | 178.1 | 0 | 0 | 110.2 | A289 R313 | E271-A289 CarbonylContact C-O 3.55Å; E271-A289 WeakPolarHBondContact CA-O 3.44Å; E271-A289 HydrophobicContact CG-CB 4Å; E271-R313 PolarHBondContact N-O 2.89Å; E271-R313 PolarHBondContact O-N 3.46Å |
| 272 | Y | 97.6 | Very high | 87.6 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.8 | -178.4 | -57.1 | -84.7 | 0 | 0 | 0 | 112.4 | F233 V257 A259 V270 I287 A289 L311 A312 | F233-Y272 HydrophobicContact CE1-CD1 4.19Å; F233-Y272 HydrophobicContact CE1-CE1 4.02Å; F233-Y272 HydrophobicContact CZ-CD1 4.41Å; V257-Y272 HydrophobicContact CG2-CD1 4.03Å; V257-Y272 HydrophobicContact CG2-CE1 4.2Å; A259-Y272 HydrophobicContact CB-CE1 3.93Å; A259-Y272 PolarHBondContact N-OH 3.31Å; A259-Y272 PolarHBondContact O-OH 3.32Å; V270-Y272 HydrophobicContact CG1-CD1 4.4Å; V270-Y272 HydrophobicContact CG1-CE1 3.96Å; V270-Y272 HydrophobicContact CG1-CE2 4.1Å; Y272-I287 HydrophobicContact CG-CD1 4.46Å; Y272-A289 WeakPolarHBondContact CD2-O 3.32Å; Y272-A289 PolarHBondContact N-O 3.17Å; Y272-L311 WeakPolarHBondContact CA-O 3Å; Y272-A312 HydrophobicContact CD1-CB 4.17Å; Y272-A312 HydrophobicContact CE1-CB 4.19Å |
| 273 | R | 94.8 | Very high | 87 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 151 | 173.8 | 65 | -174.4 | -175.1 | 108.4 | -7 | 111.9 | L311 E321 | R273-L311 HydrophobicContact CG-CB 3.71Å; R273-L311 HydrophobicContact CG-CD1 4.24Å; R273-L311 HydrophobicContact CG-CG 4.4Å; R273-L311 PolarHBondContact N-O 2.9Å; R273-L311 VanDerWaalsContact NH2-CD1 3.25Å; R273-L311 PolarHBondContact O-N 2.65Å; R273-E321 IonicContact CZ-OE2 3.71Å; R273-E321 IonicContact NH2-OE2 3.61Å; R273-E321 PolarHBondContact NH2-OE2 3.05Å |
| 274 | L | 91.7 | Very high | 86.6 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.5 | 168.6 | -66.3 | 177.4 | 0 | 0 | 0 | 109 | F285 I287 I294 L308 V310 | L274-F285 HydrophobicContact CD1-CB 3.76Å; L274-I287 HydrophobicContact CD1-CB 4.42Å; L274-I287 HydrophobicContact CD2-CB 4.43Å; L274-I287 HydrophobicContact CG-CB 4.01Å; L274-I287 HydrophobicContact CG-CG2 3.79Å; L274-I294 HydrophobicContact CD2-CD1 4.36Å; L274-L308 HydrophobicContact CD2-CB 4.28Å; L274-L308 HydrophobicContact CD2-CD1 4.29Å; L274-V310 HydrophobicContact CD2-CG2 3.9Å |
| 275 | A | 86.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 10% | 0.099 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 146.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S277 L309 L311 I342 | A275-S277 PolarHBondContact O-N 3.49Å; A275-S277 VanDerWaalsContact O-N 3.11Å; A275-L309 HydrophobicContact CB-CB 3.91Å; A275-L309 HydrophobicContact CB-CD2 3.87Å; A275-L309 HydrophobicContact CB-CG 4.07Å; A275-L309 WeakPolarHBondContact CB-O 3.34Å; A275-L309 PolarHBondContact N-O 3Å; A275-L311 HydrophobicContact CB-CD1 3.68Å; A275-L311 HydrophobicContact CB-CD2 4.42Å; A275-L311 HydrophobicContact CB-CG 3.98Å; A275-I342 HydrophobicContact CB-CG2 4.4Å |
| 276 | P | 80.7 | Confident | 86.4 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 120.3 | 169.1 | -20.9 | 31.9 | 0 | 0 | 0 | 110 | ||
| 277 | S | 73.9 | Confident | 86.4 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | trans | -123.8 | 138.1 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 109.8 | A275 G279 D280 A281 | A275-S277 PolarHBondContact O-N 3.49Å; A275-S277 VanDerWaalsContact O-N 3.11Å; S277-G279 PolarHBondContact O-N 3.02Å; S277-G279 VanDerWaalsContact O-N 3.15Å; S277-G279 PolarHBondContact OG-N 2.91Å; S277-D280 CarbonylContact O-C 3.54Å; S277-D280 PolarHBondContact O-N 3.5Å; S277-A281 PolarHBondContact O-N 2.8Å | ||
| 278 | P | 66.1 | Low | 86.5 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -56.2 | -29.2 | 170.9 | -21.9 | 31.1 | 0 | 0 | 0 | 112.8 | D280 | P278-D280 VanDerWaalsContact C-N 3.28Å; P278-D280 PolarHBondContact O-N 3.4Å |
| 279 | G | 64 | Low | 86.5 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -75.1 | -14.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S277 | S277-G279 PolarHBondContact O-N 3.02Å; S277-G279 VanDerWaalsContact O-N 3.15Å; S277-G279 PolarHBondContact OG-N 2.91Å |
| 280 | D | 72.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -133.2 | 40.8 | 177.9 | -166.6 | 27.3 | 0 | 0 | 0 | 112.6 | S277 P278 Q282 R283 L284 F285 L308 | S277-D280 CarbonylContact O-C 3.54Å; S277-D280 PolarHBondContact O-N 3.5Å; P278-D280 VanDerWaalsContact C-N 3.28Å; P278-D280 PolarHBondContact O-N 3.4Å; D280-Q282 PolarHBondContact O-N 2.87Å; D280-R283 PolarHBondContact O-N 2.93Å; D280-R283 PolarHBondContact OD1-N 2.94Å; D280-L284 WeakPolarHBondContact OD1-CA 3.36Å; D280-L284 WeakPolarHBondContact OD1-CB 3.48Å; D280-L284 WeakPolarHBondContact OD1-CG 2.94Å; D280-L284 PolarHBondContact OD1-N 3.01Å; D280-L284 PolarHBondContact OD2-N 3.23Å; D280-F285 PolarHBondContact OD2-N 3.33Å; D280-L308 HydrophobicContact CB-CD2 4.01Å |
| 281 | A | 67.4 | Low | 86.5 | Confident | 89 Ų | 89 | 61 Ų | 61 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | S277 | S277-A281 PolarHBondContact O-N 2.8Š|
| 282 | Q | 76.4 | Confident | 86.4 | Confident | 131 Ų | 131 | 57 Ų | 57 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 3.7 | 178.6 | -64.8 | -176.8 | 4 | 0 | 0 | 113.7 | D280 L284 | D280-Q282 PolarHBondContact O-N 2.87Å; Q282-L284 VanDerWaalsContact C-N 3.34Å; Q282-L284 HydrophobicContact CB-CD2 3.96Å; Q282-L284 HydrophobicContact CB-CG 4.08Å; Q282-L284 PolarHBondContact O-N 3.22Å |
| 283 | R | 84.8 | Confident | 86.4 | Confident | 209 Ų | 209 | 58.9 Ų | 58.9 | 79% | 0.789 | 33% | 0.332 | S | S | * | . | trans | 53.5 | 48.7 | -176.4 | -56.8 | -178.3 | 178.2 | 173.4 | -1.4 | 112.4 | D280 F285 S297 | D280-R283 PolarHBondContact O-N 2.93Å; D280-R283 PolarHBondContact OD1-N 2.94Å; R283-F285 PolarHBondContact O-N 3.31Å; R283-S297 PolarHBondContact O-OG 3.16Å | ||
| 284 | L | 90.5 | Very high | 86.5 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -68.8 | -15.1 | 177.6 | -55.1 | 171.6 | 0 | 0 | 0 | 113 | D280 Q282 W296 S297 S298 Y306 | D280-L284 WeakPolarHBondContact OD1-CA 3.36Å; D280-L284 WeakPolarHBondContact OD1-CB 3.48Å; D280-L284 WeakPolarHBondContact OD1-CG 2.94Å; D280-L284 PolarHBondContact OD1-N 3.01Å; D280-L284 PolarHBondContact OD2-N 3.23Å; Q282-L284 VanDerWaalsContact C-N 3.34Å; Q282-L284 HydrophobicContact CB-CD2 3.96Å; Q282-L284 HydrophobicContact CB-CG 4.08Å; Q282-L284 PolarHBondContact O-N 3.22Å; L284-W296 HydrophobicContact CB-CH2 3.94Å; L284-W296 HydrophobicContact CB-CZ3 3.72Å; L284-W296 HydrophobicContact CD1-CH2 4.32Å; L284-W296 HydrophobicContact CD2-CH2 4.49Å; L284-W296 HydrophobicContact CG-CH2 4.5Å; L284-W296 VanDerWaalsContact O-CE3 3.28Å; L284-S297 WeakPolarHBondContact CA-OG 3.4Å; L284-S297 PolarHBondContact O-N 3.28Å; L284-S297 PolarHBondContact O-OG 2.9Å; L284-S298 VanDerWaalsContact CD2-CB 3.44Å; L284-S298 VanDerWaalsContact CD2-OG 3.31Å; L284-S298 WeakPolarHBondContact CD2-OG 3.25Å; L284-Y306 HydrophobicContact CD1-CE1 3.73Å | ||
| 285 | F | 93.2 | Very high | 86.7 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.7 | 172.1 | -58.8 | -88.9 | 0 | 0 | 0 | 110.8 | L274 D280 R283 I294 T295 W296 S297 M302 Y306 L308 I328 | L274-F285 HydrophobicContact CD1-CB 3.76Å; D280-F285 PolarHBondContact OD2-N 3.33Å; R283-F285 PolarHBondContact O-N 3.31Å; F285-I294 HydrophobicContact CB-CG2 4.29Å; F285-I294 HydrophobicContact CD1-CG2 4.13Å; F285-T295 WeakPolarHBondContact CA-O 3.48Å; F285-W296 HydrophobicContact CD1-CE3 4.07Å; F285-W296 AromaticContact CE1-CE3 3.64Å; F285-W296 HydrophobicContact CE1-CE3 3.64Å; F285-W296 AromaticContact CE1-CZ3 3.95Å; F285-W296 HydrophobicContact CE1-CZ3 3.95Å; F285-W296 HydrophobicContact CE2-CE3 4.44Å; F285-W296 AromaticContact CE2-CZ3 3.99Å; F285-W296 HydrophobicContact CE2-CZ3 3.99Å; F285-W296 AromaticContact CZ-CE3 3.86Å; F285-W296 HydrophobicContact CZ-CE3 3.86Å; F285-W296 AromaticContact CZ-CZ3 3.64Å; F285-W296 HydrophobicContact CZ-CZ3 3.64Å; F285-S297 PolarHBondContact N-OG 2.81Å; F285-M302 HydrophobicContact CZ-CE 4.4Å; F285-Y306 AromaticContact CE2-CD1 3.6Å; F285-Y306 HydrophobicContact CE2-CD1 3.6Å; F285-Y306 HydrophobicContact CE2-CD2 4.03Å; F285-Y306 HydrophobicContact CE2-CE1 4.04Å; F285-Y306 HydrophobicContact CE2-CE2 4.44Å; F285-Y306 AromaticContact CE2-CG 3.57Å; F285-Y306 HydrophobicContact CE2-CG 3.57Å; F285-Y306 HydrophobicContact CZ-CD1 4.14Å; F285-Y306 AromaticContact CZ-CD2 3.69Å; F285-Y306 HydrophobicContact CZ-CD2 3.69Å; F285-Y306 HydrophobicContact CZ-CE2 4.16Å; F285-Y306 AromaticContact CZ-CG 3.66Å; F285-Y306 HydrophobicContact CZ-CG 3.66Å; F285-L308 HydrophobicContact CB-CD1 4.01Å; F285-L308 HydrophobicContact CD1-CD1 4.06Å; F285-L308 HydrophobicContact CD2-CD1 3.93Å; F285-L308 HydrophobicContact CD2-CD2 3.74Å; F285-L308 HydrophobicContact CD2-CG 4.4Å; F285-L308 HydrophobicContact CE2-CD1 4.44Å; F285-L308 HydrophobicContact CE2-CD2 4.13Å; F285-L308 HydrophobicContact CG-CD1 3.72Å; F285-L308 HydrophobicContact CG-CD2 4.34Å; F285-I328 HydrophobicContact CD1-CD1 4.02Å; F285-I328 HydrophobicContact CE1-CD1 3.43Å; F285-I328 VanDerWaalsContact CE1-CD1 3.43Å; F285-I328 HydrophobicContact CZ-CD1 3.74Å |
| 286 | S | 94 | Very high | 87 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.8 | 167.4 | 39 | 0 | 0 | 0 | 0 | 109.6 | I294 T295 | S286-I294 CarbonylContact O-C 3.6Å; S286-I294 VanDerWaalsContact O-CA 3.32Å; S286-I294 WeakPolarHBondContact O-CA 3.49Å; S286-T295 PolarHBondContact N-O 3.38Å; S286-T295 PolarHBondContact O-N 3.34Å; S286-T295 PolarHBondContact O-OG1 2.72Å; S286-T295 PolarHBondContact OG-OG1 2.88Å |
| 287 | I | 96.4 | Very high | 87.6 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 16% | 0.164 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136 | 171.4 | -169.3 | 164.9 | 0 | 0 | 0 | 108.7 | V257 Y272 L274 L293 I294 V310 | V257-I287 HydrophobicContact CG2-CD1 4.19Å; Y272-I287 HydrophobicContact CG-CD1 4.46Å; L274-I287 HydrophobicContact CD1-CB 4.42Å; L274-I287 HydrophobicContact CD2-CB 4.43Å; L274-I287 HydrophobicContact CG-CB 4.01Å; L274-I287 HydrophobicContact CG-CG2 3.79Å; I287-L293 WeakPolarHBondContact CA-O 3.49Å; I287-I294 HydrophobicContact CB-CG1 4.28Å; I287-I294 HydrophobicContact CD1-CD1 4.4Å; I287-I294 HydrophobicContact CD1-CG1 3.85Å; I287-I294 HydrophobicContact CG1-CG1 3.98Å; I287-V310 HydrophobicContact CD1-CG1 3.47Å; I287-V310 VanDerWaalsContact CD1-CG1 3.47Å |
| 288 | D | 97.3 | Very high | 88.3 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -74.8 | 124.9 | 169.5 | -178.2 | -85.9 | 0 | 0 | 0 | 109.6 | D290 T291 G292 L293 | D288-D290 VanDerWaalsContact C-N 3.28Å; D288-D290 PolarHBondContact O-N 2.96Å; D288-D290 PolarHBondContact OD1-N 2.95Å; D288-T291 VanDerWaalsContact CB-OG1 3.26Å; D288-T291 WeakPolarHBondContact CB-OG1 3.22Å; D288-T291 WeakPolarHBondContact OD1-CB 3.32Å; D288-T291 WeakPolarHBondContact OD1-CG2 3.33Å; D288-T291 PolarHBondContact OD1-N 3.14Å; D288-T291 PolarHBondContact OD1-OG1 2.86Å; D288-G292 PolarHBondContact O-N 2.85Å; D288-L293 HydrophobicContact CB-CB 4.31Å; D288-L293 PolarHBondContact N-O 2.95Å | ||
| 289 | A | 97.2 | Very high | 89.2 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E271 Y272 | E271-A289 CarbonylContact C-O 3.55Å; E271-A289 WeakPolarHBondContact CA-O 3.44Å; E271-A289 HydrophobicContact CG-CB 4Å; Y272-A289 WeakPolarHBondContact CD2-O 3.32Å; Y272-A289 PolarHBondContact N-O 3.17Å |
| 290 | D | 96.6 | Very high | 90.2 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -31.6 | -176.7 | -62.3 | -55.6 | 0 | 0 | 0 | 112.2 | D288 K315 | D288-D290 VanDerWaalsContact C-N 3.28Å; D288-D290 PolarHBondContact O-N 2.96Å; D288-D290 PolarHBondContact OD1-N 2.95Å; D290-K315 IonicContact OD1-NZ 3.18Å |
| 291 | T | 96.8 | Very high | 90.7 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -15.5 | -175.4 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | T256 D288 L293 | T256-T291 VanDerWaalsContact CG2-O 3.31Å; T256-T291 WeakPolarHBondContact CG2-O 3.49Å; D288-T291 VanDerWaalsContact CB-OG1 3.26Å; D288-T291 WeakPolarHBondContact CB-OG1 3.22Å; D288-T291 WeakPolarHBondContact OD1-CB 3.32Å; D288-T291 WeakPolarHBondContact OD1-CG2 3.33Å; D288-T291 PolarHBondContact OD1-N 3.14Å; D288-T291 PolarHBondContact OD1-OG1 2.86Å; T291-L293 PolarHBondContact O-N 3.16Å; T291-L293 PolarHBondContact OG1-N 2.83Å |
| 292 | G | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | 70.5 | 13.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | T256 V257 D288 I294 | T256-G292 WeakPolarHBondContact CA-O 3.4Å; V257-G292 WeakPolarHBondContact CG2-O 3.38Å; V257-G292 PolarHBondContact N-O 3.31Å; D288-G292 PolarHBondContact O-N 2.85Å; G292-I294 PolarHBondContact O-N 2.79Å | ||
| 293 | L | 98 | Very high | 91.8 | Very high | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.277 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.4 | 176.7 | 176.8 | 65.3 | 0 | 0 | 0 | 110.8 | P253 T256 I287 D288 T291 T295 | P253-L293 HydrophobicContact CB-CD1 4.05Å; T256-L293 WeakPolarHBondContact OG1-CD1 3.41Å; I287-L293 WeakPolarHBondContact CA-O 3.49Å; D288-L293 HydrophobicContact CB-CB 4.31Å; D288-L293 PolarHBondContact N-O 2.95Å; T291-L293 PolarHBondContact O-N 3.16Å; T291-L293 PolarHBondContact OG1-N 2.83Å; L293-T295 HydrophobicContact CD2-CG2 4.04Å; L293-T295 HydrophobicContact CG-CG2 3.99Å |
| 294 | I | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 127.4 | 171.9 | -59.2 | 174.7 | 0 | 0 | 0 | 109.4 | I254 I255 V257 L274 F285 S286 I287 G292 L308 V310 V326 | I254-I294 HydrophobicContact CB-CG2 4.46Å; I254-I294 WeakPolarHBondContact CB-O 3.06Å; I254-I294 PolarHBondContact N-O 2.53Å; I255-I294 HydrophobicContact CG2-CB 4.25Å; I255-I294 HydrophobicContact CG2-CD1 4.07Å; I255-I294 PolarHBondContact N-O 2.74Å; I255-I294 WeakPolarHBondContact O-CB 3.23Å; I255-I294 PolarHBondContact O-N 2.86Å; V257-I294 HydrophobicContact CG1-CD1 4.36Å; L274-I294 HydrophobicContact CD2-CD1 4.36Å; F285-I294 HydrophobicContact CB-CG2 4.29Å; F285-I294 HydrophobicContact CD1-CG2 4.13Å; S286-I294 CarbonylContact O-C 3.6Å; S286-I294 VanDerWaalsContact O-CA 3.32Å; S286-I294 WeakPolarHBondContact O-CA 3.49Å; I287-I294 HydrophobicContact CB-CG1 4.28Å; I287-I294 HydrophobicContact CD1-CD1 4.4Å; I287-I294 HydrophobicContact CD1-CG1 3.85Å; I287-I294 HydrophobicContact CG1-CG1 3.98Å; G292-I294 PolarHBondContact O-N 2.79Å; I294-L308 HydrophobicContact CG2-CD1 4.23Å; I294-V310 HydrophobicContact CD1-CG2 3.78Å; I294-V326 HydrophobicContact CD1-CB 4.32Å; I294-V326 HydrophobicContact CD1-CG1 4.22Å; I294-V326 HydrophobicContact CD1-CG2 3.86Å |
| 295 | T | 95.4 | Very high | 91 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.3 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | S252 F285 S286 L293 | S252-T295 CarbonylContact O-C 3.54Å; S252-T295 VanDerWaalsContact O-CA 3.26Å; S252-T295 WeakPolarHBondContact O-CA 3.18Å; F285-T295 WeakPolarHBondContact CA-O 3.48Å; S286-T295 PolarHBondContact N-O 3.38Å; S286-T295 PolarHBondContact O-N 3.34Å; S286-T295 PolarHBondContact O-OG1 2.72Å; S286-T295 PolarHBondContact OG-OG1 2.88Å; L293-T295 HydrophobicContact CD2-CG2 4.04Å; L293-T295 HydrophobicContact CG-CG2 3.99Å |
| 296 | W | 93.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 121.1 | 170.8 | -179.1 | -114.9 | 0 | 0 | 0 | 109.7 | L248 P250 G251 S252 I254 L284 F285 S298 Q300 M302 | L248-W296 HydrophobicContact CB-CG 4.33Å; P250-W296 CarbonylContact C-O 3.56Å; P250-W296 WeakPolarHBondContact CA-O 3.43Å; G251-W296 PolarHBondContact N-O 2.9Å; S252-W296 PolarHBondContact O-N 2.87Å; I254-W296 HydrophobicContact CD1-CB 4.24Å; I254-W296 HydrophobicContact CG1-CB 4.43Å; L284-W296 HydrophobicContact CB-CH2 3.94Å; L284-W296 HydrophobicContact CB-CZ3 3.72Å; L284-W296 HydrophobicContact CD1-CH2 4.32Å; L284-W296 HydrophobicContact CD2-CH2 4.49Å; L284-W296 HydrophobicContact CG-CH2 4.5Å; L284-W296 VanDerWaalsContact O-CE3 3.28Å; F285-W296 HydrophobicContact CD1-CE3 4.07Å; F285-W296 AromaticContact CE1-CE3 3.64Å; F285-W296 HydrophobicContact CE1-CE3 3.64Å; F285-W296 AromaticContact CE1-CZ3 3.95Å; F285-W296 HydrophobicContact CE1-CZ3 3.95Å; F285-W296 HydrophobicContact CE2-CE3 4.44Å; F285-W296 AromaticContact CE2-CZ3 3.99Å; F285-W296 HydrophobicContact CE2-CZ3 3.99Å; F285-W296 AromaticContact CZ-CE3 3.86Å; F285-W296 HydrophobicContact CZ-CE3 3.86Å; F285-W296 AromaticContact CZ-CZ3 3.64Å; F285-W296 HydrophobicContact CZ-CZ3 3.64Å; W296-S298 VanDerWaalsContact CD1-O 3.27Å; W296-S298 PolarHBondContact NE1-O 3.24Å; W296-Q300 VanDerWaalsContact CZ2-O 3.3Å; W296-Q300 WeakPolarHBondContact CZ2-O 3.35Å; W296-M302 HydrophobicContact CE3-CG 4.45Å; W296-M302 HydrophobicContact CH2-CB 4Å; W296-M302 HydrophobicContact CH2-CG 4.01Å; W296-M302 HydrophobicContact CZ2-CB 4.03Å; W296-M302 HydrophobicContact CZ2-CG 4.48Å; W296-M302 HydrophobicContact CZ3-CB 4.41Å; W296-M302 HydrophobicContact CZ3-CG 3.99Å |
| 297 | S | 92.3 | Very high | 90 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | trans | -105.4 | -8 | -175.1 | 66 | 0 | 0 | 0 | 0 | 113.7 | R283 L284 F285 | R283-S297 PolarHBondContact O-OG 3.16Å; L284-S297 WeakPolarHBondContact CA-OG 3.4Å; L284-S297 PolarHBondContact O-N 3.28Å; L284-S297 PolarHBondContact O-OG 2.9Å; F285-S297 PolarHBondContact N-OG 2.81Å | ||
| 298 | S | 88.7 | Confident | 89.6 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -98.1 | 151.1 | -174 | -172.6 | 0 | 0 | 0 | 0 | 113.3 | L284 W296 Q300 | L284-S298 VanDerWaalsContact CD2-CB 3.44Å; L284-S298 VanDerWaalsContact CD2-OG 3.31Å; L284-S298 WeakPolarHBondContact CD2-OG 3.25Å; W296-S298 VanDerWaalsContact CD1-O 3.27Å; W296-S298 PolarHBondContact NE1-O 3.24Å; S298-Q300 VanDerWaalsContact C-N 3.32Å; S298-Q300 WeakPolarHBondContact OG-CB 3.45Å; S298-Q300 WeakPolarHBondContact OG-CG 3.38Å; S298-Q300 PolarHBondContact OG-N 3Å; S298-Q300 VanDerWaalsContact OG-N 3.11Å | ||
| 299 | S | 86 | Confident | 89.2 | Confident | 111 Ų | 111 | 49.4 Ų | 49.4 | 78% | 0.776 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -88.1 | -3.9 | 168.1 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 300 | Q | 85.1 | Confident | 89 | Confident | 103 Ų | 103 | 47.8 Ų | 47.8 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -73.7 | 160.6 | 179.6 | -62.1 | 179.2 | 46.1 | 0 | 0 | 111.1 | W296 S298 M302 | W296-Q300 VanDerWaalsContact CZ2-O 3.3Å; W296-Q300 WeakPolarHBondContact CZ2-O 3.35Å; S298-Q300 VanDerWaalsContact C-N 3.32Å; S298-Q300 WeakPolarHBondContact OG-CB 3.45Å; S298-Q300 WeakPolarHBondContact OG-CG 3.38Å; S298-Q300 PolarHBondContact OG-N 3Å; S298-Q300 VanDerWaalsContact OG-N 3.11Å; Q300-M302 PolarHBondContact O-N 2.88Å |
| 301 | R | 83.1 | Confident | 88.8 | Confident | 189 Ų | 189 | 43.1 Ų | 43.1 | 71% | 0.713 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -67.9 | 128.3 | 169.8 | -168.8 | 178.4 | -169.1 | -178.9 | 3.7 | 109 | D246 G303 | D246-R301 VanDerWaalsContact CG-NH2 3.31Å; D246-R301 IonicContact OD1-CZ 3.68Å; D246-R301 VanDerWaalsContact OD1-CZ 3.25Å; D246-R301 IonicContact OD1-NE 3.8Å; D246-R301 PolarHBondContact OD1-NE 2.93Å; D246-R301 IonicContact OD1-NH2 3.75Å; D246-R301 PolarHBondContact OD1-NH2 2.88Å; D246-R301 IonicContact OD2-CZ 2.63Å; D246-R301 IonicContact OD2-NH2 2.87Å; D246-R301 PolarHBondContact OD2-NH2 2.83Å; R301-G303 PolarHBondContact O-N 2.7Å |
| 302 | M | 83.7 | Confident | 88.8 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 135.4 | 179.1 | -171.7 | -179.4 | 163.5 | 0 | 0 | 111.3 | L242 L248 F285 W296 Q300 Y306 I328 T330 | L242-M302 HydrophobicContact CD1-CE 3.71Å; L242-M302 HydrophobicContact CD1-SD 3.68Å; L248-M302 HydrophobicContact CD1-CB 4.27Å; L248-M302 HydrophobicContact CD1-CG 4.44Å; L248-M302 HydrophobicContact CD1-SD 3.31Å; L248-M302 WeakPolarHBondContact CD1-SD 3.36Å; F285-M302 HydrophobicContact CZ-CE 4.4Å; W296-M302 HydrophobicContact CE3-CG 4.45Å; W296-M302 HydrophobicContact CH2-CB 4Å; W296-M302 HydrophobicContact CH2-CG 4.01Å; W296-M302 HydrophobicContact CZ2-CB 4.03Å; W296-M302 HydrophobicContact CZ2-CG 4.48Å; W296-M302 HydrophobicContact CZ3-CB 4.41Å; W296-M302 HydrophobicContact CZ3-CG 3.99Å; Q300-M302 PolarHBondContact O-N 2.88Å; M302-Y306 HydrophobicContact CE-CD2 3.79Å; M302-Y306 HydrophobicContact CE-CE2 4Å; M302-Y306 HydrophobicContact CG-CD2 4.36Å; M302-Y306 HydrophobicContact CG-CE2 3.63Å; M302-I328 HydrophobicContact CE-CB 4.27Å; M302-I328 HydrophobicContact CE-CG2 3.25Å; M302-T330 HydrophobicContact CE-CG2 3.36Å; M302-T330 HydrophobicContact CG-CG2 4Å; M302-T330 HydrophobicContact SD-CG2 3.54Å; M302-T330 VanDerWaalsContact SD-CG2 3.54Å |
| 303 | G | 81.5 | Confident | 88.7 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | trans | -66.5 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R301 Y306 T330 | R301-G303 PolarHBondContact O-N 2.7Å; G303-Y306 WeakPolarHBondContact CA-OH 3.36Å; G303-Y306 PolarHBondContact N-OH 2.87Å; G303-T330 WeakPolarHBondContact O-CG2 3.43Å; G303-T330 PolarHBondContact O-OG1 3.27Å | ||
| 304 | R | 80.1 | Confident | 88.7 | Confident | 152 Ų | 152 | 42 Ų | 42 | 57% | 0.574 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -74.4 | -33.3 | -176.7 | -71.1 | -171.7 | 179.4 | 174.8 | -0.3 | 114.6 | S329 T330 D335 | R304-S329 WeakPolarHBondContact O-CA 3.09Å; R304-T330 WeakPolarHBondContact CA-OG1 3.23Å; R304-T330 PolarHBondContact O-N 2.67Å; R304-D335 IonicContact NH1-OD1 2.79Å |
| 305 | F | 80.2 | Confident | 88.7 | Confident | 39 Ų | 39 | 44 Ų | 44 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 132.9 | -172.8 | -178.8 | -96.7 | 0 | 0 | 0 | 109.9 | E307 A327 I328 K338 S368 P370 | F305-E307 HydrophobicContact CE1-CB 3.92Å; F305-E307 HydrophobicContact CZ-CB 4.19Å; F305-A327 HydrophobicContact CE2-CB 4.27Å; F305-A327 HydrophobicContact CZ-CB 4.41Å; F305-I328 CarbonylContact C-O 3.54Å; F305-I328 VanDerWaalsContact CA-O 3.26Å; F305-I328 WeakPolarHBondContact CA-O 3.29Å; F305-K338 HydrophobicContact CD1-CD 4.03Å; F305-S368 WeakPolarHBondContact CE1-OG 3.44Å; F305-S368 VanDerWaalsContact CZ-OG 3.23Å; F305-S368 WeakPolarHBondContact CZ-OG 3.23Å; F305-P370 HydrophobicContact CD2-CG 4.26Å; F305-P370 HydrophobicContact CG-CG 4.46Å |
| 306 | Y | 83 | Confident | 88.5 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.4 | 170.4 | -64.4 | -88.5 | 0 | 0 | 0 | 109.4 | L284 F285 M302 G303 I328 | L284-Y306 HydrophobicContact CD1-CE1 3.73Å; F285-Y306 AromaticContact CE2-CD1 3.6Å; F285-Y306 HydrophobicContact CE2-CD1 3.6Å; F285-Y306 HydrophobicContact CE2-CD2 4.03Å; F285-Y306 HydrophobicContact CE2-CE1 4.04Å; F285-Y306 HydrophobicContact CE2-CE2 4.44Å; F285-Y306 AromaticContact CE2-CG 3.57Å; F285-Y306 HydrophobicContact CE2-CG 3.57Å; F285-Y306 HydrophobicContact CZ-CD1 4.14Å; F285-Y306 AromaticContact CZ-CD2 3.69Å; F285-Y306 HydrophobicContact CZ-CD2 3.69Å; F285-Y306 HydrophobicContact CZ-CE2 4.16Å; F285-Y306 AromaticContact CZ-CG 3.66Å; F285-Y306 HydrophobicContact CZ-CG 3.66Å; M302-Y306 HydrophobicContact CE-CD2 3.79Å; M302-Y306 HydrophobicContact CE-CE2 4Å; M302-Y306 HydrophobicContact CG-CD2 4.36Å; M302-Y306 HydrophobicContact CG-CE2 3.63Å; G303-Y306 WeakPolarHBondContact CA-OH 3.36Å; G303-Y306 PolarHBondContact N-OH 2.87Å; Y306-I328 PolarHBondContact N-O 2.79Å; Y306-I328 PolarHBondContact O-N 2.8Å |
| 307 | E | 82.4 | Confident | 88.3 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 116.8 | 171.2 | -166.4 | 164.2 | -132.4 | 0 | 0 | 108.4 | R237 F305 F325 V326 S366 | R237-E307 IonicContact CZ-OE1 2.65Å; R237-E307 IonicContact NH1-OE1 2.77Å; R237-E307 PolarHBondContact NH1-OE1 3.03Å; R237-E307 IonicContact NH2-OE1 3.61Å; F305-E307 HydrophobicContact CE1-CB 3.92Å; F305-E307 HydrophobicContact CZ-CB 4.19Å; E307-F325 HydrophobicContact CG-CD1 3.82Å; E307-F325 HydrophobicContact CG-CE1 4.15Å; E307-V326 WeakPolarHBondContact CA-O 3.46Å; E307-S366 VanDerWaalsContact CD-OG 3.22Å; E307-S366 WeakPolarHBondContact OE1-CB 3.49Å; E307-S366 WeakPolarHBondContact OE2-CB 3.45Å; E307-S366 PolarHBondContact OE2-OG 2.78Å |
| 308 | L | 88.2 | Confident | 88.2 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 143.9 | -178.5 | -50.8 | 177.2 | 0 | 0 | 0 | 108.6 | L274 D280 F285 I294 F325 V326 I328 | L274-L308 HydrophobicContact CD2-CB 4.28Å; L274-L308 HydrophobicContact CD2-CD1 4.29Å; D280-L308 HydrophobicContact CB-CD2 4.01Å; F285-L308 HydrophobicContact CB-CD1 4.01Å; F285-L308 HydrophobicContact CD1-CD1 4.06Å; F285-L308 HydrophobicContact CD2-CD1 3.93Å; F285-L308 HydrophobicContact CD2-CD2 3.74Å; F285-L308 HydrophobicContact CD2-CG 4.4Å; F285-L308 HydrophobicContact CE2-CD1 4.44Å; F285-L308 HydrophobicContact CE2-CD2 4.13Å; F285-L308 HydrophobicContact CG-CD1 3.72Å; F285-L308 HydrophobicContact CG-CD2 4.34Å; I294-L308 HydrophobicContact CG2-CD1 4.23Å; L308-F325 WeakPolarHBondContact O-CA 3.25Å; L308-V326 HydrophobicContact CB-CB 4.32Å; L308-V326 PolarHBondContact N-O 2.97Å; L308-V326 PolarHBondContact O-N 2.79Å; L308-I328 HydrophobicContact CD1-CD1 3.72Å; L308-I328 HydrophobicContact CG-CD1 4.3Å |
| 309 | L | 88 | Confident | 88.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.6 | 166 | -177.2 | 68.7 | 0 | 0 | 0 | 107.5 | A275 L311 F325 I342 L344 R364 | A275-L309 HydrophobicContact CB-CB 3.91Å; A275-L309 HydrophobicContact CB-CD2 3.87Å; A275-L309 HydrophobicContact CB-CG 4.07Å; A275-L309 WeakPolarHBondContact CB-O 3.34Å; A275-L309 PolarHBondContact N-O 3Å; L309-L311 HydrophobicContact CD2-CD2 3.97Å; L309-L311 HydrophobicContact CG-CD2 3.96Å; L309-F325 HydrophobicContact CD1-CD1 4.39Å; L309-F325 HydrophobicContact CD1-CE1 4.35Å; L309-I342 HydrophobicContact CB-CB 4.42Å; L309-I342 HydrophobicContact CB-CD1 3.58Å; L309-I342 HydrophobicContact CB-CG2 3.96Å; L309-I342 HydrophobicContact CD2-CB 4.16Å; L309-I342 HydrophobicContact CD2-CG2 3.54Å; L309-I342 HydrophobicContact CG-CG2 4.39Å; L309-L344 HydrophobicContact CD2-CD2 3.7Å; L309-R364 VanDerWaalsContact CD1-CD 3.48Å |
| 310 | V | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.2 | 174 | -168 | 0 | 0 | 0 | 0 | 107.9 | F233 V257 L274 I287 I294 S323 A324 V326 | F233-V310 HydrophobicContact CE1-CG1 4.31Å; F233-V310 HydrophobicContact CZ-CB 4.32Å; F233-V310 HydrophobicContact CZ-CG1 4.1Å; V257-V310 HydrophobicContact CG1-CG2 4.44Å; V257-V310 HydrophobicContact CG2-CG1 3.91Å; L274-V310 HydrophobicContact CD2-CG2 3.9Å; I287-V310 HydrophobicContact CD1-CG1 3.47Å; I287-V310 VanDerWaalsContact CD1-CG1 3.47Å; I294-V310 HydrophobicContact CD1-CG2 3.78Å; V310-S323 CarbonylContact O-C 3.34Å; V310-S323 WeakPolarHBondContact O-CA 3.39Å; V310-S323 WeakPolarHBondContact O-CB 3.46Å; V310-A324 PolarHBondContact N-O 2.92Å; V310-A324 PolarHBondContact O-N 2.48Å; V310-V326 HydrophobicContact CG2-CB 4.4Å; V310-V326 HydrophobicContact CG2-CG2 3.5Å; V310-V326 VanDerWaalsContact CG2-CG2 3.5Å |
| 311 | L | 93.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.6 | 176.5 | -51.5 | 174.8 | 0 | 0 | 0 | 107.8 | Y272 R273 A275 L309 S322 S323 | Y272-L311 WeakPolarHBondContact CA-O 3Å; R273-L311 HydrophobicContact CG-CB 3.71Å; R273-L311 HydrophobicContact CG-CD1 4.24Å; R273-L311 HydrophobicContact CG-CG 4.4Å; R273-L311 PolarHBondContact N-O 2.9Å; R273-L311 VanDerWaalsContact NH2-CD1 3.25Å; R273-L311 PolarHBondContact O-N 2.65Å; A275-L311 HydrophobicContact CB-CD1 3.68Å; A275-L311 HydrophobicContact CB-CD2 4.42Å; A275-L311 HydrophobicContact CB-CG 3.98Å; L309-L311 HydrophobicContact CD2-CD2 3.97Å; L309-L311 HydrophobicContact CG-CD2 3.96Å; L311-S322 WeakPolarHBondContact CA-O 3.38Å; L311-S323 VanDerWaalsContact CD2-CB 3.47Å |
| 312 | A | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | P231 F233 A259 V270 Y272 E321 S322 | P231-A312 HydrophobicContact CB-CB 3.88Å; F233-A312 HydrophobicContact CD2-CB 4.34Å; F233-A312 HydrophobicContact CE1-CB 4.15Å; F233-A312 HydrophobicContact CE2-CB 3.47Å; F233-A312 VanDerWaalsContact CE2-CB 3.47Å; F233-A312 HydrophobicContact CZ-CB 3.37Å; A259-A312 HydrophobicContact CB-CB 3.69Å; V270-A312 HydrophobicContact CG1-CB 3.78Å; Y272-A312 HydrophobicContact CD1-CB 4.17Å; Y272-A312 HydrophobicContact CE1-CB 4.19Å; A312-E321 CarbonylContact O-C 3.58Å; A312-E321 VanDerWaalsContact O-CA 3.22Å; A312-E321 WeakPolarHBondContact O-CA 3.26Å; A312-S322 PolarHBondContact N-O 2.73Å; A312-S322 PolarHBondContact O-N 2.92Å |
| 313 | R | 95.7 | Very high | 89.8 | Confident | 106 Ų | 106 | 49.2 Ų | 49.2 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.1 | -177.7 | -174.1 | -166 | 178.2 | 163.2 | 11.9 | 108.2 | E271 P319 L320 E321 | E271-R313 PolarHBondContact N-O 2.89Å; E271-R313 PolarHBondContact O-N 3.46Å; R313-P319 HydrophobicContact CG-CB 3.63Å; R313-P319 VanDerWaalsContact NE-CG 3.34Å; R313-L320 WeakPolarHBondContact CA-O 3.26Å; R313-E321 HydrophobicContact CB-CB 4.32Å; R313-E321 HydrophobicContact CG-CB 4.4Å |
| 314 | D | 97.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | trans | -73 | 175.4 | 170.8 | 65.4 | 55.6 | 0 | 0 | 0 | 112.5 | N227 P231 N267 Q269 G316 P319 L320 | N227-D314 VanDerWaalsContact ND2-CG 3.3Å; N227-D314 PolarHBondContact ND2-OD1 2.74Å; N227-D314 PolarHBondContact ND2-OD2 2.81Å; N227-D314 VanDerWaalsContact OD1-CG 3.24Å; N227-D314 PolarHBondContact OD1-OD1 2.97Å; N227-D314 PolarHBondContact OD1-OD2 2.97Å; P231-D314 HydrophobicContact CG-CB 4.15Å; N267-D314 WeakPolarHBondContact O-CB 3.45Å; Q269-D314 CarbonylContact O-C 3.56Å; Q269-D314 WeakPolarHBondContact O-CA 3.34Å; D314-G316 WeakPolarHBondContact OD1-CA 3.48Å; D314-G316 PolarHBondContact OD1-N 2.85Å; D314-P319 WeakPolarHBondContact OD1-CA 3.48Å; D314-P319 VanDerWaalsContact OD1-CB 3.25Å; D314-P319 WeakPolarHBondContact OD1-CB 3.48Å; D314-L320 PolarHBondContact N-O 2.75Å; D314-L320 VanDerWaalsContact N-O 3.17Å; D314-L320 WeakPolarHBondContact OD2-CA 3.18Å; D314-L320 WeakPolarHBondContact OD2-CB 3.43Å; D314-L320 PolarHBondContact OD2-N 3.29Å | ||
| 315 | K | 95.7 | Very high | 90.5 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | trans | -106.1 | 25.1 | 176.6 | -67.2 | -179.4 | -171.6 | 176.1 | 0 | 112.5 | R266 Q269 D290 | R266-K315 HydrophobicContact CB-CB 4.39Å; R266-K315 PolarHBondContact NE-O 2.87Å; R266-K315 CarbonylContact O-C 3.48Å; R266-K315 VanDerWaalsContact O-C 3.24Å; R266-K315 VanDerWaalsContact O-CA 3.32Å; R266-K315 WeakPolarHBondContact O-CA 3.46Å; R266-K315 WeakPolarHBondContact O-CB 3.49Å; R266-K315 PolarHBondContact O-N 2.82Å; R266-K315 VanDerWaalsContact O-N 3.09Å; Q269-K315 HydrophobicContact CB-CB 4.39Å; Q269-K315 HydrophobicContact CB-CD 4.26Å; Q269-K315 HydrophobicContact CB-CG 4.5Å; Q269-K315 HydrophobicContact CG-CD 3.95Å; Q269-K315 WeakPolarHBondContact O-CG 3.38Å; Q269-K315 PolarHBondContact O-N 3Å; Q269-K315 VanDerWaalsContact O-N 3.1Å; D290-K315 IonicContact OD1-NZ 3.18Å | ||
| 316 | G | 93.1 | Very high | 91 | Very high | 13 Ų | 13 | 39 Ų | 39 | 13% | 0.134 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -66.5 | 175.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R266 N267 D314 P319 | R266-G316 PolarHBondContact O-N 2.93Å; N267-G316 WeakPolarHBondContact OD1-CA 3.42Å; D314-G316 WeakPolarHBondContact OD1-CA 3.48Å; D314-G316 PolarHBondContact OD1-N 2.85Å; G316-P319 VanDerWaalsContact O-CG 3.25Å; G316-P319 WeakPolarHBondContact O-CG 3.32Å |
| 317 | Q | 88.9 | Confident | 91.1 | Very high | 194 Ų | 194 | 38 Ų | 38 | 91% | 0.907 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -73.6 | -37.9 | 178 | -173.7 | 176.8 | 6.6 | 0 | 0 | 112 | P319 | Q317-P319 WeakPolarHBondContact O-CD 3.26Š|
| 318 | Q | 90.2 | Very high | 91.3 | Very high | 164 Ų | 164 | 37 Ų | 37 | 77% | 0.766 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -116.7 | 85.6 | 168.7 | -67.5 | -171.6 | 7.7 | 0 | 0 | 108.2 | N227 L320 | N227-Q318 PolarHBondContact ND2-O 3.27Å; N227-Q318 VanDerWaalsContact ND2-O 3.11Å; Q318-L320 PolarHBondContact O-N 2.85Å |
| 319 | P | 93.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | trans | -67.4 | 140.8 | -170.1 | -29.9 | 39.9 | 0 | 0 | 0 | 113.9 | R313 D314 G316 Q317 | R313-P319 HydrophobicContact CG-CB 3.63Å; R313-P319 VanDerWaalsContact NE-CG 3.34Å; D314-P319 WeakPolarHBondContact OD1-CA 3.48Å; D314-P319 VanDerWaalsContact OD1-CB 3.25Å; D314-P319 WeakPolarHBondContact OD1-CB 3.48Å; G316-P319 VanDerWaalsContact O-CG 3.25Å; G316-P319 WeakPolarHBondContact O-CG 3.32Å; Q317-P319 WeakPolarHBondContact O-CD 3.26Å | ||
| 320 | L | 93.6 | Very high | 90.7 | Very high | 59 Ų | 59 | 38.2 Ų | 38.2 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | trans | -93.6 | 149.8 | 168.8 | -58.2 | 176.8 | 0 | 0 | 0 | 108.9 | N227 N229 A230 R313 D314 Q318 | N227-L320 WeakPolarHBondContact O-CD1 3.38Å; N229-L320 WeakPolarHBondContact O-CD1 3.41Å; A230-L320 HydrophobicContact CB-CB 3.69Å; A230-L320 HydrophobicContact CB-CD1 4.42Å; R313-L320 WeakPolarHBondContact CA-O 3.26Å; D314-L320 PolarHBondContact N-O 2.75Å; D314-L320 VanDerWaalsContact N-O 3.17Å; D314-L320 WeakPolarHBondContact OD2-CA 3.18Å; D314-L320 WeakPolarHBondContact OD2-CB 3.43Å; D314-L320 PolarHBondContact OD2-N 3.29Å; Q318-L320 PolarHBondContact O-N 2.85Å | ||
| 321 | E | 91.2 | Very high | 89.5 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.6 | -179.9 | 66.5 | 173.3 | -160.4 | 0 | 0 | 112 | R273 A312 R313 | R273-E321 IonicContact CZ-OE2 3.71Å; R273-E321 IonicContact NH2-OE2 3.61Å; R273-E321 PolarHBondContact NH2-OE2 3.05Å; A312-E321 CarbonylContact O-C 3.58Å; A312-E321 VanDerWaalsContact O-CA 3.22Å; A312-E321 WeakPolarHBondContact O-CA 3.26Å; R313-E321 HydrophobicContact CB-CB 4.32Å; R313-E321 HydrophobicContact CG-CB 4.4Å |
| 322 | S | 91.5 | Very high | 87.9 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 176.2 | 167.2 | 77.6 | 0 | 0 | 0 | 0 | 110.5 | P231 F233 L311 A312 | P231-S322 WeakPolarHBondContact O-CB 3.36Å; P231-S322 PolarHBondContact O-OG 2.9Å; F233-S322 WeakPolarHBondContact CD2-OG 3.27Å; F233-S322 WeakPolarHBondContact CE2-OG 3.26Å; L311-S322 WeakPolarHBondContact CA-O 3.38Å; A312-S322 PolarHBondContact N-O 2.73Å; A312-S322 PolarHBondContact O-N 2.92Å |
| 323 | S | 89.4 | Confident | 85.9 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.5 | -176.1 | 60.7 | 0 | 0 | 0 | 0 | 113.8 | V310 L311 R364 | V310-S323 CarbonylContact O-C 3.34Å; V310-S323 WeakPolarHBondContact O-CA 3.39Å; V310-S323 WeakPolarHBondContact O-CB 3.46Å; L311-S323 VanDerWaalsContact CD2-CB 3.47Å; S323-R364 PolarHBondContact O-NH1 2.96Å; S323-R364 PolarHBondContact O-NH2 3.41Å; S323-R364 PolarHBondContact OG-NE 2.75Å; S323-R364 VanDerWaalsContact OG-NE 3.16Å; S323-R364 PolarHBondContact OG-NH1 2.94Å; S323-R364 PolarHBondContact OG-NH2 3.26Å |
| 324 | A | 89.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 148.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F233 P236 Y238 V310 R364 | F233-A324 HydrophobicContact CB-CB 4.09Å; F233-A324 HydrophobicContact CD1-CB 3.8Å; F233-A324 HydrophobicContact CD2-CB 3.71Å; F233-A324 HydrophobicContact CE1-CB 4.11Å; F233-A324 HydrophobicContact CE2-CB 4.02Å; F233-A324 HydrophobicContact CG-CB 3.58Å; F233-A324 HydrophobicContact CZ-CB 4.2Å; P236-A324 WeakPolarHBondContact O-CA 3.07Å; Y238-A324 HydrophobicContact CD2-CB 4.19Å; Y238-A324 HydrophobicContact CE2-CB 3.72Å; V310-A324 PolarHBondContact N-O 2.92Å; V310-A324 PolarHBondContact O-N 2.48Å; A324-R364 VanDerWaalsContact CA-NH1 3.32Å |
| 325 | F | 86.9 | Confident | 82 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139 | 174 | -84.2 | -66.9 | 0 | 0 | 0 | 111.2 | P236 R237 Y238 E307 L308 L309 I342 R364 V399 | P236-F325 PolarHBondContact O-N 3.2Å; R237-F325 CarbonylContact C-O 3.6Å; R237-F325 WeakPolarHBondContact CA-O 3.29Å; R237-F325 HydrophobicContact CB-CB 4.39Å; R237-F325 HydrophobicContact CG-CB 4.08Å; Y238-F325 PolarHBondContact N-O 2.89Å; E307-F325 HydrophobicContact CG-CD1 3.82Å; E307-F325 HydrophobicContact CG-CE1 4.15Å; L308-F325 WeakPolarHBondContact O-CA 3.25Å; L309-F325 HydrophobicContact CD1-CD1 4.39Å; L309-F325 HydrophobicContact CD1-CE1 4.35Å; F325-I342 HydrophobicContact CE1-CD1 4.08Å; F325-R364 HydrophobicContact CE1-CB 4.46Å; F325-R364 HydrophobicContact CE2-CB 3.75Å; F325-R364 HydrophobicContact CE2-CG 4.24Å; F325-R364 HydrophobicContact CZ-CB 3.45Å; F325-R364 VanDerWaalsContact CZ-CB 3.45Å; F325-R364 HydrophobicContact CZ-CG 4.37Å; F325-V399 HydrophobicContact CD2-CG1 4.24Å; F325-V399 HydrophobicContact CE2-CG1 3.9Å |
| 326 | V | 89.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 110.6 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | Y238 I255 V257 I294 E307 L308 V310 I328 | Y238-V326 HydrophobicContact CD2-CG2 4.04Å; Y238-V326 HydrophobicContact CG-CG2 4.46Å; Y238-V326 WeakPolarHBondContact O-CA 3.14Å; I255-V326 HydrophobicContact CG2-CG1 3.78Å; V257-V326 HydrophobicContact CG1-CG2 3.75Å; I294-V326 HydrophobicContact CD1-CB 4.32Å; I294-V326 HydrophobicContact CD1-CG1 4.22Å; I294-V326 HydrophobicContact CD1-CG2 3.86Å; E307-V326 WeakPolarHBondContact CA-O 3.46Å; L308-V326 HydrophobicContact CB-CB 4.32Å; L308-V326 PolarHBondContact N-O 2.97Å; L308-V326 PolarHBondContact O-N 2.79Å; V310-V326 HydrophobicContact CG2-CB 4.4Å; V310-V326 HydrophobicContact CG2-CG2 3.5Å; V310-V326 VanDerWaalsContact CG2-CG2 3.5Å; V326-I328 HydrophobicContact CG1-CD1 4.28Å; V326-I328 HydrophobicContact CG1-CG1 3.89Å |
| 327 | A | 85.6 | Confident | 80 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 5% | 0.05 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y238 E239 V240 F305 | Y238-A327 PolarHBondContact O-N 2.84Å; E239-A327 WeakPolarHBondContact CA-O 3.31Å; E239-A327 HydrophobicContact CG-CB 4.4Å; V240-A327 PolarHBondContact N-O 3.18Å; F305-A327 HydrophobicContact CE2-CB 4.27Å; F305-A327 HydrophobicContact CZ-CB 4.41Å |
| 328 | I | 86.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.2 | -176.1 | -48.9 | 170.7 | 0 | 0 | 0 | 107.9 | V240 L242 I254 F285 M302 F305 Y306 L308 V326 | V240-I328 HydrophobicContact CG1-CB 3.99Å; V240-I328 HydrophobicContact CG1-CG1 3.88Å; V240-I328 HydrophobicContact CG1-CG2 3.59Å; L242-I328 HydrophobicContact CD1-CG2 3.88Å; L242-I328 HydrophobicContact CG-CG2 4.34Å; I254-I328 HydrophobicContact CG2-CD1 4.02Å; I254-I328 HydrophobicContact CG2-CG1 4.37Å; I254-I328 HydrophobicContact CG2-CG2 4.28Å; F285-I328 HydrophobicContact CD1-CD1 4.02Å; F285-I328 HydrophobicContact CE1-CD1 3.43Å; F285-I328 VanDerWaalsContact CE1-CD1 3.43Å; F285-I328 HydrophobicContact CZ-CD1 3.74Å; M302-I328 HydrophobicContact CE-CB 4.27Å; M302-I328 HydrophobicContact CE-CG2 3.25Å; F305-I328 CarbonylContact C-O 3.54Å; F305-I328 VanDerWaalsContact CA-O 3.26Å; F305-I328 WeakPolarHBondContact CA-O 3.29Å; Y306-I328 PolarHBondContact N-O 2.79Å; Y306-I328 PolarHBondContact O-N 2.8Å; L308-I328 HydrophobicContact CD1-CD1 3.72Å; L308-I328 HydrophobicContact CG-CD1 4.3Å; V326-I328 HydrophobicContact CG1-CD1 4.28Å; V326-I328 HydrophobicContact CG1-CG1 3.89Å |
| 329 | S | 83 | Confident | 79.3 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.4 | 177.5 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | V240 H241 L242 R304 | V240-S329 PolarHBondContact O-N 3.4Å; H241-S329 CarbonylContact C-O 3.6Å; H241-S329 WeakPolarHBondContact CA-O 3.42Å; H241-S329 PolarHBondContact CE1-OG 3.39Å; H241-S329 PolarHBondContact ND1-OG 3.38Å; L242-S329 PolarHBondContact N-O 3.14Å; R304-S329 WeakPolarHBondContact O-CA 3.09Å |
| 330 | T | 79.9 | Confident | 78.9 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.129 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -113.4 | -10 | -175.7 | 60 | 0 | 0 | 0 | 0 | 113.7 | L242 S245 M302 G303 R304 | L242-T330 HydrophobicContact CB-CG2 4.32Å; L242-T330 WeakPolarHBondContact O-CA 3.19Å; S245-T330 VanDerWaalsContact CB-CG2 3.49Å; M302-T330 HydrophobicContact CE-CG2 3.36Å; M302-T330 HydrophobicContact CG-CG2 4Å; M302-T330 HydrophobicContact SD-CG2 3.54Å; M302-T330 VanDerWaalsContact SD-CG2 3.54Å; G303-T330 WeakPolarHBondContact O-CG2 3.43Å; G303-T330 PolarHBondContact O-OG1 3.27Å; R304-T330 WeakPolarHBondContact CA-OG1 3.23Å; R304-T330 PolarHBondContact O-N 2.67Å |
| 331 | S | 69 | Low | 78.6 | Confident | 49 Ų | 49 | 42.5 Ų | 42.5 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | trans | -152.4 | 137.3 | 176 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | G333 | S331-G333 PolarHBondContact O-N 3.25Å; S331-G333 VanDerWaalsContact O-N 3.07Å | ||
| 332 | V | 58.6 | Low | 78.4 | Confident | 126 Ų | 126 | 38.6 Ų | 38.6 | 76% | 0.764 | 22% | 0.215 | S | C | * | . | trans | -82.6 | 73.6 | 171.3 | -170.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 333 | G | 54 | Low | 78.3 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 25% | 0.247 | 21% | 0.208 | C | C | . | . | trans | -107.8 | 160.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S331 D335 | S331-G333 PolarHBondContact O-N 3.25Å; S331-G333 VanDerWaalsContact O-N 3.07Å; G333-D335 PolarHBondContact O-N 3.07Å | ||
| 334 | M | 52.6 | Low | 78.2 | Confident | 191 Ų | 191 | 39 Ų | 39 | 94% | 0.941 | 21% | 0.212 | S | C | * | . | trans | -65.5 | 50.3 | 179.4 | -62.5 | -151.2 | -69.8 | 0 | 0 | 114.2 | ||||
| 335 | D | 58.5 | Low | 78.1 | Confident | 32 Ų | 32 | 40 Ų | 40 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 140.2 | 174.8 | -87.2 | 12.8 | 0 | 0 | 0 | 109.4 | R304 G333 K338 P370 | R304-D335 IonicContact NH1-OD1 2.79Å; G333-D335 PolarHBondContact O-N 3.07Å; D335-K338 IonicContact OD2-NZ 3.82Å; D335-K338 PolarHBondContact OD2-NZ 2.92Å; D335-P370 HydrophobicContact CB-CB 4.02Å; D335-P370 HydrophobicContact CB-CG 3.66Å |
| 336 | K | 68.9 | Low | 77.9 | Confident | 172 Ų | 172 | 46 Ų | 46 | 75% | 0.748 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 160.1 | 175.6 | -64.3 | 179.2 | -179.8 | 179.7 | 0 | 109.8 | K338 | K336-K338 PolarHBondContact O-N 3.05Š|
| 337 | L | 78.9 | Confident | 77.6 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -46.2 | 128.9 | 168.4 | -161.6 | 74.4 | 0 | 0 | 0 | 109.6 | V367 D369 L377 A422 K430 A432 | L337-V367 HydrophobicContact CD1-CG1 3.68Å; L337-V367 HydrophobicContact CD2-CG1 4.05Å; L337-V367 HydrophobicContact CG-CG1 3.81Å; L337-D369 HydrophobicContact CD1-CB 4.06Å; L337-L377 HydrophobicContact CD1-CD1 4.02Å; L337-L377 HydrophobicContact CD1-CD2 4.36Å; L337-A422 HydrophobicContact CD2-CB 3.8Å; L337-K430 HydrophobicContact CB-CB 4.46Å; L337-A432 HydrophobicContact CB-CB 4.2Å; L337-A432 HydrophobicContact CD2-CB 4.19Å; L337-A432 HydrophobicContact CG-CB 4.27Å; L337-A432 WeakPolarHBondContact O-CB 3.27Å |
| 338 | K | 79.6 | Confident | 77.5 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137 | 177 | -68.8 | -178.7 | -174 | 167.9 | 0 | 109.1 | F305 D335 K336 V367 S368 | F305-K338 HydrophobicContact CD1-CD 4.03Å; D335-K338 IonicContact OD2-NZ 3.82Å; D335-K338 PolarHBondContact OD2-NZ 2.92Å; K336-K338 PolarHBondContact O-N 3.05Å; K338-V367 WeakPolarHBondContact O-CA 3.24Å; K338-S368 PolarHBondContact N-O 3.04Å; K338-S368 PolarHBondContact O-N 3.22Å |
| 339 | L | 84.6 | Confident | 77.7 | Confident | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.8 | 176.5 | -178.3 | 65.5 | 0 | 0 | 0 | 108.4 | V365 S366 V367 L381 L420 A422 A432 R434 | L339-V365 HydrophobicContact CD1-CG1 3.79Å; L339-S366 WeakPolarHBondContact CA-O 3.36Å; L339-V367 HydrophobicContact CD1-CG2 3.87Å; L339-L381 HydrophobicContact CD1-CD2 3.7Å; L339-L420 HydrophobicContact CD2-CB 3.78Å; L339-L420 VanDerWaalsContact CD2-O 3.31Å; L339-L420 WeakPolarHBondContact CD2-O 3.29Å; L339-A422 HydrophobicContact CD1-CB 4.12Å; L339-A432 HydrophobicContact CB-CB 3.86Å; L339-R434 HydrophobicContact CD2-CB 3.84Å; L339-R434 HydrophobicContact CG-CB 4.22Å; L339-R434 WeakPolarHBondContact O-CD 3.31Å |
| 340 | G | 83.9 | Confident | 78.1 | Confident | 18 Ų | 18 | 55 Ų | 55 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 150.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V365 S366 | G340-V365 WeakPolarHBondContact O-CA 3.45Å; G340-S366 VanDerWaalsContact CA-OG 3.29Å; G340-S366 WeakPolarHBondContact CA-OG 3.23Å; G340-S366 PolarHBondContact N-O 3.3Å; G340-S366 PolarHBondContact O-N 2.71Å; G340-S366 PolarHBondContact O-OG 2.87Å |
| 341 | I | 87.5 | Confident | 78.8 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 127 | 170.4 | -43.5 | 154.8 | 0 | 0 | 0 | 106.8 | F343 R364 V365 L420 R434 V436 | I341-F343 HydrophobicContact CG2-CE1 4.46Å; I341-F343 HydrophobicContact CG2-CE2 4.17Å; I341-F343 HydrophobicContact CG2-CZ 4Å; I341-R364 CarbonylContact C-O 3.14Å; I341-R364 VanDerWaalsContact CA-O 3.23Å; I341-R364 WeakPolarHBondContact CA-O 3.32Å; I341-V365 HydrophobicContact CG1-CG2 4.32Å; I341-V365 HydrophobicContact CG2-CG2 4.29Å; I341-L420 HydrophobicContact CD1-CD1 3.27Å; I341-L420 HydrophobicContact CD1-CG 4.46Å; I341-L420 HydrophobicContact CG1-CD1 3.92Å; I341-R434 HydrophobicContact CD1-CG 4.24Å; I341-R434 PolarHBondContact O-NH1 3.36Å; I341-V436 HydrophobicContact CD1-CG2 3.44Å; I341-V436 VanDerWaalsContact CD1-CG2 3.44Å |
| 342 | I | 86.7 | Confident | 80.1 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.3 | 173.3 | -61.6 | 173.8 | 0 | 0 | 0 | 106.4 | A275 L309 F325 G363 R364 | A275-I342 HydrophobicContact CB-CG2 4.4Å; L309-I342 HydrophobicContact CB-CB 4.42Å; L309-I342 HydrophobicContact CB-CD1 3.58Å; L309-I342 HydrophobicContact CB-CG2 3.96Å; L309-I342 HydrophobicContact CD2-CB 4.16Å; L309-I342 HydrophobicContact CD2-CG2 3.54Å; L309-I342 HydrophobicContact CG-CG2 4.39Å; F325-I342 HydrophobicContact CE1-CD1 4.08Å; I342-G363 CarbonylContact O-C 3.58Å; I342-G363 WeakPolarHBondContact O-CA 3.42Å; I342-R364 PolarHBondContact N-O 2.93Å; I342-R364 PolarHBondContact O-N 2.53Å |
| 343 | F | 89.7 | Confident | 81.8 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.6 | 179.3 | -69.1 | -84.1 | 0 | 0 | 0 | 110 | I341 S345 S349 P350 I362 L402 V436 I438 | I341-F343 HydrophobicContact CG2-CE1 4.46Å; I341-F343 HydrophobicContact CG2-CE2 4.17Å; I341-F343 HydrophobicContact CG2-CZ 4Å; F343-S345 VanDerWaalsContact C-N 3.3Å; F343-S349 WeakPolarHBondContact CB-O 3.41Å; F343-S349 WeakPolarHBondContact CG-O 3.15Å; F343-P350 HydrophobicContact CD1-CB 4.27Å; F343-P350 HydrophobicContact CD2-CB 3.95Å; F343-P350 HydrophobicContact CE1-CB 3.92Å; F343-P350 HydrophobicContact CE2-CB 3.6Å; F343-P350 HydrophobicContact CG-CB 4.31Å; F343-P350 HydrophobicContact CZ-CB 3.62Å; F343-I362 HydrophobicContact CD1-CG2 4.15Å; F343-I362 HydrophobicContact CE1-CG2 4.39Å; F343-L402 HydrophobicContact CE1-CD2 4.06Å; F343-V436 HydrophobicContact CE1-CG1 4.28Å; F343-V436 HydrophobicContact CE2-CG1 4.17Å; F343-V436 HydrophobicContact CZ-CG1 3.44Å; F343-V436 VanDerWaalsContact CZ-CG1 3.44Å; F343-V436 HydrophobicContact CZ-CG2 4.34Å; F343-I438 HydrophobicContact CE1-CG1 4.47Å |
| 344 | L | 87.4 | Confident | 83.8 | Confident | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | trans | -92.7 | 6.6 | 179.1 | -59.9 | 176.8 | 0 | 0 | 0 | 112 | L309 L361 I362 | L309-L344 HydrophobicContact CD2-CD2 3.7Å; L344-L361 HydrophobicContact CD1-CB 3.76Å; L344-I362 PolarHBondContact N-O 2.86Å | ||
| 345 | S | 88.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -59.2 | 149.5 | 168.3 | 54 | 0 | 0 | 0 | 0 | 110.3 | F343 D347 G348 S349 | F343-S345 VanDerWaalsContact C-N 3.3Å; S345-D347 PolarHBondContact O-N 2.87Å; S345-D347 VanDerWaalsContact O-N 3.08Å; S345-D347 PolarHBondContact OG-OD1 3.18Å; S345-G348 PolarHBondContact O-N 3.35Å; S345-G348 VanDerWaalsContact OG-C 3.31Å; S345-G348 WeakPolarHBondContact OG-CA 3.34Å; S345-G348 PolarHBondContact OG-N 3.44Å; S345-S349 WeakPolarHBondContact CB-O 3.32Å; S345-S349 PolarHBondContact OG-N 3.34Å; S345-S349 PolarHBondContact OG-O 3.21Å |
| 346 | P | 81.4 | Confident | 87.6 | Confident | 130 Ų | 130 | 43.7 Ų | 43.7 | 84% | 0.844 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.1 | -175.7 | -28.5 | 35.6 | 0 | 0 | 0 | 114.6 | ||
| 347 | D | 84.4 | Confident | 88.9 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 56% | 0.556 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -1.9 | 179.1 | 68.9 | -13.8 | 0 | 0 | 0 | 113.6 | S345 S349 | S345-D347 PolarHBondContact O-N 2.87Å; S345-D347 VanDerWaalsContact O-N 3.08Å; S345-D347 PolarHBondContact OG-OD1 3.18Å; D347-S349 PolarHBondContact O-N 3.43Å; D347-S349 WeakPolarHBondContact OD1-CB 3.36Å; D347-S349 PolarHBondContact OD1-N 2.73Å; D347-S349 PolarHBondContact OD1-OG 3.3Å; D347-S349 VanDerWaalsContact OD2-CB 3.31Å; D347-S349 WeakPolarHBondContact OD2-CB 3.34Å; D347-S349 PolarHBondContact OD2-OG 2.73Å; D347-S349 VanDerWaalsContact OD2-OG 3.04Å |
| 348 | G | 83.7 | Confident | 89.7 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | trans | 71.3 | 11.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S345 | S345-G348 PolarHBondContact O-N 3.35Å; S345-G348 VanDerWaalsContact OG-C 3.31Å; S345-G348 WeakPolarHBondContact OG-CA 3.34Å; S345-G348 PolarHBondContact OG-N 3.44Å | ||
| 349 | S | 89.9 | Confident | 90.4 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | trans | -75.2 | 154.3 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | F343 S345 D347 S351 | F343-S349 WeakPolarHBondContact CB-O 3.41Å; F343-S349 WeakPolarHBondContact CG-O 3.15Å; S345-S349 WeakPolarHBondContact CB-O 3.32Å; S345-S349 PolarHBondContact OG-N 3.34Å; S345-S349 PolarHBondContact OG-O 3.21Å; D347-S349 PolarHBondContact O-N 3.43Å; D347-S349 WeakPolarHBondContact OD1-CB 3.36Å; D347-S349 PolarHBondContact OD1-N 2.73Å; D347-S349 PolarHBondContact OD1-OG 3.3Å; D347-S349 VanDerWaalsContact OD2-CB 3.31Å; D347-S349 WeakPolarHBondContact OD2-CB 3.34Å; D347-S349 PolarHBondContact OD2-OG 2.73Å; D347-S349 VanDerWaalsContact OD2-OG 3.04Å; S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-OG 2.72Å | ||
| 350 | P | 93 | Very high | 90.8 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -74.2 | 74 | 172.9 | 33.2 | -36.1 | 0 | 0 | 0 | 110.5 | F343 V436 Q437 I438 R439 | F343-P350 HydrophobicContact CD1-CB 4.27Å; F343-P350 HydrophobicContact CD2-CB 3.95Å; F343-P350 HydrophobicContact CE1-CB 3.92Å; F343-P350 HydrophobicContact CE2-CB 3.6Å; F343-P350 HydrophobicContact CG-CB 4.31Å; F343-P350 HydrophobicContact CZ-CB 3.62Å; P350-V436 HydrophobicContact CB-CG1 3.93Å; P350-Q437 VanDerWaalsContact CB-O 3.32Å; P350-Q437 WeakPolarHBondContact CB-O 3.26Å; P350-Q437 VanDerWaalsContact CG-O 3.29Å; P350-Q437 WeakPolarHBondContact CG-O 3.31Å; P350-I438 CarbonylContact O-C 3.59Å; P350-I438 VanDerWaalsContact O-CA 3.29Å; P350-I438 WeakPolarHBondContact O-CA 3.27Å; P350-R439 PolarHBondContact O-N 3.34Å |
| 351 | S | 94.5 | Very high | 91.1 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 154.8 | -178.6 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | S349 R439 | S349-S351 PolarHBondContact O-N 2.91Å; S349-S351 PolarHBondContact OG-OG 2.72Å; S351-R439 CarbonylContact C-O 3.6Å; S351-R439 WeakPolarHBondContact CA-O 3.36Å |
| 352 | V | 95.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.1 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | T356 I362 F391 I438 R439 I440 T441 | V352-T356 HydrophobicContact CG2-CG2 3.96Å; V352-T356 WeakPolarHBondContact CG2-OG1 3.49Å; V352-I362 HydrophobicContact CB-CD1 4.12Å; V352-I362 HydrophobicContact CG2-CD1 3.49Å; V352-I362 VanDerWaalsContact CG2-CD1 3.49Å; V352-F391 HydrophobicContact CG1-CE1 4.47Å; V352-F391 HydrophobicContact CG1-CZ 4.46Å; V352-I438 HydrophobicContact CG1-CG2 3.9Å; V352-R439 PolarHBondContact N-O 2.86Å; V352-I440 HydrophobicContact CG1-CD1 3.3Å; V352-I440 CarbonylContact O-C 3.38Å; V352-I440 VanDerWaalsContact O-CA 3.29Å; V352-I440 WeakPolarHBondContact O-CA 3.44Å; V352-T441 PolarHBondContact O-N 3.33Å; V352-T441 PolarHBondContact O-OG1 2.88Å |
| 353 | S | 95.4 | Very high | 91.5 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 142.5 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | D355 T356 T441 V443 | S353-D355 VanDerWaalsContact C-N 3.28Å; S353-D355 WeakPolarHBondContact CB-OD1 3.42Å; S353-D355 PolarHBondContact O-N 2.76Å; S353-D355 PolarHBondContact OG-OD1 3.37Å; S353-T356 PolarHBondContact N-OG1 3.01Å; S353-T356 WeakPolarHBondContact O-CB 3.37Å; S353-T356 PolarHBondContact O-N 2.73Å; S353-T356 PolarHBondContact O-OG1 2.88Å; S353-T441 WeakPolarHBondContact CA-OG1 3.35Å; S353-T441 PolarHBondContact N-OG1 3.38Å; S353-V443 WeakPolarHBondContact OG-CG2 3.48Å |
| 354 | E | 96.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -27 | -175.8 | 70.5 | -167.4 | 121.4 | 0 | 0 | 114.6 | T356 R410 I440 T441 D442 V443 | E354-T356 PolarHBondContact O-N 3.24Å; E354-R410 HydrophobicContact CB-CB 4.49Å; E354-R410 WeakPolarHBondContact OE2-CB 3.41Å; E354-R410 PolarHBondContact OE2-N 2.91Å; E354-I440 HydrophobicContact CB-CG2 3.7Å; E354-T441 PolarHBondContact N-O 3.28Å; E354-T441 VanDerWaalsContact N-O 3.13Å; E354-D442 VanDerWaalsContact OE1-CA 3.27Å; E354-D442 WeakPolarHBondContact OE1-CA 3.47Å; E354-V443 HydrophobicContact CG-CB 3.81Å; E354-V443 HydrophobicContact CG-CG2 3.89Å; E354-V443 PolarHBondContact OE1-N 3.42Å |
| 355 | D | 95 | Very high | 91.5 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.2 | 171.8 | 71.1 | -24.8 | 0 | 0 | 0 | 113.7 | S353 K357 V443 | S353-D355 VanDerWaalsContact C-N 3.28Å; S353-D355 WeakPolarHBondContact CB-OD1 3.42Å; S353-D355 PolarHBondContact O-N 2.76Å; S353-D355 PolarHBondContact OG-OD1 3.37Å; D355-K357 PolarHBondContact O-N 2.69Å; D355-V443 HydrophobicContact CB-CG1 4.34Å; D355-V443 HydrophobicContact CB-CG2 4.01Å |
| 356 | T | 95.2 | Very high | 91.2 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 17% | 0.166 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 124.2 | -180 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | V352 S353 E354 T360 I362 L404 | V352-T356 HydrophobicContact CG2-CG2 3.96Å; V352-T356 WeakPolarHBondContact CG2-OG1 3.49Å; S353-T356 PolarHBondContact N-OG1 3.01Å; S353-T356 WeakPolarHBondContact O-CB 3.37Å; S353-T356 PolarHBondContact O-N 2.73Å; S353-T356 PolarHBondContact O-OG1 2.88Å; E354-T356 PolarHBondContact O-N 3.24Å; T356-T360 HydrophobicContact CG2-CG2 3.73Å; T356-I362 HydrophobicContact CG2-CD1 4.24Å; T356-L404 HydrophobicContact CG2-CD2 3.79Å; T356-L404 WeakPolarHBondContact O-CD2 3.3Å |
| 357 | K | 96 | Very high | 91.3 | Very high | 162 Ų | 162 | 40.7 Ų | 40.7 | 70% | 0.704 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -70.4 | 143.6 | -180 | -65.4 | -178.6 | -176.7 | 175 | 0 | 111.9 | D355 T360 | D355-K357 PolarHBondContact O-N 2.69Å; K357-T360 WeakPolarHBondContact O-CB 3.44Å; K357-T360 PolarHBondContact O-N 3.41Å; K357-T360 PolarHBondContact O-OG1 2.74Å |
| 358 | P | 96.4 | Very high | 91 | Very high | 70 Ų | 70 | 36 Ų | 36 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 140.6 | 168.5 | -25.1 | 34.8 | 0 | 0 | 0 | 111.8 | L404 P407 | P358-L404 CarbonylContact C-O 3.57Å; P358-P407 HydrophobicContact CG-CB 4.48Å |
| 359 | G | 93.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -15.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | L404 | G359-L404 PolarHBondContact N-O 3.19Š|
| 360 | T | 92.8 | Very high | 89.8 | Confident | 59 Ų | 59 | 34.7 Ų | 34.7 | 36% | 0.362 | 21% | 0.205 | S | C | . | . | trans | -66.1 | 140.8 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | T356 K357 I403 L404 | T356-T360 HydrophobicContact CG2-CG2 3.73Å; K357-T360 WeakPolarHBondContact O-CB 3.44Å; K357-T360 PolarHBondContact O-N 3.41Å; K357-T360 PolarHBondContact O-OG1 2.74Å; T360-I403 VanDerWaalsContact O-CA 3.31Å; T360-I403 WeakPolarHBondContact O-CA 3.34Å; T360-L404 PolarHBondContact O-N 3.13Å | ||
| 361 | L | 90.7 | Very high | 88.7 | Confident | 74 Ų | 74 | 34.8 Ų | 34.8 | 39% | 0.387 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.2 | 176.1 | -52.5 | -180 | 0 | 0 | 0 | 109.4 | L344 Y401 I403 | L344-L361 HydrophobicContact CD1-CB 3.76Å; L361-Y401 HydrophobicContact CB-CD1 4.42Å; L361-Y401 HydrophobicContact CD1-CD1 3.87Å; L361-Y401 HydrophobicContact CD1-CE1 3.83Å; L361-Y401 HydrophobicContact CD2-CD1 3.92Å; L361-Y401 HydrophobicContact CD2-CG 3.91Å; L361-Y401 HydrophobicContact CG-CD1 4.29Å; L361-I403 HydrophobicContact CD2-CG2 3.65Å |
| 362 | I | 92.7 | Very high | 87.7 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -34.1 | -178.9 | -57 | -53.8 | 0 | 0 | 0 | 111.3 | F343 L344 V352 T356 L402 L404 | F343-I362 HydrophobicContact CD1-CG2 4.15Å; F343-I362 HydrophobicContact CE1-CG2 4.39Å; L344-I362 PolarHBondContact N-O 2.86Å; V352-I362 HydrophobicContact CB-CD1 4.12Å; V352-I362 HydrophobicContact CG2-CD1 3.49Å; V352-I362 VanDerWaalsContact CG2-CD1 3.49Å; T356-I362 HydrophobicContact CG2-CD1 4.24Å; I362-L402 HydrophobicContact CB-CD2 4.48Å; I362-L402 HydrophobicContact CB-CG 4.39Å; I362-L402 HydrophobicContact CG2-CD2 4.28Å; I362-L402 PolarHBondContact N-O 3.45Å; I362-L404 HydrophobicContact CD1-CB 4.14Å; I362-L404 HydrophobicContact CG1-CB 4.09Å |
| 363 | G | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I342 Y401 L402 | I342-G363 CarbonylContact O-C 3.58Å; I342-G363 WeakPolarHBondContact O-CA 3.42Å; G363-Y401 CarbonylContact O-C 3.49Å; G363-Y401 WeakPolarHBondContact O-CA 3.19Å; G363-L402 PolarHBondContact N-O 2.93Å; G363-L402 PolarHBondContact O-N 3.11Å |
| 364 | R | 87.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 39 Ų | 39 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.4 | 167.4 | -81.9 | -177.5 | 148.8 | -169.6 | 9.9 | 110.4 | L309 S323 A324 F325 I341 I342 V399 Y401 | L309-R364 VanDerWaalsContact CD1-CD 3.48Å; S323-R364 PolarHBondContact O-NH1 2.96Å; S323-R364 PolarHBondContact O-NH2 3.41Å; S323-R364 PolarHBondContact OG-NE 2.75Å; S323-R364 VanDerWaalsContact OG-NE 3.16Å; S323-R364 PolarHBondContact OG-NH1 2.94Å; S323-R364 PolarHBondContact OG-NH2 3.26Å; A324-R364 VanDerWaalsContact CA-NH1 3.32Å; F325-R364 HydrophobicContact CE1-CB 4.46Å; F325-R364 HydrophobicContact CE2-CB 3.75Å; F325-R364 HydrophobicContact CE2-CG 4.24Å; F325-R364 HydrophobicContact CZ-CB 3.45Å; F325-R364 VanDerWaalsContact CZ-CB 3.45Å; F325-R364 HydrophobicContact CZ-CG 4.37Å; I341-R364 CarbonylContact C-O 3.14Å; I341-R364 VanDerWaalsContact CA-O 3.23Å; I341-R364 WeakPolarHBondContact CA-O 3.32Å; I342-R364 PolarHBondContact N-O 2.93Å; I342-R364 PolarHBondContact O-N 2.53Å; R364-V399 HydrophobicContact CG-CG1 4.34Å; R364-Y401 HydrophobicContact CG-CD1 3.58Å; R364-Y401 HydrophobicContact CG-CE1 3.47Å; R364-Y401 VanDerWaalsContact CG-CE1 3.47Å; R364-Y401 PolarHBondContact NE-OH 3.02Å; R364-Y401 PolarHBondContact NH2-OH 2.99Å |
| 365 | V | 88.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.1 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | L339 G340 I341 L381 N400 L402 L420 | L339-V365 HydrophobicContact CD1-CG1 3.79Å; G340-V365 WeakPolarHBondContact O-CA 3.45Å; I341-V365 HydrophobicContact CG1-CG2 4.32Å; I341-V365 HydrophobicContact CG2-CG2 4.29Å; V365-L381 HydrophobicContact CG1-CD1 4.06Å; V365-L381 HydrophobicContact CG1-CD2 4.14Å; V365-N400 HydrophobicContact CB-CB 4.04Å; V365-N400 PolarHBondContact N-O 2.69Å; V365-N400 WeakPolarHBondContact O-CB 3.39Å; V365-N400 VanDerWaalsContact O-O 3.13Å; V365-L402 HydrophobicContact CG2-CB 4.02Å; V365-L420 HydrophobicContact CG2-CD1 4.31Å |
| 366 | S | 83.4 | Confident | 83.1 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | E307 L339 G340 | E307-S366 VanDerWaalsContact CD-OG 3.22Å; E307-S366 WeakPolarHBondContact OE1-CB 3.49Å; E307-S366 WeakPolarHBondContact OE2-CB 3.45Å; E307-S366 PolarHBondContact OE2-OG 2.78Å; L339-S366 WeakPolarHBondContact CA-O 3.36Å; G340-S366 VanDerWaalsContact CA-OG 3.29Å; G340-S366 WeakPolarHBondContact CA-OG 3.23Å; G340-S366 PolarHBondContact N-O 3.3Å; G340-S366 PolarHBondContact O-N 2.71Å; G340-S366 PolarHBondContact O-OG 2.87Å |
| 367 | V | 83 | Confident | 82.2 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121 | 169.3 | -170.6 | 0 | 0 | 0 | 0 | 106 | L337 K338 L339 L377 C379 L381 A422 | L337-V367 HydrophobicContact CD1-CG1 3.68Å; L337-V367 HydrophobicContact CD2-CG1 4.05Å; L337-V367 HydrophobicContact CG-CG1 3.81Å; K338-V367 WeakPolarHBondContact O-CA 3.24Å; L339-V367 HydrophobicContact CD1-CG2 3.87Å; V367-L377 HydrophobicContact CG1-CD2 4.21Å; V367-L377 WeakPolarHBondContact O-CD2 3.44Å; V367-C379 HydrophobicContact CG1-CB 4.15Å; V367-L381 HydrophobicContact CG2-CD1 4.18Å; V367-L381 HydrophobicContact CG2-CD2 3.71Å; V367-L381 HydrophobicContact CG2-CG 4.1Å; V367-A422 HydrophobicContact CG1-CB 3.89Å; V367-A422 HydrophobicContact CG2-CB 3.92Å |
| 368 | S | 77.7 | Confident | 81.3 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.6 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 110 | F305 K338 | F305-S368 WeakPolarHBondContact CE1-OG 3.44Å; F305-S368 VanDerWaalsContact CZ-OG 3.23Å; F305-S368 WeakPolarHBondContact CZ-OG 3.23Å; K338-S368 PolarHBondContact N-O 3.04Å; K338-S368 PolarHBondContact O-N 3.22Å |
| 369 | D | 78.3 | Confident | 80.6 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 107.4 | 165.2 | -172.9 | -36.4 | 0 | 0 | 0 | 106.2 | L337 S371 I372 L377 K430 | L337-D369 HydrophobicContact CD1-CB 4.06Å; D369-S371 PolarHBondContact O-N 2.8Å; D369-S371 WeakPolarHBondContact OD1-CB 3.43Å; D369-S371 PolarHBondContact OD1-N 2.85Å; D369-S371 PolarHBondContact OD1-OG 2.69Å; D369-I372 HydrophobicContact CB-CB 4.37Å; D369-I372 CarbonylContact O-C 3.5Å; D369-I372 PolarHBondContact O-N 3.48Å; D369-L377 HydrophobicContact CB-CD1 3.78Å; D369-L377 HydrophobicContact CB-CD2 4.24Å; D369-K430 IonicContact OD1-NZ 2.79Å; D369-K430 IonicContact OD2-NZ 3.49Å; D369-K430 PolarHBondContact OD2-NZ 2.86Å |
| 370 | P | 70.6 | Confident | 80.2 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.8 | -178.4 | -26.6 | 36.3 | 0 | 0 | 0 | 114.7 | F305 D335 | F305-P370 HydrophobicContact CD2-CG 4.26Å; F305-P370 HydrophobicContact CG-CG 4.46Å; D335-P370 HydrophobicContact CB-CB 4.02Å; D335-P370 HydrophobicContact CB-CG 3.66Å |
| 371 | S | 70.9 | Confident | 79.9 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -8.6 | 175.7 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | D369 K430 | D369-S371 PolarHBondContact O-N 2.8Å; D369-S371 WeakPolarHBondContact OD1-CB 3.43Å; D369-S371 PolarHBondContact OD1-N 2.85Å; D369-S371 PolarHBondContact OD1-OG 2.69Å; S371-K430 PolarHBondContact OG-NZ 2.85Å |
| 372 | I | 72.3 | Confident | 79.9 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 38% | 0.379 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -138.1 | 134.2 | -173.8 | -52.8 | 175.2 | 0 | 0 | 0 | 109.4 | D369 N376 | D369-I372 HydrophobicContact CB-CB 4.37Å; D369-I372 CarbonylContact O-C 3.5Å; D369-I372 PolarHBondContact O-N 3.48Å; I372-N376 HydrophobicContact CG2-CB 3.76Å |
| 373 | S | 70.1 | Confident | 79.8 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | trans | -60.6 | 144.2 | 172.9 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | R375 N376 L377 | S373-R375 PolarHBondContact O-N 3.44Å; S373-R375 VanDerWaalsContact O-N 3.16Å; S373-N376 PolarHBondContact O-N 2.56Å; S373-N376 PolarHBondContact OG-ND2 3.23Å; S373-L377 PolarHBondContact O-N 3.15Å | ||
| 374 | H | 71.7 | Confident | 79.8 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -56.2 | -37 | -176 | -177.6 | 61 | 0 | 0 | 0 | 113.2 | R237 E239 N376 L377 E398 | R237-H374 WeakPolarHBondContact CD-CD2 3.44Å; E239-H374 WeakPolarHBondContact OE1-CB 3.14Å; H374-N376 PolarHBondContact O-N 3.13Å; H374-N376 VanDerWaalsContact O-N 3.14Å; H374-L377 WeakPolarHBondContact O-CB 3.08Å; H374-L377 PolarHBondContact O-N 3.23Å; H374-E398 PolarHBondContact NE2-O 3.37Å |
| 375 | R | 72.3 | Confident | 79.8 | Confident | 197 Ų | 197 | 54.9 Ų | 54.9 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -58.6 | -27.9 | 176.9 | -70.1 | -172.3 | -174.7 | -177.8 | 4 | 114.2 | S373 E398 | S373-R375 PolarHBondContact O-N 3.44Å; S373-R375 VanDerWaalsContact O-N 3.16Å; R375-E398 IonicContact NE-OE1 2.9Å |
| 376 | N | 72 | Confident | 79.8 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 64% | 0.642 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -95.8 | -7.4 | 178.7 | -68 | -35.8 | 0 | 0 | 0 | 112.4 | I372 S373 H374 K378 | I372-N376 HydrophobicContact CG2-CB 3.76Å; S373-N376 PolarHBondContact O-N 2.56Å; S373-N376 PolarHBondContact OG-ND2 3.23Å; H374-N376 PolarHBondContact O-N 3.13Å; H374-N376 VanDerWaalsContact O-N 3.14Å; N376-K378 PolarHBondContact O-N 2.98Å |
| 377 | L | 74.8 | Confident | 79.8 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | trans | -84.5 | 94.1 | -176.9 | -172.6 | 65.5 | 0 | 0 | 0 | 110.5 | L337 V367 D369 S373 H374 C379 | L337-L377 HydrophobicContact CD1-CD1 4.02Å; L337-L377 HydrophobicContact CD1-CD2 4.36Å; V367-L377 HydrophobicContact CG1-CD2 4.21Å; V367-L377 WeakPolarHBondContact O-CD2 3.44Å; D369-L377 HydrophobicContact CB-CD1 3.78Å; D369-L377 HydrophobicContact CB-CD2 4.24Å; S373-L377 PolarHBondContact O-N 3.15Å; H374-L377 WeakPolarHBondContact O-CB 3.08Å; H374-L377 PolarHBondContact O-N 3.23Å; L377-C379 VanDerWaalsContact CG-SG 3.58Å | ||
| 378 | K | 78.3 | Confident | 80 | Confident | 166 Ų | 166 | 65.1 Ų | 65.1 | 72% | 0.722 | 36% | 0.362 | S | S | * | . | trans | -87.2 | 113.1 | 169.2 | -69.5 | -172.7 | 178.8 | -176.8 | 0 | 109.9 | N376 C425 | N376-K378 PolarHBondContact O-N 2.98Å; K378-C425 HydrophobicContact CB-CB 3.94Å; K378-C425 WeakPolarHBondContact O-CB 3.19Å; K378-C425 PolarHBondContact O-N 2.72Å | ||
| 379 | C | 80.9 | Confident | 80.6 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 26% | 0.257 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.1 | 179.3 | -71.5 | 0 | 0 | 0 | 0 | 111.5 | V367 L377 A423 | V367-C379 HydrophobicContact CG1-CB 4.15Å; L377-C379 VanDerWaalsContact CG-SG 3.58Å; C379-A423 CarbonylContact C-O 3.52Å; C379-A423 VanDerWaalsContact CA-O 3.26Å; C379-A423 WeakPolarHBondContact CA-O 3.21Å |
| 380 | T | 84.6 | Confident | 81.5 | Confident | 81 Ų | 81 | 66.6 Ų | 66.6 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.5 | 167.7 | 51.6 | 0 | 0 | 0 | 0 | 109.8 | A422 A423 | T380-A422 WeakPolarHBondContact O-CA 3.32Å; T380-A423 PolarHBondContact N-O 2.98Å; T380-A423 PolarHBondContact O-N 3.04Å; T380-A423 PolarHBondContact OG1-O 3.11Å |
| 381 | L | 88.2 | Confident | 82.6 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.8 | 171.6 | -76.8 | 165.4 | 0 | 0 | 0 | 109.9 | L339 V365 V367 V393 N400 K421 A422 | L339-L381 HydrophobicContact CD1-CD2 3.7Å; V365-L381 HydrophobicContact CG1-CD1 4.06Å; V365-L381 HydrophobicContact CG1-CD2 4.14Å; V367-L381 HydrophobicContact CG2-CD1 4.18Å; V367-L381 HydrophobicContact CG2-CD2 3.71Å; V367-L381 HydrophobicContact CG2-CG 4.1Å; L381-V393 HydrophobicContact CB-CG1 4.32Å; L381-V393 HydrophobicContact CD1-CG1 3.86Å; L381-N400 HydrophobicContact CD1-CB 3.69Å; L381-N400 VanDerWaalsContact CD1-CG 3.43Å; L381-K421 CarbonylContact C-O 3.57Å; L381-K421 WeakPolarHBondContact CA-O 3.33Å; L381-A422 HydrophobicContact CD2-CB 3.9Å |
| 382 | S | 88.9 | Confident | 83.7 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 162.9 | 172.3 | 63.1 | 0 | 0 | 0 | 0 | 110.6 | K421 | S382-K421 PolarHBondContact N-O 3.09Å; S382-K421 PolarHBondContact O-N 2.97Å |
| 383 | M | 90.9 | Very high | 84.6 | Confident | 44 Ų | 44 | 63.5 Ų | 63.5 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.4 | -175.9 | -175.1 | 163.6 | 28.6 | 0 | 0 | 110.4 | N386 F391 V393 L402 I418 T419 L420 | M383-N386 HydrophobicContact CE-CB 4.43Å; M383-N386 HydrophobicContact CG-CB 3.89Å; M383-N386 HydrophobicContact SD-CB 4.02Å; M383-F391 HydrophobicContact CE-CB 4.08Å; M383-F391 WeakPolarHBondContact CE-O 3.33Å; M383-F391 HydrophobicContact SD-CB 4.17Å; M383-V393 HydrophobicContact CE-CG2 4.35Å; M383-L402 HydrophobicContact SD-CD1 4.41Å; M383-I418 HydrophobicContact CG-CB 4.26Å; M383-I418 HydrophobicContact SD-CB 4.09Å; M383-I418 HydrophobicContact SD-CD1 3.72Å; M383-I418 HydrophobicContact SD-CG1 4.49Å; M383-I418 HydrophobicContact SD-CG2 4.18Å; M383-T419 WeakPolarHBondContact CA-O 3.1Å; M383-L420 HydrophobicContact CB-CD2 4.01Å; M383-L420 HydrophobicContact CG-CD2 4.13Å; M383-L420 HydrophobicContact SD-CD2 4.07Å |
| 384 | E | 91.3 | Very high | 85.5 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 155.4 | 174.4 | -72.6 | 178.2 | -176.8 | 0 | 0 | 110.4 | N386 I418 T419 K421 | E384-N386 PolarHBondContact O-N 3.32Å; E384-I418 CarbonylContact O-C 3.34Å; E384-I418 WeakPolarHBondContact O-CA 3.19Å; E384-T419 PolarHBondContact N-O 3.4Å; E384-T419 PolarHBondContact O-N 2.95Å; E384-K421 WeakPolarHBondContact OE1-CE 3.17Å; E384-K421 IonicContact OE1-NZ 2.8Å; E384-K421 PolarHBondContact OE1-NZ 2.84Å; E384-K421 WeakPolarHBondContact OE2-CE 3.29Å; E384-K421 IonicContact OE2-NZ 3.75Å; E384-K421 PolarHBondContact OE2-NZ 3.49Å |
| 385 | G | 86.9 | Confident | 86 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 74.2 | 11.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D387 | G385-D387 VanDerWaalsContact C-N 3.3Å; G385-D387 PolarHBondContact O-N 2.6Å |
| 386 | N | 88.8 | Confident | 86 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | trans | -92 | 62.4 | 177.9 | -178.9 | 39.7 | 0 | 0 | 0 | 110.7 | M383 E384 G388 G389 V390 F391 I418 | M383-N386 HydrophobicContact CE-CB 4.43Å; M383-N386 HydrophobicContact CG-CB 3.89Å; M383-N386 HydrophobicContact SD-CB 4.02Å; E384-N386 PolarHBondContact O-N 3.32Å; N386-G388 PolarHBondContact O-N 3.32Å; N386-G389 WeakPolarHBondContact ND2-CA 3.21Å; N386-G389 PolarHBondContact O-N 3.08Å; N386-V390 PolarHBondContact OD1-N 3.21Å; N386-V390 VanDerWaalsContact OD1-N 3.13Å; N386-F391 PolarHBondContact ND2-O 2.9Å; N386-F391 PolarHBondContact OD1-N 2.92Å; N386-I418 HydrophobicContact CB-CG2 4.25Å | ||
| 387 | D | 84.2 | Confident | 86 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 71% | 0.711 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -57.2 | 133.6 | -177.6 | -66.4 | -22.6 | 0 | 0 | 0 | 110.4 | G385 G389 | G385-D387 VanDerWaalsContact C-N 3.3Å; G385-D387 PolarHBondContact O-N 2.6Å; D387-G389 PolarHBondContact O-N 2.62Å |
| 388 | G | 85.7 | Confident | 85.9 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | 74.5 | -5.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | N386 K406 | N386-G388 PolarHBondContact O-N 3.32Å; G388-K406 WeakPolarHBondContact O-CD 3.42Å; G388-K406 VanDerWaalsContact O-CE 3.32Å; G388-K406 WeakPolarHBondContact O-CE 3.46Å; G388-K406 PolarHBondContact O-NZ 3.4Å |
| 389 | G | 92.1 | Very high | 85.9 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | 70.8 | 38 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | N386 D387 | N386-G389 WeakPolarHBondContact ND2-CA 3.21Å; N386-G389 PolarHBondContact O-N 3.08Å; D387-G389 PolarHBondContact O-N 2.62Å |
| 390 | V | 95.4 | Very high | 86.1 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | trans | -68.3 | -38.5 | -175.5 | 175 | 0 | 0 | 0 | 0 | 111.9 | N386 L404 A405 K406 V408 Y416 | N386-V390 PolarHBondContact OD1-N 3.21Å; N386-V390 VanDerWaalsContact OD1-N 3.13Å; V390-L404 HydrophobicContact CG1-CD1 3.99Å; V390-A405 WeakPolarHBondContact O-CA 3.4Å; V390-A405 WeakPolarHBondContact O-CB 3.37Å; V390-A405 PolarHBondContact O-N 2.97Å; V390-K406 PolarHBondContact O-N 2.9Å; V390-V408 HydrophobicContact CG1-CG1 3.45Å; V390-V408 VanDerWaalsContact CG1-CG1 3.45Å; V390-Y416 HydrophobicContact CB-CE1 4.16Å; V390-Y416 HydrophobicContact CG1-CE1 4.3Å; V390-Y416 HydrophobicContact CG2-CE1 3.81Å | ||
| 391 | F | 95.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 156 | 174.7 | -59 | -81.8 | 0 | 0 | 0 | 111.1 | V352 M383 N386 L402 I403 L404 Y416 I418 I438 | V352-F391 HydrophobicContact CG1-CE1 4.47Å; V352-F391 HydrophobicContact CG1-CZ 4.46Å; M383-F391 HydrophobicContact CE-CB 4.08Å; M383-F391 WeakPolarHBondContact CE-O 3.33Å; M383-F391 HydrophobicContact SD-CB 4.17Å; N386-F391 PolarHBondContact ND2-O 2.9Å; N386-F391 PolarHBondContact OD1-N 2.92Å; F391-L402 HydrophobicContact CB-CD1 4Å; F391-I403 WeakPolarHBondContact CA-O 3.17Å; F391-L404 HydrophobicContact CD1-CD1 4.36Å; F391-L404 HydrophobicContact CE1-CD1 4.02Å; F391-Y416 HydrophobicContact CE2-CD1 4.12Å; F391-Y416 AromaticContact CE2-CD2 3.88Å; F391-Y416 HydrophobicContact CE2-CD2 3.88Å; F391-Y416 AromaticContact CE2-CG 3.63Å; F391-Y416 HydrophobicContact CE2-CG 3.63Å; F391-Y416 HydrophobicContact CZ-CD2 4.22Å; F391-Y416 HydrophobicContact CZ-CG 4.39Å; F391-I418 HydrophobicContact CD2-CG2 4.26Å; F391-I438 HydrophobicContact CD1-CD1 3.99Å; F391-I438 HydrophobicContact CD2-CD1 4.24Å; F391-I438 HydrophobicContact CE1-CD1 3.72Å; F391-I438 HydrophobicContact CE1-CG2 4.25Å; F391-I438 HydrophobicContact CE2-CD1 4Å; F391-I438 HydrophobicContact CG-CD1 4.25Å; F391-I438 HydrophobicContact CZ-CB 4.23Å; F391-I438 HydrophobicContact CZ-CD1 3.72Å; F391-I438 HydrophobicContact CZ-CG2 3.88Å |
| 392 | A | 93.4 | Very high | 86.6 | Confident | 31 Ų | 31 | 55.6 Ų | 55.6 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | L402 I403 A405 | A392-L402 WeakPolarHBondContact O-CA 3.49Å; A392-I403 HydrophobicContact CB-CD1 4.21Å; A392-I403 HydrophobicContact CB-CG1 3.84Å; A392-I403 PolarHBondContact N-O 2.82Å; A392-I403 WeakPolarHBondContact O-CG1 3.43Å; A392-I403 PolarHBondContact O-N 2.87Å; A392-A405 HydrophobicContact CB-CB 3.89Å |
| 393 | V | 91.6 | Very high | 86.8 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.7 | 169.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | L381 M383 N400 Y401 L420 | L381-V393 HydrophobicContact CB-CG1 4.32Å; L381-V393 HydrophobicContact CD1-CG1 3.86Å; M383-V393 HydrophobicContact CE-CG2 4.35Å; V393-N400 HydrophobicContact CG1-CB 4.09Å; V393-Y401 CarbonylContact C-O 3.51Å; V393-Y401 VanDerWaalsContact CA-O 3.25Å; V393-Y401 WeakPolarHBondContact CA-O 3.5Å; V393-L420 HydrophobicContact CG2-CD2 3.67Å |
| 394 | K | 88.6 | Confident | 87.1 | Confident | 125 Ų | 125 | 51.5 Ų | 51.5 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122 | 174.7 | -174.1 | 178.5 | 178.9 | -175.6 | 0 | 109.2 | Y401 I403 | K394-Y401 PolarHBondContact N-O 3.44Å; K394-Y401 PolarHBondContact O-N 2.8Å; K394-I403 HydrophobicContact CB-CD1 4.12Å; K394-I403 HydrophobicContact CB-CG2 4.17Å |
| 395 | A | 82.7 | Confident | 87.3 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 60% | 0.595 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 396 | S | 71.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 52 Ų | 52 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 109.5 | 173.7 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | E398 V399 | S396-E398 PolarHBondContact O-N 2.93Å; S396-V399 PolarHBondContact N-O 3.47Å; S396-V399 PolarHBondContact O-N 3.37Å |
| 397 | E | 71.9 | Confident | 88 | Confident | 179 Ų | 179 | 55.2 Ų | 55.2 | 84% | 0.836 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -107.7 | -174.8 | -56.9 | -177.9 | 170.2 | 0 | 0 | 112.8 | ||
| 398 | E | 72 | Confident | 88.6 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.9 | -179.8 | -62.3 | -168.8 | 167.6 | 0 | 0 | 113.3 | H374 R375 S396 | H374-E398 PolarHBondContact NE2-O 3.37Å; R375-E398 IonicContact NE-OE1 2.9Å; S396-E398 PolarHBondContact O-N 2.93Å |
| 399 | V | 77.7 | Confident | 89.1 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.6 | -172.6 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | P236 F325 R364 S396 Y401 | P236-V399 HydrophobicContact CB-CG2 3.82Å; F325-V399 HydrophobicContact CD2-CG1 4.24Å; F325-V399 HydrophobicContact CE2-CG1 3.9Å; R364-V399 HydrophobicContact CG-CG1 4.34Å; S396-V399 PolarHBondContact N-O 3.47Å; S396-V399 PolarHBondContact O-N 3.37Å; V399-Y401 HydrophobicContact CB-CE2 3.98Å; V399-Y401 HydrophobicContact CG1-CD2 4.29Å; V399-Y401 HydrophobicContact CG1-CE1 4.28Å; V399-Y401 HydrophobicContact CG1-CE2 3.73Å |
| 400 | N | 86.5 | Confident | 89.3 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.193 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 139.5 | 172.5 | -58.7 | -80.8 | 0 | 0 | 0 | 109.7 | V365 L381 V393 | V365-N400 HydrophobicContact CB-CB 4.04Å; V365-N400 PolarHBondContact N-O 2.69Å; V365-N400 WeakPolarHBondContact O-CB 3.39Å; V365-N400 VanDerWaalsContact O-O 3.13Å; L381-N400 HydrophobicContact CD1-CB 3.69Å; L381-N400 VanDerWaalsContact CD1-CG 3.43Å; V393-N400 HydrophobicContact CG1-CB 4.09Å |
| 401 | Y | 89.3 | Confident | 89.3 | Confident | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.5 | 178.6 | -64.1 | -89.5 | 0 | 0 | 0 | 110.2 | L361 G363 R364 V393 K394 V399 | L361-Y401 HydrophobicContact CB-CD1 4.42Å; L361-Y401 HydrophobicContact CD1-CD1 3.87Å; L361-Y401 HydrophobicContact CD1-CE1 3.83Å; L361-Y401 HydrophobicContact CD2-CD1 3.92Å; L361-Y401 HydrophobicContact CD2-CG 3.91Å; L361-Y401 HydrophobicContact CG-CD1 4.29Å; G363-Y401 CarbonylContact O-C 3.49Å; G363-Y401 WeakPolarHBondContact O-CA 3.19Å; R364-Y401 HydrophobicContact CG-CD1 3.58Å; R364-Y401 HydrophobicContact CG-CE1 3.47Å; R364-Y401 VanDerWaalsContact CG-CE1 3.47Å; R364-Y401 PolarHBondContact NE-OH 3.02Å; R364-Y401 PolarHBondContact NH2-OH 2.99Å; V393-Y401 CarbonylContact C-O 3.51Å; V393-Y401 VanDerWaalsContact CA-O 3.25Å; V393-Y401 WeakPolarHBondContact CA-O 3.5Å; K394-Y401 PolarHBondContact N-O 3.44Å; K394-Y401 PolarHBondContact O-N 2.8Å; V399-Y401 HydrophobicContact CB-CE2 3.98Å; V399-Y401 HydrophobicContact CG1-CD2 4.29Å; V399-Y401 HydrophobicContact CG1-CE1 4.28Å; V399-Y401 HydrophobicContact CG1-CE2 3.73Å |
| 402 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121.7 | 159.9 | -177.9 | 67.3 | 0 | 0 | 0 | 107.1 | F343 I362 G363 V365 M383 F391 A392 I418 I438 | F343-L402 HydrophobicContact CE1-CD2 4.06Å; I362-L402 HydrophobicContact CB-CD2 4.48Å; I362-L402 HydrophobicContact CB-CG 4.39Å; I362-L402 HydrophobicContact CG2-CD2 4.28Å; I362-L402 PolarHBondContact N-O 3.45Å; G363-L402 PolarHBondContact N-O 2.93Å; G363-L402 PolarHBondContact O-N 3.11Å; V365-L402 HydrophobicContact CG2-CB 4.02Å; M383-L402 HydrophobicContact SD-CD1 4.41Å; F391-L402 HydrophobicContact CB-CD1 4Å; A392-L402 WeakPolarHBondContact O-CA 3.49Å; L402-I418 HydrophobicContact CD1-CD1 4.21Å; L402-I418 HydrophobicContact CD2-CD1 4.29Å; L402-I438 HydrophobicContact CD2-CD1 4.01Å |
| 403 | I | 94.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 58.9 Ų | 58.9 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.4 | -179.1 | 67.6 | 167.3 | 0 | 0 | 0 | 110.8 | T360 L361 F391 A392 K394 | T360-I403 VanDerWaalsContact O-CA 3.31Å; T360-I403 WeakPolarHBondContact O-CA 3.34Å; L361-I403 HydrophobicContact CD2-CG2 3.65Å; F391-I403 WeakPolarHBondContact CA-O 3.17Å; A392-I403 HydrophobicContact CB-CD1 4.21Å; A392-I403 HydrophobicContact CB-CG1 3.84Å; A392-I403 PolarHBondContact N-O 2.82Å; A392-I403 WeakPolarHBondContact O-CG1 3.43Å; A392-I403 PolarHBondContact O-N 2.87Å; K394-I403 HydrophobicContact CB-CD1 4.12Å; K394-I403 HydrophobicContact CB-CG2 4.17Å |
| 404 | L | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 116.5 | 165.9 | -173.3 | 66.4 | 0 | 0 | 0 | 108.7 | T356 P358 G359 T360 I362 V390 F391 K406 V408 | T356-L404 HydrophobicContact CG2-CD2 3.79Å; T356-L404 WeakPolarHBondContact O-CD2 3.3Å; P358-L404 CarbonylContact C-O 3.57Å; G359-L404 PolarHBondContact N-O 3.19Å; T360-L404 PolarHBondContact O-N 3.13Å; I362-L404 HydrophobicContact CD1-CB 4.14Å; I362-L404 HydrophobicContact CG1-CB 4.09Å; V390-L404 HydrophobicContact CG1-CD1 3.99Å; F391-L404 HydrophobicContact CD1-CD1 4.36Å; F391-L404 HydrophobicContact CE1-CD1 4.02Å; L404-K406 VanDerWaalsContact CD1-O 3.23Å; L404-K406 WeakPolarHBondContact CD1-O 3.27Å; L404-K406 VanDerWaalsContact CG-O 3.24Å; L404-K406 WeakPolarHBondContact CG-O 3.31Å; L404-V408 HydrophobicContact CD1-CG1 3.88Å; L404-V408 HydrophobicContact CD1-CG2 4.39Å; L404-V408 HydrophobicContact CD2-CG2 4.25Å |
| 405 | A | 95.7 | Very high | 89.8 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | trans | -95.3 | -23 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V390 A392 | V390-A405 WeakPolarHBondContact O-CA 3.4Å; V390-A405 WeakPolarHBondContact O-CB 3.37Å; V390-A405 PolarHBondContact O-N 2.97Å; A392-A405 HydrophobicContact CB-CB 3.89Å | ||
| 406 | K | 95.5 | Very high | 90.3 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 47% | 0.465 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -139.1 | 154.4 | -179.9 | -67 | -174.2 | 177.9 | -178.3 | 0 | 110.5 | G388 V390 L404 | G388-K406 WeakPolarHBondContact O-CD 3.42Å; G388-K406 VanDerWaalsContact O-CE 3.32Å; G388-K406 WeakPolarHBondContact O-CE 3.46Å; G388-K406 PolarHBondContact O-NZ 3.4Å; V390-K406 PolarHBondContact O-N 2.9Å; L404-K406 VanDerWaalsContact CD1-O 3.23Å; L404-K406 WeakPolarHBondContact CD1-O 3.27Å; L404-K406 VanDerWaalsContact CG-O 3.24Å; L404-K406 WeakPolarHBondContact CG-O 3.31Å |
| 407 | P | 95.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 58.8 Ų | 58.8 | 65% | 0.649 | 30% | 0.298 | S | S | * | . | trans | -59.5 | 147.2 | 174.3 | 26.4 | -34.6 | 0 | 0 | 0 | 110.4 | P358 | P358-P407 HydrophobicContact CG-CB 4.48Š| ||
| 408 | V | 95.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | trans | -114.2 | 160.8 | 174.9 | -76.6 | 0 | 0 | 0 | 0 | 108.7 | V390 L404 Y416 I440 | V390-V408 HydrophobicContact CG1-CG1 3.45Å; V390-V408 VanDerWaalsContact CG1-CG1 3.45Å; L404-V408 HydrophobicContact CD1-CG1 3.88Å; L404-V408 HydrophobicContact CD1-CG2 4.39Å; L404-V408 HydrophobicContact CD2-CG2 4.25Å; V408-Y416 HydrophobicContact CG1-CE2 4.06Å; V408-I440 HydrophobicContact CB-CD1 4.16Å; V408-I440 HydrophobicContact CG1-CD1 4.06Å; V408-I440 HydrophobicContact CG2-CD1 4.33Å; V408-I440 HydrophobicContact CG2-CG2 4.43Å | ||
| 409 | D | 96.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 23% | 0.225 | 25% | 0.25 | C | S | . | . | trans | -151.9 | 118.9 | -178.4 | 165.5 | -35.5 | 0 | 0 | 0 | 104.6 | E411 K412 V413 | D409-E411 PolarHBondContact OD1-N 2.87Å; D409-E411 VanDerWaalsContact OD1-N 3.09Å; D409-K412 HydrophobicContact CB-CB 4.26Å; D409-K412 HydrophobicContact CB-CD 4.17Å; D409-K412 HydrophobicContact CB-CG 4.32Å; D409-K412 PolarHBondContact O-N 2.64Å; D409-K412 WeakPolarHBondContact OD1-CG 3.3Å; D409-K412 PolarHBondContact OD1-N 2.78Å; D409-K412 WeakPolarHBondContact OD2-CD 3.21Å; D409-K412 VanDerWaalsContact OD2-CE 3.3Å; D409-K412 WeakPolarHBondContact OD2-CE 3.31Å; D409-K412 WeakPolarHBondContact OD2-CG 3.33Å; D409-K412 IonicContact OD2-NZ 3.71Å; D409-K412 PolarHBondContact OD2-NZ 2.82Å; D409-V413 PolarHBondContact O-N 2.9Å | ||
| 410 | R | 96.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -39.7 | -171.4 | -171 | -155.5 | 64.5 | 76.8 | -4.9 | 110.4 | E354 K412 V413 E414 I440 D442 P477 | E354-R410 HydrophobicContact CB-CB 4.49Å; E354-R410 WeakPolarHBondContact OE2-CB 3.41Å; E354-R410 PolarHBondContact OE2-N 2.91Å; R410-K412 PolarHBondContact O-N 3.04Å; R410-V413 CarbonylContact O-C 3.59Å; R410-V413 PolarHBondContact O-N 2.83Å; R410-E414 HydrophobicContact CG-CG 4.35Å; R410-E414 IonicContact NH1-OE1 3.42Å; R410-E414 PolarHBondContact NH1-OE1 2.83Å; R410-E414 WeakPolarHBondContact O-CG 3.31Å; R410-E414 PolarHBondContact O-N 2.93Å; R410-I440 HydrophobicContact CB-CB 4.31Å; R410-I440 HydrophobicContact CB-CG2 3.86Å; R410-I440 HydrophobicContact CG-CB 4.21Å; R410-I440 HydrophobicContact CG-CG2 4.24Å; R410-D442 IonicContact CZ-OD1 3.28Å; R410-D442 IonicContact NE-OD1 3.33Å; R410-D442 PolarHBondContact NE-OD1 3.45Å; R410-D442 IonicContact NH2-OD1 2.72Å; R410-D442 PolarHBondContact NH2-OD1 2.79Å; R410-P477 PolarHBondContact NH2-O 2.84Å |
| 411 | E | 96.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 49.4 Ų | 49.4 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.5 | 179.3 | -68.1 | 60.9 | -121.9 | 0 | 0 | 111.1 | D409 P477 | D409-E411 PolarHBondContact OD1-N 2.87Å; D409-E411 VanDerWaalsContact OD1-N 3.09Å; E411-P477 HydrophobicContact CG-CB 3.72Å; E411-P477 HydrophobicContact CG-CG 4.02Å |
| 412 | K | 94.9 | Very high | 94.3 | Very high | 164 Ų | 164 | 47.9 Ų | 47.9 | 71% | 0.713 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -51.5 | 170.6 | -71.8 | -178.6 | -175.4 | 114.7 | 0 | 113.2 | D409 R410 | D409-K412 HydrophobicContact CB-CB 4.26Å; D409-K412 HydrophobicContact CB-CD 4.17Å; D409-K412 HydrophobicContact CB-CG 4.32Å; D409-K412 PolarHBondContact O-N 2.64Å; D409-K412 WeakPolarHBondContact OD1-CG 3.3Å; D409-K412 PolarHBondContact OD1-N 2.78Å; D409-K412 WeakPolarHBondContact OD2-CD 3.21Å; D409-K412 VanDerWaalsContact OD2-CE 3.3Å; D409-K412 WeakPolarHBondContact OD2-CE 3.31Å; D409-K412 WeakPolarHBondContact OD2-CG 3.33Å; D409-K412 IonicContact OD2-NZ 3.71Å; D409-K412 PolarHBondContact OD2-NZ 2.82Å; R410-K412 PolarHBondContact O-N 3.04Å |
| 413 | V | 94.5 | Very high | 93.9 | Very high | 57 Ų | 57 | 49.3 Ų | 49.3 | 35% | 0.345 | 26% | 0.26 | S | S | . | . | trans | -144.3 | 104.8 | -176.1 | -175.3 | 0 | 0 | 0 | 0 | 111 | D409 R410 T415 Y416 I440 | D409-V413 PolarHBondContact O-N 2.9Å; R410-V413 CarbonylContact O-C 3.59Å; R410-V413 PolarHBondContact O-N 2.83Å; V413-T415 VanDerWaalsContact C-N 3.35Å; V413-T415 PolarHBondContact O-N 3.4Å; V413-Y416 HydrophobicContact CB-CE2 4.12Å; V413-Y416 HydrophobicContact CG1-CD1 4.43Å; V413-Y416 HydrophobicContact CG1-CD2 4.24Å; V413-Y416 HydrophobicContact CG1-CE1 3.98Å; V413-Y416 HydrophobicContact CG1-CE2 3.77Å; V413-I440 WeakPolarHBondContact O-CG1 3.18Å | ||
| 414 | E | 94.1 | Very high | 93 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 53% | 0.528 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.5 | -22.9 | -177.7 | -57.1 | -177.8 | 170.4 | 0 | 0 | 114.1 | R410 I440 | R410-E414 HydrophobicContact CG-CG 4.35Å; R410-E414 IonicContact NH1-OE1 3.42Å; R410-E414 PolarHBondContact NH1-OE1 2.83Å; R410-E414 WeakPolarHBondContact O-CG 3.31Å; R410-E414 PolarHBondContact O-N 2.93Å; E414-I440 PolarHBondContact O-N 2.79Å |
| 415 | T | 94.9 | Very high | 91.4 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 136 | -170.5 | -61 | 0 | 0 | 0 | 0 | 113.5 | V413 Q437 I438 | V413-T415 VanDerWaalsContact C-N 3.35Å; V413-T415 PolarHBondContact O-N 3.4Å; T415-Q437 HydrophobicContact CG2-CG 3.24Å; T415-I438 CarbonylContact C-O 3.47Å; T415-I438 WeakPolarHBondContact CA-O 3.18Å |
| 416 | Y | 94.5 | Very high | 89.5 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.8 | 177 | -68.2 | -92 | 0 | 0 | 0 | 111.8 | V390 F391 V408 V413 Q437 I438 I440 | V390-Y416 HydrophobicContact CB-CE1 4.16Å; V390-Y416 HydrophobicContact CG1-CE1 4.3Å; V390-Y416 HydrophobicContact CG2-CE1 3.81Å; F391-Y416 HydrophobicContact CE2-CD1 4.12Å; F391-Y416 AromaticContact CE2-CD2 3.88Å; F391-Y416 HydrophobicContact CE2-CD2 3.88Å; F391-Y416 AromaticContact CE2-CG 3.63Å; F391-Y416 HydrophobicContact CE2-CG 3.63Å; F391-Y416 HydrophobicContact CZ-CD2 4.22Å; F391-Y416 HydrophobicContact CZ-CG 4.39Å; V408-Y416 HydrophobicContact CG1-CE2 4.06Å; V413-Y416 HydrophobicContact CB-CE2 4.12Å; V413-Y416 HydrophobicContact CG1-CD1 4.43Å; V413-Y416 HydrophobicContact CG1-CD2 4.24Å; V413-Y416 HydrophobicContact CG1-CE1 3.98Å; V413-Y416 HydrophobicContact CG1-CE2 3.77Å; Y416-Q437 CarbonylContact O-C 3.47Å; Y416-Q437 WeakPolarHBondContact O-CA 3.34Å; Y416-I438 PolarHBondContact N-O 3.12Å; Y416-I438 PolarHBondContact O-N 3.01Å; Y416-I440 HydrophobicContact CD2-CD1 3.82Å; Y416-I440 HydrophobicContact CD2-CG1 4.07Å; Y416-I440 HydrophobicContact CE2-CD1 3.8Å; Y416-I440 HydrophobicContact CE2-CG1 3.88Å |
| 417 | N | 94.3 | Very high | 87.5 | Confident | 101 Ų | 101 | 56.5 Ų | 56.5 | 54% | 0.54 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 95.2 | 177.8 | -72 | -41 | 0 | 0 | 0 | 110.5 | Q437 | N417-Q437 WeakPolarHBondContact OD1-CB 3.32Å; N417-Q437 VanDerWaalsContact OD1-CG 3.26Å; N417-Q437 WeakPolarHBondContact OD1-CG 3.44Å |
| 418 | I | 94 | Very high | 85.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 148.2 | -179.9 | 66.6 | 168.8 | 0 | 0 | 0 | 111.6 | M383 E384 N386 F391 L402 L420 V436 I438 | M383-I418 HydrophobicContact CG-CB 4.26Å; M383-I418 HydrophobicContact SD-CB 4.09Å; M383-I418 HydrophobicContact SD-CD1 3.72Å; M383-I418 HydrophobicContact SD-CG1 4.49Å; M383-I418 HydrophobicContact SD-CG2 4.18Å; E384-I418 CarbonylContact O-C 3.34Å; E384-I418 WeakPolarHBondContact O-CA 3.19Å; N386-I418 HydrophobicContact CB-CG2 4.25Å; F391-I418 HydrophobicContact CD2-CG2 4.26Å; L402-I418 HydrophobicContact CD1-CD1 4.21Å; L402-I418 HydrophobicContact CD2-CD1 4.29Å; I418-L420 HydrophobicContact CD1-CD1 4.44Å; I418-V436 HydrophobicContact CG1-CB 3.95Å; I418-V436 HydrophobicContact CG1-CG1 4.49Å; I418-V436 PolarHBondContact N-O 2.74Å; I418-V436 PolarHBondContact O-N 3.24Å; I418-V436 VanDerWaalsContact O-O 3.13Å; I418-I438 HydrophobicContact CD1-CD1 3.65Å; I418-I438 HydrophobicContact CD1-CG1 4.47Å; I418-I438 HydrophobicContact CG1-CD1 4.19Å |
| 419 | T | 93.9 | Very high | 84 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111 | 170 | -57.1 | 0 | 0 | 0 | 0 | 109 | M383 E384 K421 R434 K435 | M383-T419 WeakPolarHBondContact CA-O 3.1Å; E384-T419 PolarHBondContact N-O 3.4Å; E384-T419 PolarHBondContact O-N 2.95Å; T419-K421 HydrophobicContact CG2-CG 4.37Å; T419-R434 CarbonylContact C-O 3.56Å; T419-R434 WeakPolarHBondContact CA-O 3.43Å; T419-K435 HydrophobicContact CG2-CG 4.14Å |
| 420 | L | 92.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.6 | 172.1 | -74.6 | 161.7 | 0 | 0 | 0 | 109.6 | L339 I341 V365 M383 V393 I418 S433 R434 | L339-L420 HydrophobicContact CD2-CB 3.78Å; L339-L420 VanDerWaalsContact CD2-O 3.31Å; L339-L420 WeakPolarHBondContact CD2-O 3.29Å; I341-L420 HydrophobicContact CD1-CD1 3.27Å; I341-L420 HydrophobicContact CD1-CG 4.46Å; I341-L420 HydrophobicContact CG1-CD1 3.92Å; V365-L420 HydrophobicContact CG2-CD1 4.31Å; M383-L420 HydrophobicContact CB-CD2 4.01Å; M383-L420 HydrophobicContact CG-CD2 4.13Å; M383-L420 HydrophobicContact SD-CD2 4.07Å; V393-L420 HydrophobicContact CG2-CD2 3.67Å; I418-L420 HydrophobicContact CD1-CD1 4.44Å; L420-S433 CarbonylContact O-C 3.59Å; L420-S433 WeakPolarHBondContact O-CA 3.47Å; L420-R434 PolarHBondContact N-O 3.35Å; L420-R434 PolarHBondContact O-N 3.44Å |
| 421 | K | 90.2 | Very high | 82.1 | Confident | 68 Ų | 68 | 69 Ų | 69 | 30% | 0.296 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.7 | 178.5 | -63.9 | -175.1 | 179 | 179.6 | 0 | 109.7 | L381 S382 E384 T419 A432 | L381-K421 CarbonylContact C-O 3.57Å; L381-K421 WeakPolarHBondContact CA-O 3.33Å; S382-K421 PolarHBondContact N-O 3.09Å; S382-K421 PolarHBondContact O-N 2.97Å; E384-K421 WeakPolarHBondContact OE1-CE 3.17Å; E384-K421 IonicContact OE1-NZ 2.8Å; E384-K421 PolarHBondContact OE1-NZ 2.84Å; E384-K421 WeakPolarHBondContact OE2-CE 3.29Å; E384-K421 IonicContact OE2-NZ 3.75Å; E384-K421 PolarHBondContact OE2-NZ 3.49Å; T419-K421 HydrophobicContact CG2-CG 4.37Å; K421-A432 CarbonylContact C-O 3.58Å; K421-A432 VanDerWaalsContact CA-O 3.31Å; K421-A432 WeakPolarHBondContact CA-O 3.49Å |
| 422 | A | 88.2 | Confident | 81.7 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 136.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L337 L339 V367 T380 L381 M431 A432 | L337-A422 HydrophobicContact CD2-CB 3.8Å; L339-A422 HydrophobicContact CD1-CB 4.12Å; V367-A422 HydrophobicContact CG1-CB 3.89Å; V367-A422 HydrophobicContact CG2-CB 3.92Å; T380-A422 WeakPolarHBondContact O-CA 3.32Å; L381-A422 HydrophobicContact CD2-CB 3.9Å; A422-M431 CarbonylContact O-C 3.6Å; A422-M431 VanDerWaalsContact O-CA 3.27Å; A422-M431 WeakPolarHBondContact O-CA 3.29Å; A422-A432 PolarHBondContact N-O 3.42Å; A422-A432 PolarHBondContact O-N 2.77Å |
| 423 | A | 84.2 | Confident | 81.4 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C379 T380 M431 | C379-A423 CarbonylContact C-O 3.52Å; C379-A423 VanDerWaalsContact CA-O 3.26Å; C379-A423 WeakPolarHBondContact CA-O 3.21Å; T380-A423 PolarHBondContact N-O 2.98Å; T380-A423 PolarHBondContact O-N 3.04Å; T380-A423 PolarHBondContact OG1-O 3.11Å; A423-M431 HydrophobicContact CB-CG 4.28Å |
| 424 | A | 75.1 | Confident | 81.2 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G426 K430 | A424-G426 PolarHBondContact O-N 3.28Å; A424-K430 HydrophobicContact CB-CB 4.29Å; A424-K430 PolarHBondContact N-O 3.47Å |
| 425 | C | 62.9 | Low | 81.1 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 121.8 | 178.6 | -79.3 | 0 | 0 | 0 | 0 | 110.6 | K378 | K378-C425 HydrophobicContact CB-CB 3.94Å; K378-C425 WeakPolarHBondContact O-CB 3.19Å; K378-C425 PolarHBondContact O-N 2.72Å |
| 426 | G | 56.2 | Low | 81 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 84% | 0.835 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.6 | -5.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A424 | A424-G426 PolarHBondContact O-N 3.28Š|
| 427 | Q | 53.3 | Low | 80.9 | Confident | 143 Ų | 143 | 69.3 Ų | 69.3 | 67% | 0.668 | 40% | 0.404 | S | S | * | . | trans | -137.6 | 113.4 | 165.8 | -80.3 | -180 | 2.6 | 0 | 0 | 110.2 | A429 | Q427-A429 PolarHBondContact O-N 3.19Š| ||
| 428 | S | 54.4 | Low | 80.9 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 90% | 0.902 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 6.9 | -178.6 | -26.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 429 | A | 62 | Low | 81 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 74% | 0.744 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -21.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q427 | Q427-A429 PolarHBondContact O-N 3.19Š|
| 430 | K | 72.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 29% | 0.291 | 39% | 0.394 | S | S | . | . | trans | -107 | 96.6 | -179.1 | -71.8 | -174.5 | 173.7 | -171.8 | 0 | 110.5 | L337 D369 S371 A424 | L337-K430 HydrophobicContact CB-CB 4.46Å; D369-K430 IonicContact OD1-NZ 2.79Å; D369-K430 IonicContact OD2-NZ 3.49Å; D369-K430 PolarHBondContact OD2-NZ 2.86Å; S371-K430 PolarHBondContact OG-NZ 2.85Å; A424-K430 HydrophobicContact CB-CB 4.29Å; A424-K430 PolarHBondContact N-O 3.47Å | ||
| 431 | M | 82.1 | Confident | 81.3 | Confident | 143 Ų | 143 | 72 Ų | 72 | 70% | 0.704 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.5 | 172.4 | -60.8 | -167.1 | -55.7 | 0 | 0 | 110.7 | A422 A423 | A422-M431 CarbonylContact O-C 3.6Å; A422-M431 VanDerWaalsContact O-CA 3.27Å; A422-M431 WeakPolarHBondContact O-CA 3.29Å; A423-M431 HydrophobicContact CB-CG 4.28Å |
| 432 | A | 86.6 | Confident | 81.5 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 10% | 0.099 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | L337 L339 K421 A422 | L337-A432 HydrophobicContact CB-CB 4.2Å; L337-A432 HydrophobicContact CD2-CB 4.19Å; L337-A432 HydrophobicContact CG-CB 4.27Å; L337-A432 WeakPolarHBondContact O-CB 3.27Å; L339-A432 HydrophobicContact CB-CB 3.86Å; K421-A432 CarbonylContact C-O 3.58Å; K421-A432 VanDerWaalsContact CA-O 3.31Å; K421-A432 WeakPolarHBondContact CA-O 3.49Å; A422-A432 PolarHBondContact N-O 3.42Å; A422-A432 PolarHBondContact O-N 2.77Å |
| 433 | S | 89.6 | Confident | 81.9 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 61% | 0.608 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.8 | 172.1 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | L420 | L420-S433 CarbonylContact O-C 3.59Å; L420-S433 WeakPolarHBondContact O-CA 3.47Å |
| 434 | R | 89.8 | Confident | 82.4 | Confident | 68 Ų | 68 | 71.9 Ų | 71.9 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 121.6 | 177.7 | -171.3 | 163.4 | -174.5 | -133.1 | -1.7 | 109.8 | L339 I341 T419 L420 V436 | L339-R434 HydrophobicContact CD2-CB 3.84Å; L339-R434 HydrophobicContact CG-CB 4.22Å; L339-R434 WeakPolarHBondContact O-CD 3.31Å; I341-R434 HydrophobicContact CD1-CG 4.24Å; I341-R434 PolarHBondContact O-NH1 3.36Å; T419-R434 CarbonylContact C-O 3.56Å; T419-R434 WeakPolarHBondContact CA-O 3.43Å; L420-R434 PolarHBondContact N-O 3.35Å; L420-R434 PolarHBondContact O-N 3.44Å; R434-V436 HydrophobicContact CG-CG2 4.45Å |
| 435 | K | 92.2 | Very high | 83.4 | Confident | 176 Ų | 176 | 75 Ų | 75 | 77% | 0.765 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 137.6 | 173.4 | -63.3 | -171.6 | 175.7 | -176.2 | 0 | 109.6 | T419 | T419-K435 HydrophobicContact CG2-CG 4.14Å |
| 436 | V | 92 | Very high | 84.9 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 7% | 0.073 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.5 | 178.2 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | I341 F343 P350 I418 R434 I438 | I341-V436 HydrophobicContact CD1-CG2 3.44Å; I341-V436 VanDerWaalsContact CD1-CG2 3.44Å; F343-V436 HydrophobicContact CE1-CG1 4.28Å; F343-V436 HydrophobicContact CE2-CG1 4.17Å; F343-V436 HydrophobicContact CZ-CG1 3.44Å; F343-V436 VanDerWaalsContact CZ-CG1 3.44Å; F343-V436 HydrophobicContact CZ-CG2 4.34Å; P350-V436 HydrophobicContact CB-CG1 3.93Å; I418-V436 HydrophobicContact CG1-CB 3.95Å; I418-V436 HydrophobicContact CG1-CG1 4.49Å; I418-V436 PolarHBondContact N-O 2.74Å; I418-V436 PolarHBondContact O-N 3.24Å; I418-V436 VanDerWaalsContact O-O 3.13Å; R434-V436 HydrophobicContact CG-CG2 4.45Å; V436-I438 HydrophobicContact CG1-CD1 4.44Å; V436-I438 HydrophobicContact CG1-CG1 3.64Å |
| 437 | Q | 93.7 | Very high | 86.8 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.561 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.8 | 167.8 | -178.6 | 172.9 | 42 | 0 | 0 | 107.8 | P350 T415 Y416 N417 | P350-Q437 VanDerWaalsContact CB-O 3.32Å; P350-Q437 WeakPolarHBondContact CB-O 3.26Å; P350-Q437 VanDerWaalsContact CG-O 3.29Å; P350-Q437 WeakPolarHBondContact CG-O 3.31Å; T415-Q437 HydrophobicContact CG2-CG 3.24Å; Y416-Q437 CarbonylContact O-C 3.47Å; Y416-Q437 WeakPolarHBondContact O-CA 3.34Å; N417-Q437 WeakPolarHBondContact OD1-CB 3.32Å; N417-Q437 VanDerWaalsContact OD1-CG 3.26Å; N417-Q437 WeakPolarHBondContact OD1-CG 3.44Å |
| 438 | I | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.9 | 178.5 | -56.2 | 176.5 | 0 | 0 | 0 | 108.2 | F343 P350 V352 F391 L402 T415 Y416 I418 V436 | F343-I438 HydrophobicContact CE1-CG1 4.47Å; P350-I438 CarbonylContact O-C 3.59Å; P350-I438 VanDerWaalsContact O-CA 3.29Å; P350-I438 WeakPolarHBondContact O-CA 3.27Å; V352-I438 HydrophobicContact CG1-CG2 3.9Å; F391-I438 HydrophobicContact CD1-CD1 3.99Å; F391-I438 HydrophobicContact CD2-CD1 4.24Å; F391-I438 HydrophobicContact CE1-CD1 3.72Å; F391-I438 HydrophobicContact CE1-CG2 4.25Å; F391-I438 HydrophobicContact CE2-CD1 4Å; F391-I438 HydrophobicContact CG-CD1 4.25Å; F391-I438 HydrophobicContact CZ-CB 4.23Å; F391-I438 HydrophobicContact CZ-CD1 3.72Å; F391-I438 HydrophobicContact CZ-CG2 3.88Å; L402-I438 HydrophobicContact CD2-CD1 4.01Å; T415-I438 CarbonylContact C-O 3.47Å; T415-I438 WeakPolarHBondContact CA-O 3.18Å; Y416-I438 PolarHBondContact N-O 3.12Å; Y416-I438 PolarHBondContact O-N 3.01Å; I418-I438 HydrophobicContact CD1-CD1 3.65Å; I418-I438 HydrophobicContact CD1-CG1 4.47Å; I418-I438 HydrophobicContact CG1-CD1 4.19Å; V436-I438 HydrophobicContact CG1-CD1 4.44Å; V436-I438 HydrophobicContact CG1-CG1 3.64Å |
| 439 | R | 95.7 | Very high | 91 | Very high | 131 Ų | 131 | 67.3 Ų | 67.3 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.1 | 176 | -176.5 | 175.5 | 175 | 179.7 | -2.9 | 110.3 | P350 S351 V352 | P350-R439 PolarHBondContact O-N 3.34Å; S351-R439 CarbonylContact C-O 3.6Å; S351-R439 WeakPolarHBondContact CA-O 3.36Å; V352-R439 PolarHBondContact N-O 2.86Å |
| 440 | I | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.2 | 170 | -48.6 | -54.1 | 0 | 0 | 0 | 108 | V352 E354 V408 R410 V413 E414 Y416 | V352-I440 HydrophobicContact CG1-CD1 3.3Å; V352-I440 CarbonylContact O-C 3.38Å; V352-I440 VanDerWaalsContact O-CA 3.29Å; V352-I440 WeakPolarHBondContact O-CA 3.44Å; E354-I440 HydrophobicContact CB-CG2 3.7Å; V408-I440 HydrophobicContact CB-CD1 4.16Å; V408-I440 HydrophobicContact CG1-CD1 4.06Å; V408-I440 HydrophobicContact CG2-CD1 4.33Å; V408-I440 HydrophobicContact CG2-CG2 4.43Å; R410-I440 HydrophobicContact CB-CB 4.31Å; R410-I440 HydrophobicContact CB-CG2 3.86Å; R410-I440 HydrophobicContact CG-CB 4.21Å; R410-I440 HydrophobicContact CG-CG2 4.24Å; V413-I440 WeakPolarHBondContact O-CG1 3.18Å; E414-I440 PolarHBondContact O-N 2.79Å; Y416-I440 HydrophobicContact CD2-CD1 3.82Å; Y416-I440 HydrophobicContact CD2-CG1 4.07Å; Y416-I440 HydrophobicContact CE2-CD1 3.8Å; Y416-I440 HydrophobicContact CE2-CG1 3.88Å |
| 441 | T | 95.5 | Very high | 93.8 | Very high | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 142 | 175.8 | 56 | 0 | 0 | 0 | 0 | 110.2 | V352 S353 E354 | V352-T441 PolarHBondContact O-N 3.33Å; V352-T441 PolarHBondContact O-OG1 2.88Å; S353-T441 WeakPolarHBondContact CA-OG1 3.35Å; S353-T441 PolarHBondContact N-OG1 3.38Å; E354-T441 PolarHBondContact N-O 3.28Å; E354-T441 VanDerWaalsContact N-O 3.13Å |
| 442 | D | 95.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 65.2 Ų | 65.2 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 142.4 | -172.5 | -171.2 | 87.5 | 0 | 0 | 0 | 113.1 | E354 R410 Q479 N482 | E354-D442 VanDerWaalsContact OE1-CA 3.27Å; E354-D442 WeakPolarHBondContact OE1-CA 3.47Å; R410-D442 IonicContact CZ-OD1 3.28Å; R410-D442 IonicContact NE-OD1 3.33Å; R410-D442 PolarHBondContact NE-OD1 3.45Å; R410-D442 IonicContact NH2-OD1 2.72Å; R410-D442 PolarHBondContact NH2-OD1 2.79Å; D442-Q479 HydrophobicContact CB-CB 3.79Å; D442-Q479 VanDerWaalsContact CG-N 3.29Å; D442-Q479 WeakPolarHBondContact OD1-CB 3.38Å; D442-Q479 PolarHBondContact OD1-N 2.68Å; D442-Q479 PolarHBondContact OD2-N 2.61Å; D442-N482 WeakPolarHBondContact OD2-CB 3.48Å; D442-N482 PolarHBondContact OD2-ND2 3.1Å |
| 443 | V | 95.2 | Very high | 94.9 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | trans | -128.1 | 140.2 | 170.8 | 175.1 | 0 | 0 | 0 | 0 | 107.4 | S353 E354 D355 D445 | S353-V443 WeakPolarHBondContact OG-CG2 3.48Å; E354-V443 HydrophobicContact CG-CB 3.81Å; E354-V443 HydrophobicContact CG-CG2 3.89Å; E354-V443 PolarHBondContact OE1-N 3.42Å; D355-V443 HydrophobicContact CB-CG1 4.34Å; D355-V443 HydrophobicContact CB-CG2 4.01Å; V443-D445 VanDerWaalsContact C-N 3.28Å; V443-D445 PolarHBondContact O-N 2.85Å | ||
| 444 | N | 95.8 | Very high | 95.2 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -72.2 | 81.1 | 178.9 | -160.4 | 44.6 | 0 | 0 | 0 | 110.7 | D478 N482 D531 E536 | N444-D478 WeakPolarHBondContact CA-OD2 3.43Å; N444-D478 PolarHBondContact OD1-OD2 2.82Å; N444-N482 HydrophobicContact CB-CB 4.05Å; N444-N482 PolarHBondContact N-ND2 3.32Å; N444-N482 WeakPolarHBondContact OD1-CA 3.15Å; N444-N482 VanDerWaalsContact OD1-CB 3.27Å; N444-N482 WeakPolarHBondContact OD1-CB 3.35Å; N444-N482 PolarHBondContact OD1-O 3.25Å; N444-D531 PolarHBondContact ND2-OD1 2.81Å; N444-D531 PolarHBondContact ND2-OD2 2.89Å; N444-D531 PolarHBondContact OD1-OD2 2.88Å; N444-E536 PolarHBondContact ND2-O 2.91Å |
| 445 | D | 94.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 67 Ų | 67 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | trans | -116.8 | -5.4 | -176.4 | 84.6 | -19.2 | 0 | 0 | 0 | 113.6 | V443 D478 | V443-D445 VanDerWaalsContact C-N 3.28Å; V443-D445 PolarHBondContact O-N 2.85Å; D445-D478 PolarHBondContact N-OD2 3.43Å | ||
| 446 | N | 95.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | trans | -111.4 | 131.8 | 171.9 | -62.5 | -81.4 | 0 | 0 | 0 | 111 | P477 D478 L538 | N446-P477 HydrophobicContact CB-CG 3.49Å; N446-P477 VanDerWaalsContact CB-CG 3.49Å; N446-D478 VanDerWaalsContact CB-OD1 3.31Å; N446-D478 WeakPolarHBondContact CB-OD1 3.24Å; N446-D478 PolarHBondContact N-OD2 3.45Å; N446-D478 VanDerWaalsContact N-OD2 3.09Å; N446-D478 PolarHBondContact ND2-OD1 3.4Å; N446-L538 WeakPolarHBondContact O-CD1 3.41Å | ||
| 447 | A | 96.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | trans | -83.2 | 150.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R449 L538 | A447-R449 PolarHBondContact O-N 2.89Å; A447-L538 HydrophobicContact CB-CB 3.79Å; A447-L538 HydrophobicContact CB-CD1 4.47Å | ||
| 448 | P | 97.7 | Very high | 96 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -55.2 | 138.2 | 173 | -24.8 | 31.2 | 0 | 0 | 0 | 110.8 | A474 D476 V485 A529 D531 L538 A540 | P448-A474 HydrophobicContact CB-CB 4.38Å; P448-D476 WeakPolarHBondContact CA-OD2 3.42Å; P448-D476 HydrophobicContact CB-CB 4.48Å; P448-D476 WeakPolarHBondContact CD-OD2 3.09Å; P448-D476 HydrophobicContact CG-CB 4.46Å; P448-D476 VanDerWaalsContact CG-OD2 3.24Å; P448-D476 WeakPolarHBondContact CG-OD2 3.11Å; P448-V485 HydrophobicContact CB-CG1 4.5Å; P448-V485 HydrophobicContact CB-CG2 4.08Å; P448-V485 HydrophobicContact CG-CG2 4.32Å; P448-A529 HydrophobicContact CB-CB 3.92Å; P448-D531 HydrophobicContact CG-CB 4.09Å; P448-L538 WeakPolarHBondContact CD-O 3.1Å; P448-A540 WeakPolarHBondContact O-CB 3.09Å | ||
| 449 | R | 97.2 | Very high | 96.1 | Very high | 169 Ų | 169 | 64.8 Ų | 64.8 | 64% | 0.638 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.9 | 176 | 72.9 | -172.7 | 175.8 | -161.6 | -6.4 | 111.7 | A447 A474 F475 | A447-R449 PolarHBondContact O-N 2.89Å; R449-A474 CarbonylContact O-C 3.48Å; R449-A474 WeakPolarHBondContact O-CA 3.47Å; R449-A474 WeakPolarHBondContact O-CB 3.24Å; R449-F475 HydrophobicContact CG-CB 4.39Å; R449-F475 WeakPolarHBondContact CG-O 3.4Å; R449-F475 PolarHBondContact N-O 2.81Å; R449-F475 PolarHBondContact O-N 2.76Å |
| 450 | F | 97.5 | Very high | 96 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 12% | 0.118 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 147.6 | 169.8 | -77.2 | -76.6 | 0 | 0 | 0 | 111.6 | K452 Y455 V472 A474 Y487 I527 A529 A540 A542 | F450-K452 WeakPolarHBondContact CB-O 3.06Å; F450-K452 PolarHBondContact O-N 3.4Å; F450-Y455 HydrophobicContact CB-CE2 4.43Å; F450-Y455 HydrophobicContact CD1-CE2 4.12Å; F450-V472 HydrophobicContact CE1-CB 4.22Å; F450-V472 HydrophobicContact CE1-CG2 4.17Å; F450-A474 HydrophobicContact CD1-CB 3.93Å; F450-A474 HydrophobicContact CE1-CB 4.17Å; F450-A474 HydrophobicContact CG-CB 4.2Å; F450-Y487 HydrophobicContact CE1-CD1 4.1Å; F450-Y487 HydrophobicContact CE1-CE1 4.02Å; F450-Y487 HydrophobicContact CZ-CD1 4.41Å; F450-I527 HydrophobicContact CD1-CD1 4.27Å; F450-I527 HydrophobicContact CE1-CD1 3.78Å; F450-I527 HydrophobicContact CE1-CG1 4.27Å; F450-I527 HydrophobicContact CE2-CG1 4.45Å; F450-I527 HydrophobicContact CZ-CB 4.36Å; F450-I527 HydrophobicContact CZ-CD1 4Å; F450-I527 HydrophobicContact CZ-CG1 3.98Å; F450-A529 HydrophobicContact CD2-CB 4.33Å; F450-A529 HydrophobicContact CE1-CB 4.11Å; F450-A529 HydrophobicContact CE2-CB 3.6Å; F450-A529 HydrophobicContact CZ-CB 3.48Å; F450-A529 VanDerWaalsContact CZ-CB 3.48Å; F450-A540 WeakPolarHBondContact CE2-O 3.41Å; F450-A542 HydrophobicContact CB-CB 4.08Å; F450-A542 HydrophobicContact CD1-CB 4.31Å; F450-A542 HydrophobicContact CD2-CB 3.56Å; F450-A542 HydrophobicContact CE2-CB 3.98Å; F450-A542 HydrophobicContact CG-CB 3.73Å |
| 451 | E | 95.9 | Very high | 95.9 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 58% | 0.575 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -62.2 | -32.6 | 173.4 | -168.1 | -164.9 | 164.5 | 0 | 0 | 111.9 | Q473 | E451-Q473 PolarHBondContact N-O 2.86Š|
| 452 | K | 95.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | trans | -136.2 | 144.4 | -178.4 | -57 | 175.5 | -172 | 171.3 | 0 | 110.2 | F450 Y455 | F450-K452 WeakPolarHBondContact CB-O 3.06Å; F450-K452 PolarHBondContact O-N 3.4Å; K452-Y455 HydrophobicContact CB-CD2 4.31Å; K452-Y455 HydrophobicContact CB-CE1 4.35Å; K452-Y455 HydrophobicContact CB-CE2 3.91Å; K452-Y455 HydrophobicContact CD-CD1 4.42Å; K452-Y455 HydrophobicContact CD-CE1 4.18Å; K452-Y455 HydrophobicContact CG-CE1 4.48Å; K452-Y455 PolarHBondContact N-OH 3.35Å; K452-Y455 VanDerWaalsContact O-CE2 3.22Å; K452-Y455 WeakPolarHBondContact O-CE2 3.4Å | ||
| 453 | S | 95.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 64 Ų | 64 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -77.1 | -23.1 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | T543 | S453-T543 PolarHBondContact O-N 3.19Š|
| 454 | L | 96.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.1 | 176.5 | 177.9 | 66.3 | 0 | 0 | 0 | 110.1 | T456 T543 | L454-T456 HydrophobicContact CD2-CG2 4.34Å; L454-T456 HydrophobicContact CG-CG2 4.25Å; L454-T543 CarbonylContact C-O 3.24Å; L454-T543 WeakPolarHBondContact CA-O 3.34Å; L454-T543 HydrophobicContact CD1-CG2 3.99Å |
| 455 | Y | 96.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 68.3 Ų | 68.3 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139 | 168.1 | -69.7 | -96.5 | 0 | 0 | 0 | 109.3 | F450 K452 V472 Q473 I527 A542 T543 L544 S545 | F450-Y455 HydrophobicContact CB-CE2 4.43Å; F450-Y455 HydrophobicContact CD1-CE2 4.12Å; K452-Y455 HydrophobicContact CB-CD2 4.31Å; K452-Y455 HydrophobicContact CB-CE1 4.35Å; K452-Y455 HydrophobicContact CB-CE2 3.91Å; K452-Y455 HydrophobicContact CD-CD1 4.42Å; K452-Y455 HydrophobicContact CD-CE1 4.18Å; K452-Y455 HydrophobicContact CG-CE1 4.48Å; K452-Y455 PolarHBondContact N-OH 3.35Å; K452-Y455 VanDerWaalsContact O-CE2 3.22Å; K452-Y455 WeakPolarHBondContact O-CE2 3.4Å; Y455-V472 HydrophobicContact CD1-CG1 3.95Å; Y455-V472 HydrophobicContact CD2-CG1 4.11Å; Y455-V472 HydrophobicContact CE1-CB 4.31Å; Y455-V472 HydrophobicContact CE1-CG1 4.1Å; Y455-V472 HydrophobicContact CE2-CB 4.4Å; Y455-V472 HydrophobicContact CE2-CG1 4.24Å; Y455-V472 HydrophobicContact CG-CG1 3.96Å; Y455-Q473 PolarHBondContact OH-O 3.33Å; Y455-I527 HydrophobicContact CD2-CD1 3.78Å; Y455-I527 HydrophobicContact CE2-CD1 4.04Å; Y455-A542 HydrophobicContact CD2-CB 4.39Å; Y455-A542 HydrophobicContact CE2-CB 4.3Å; Y455-T543 PolarHBondContact N-O 3.12Å; Y455-L544 WeakPolarHBondContact O-CA 3.42Å; Y455-L544 WeakPolarHBondContact O-CD1 3.44Å; Y455-S545 PolarHBondContact O-N 3.25Å |
| 456 | T | 96.6 | Very high | 95.7 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 64% | 0.638 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.2 | 176.5 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | L454 S545 | L454-T456 HydrophobicContact CD2-CG2 4.34Å; L454-T456 HydrophobicContact CG-CG2 4.25Å; T456-S545 VanDerWaalsContact CA-O 3.32Å; T456-S545 WeakPolarHBondContact CA-O 3.49Å |
| 457 | A | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 12% | 0.116 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 165.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | V469 V470 L544 S545 V546 S547 | A457-V469 HydrophobicContact CB-CG1 3.56Å; A457-V470 HydrophobicContact CB-CB 3.91Å; A457-V470 HydrophobicContact CB-CG1 4.19Å; A457-L544 HydrophobicContact CB-CD1 4.42Å; A457-S545 PolarHBondContact N-O 2.82Å; A457-V546 HydrophobicContact CB-CG1 4.47Å; A457-V546 WeakPolarHBondContact O-CA 3.14Å; A457-S547 PolarHBondContact O-N 2.99Å |
| 458 | Q | 95.6 | Very high | 95.8 | Very high | 135 Ų | 135 | 67.3 Ų | 67.3 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.9 | 174.6 | -78.9 | 177.3 | -10.8 | 0 | 0 | 109.8 | S547 L549 | Q458-S547 VanDerWaalsContact CA-O 3.31Å; Q458-S547 WeakPolarHBondContact CA-O 3.05Å; Q458-L549 HydrophobicContact CB-CD1 4.47Å; Q458-L549 HydrophobicContact CG-CD2 4.4Å |
| 459 | V | 96.2 | Very high | 95.8 | Very high | 9 Ų | 9 | 68.3 Ų | 68.3 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.5 | 173.8 | 68.6 | 0 | 0 | 0 | 0 | 109 | A463 T467 V469 F500 T511 V546 S547 I548 L549 | V459-A463 HydrophobicContact CG2-CB 3.59Å; V459-T467 HydrophobicContact CG2-CG2 4.48Å; V459-V469 HydrophobicContact CB-CG2 4.43Å; V459-V469 HydrophobicContact CG2-CG2 4.38Å; V459-F500 HydrophobicContact CG1-CE1 4.44Å; V459-T511 HydrophobicContact CG2-CG2 4.05Å; V459-V546 HydrophobicContact CB-CG1 4.46Å; V459-V546 HydrophobicContact CG1-CG1 3.73Å; V459-S547 PolarHBondContact N-O 3.13Å; V459-S547 VanDerWaalsContact N-O 3.12Å; V459-I548 HydrophobicContact CG1-CD1 3.45Å; V459-I548 VanDerWaalsContact CG1-CD1 3.45Å; V459-I548 CarbonylContact O-C 3.52Å; V459-I548 WeakPolarHBondContact O-CA 3.44Å; V459-L549 PolarHBondContact O-N 3Å |
| 460 | S | 94.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 142.7 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | K462 A463 | S460-K462 PolarHBondContact O-N 3.23Å; S460-K462 PolarHBondContact OG-N 3.09Å; S460-A463 WeakPolarHBondContact O-CB 3.35Å; S460-A463 PolarHBondContact O-N 2.85Å |
| 461 | E | 93.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 68.1 Ų | 68.1 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | 173.9 | 74.6 | -172 | 171.6 | 0 | 0 | 112.9 | A463 C517 I548 L549 V551 | E461-A463 PolarHBondContact O-N 3.42Å; E461-C517 WeakPolarHBondContact OE2-CB 3.47Å; E461-C517 PolarHBondContact OE2-N 2.74Å; E461-I548 HydrophobicContact CB-CG2 3.77Å; E461-L549 PolarHBondContact N-O 2.94Å; E461-V551 HydrophobicContact CG-CB 4.11Å; E461-V551 HydrophobicContact CG-CG2 3.99Å; E461-V551 VanDerWaalsContact OE1-C 3.28Å; E461-V551 WeakPolarHBondContact OE1-CA 3.31Å; E461-V551 WeakPolarHBondContact OE1-CB 3.44Å; E461-V551 PolarHBondContact OE1-N 2.94Å |
| 462 | K | 92 | Very high | 95.8 | Very high | 133 Ų | 133 | 62.2 Ų | 62.2 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.8 | 172.8 | -70.2 | -170.3 | 177.6 | 171.5 | 0 | 113.8 | S460 V551 | S460-K462 PolarHBondContact O-N 3.23Å; S460-K462 PolarHBondContact OG-N 3.09Å; K462-V551 HydrophobicContact CD-CB 4.16Å; K462-V551 HydrophobicContact CD-CG1 3.72Å; K462-V551 HydrophobicContact CD-CG2 4.22Å; K462-V551 HydrophobicContact CG-CB 4.21Å; K462-V551 HydrophobicContact CG-CG1 4.33Å; K462-V551 HydrophobicContact CG-CG2 4.07Å |
| 463 | A | 93.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 126.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V459 S460 E461 T467 | V459-A463 HydrophobicContact CG2-CB 3.59Å; S460-A463 WeakPolarHBondContact O-CB 3.35Å; S460-A463 PolarHBondContact O-N 2.85Å; E461-A463 PolarHBondContact O-N 3.42Å; A463-T467 HydrophobicContact CB-CG2 4.09Å |
| 464 | P | 94.9 | Very high | 95.9 | Very high | 85 Ų | 85 | 57 Ų | 57 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -67 | 156.1 | 175.8 | 28.5 | -34.5 | 0 | 0 | 0 | 111.1 | G466 T467 T511 | P464-G466 PolarHBondContact O-N 3.28Å; P464-T467 WeakPolarHBondContact CD-OG1 3.31Å; P464-T467 WeakPolarHBondContact O-CB 3.36Å; P464-T467 PolarHBondContact O-N 2.72Å; P464-T467 PolarHBondContact O-OG1 2.79Å; P464-T511 PolarHBondContact O-OG1 3.09Å |
| 465 | P | 96.4 | Very high | 95.9 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.7 | 168.2 | -26.8 | 35.2 | 0 | 0 | 0 | 111.7 | T511 | P465-T511 WeakPolarHBondContact CA-OG1 3.49Š|
| 466 | G | 95.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | 1.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | P464 T511 | P464-G466 PolarHBondContact O-N 3.28Å; G466-T511 WeakPolarHBondContact CA-O 3.42Å; G466-T511 PolarHBondContact N-O 3.35Å; G466-T511 PolarHBondContact N-OG1 3.2Å; G466-T511 VanDerWaalsContact N-OG1 3.13Å |
| 467 | T | 97.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 55.3 Ų | 55.3 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | trans | -69.4 | 134.5 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | V459 A463 P464 T510 T511 | V459-T467 HydrophobicContact CG2-CG2 4.48Å; A463-T467 HydrophobicContact CB-CG2 4.09Å; P464-T467 WeakPolarHBondContact CD-OG1 3.31Å; P464-T467 WeakPolarHBondContact O-CB 3.36Å; P464-T467 PolarHBondContact O-N 2.72Å; P464-T467 PolarHBondContact O-OG1 2.79Å; T467-T510 CarbonylContact O-C 3.54Å; T467-T510 WeakPolarHBondContact O-CA 3.41Å; T467-T510 WeakPolarHBondContact O-CB 3.22Å; T467-T511 PolarHBondContact N-OG1 3.29Å; T467-T511 PolarHBondContact O-N 2.85Å | ||
| 468 | S | 97.4 | Very high | 95.9 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 56% | 0.559 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.4 | 176.9 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 469 | V | 96.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -58.6 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | A457 V459 F500 I509 T511 V546 | A457-V469 HydrophobicContact CB-CG1 3.56Å; V459-V469 HydrophobicContact CB-CG2 4.43Å; V459-V469 HydrophobicContact CG2-CG2 4.38Å; V469-F500 HydrophobicContact CG1-CE1 4.46Å; V469-F500 HydrophobicContact CG2-CD1 4.14Å; V469-F500 HydrophobicContact CG2-CE1 4.06Å; V469-I509 PolarHBondContact N-O 3.04Å; V469-T511 HydrophobicContact CG2-CG2 3.99Å; V469-V546 HydrophobicContact CG1-CG1 3.92Å; V469-V546 HydrophobicContact CG1-CG2 4.28Å |
| 470 | V | 96.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.176 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 154.5 | 179.6 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | A457 I509 L544 | A457-V470 HydrophobicContact CB-CB 3.91Å; A457-V470 HydrophobicContact CB-CG1 4.19Å; V470-I509 HydrophobicContact CG1-CB 4.18Å; V470-I509 HydrophobicContact CG1-CD1 4.07Å; V470-I509 WeakPolarHBondContact O-CB 3.1Å; V470-I509 PolarHBondContact O-N 3.13Å; V470-L544 HydrophobicContact CG1-CD1 3.83Å; V470-L544 HydrophobicContact CG1-CD2 3.92Å |
| 471 | R | 96.8 | Very high | 95.9 | Very high | 162 Ų | 162 | 59 Ų | 59 | 61% | 0.611 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.8 | 169.9 | -172.3 | 176.5 | -176.1 | 179.5 | -1.5 | 109.5 | T506 G507 L508 | R471-T506 PolarHBondContact NE-O 2.98Å; R471-T506 PolarHBondContact NH2-O 2.91Å; R471-G507 WeakPolarHBondContact CA-O 3.39Å; R471-L508 HydrophobicContact CB-CD1 4.24Å |
| 472 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -101.8 | 154 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | F450 Y455 Y487 I502 G507 I509 I527 | F450-V472 HydrophobicContact CE1-CB 4.22Å; F450-V472 HydrophobicContact CE1-CG2 4.17Å; Y455-V472 HydrophobicContact CD1-CG1 3.95Å; Y455-V472 HydrophobicContact CD2-CG1 4.11Å; Y455-V472 HydrophobicContact CE1-CB 4.31Å; Y455-V472 HydrophobicContact CE1-CG1 4.1Å; Y455-V472 HydrophobicContact CE2-CB 4.4Å; Y455-V472 HydrophobicContact CE2-CG1 4.24Å; Y455-V472 HydrophobicContact CG-CG1 3.96Å; V472-Y487 HydrophobicContact CG2-CD1 3.95Å; V472-Y487 HydrophobicContact CG2-CE1 4.22Å; V472-I502 HydrophobicContact CG2-CD1 3.78Å; V472-G507 WeakPolarHBondContact CG2-O 2.91Å; V472-G507 PolarHBondContact N-O 2.79Å; V472-I509 HydrophobicContact CG1-CD1 3.97Å; V472-I527 HydrophobicContact CB-CD1 3.9Å; V472-I527 HydrophobicContact CG1-CD1 3.46Å; V472-I527 VanDerWaalsContact CG1-CD1 3.46Å; V472-I527 HydrophobicContact CG2-CD1 4.18Å | ||
| 473 | Q | 96.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 42% | 0.416 | 31% | 0.312 | S | S | . | . | trans | -143 | 130.7 | -179.8 | -168.1 | 166.1 | 16.8 | 0 | 0 | 110.1 | E451 Y455 F475 | E451-Q473 PolarHBondContact N-O 2.86Å; Y455-Q473 PolarHBondContact OH-O 3.33Å; Q473-F475 VanDerWaalsContact CD-CZ 3.44Å; Q473-F475 HydrophobicContact CG-CE1 4.37Å; Q473-F475 HydrophobicContact CG-CE2 3.91Å; Q473-F475 HydrophobicContact CG-CZ 3.79Å | ||
| 474 | A | 97 | Very high | 96.3 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P448 R449 F450 V485 Y487 A529 | P448-A474 HydrophobicContact CB-CB 4.38Å; R449-A474 CarbonylContact O-C 3.48Å; R449-A474 WeakPolarHBondContact O-CA 3.47Å; R449-A474 WeakPolarHBondContact O-CB 3.24Å; F450-A474 HydrophobicContact CD1-CB 3.93Å; F450-A474 HydrophobicContact CE1-CB 4.17Å; F450-A474 HydrophobicContact CG-CB 4.2Å; A474-V485 HydrophobicContact CB-CG1 4.18Å; A474-Y487 HydrophobicContact CB-CE1 3.94Å; A474-Y487 PolarHBondContact N-OH 2.88Å; A474-Y487 PolarHBondContact O-OH 3.45Å; A474-A529 HydrophobicContact CB-CB 3.56Å |
| 475 | F | 96.7 | Very high | 96.4 | Very high | 94 Ų | 94 | 56 Ų | 56 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.5 | -178.8 | -62.6 | -84.5 | 0 | 0 | 0 | 109.4 | R449 Q473 | R449-F475 HydrophobicContact CG-CB 4.39Å; R449-F475 WeakPolarHBondContact CG-O 3.4Å; R449-F475 PolarHBondContact N-O 2.81Å; R449-F475 PolarHBondContact O-N 2.76Å; Q473-F475 VanDerWaalsContact CD-CZ 3.44Å; Q473-F475 HydrophobicContact CG-CE1 4.37Å; Q473-F475 HydrophobicContact CG-CE2 3.91Å; Q473-F475 HydrophobicContact CG-CZ 3.79Å |
| 476 | D | 97.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | trans | -127.3 | 124.9 | 175.7 | -162.2 | -53.5 | 0 | 0 | 0 | 107.9 | P448 D478 V485 | P448-D476 WeakPolarHBondContact CA-OD2 3.42Å; P448-D476 HydrophobicContact CB-CB 4.48Å; P448-D476 WeakPolarHBondContact CD-OD2 3.09Å; P448-D476 HydrophobicContact CG-CB 4.46Å; P448-D476 VanDerWaalsContact CG-OD2 3.24Å; P448-D476 WeakPolarHBondContact CG-OD2 3.11Å; D476-D478 VanDerWaalsContact C-N 3.28Å; D476-D478 WeakPolarHBondContact OD1-CB 3.3Å; D476-D478 PolarHBondContact OD1-N 3.04Å; D476-V485 HydrophobicContact CB-CG2 3.91Å | ||
| 477 | P | 96.5 | Very high | 96.5 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | trans | -78.1 | -10.7 | -176.1 | 35.6 | -37.8 | 0 | 0 | 0 | 113.8 | R410 E411 N446 | R410-P477 PolarHBondContact NH2-O 2.84Å; E411-P477 HydrophobicContact CG-CB 3.72Å; E411-P477 HydrophobicContact CG-CG 4.02Å; N446-P477 HydrophobicContact CB-CG 3.49Å; N446-P477 VanDerWaalsContact CB-CG 3.49Å | ||
| 478 | D | 97.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.6 | 165.3 | -173.6 | -64.1 | -3.6 | 0 | 0 | 0 | 112 | N444 D445 N446 D476 N482 G483 | N444-D478 WeakPolarHBondContact CA-OD2 3.43Å; N444-D478 PolarHBondContact OD1-OD2 2.82Å; D445-D478 PolarHBondContact N-OD2 3.43Å; N446-D478 VanDerWaalsContact CB-OD1 3.31Å; N446-D478 WeakPolarHBondContact CB-OD1 3.24Å; N446-D478 PolarHBondContact N-OD2 3.45Å; N446-D478 VanDerWaalsContact N-OD2 3.09Å; N446-D478 PolarHBondContact ND2-OD1 3.4Å; D476-D478 VanDerWaalsContact C-N 3.28Å; D476-D478 WeakPolarHBondContact OD1-CB 3.3Å; D476-D478 PolarHBondContact OD1-N 3.04Å; D478-N482 HydrophobicContact CB-CB 3.64Å; D478-G483 VanDerWaalsContact O-CA 3.3Å; D478-G483 WeakPolarHBondContact O-CA 3.46Å |
| 479 | Q | 95.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -92.7 | 136.2 | -173.5 | 177.7 | 163 | 90.2 | 0 | 0 | 112.7 | D442 R481 N482 | D442-Q479 HydrophobicContact CB-CB 3.79Å; D442-Q479 VanDerWaalsContact CG-N 3.29Å; D442-Q479 WeakPolarHBondContact OD1-CB 3.38Å; D442-Q479 PolarHBondContact OD1-N 2.68Å; D442-Q479 PolarHBondContact OD2-N 2.61Å; Q479-R481 PolarHBondContact O-N 3.3Å; Q479-N482 PolarHBondContact O-N 2.89Å |
| 480 | G | 94.5 | Very high | 96.2 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -122.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q484 | G480-Q484 WeakPolarHBondContact O-CB 3.38Å; G480-Q484 PolarHBondContact O-N 2.89Å |
| 481 | R | 95.6 | Very high | 95.8 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -32.2 | -178.3 | -63.2 | -174 | 89.2 | -167 | -1.6 | 112.1 | Q479 G483 Q484 H532 E534 | Q479-R481 PolarHBondContact O-N 3.3Å; R481-G483 VanDerWaalsContact C-N 3.28Å; R481-G483 PolarHBondContact O-N 3.12Å; R481-Q484 PolarHBondContact O-N 2.98Å; R481-Q484 VanDerWaalsContact O-N 3.1Å; R481-H532 HydrophobicContact CB-CB 4.03Å; R481-H532 CarbonylContact O-C 3.59Å; R481-H532 WeakPolarHBondContact O-CA 3.46Å; R481-H532 WeakPolarHBondContact O-CB 3.18Å; R481-H532 PolarHBondContact O-N 3.08Å; R481-H532 VanDerWaalsContact O-N 3.08Å; R481-E534 IonicContact CZ-OE1 2.68Å; R481-E534 IonicContact NH1-OE1 3.37Å; R481-E534 PolarHBondContact NH1-OE1 2.97Å; R481-E534 IonicContact NH2-OE1 2.61Å |
| 482 | N | 95.5 | Very high | 95.4 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36.1 | 176.6 | -63.5 | -7.6 | 0 | 0 | 0 | 111 | D442 N444 D478 Q479 D531 | D442-N482 WeakPolarHBondContact OD2-CB 3.48Å; D442-N482 PolarHBondContact OD2-ND2 3.1Å; N444-N482 HydrophobicContact CB-CB 4.05Å; N444-N482 PolarHBondContact N-ND2 3.32Å; N444-N482 WeakPolarHBondContact OD1-CA 3.15Å; N444-N482 VanDerWaalsContact OD1-CB 3.27Å; N444-N482 WeakPolarHBondContact OD1-CB 3.35Å; N444-N482 PolarHBondContact OD1-O 3.25Å; D478-N482 HydrophobicContact CB-CB 3.64Å; Q479-N482 PolarHBondContact O-N 2.89Å; N482-D531 WeakPolarHBondContact O-CB 3.48Å |
| 483 | G | 95.2 | Very high | 94.7 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116 | D478 R481 V485 | D478-G483 VanDerWaalsContact O-CA 3.3Å; D478-G483 WeakPolarHBondContact O-CA 3.46Å; R481-G483 VanDerWaalsContact C-N 3.28Å; R481-G483 PolarHBondContact O-N 3.12Å; G483-V485 PolarHBondContact O-N 3.34Å |
| 484 | Q | 96.2 | Very high | 94 | Very high | 102 Ų | 102 | 62.4 Ų | 62.4 | 48% | 0.477 | 35% | 0.354 | S | S | . | . | trans | -89.6 | 104.3 | -172 | -170.7 | -177.7 | -3.2 | 0 | 0 | 110.9 | G480 R481 D531 H532 | G480-Q484 WeakPolarHBondContact O-CB 3.38Å; G480-Q484 PolarHBondContact O-N 2.89Å; R481-Q484 PolarHBondContact O-N 2.98Å; R481-Q484 VanDerWaalsContact O-N 3.1Å; Q484-D531 CarbonylContact O-C 3.56Å; Q484-D531 WeakPolarHBondContact O-CA 3.44Å; Q484-H532 PolarHBondContact O-CD2 3.44Å; Q484-H532 PolarHBondContact O-N 2.77Å | ||
| 485 | V | 96.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 62.5 Ų | 62.5 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | trans | -79.1 | 134.7 | -176.1 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | P448 A474 D476 G483 Y487 A529 E530 | P448-V485 HydrophobicContact CB-CG1 4.5Å; P448-V485 HydrophobicContact CB-CG2 4.08Å; P448-V485 HydrophobicContact CG-CG2 4.32Å; A474-V485 HydrophobicContact CB-CG1 4.18Å; D476-V485 HydrophobicContact CB-CG2 3.91Å; G483-V485 PolarHBondContact O-N 3.34Å; V485-Y487 HydrophobicContact CG1-CD1 4.4Å; V485-Y487 HydrophobicContact CG1-CD2 4.5Å; V485-Y487 HydrophobicContact CG1-CE1 3.97Å; V485-Y487 HydrophobicContact CG1-CE2 4.05Å; V485-A529 HydrophobicContact CG1-CB 3.83Å; V485-E530 CarbonylContact C-O 3.53Å | ||
| 486 | R | 96.8 | Very high | 93.2 | Very high | 130 Ų | 130 | 61.3 Ų | 61.3 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.5 | 167.9 | -173.7 | -177 | -177.8 | -170.9 | -1.8 | 110.2 | S504 A529 E530 | R486-S504 WeakPolarHBondContact CA-O 3.45Å; R486-A529 WeakPolarHBondContact O-CA 3.49Å; R486-E530 PolarHBondContact N-O 2.8Å; R486-E530 PolarHBondContact O-N 3.46Å |
| 487 | Y | 97.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 9% | 0.09 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 148.1 | -179.9 | -57.9 | -85.3 | 0 | 0 | 0 | 112.7 | F450 V472 A474 V485 I502 S504 T528 A529 | F450-Y487 HydrophobicContact CE1-CD1 4.1Å; F450-Y487 HydrophobicContact CE1-CE1 4.02Å; F450-Y487 HydrophobicContact CZ-CD1 4.41Å; V472-Y487 HydrophobicContact CG2-CD1 3.95Å; V472-Y487 HydrophobicContact CG2-CE1 4.22Å; A474-Y487 HydrophobicContact CB-CE1 3.94Å; A474-Y487 PolarHBondContact N-OH 2.88Å; A474-Y487 PolarHBondContact O-OH 3.45Å; V485-Y487 HydrophobicContact CG1-CD1 4.4Å; V485-Y487 HydrophobicContact CG1-CD2 4.5Å; V485-Y487 HydrophobicContact CG1-CE1 3.97Å; V485-Y487 HydrophobicContact CG1-CE2 4.05Å; Y487-I502 HydrophobicContact CG-CD1 4.39Å; Y487-S504 PolarHBondContact N-O 2.73Å; Y487-S504 WeakPolarHBondContact O-CA 3.25Å; Y487-S504 WeakPolarHBondContact O-CB 3.26Å; Y487-T528 WeakPolarHBondContact CA-O 3.15Å; Y487-A529 HydrophobicContact CD1-CB 4.32Å; Y487-A529 HydrophobicContact CE1-CB 4.36Å |
| 488 | G | 96.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 169.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I527 T528 | G488-I527 WeakPolarHBondContact O-CA 3.34Å; G488-T528 VanDerWaalsContact CA-OG1 3.27Å; G488-T528 WeakPolarHBondContact CA-OG1 3.35Å; G488-T528 PolarHBondContact N-O 2.81Å; G488-T528 PolarHBondContact N-OG1 3.33Å; G488-T528 PolarHBondContact O-N 2.97Å; G488-T528 PolarHBondContact O-OG1 2.79Å |
| 489 | L | 95.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.1 | 170.4 | -68.5 | 171.5 | 0 | 0 | 0 | 108.1 | I502 F525 I527 | L489-I502 HydrophobicContact CD1-CB 4.28Å; L489-I502 HydrophobicContact CD1-CG2 4.22Å; L489-I502 HydrophobicContact CG-CB 4.06Å; L489-I502 HydrophobicContact CG-CG2 3.74Å; L489-F525 HydrophobicContact CD2-CD2 3.68Å; L489-F525 HydrophobicContact CD2-CE2 3.51Å; L489-I527 HydrophobicContact CD2-CG2 3.66Å |
| 490 | V | 93.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | trans | -88.6 | 121.6 | 173.6 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | E492 I526 T528 | V490-E492 HydrophobicContact CG1-CG 4.24Å; V490-E492 PolarHBondContact O-N 3.42Å; V490-I526 HydrophobicContact CB-CB 4.05Å; V490-I526 HydrophobicContact CB-CG2 4.45Å; V490-I526 HydrophobicContact CG2-CB 3.96Å; V490-I526 HydrophobicContact CG2-CG2 3.8Å; V490-I526 PolarHBondContact N-O 3.44Å; V490-T528 HydrophobicContact CG2-CG2 3.32Å | ||
| 491 | A | 88.1 | Confident | 92.7 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 69% | 0.686 | 34% | 0.335 | S | S | * | . | trans | -72.4 | 116 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 492 | E | 88.3 | Confident | 92.8 | Very high | 93 Ų | 93 | 58.3 Ų | 58.3 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | trans | -128.3 | 130.3 | 173.9 | -75.6 | -174.6 | 171 | 0 | 0 | 109.8 | V490 G494 S495 I526 | V490-E492 HydrophobicContact CG1-CG 4.24Å; V490-E492 PolarHBondContact O-N 3.42Å; E492-G494 PolarHBondContact O-N 2.94Å; E492-S495 VanDerWaalsContact O-CB 3.3Å; E492-S495 WeakPolarHBondContact O-CB 3.45Å; E492-S495 PolarHBondContact O-N 3Å; E492-S495 VanDerWaalsContact O-N 3.1Å; E492-S495 PolarHBondContact O-OG 3.44Å; E492-I526 WeakPolarHBondContact OE1-CD1 3.49Å | ||
| 493 | D | 83.3 | Confident | 92.9 | Very high | 176 Ų | 176 | 60.2 Ų | 60.2 | 94% | 0.941 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.5 | 179.8 | -75.5 | -25.7 | 0 | 0 | 0 | 111.3 | S495 | D493-S495 VanDerWaalsContact C-N 3.3Å; D493-S495 PolarHBondContact O-N 2.94Å |
| 494 | G | 80.8 | Confident | 93 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 69% | 0.691 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E492 Y496 | E492-G494 PolarHBondContact O-N 2.94Å; G494-Y496 VanDerWaalsContact C-N 3.34Å; G494-Y496 VanDerWaalsContact O-CD2 3.25Å; G494-Y496 WeakPolarHBondContact O-CD2 3.33Å; G494-Y496 WeakPolarHBondContact O-CE2 3.4Å |
| 495 | S | 86.8 | Confident | 93 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 6% | 0.063 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -81.4 | -13.7 | 176.2 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | E492 D493 D497 P523 K524 | E492-S495 VanDerWaalsContact O-CB 3.3Å; E492-S495 WeakPolarHBondContact O-CB 3.45Å; E492-S495 PolarHBondContact O-N 3Å; E492-S495 VanDerWaalsContact O-N 3.1Å; E492-S495 PolarHBondContact O-OG 3.44Å; D493-S495 VanDerWaalsContact C-N 3.3Å; D493-S495 PolarHBondContact O-N 2.94Å; S495-D497 PolarHBondContact O-N 2.71Å; S495-D497 PolarHBondContact OG-N 3.07Å; S495-D497 PolarHBondContact OG-OD1 3.1Å; S495-D497 VanDerWaalsContact OG-OD1 3.07Å; S495-P523 WeakPolarHBondContact O-CB 3.17Å; S495-K524 WeakPolarHBondContact CB-O 3.48Å |
| 496 | Y | 90.4 | Very high | 93 | Very high | 68 Ų | 68 | 65.8 Ų | 65.8 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | trans | 55.7 | 27.8 | -173.9 | -54.7 | -98.7 | 0 | 0 | 0 | 113.5 | G494 H498 W499 L519 S520 | G494-Y496 VanDerWaalsContact C-N 3.34Å; G494-Y496 VanDerWaalsContact O-CD2 3.25Å; G494-Y496 WeakPolarHBondContact O-CD2 3.33Å; G494-Y496 WeakPolarHBondContact O-CE2 3.4Å; Y496-H498 PolarHBondContact O-N 2.86Å; Y496-W499 HydrophobicContact CD1-CD2 4.27Å; Y496-W499 AromaticContact CD1-CE2 3.73Å; Y496-W499 HydrophobicContact CD1-CE3 4.43Å; Y496-W499 AromaticContact CD1-CH2 3.59Å; Y496-W499 HydrophobicContact CD1-CH2 3.59Å; Y496-W499 AromaticContact CD1-CZ2 3.38Å; Y496-W499 HydrophobicContact CD1-CZ2 3.38Å; Y496-W499 HydrophobicContact CD1-CZ3 4.12Å; Y496-W499 HydrophobicContact CE1-CH2 4.05Å; Y496-W499 AromaticContact CE1-CZ2 3.9Å; Y496-W499 HydrophobicContact CE1-CZ2 3.9Å; Y496-W499 HydrophobicContact CG-CE3 4.41Å; Y496-W499 HydrophobicContact CG-CH2 4.13Å; Y496-W499 HydrophobicContact CG-CZ2 4.24Å; Y496-W499 HydrophobicContact CG-CZ3 4.22Å; Y496-W499 WeakPolarHBondContact O-CB 3.41Å; Y496-W499 PolarHBondContact O-N 3.36Å; Y496-L519 HydrophobicContact CE1-CB 4.12Å; Y496-L519 PolarHBondContact OH-O 3.35Å; Y496-L519 VanDerWaalsContact OH-O 3.13Å; Y496-S520 VanDerWaalsContact CE2-CB 3.49Å | ||
| 497 | D | 90.6 | Very high | 92.9 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.15 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -57.7 | -32.5 | 174.7 | 66.5 | -59 | 0 | 0 | 0 | 112.7 | S495 W499 F500 F525 | S495-D497 PolarHBondContact O-N 2.71Å; S495-D497 PolarHBondContact OG-N 3.07Å; S495-D497 PolarHBondContact OG-OD1 3.1Å; S495-D497 VanDerWaalsContact OG-OD1 3.07Å; D497-W499 PolarHBondContact O-N 3.29Å; D497-W499 VanDerWaalsContact O-N 3.09Å; D497-F500 CarbonylContact O-C 3.51Å; D497-F500 WeakPolarHBondContact O-CA 3.27Å; D497-F500 PolarHBondContact O-N 3.03Å; D497-F500 VanDerWaalsContact O-O 3.04Å; D497-F525 HydrophobicContact CB-CB 3.98Å; D497-F525 HydrophobicContact CB-CD1 4.34Å; D497-F525 HydrophobicContact CB-CD2 4.41Å; D497-F525 HydrophobicContact CB-CG 4.01Å |
| 498 | H | 92.3 | Very high | 92.9 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -59.3 | -18.7 | 177.1 | 66.5 | -82.1 | 0 | 0 | 0 | 114.6 | Y496 F500 | Y496-H498 PolarHBondContact O-N 2.86Å; H498-F500 PolarHBondContact O-N 2.99Å |
| 499 | W | 95 | Very high | 93 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -71.1 | -11.7 | 170.8 | -68.4 | -13 | 0 | 0 | 0 | 113.3 | Y496 D497 T511 A512 V515 D516 L519 P523 I548 | Y496-W499 HydrophobicContact CD1-CD2 4.27Å; Y496-W499 AromaticContact CD1-CE2 3.73Å; Y496-W499 HydrophobicContact CD1-CE3 4.43Å; Y496-W499 AromaticContact CD1-CH2 3.59Å; Y496-W499 HydrophobicContact CD1-CH2 3.59Å; Y496-W499 AromaticContact CD1-CZ2 3.38Å; Y496-W499 HydrophobicContact CD1-CZ2 3.38Å; Y496-W499 HydrophobicContact CD1-CZ3 4.12Å; Y496-W499 HydrophobicContact CE1-CH2 4.05Å; Y496-W499 AromaticContact CE1-CZ2 3.9Å; Y496-W499 HydrophobicContact CE1-CZ2 3.9Å; Y496-W499 HydrophobicContact CG-CE3 4.41Å; Y496-W499 HydrophobicContact CG-CH2 4.13Å; Y496-W499 HydrophobicContact CG-CZ2 4.24Å; Y496-W499 HydrophobicContact CG-CZ3 4.22Å; Y496-W499 WeakPolarHBondContact O-CB 3.41Å; Y496-W499 PolarHBondContact O-N 3.36Å; D497-W499 PolarHBondContact O-N 3.29Å; D497-W499 VanDerWaalsContact O-N 3.09Å; W499-T511 CarbonylContact O-C 3.54Å; W499-T511 WeakPolarHBondContact O-CA 3.39Å; W499-A512 PolarHBondContact O-N 3.48Å; W499-V515 HydrophobicContact CB-CG1 3.81Å; W499-V515 HydrophobicContact CD2-CG1 4.03Å; W499-V515 HydrophobicContact CE3-CB 4.25Å; W499-V515 HydrophobicContact CE3-CG1 3.82Å; W499-V515 HydrophobicContact CG-CG1 4.08Å; W499-D516 HydrophobicContact CH2-CB 4.38Å; W499-D516 WeakPolarHBondContact CH2-O 3.35Å; W499-D516 HydrophobicContact CZ2-CB 4.29Å; W499-L519 HydrophobicContact CH2-CB 3.84Å; W499-L519 HydrophobicContact CZ2-CB 3.93Å; W499-L519 HydrophobicContact CZ2-CD1 4.06Å; W499-P523 HydrophobicContact CE3-CG 4.34Å; W499-P523 HydrophobicContact CZ3-CG 4.35Å; W499-I548 HydrophobicContact CZ3-CG1 4.5Å |
| 500 | F | 96.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 156.3 | -174.8 | -55 | -82.7 | 0 | 0 | 0 | 110.8 | V459 V469 D497 H498 I509 T510 T511 V515 P523 F525 V546 I548 | V459-F500 HydrophobicContact CG1-CE1 4.44Å; V469-F500 HydrophobicContact CG1-CE1 4.46Å; V469-F500 HydrophobicContact CG2-CD1 4.14Å; V469-F500 HydrophobicContact CG2-CE1 4.06Å; D497-F500 CarbonylContact O-C 3.51Å; D497-F500 WeakPolarHBondContact O-CA 3.27Å; D497-F500 PolarHBondContact O-N 3.03Å; D497-F500 VanDerWaalsContact O-O 3.04Å; H498-F500 PolarHBondContact O-N 2.99Å; F500-I509 HydrophobicContact CB-CG2 4.05Å; F500-I509 HydrophobicContact CD1-CG2 4.31Å; F500-T510 CarbonylContact C-O 3.5Å; F500-T510 WeakPolarHBondContact CA-O 3.39Å; F500-T511 HydrophobicContact CE1-CG2 4.37Å; F500-V515 HydrophobicContact CE1-CG1 4.45Å; F500-V515 HydrophobicContact CZ-CG1 4.12Å; F500-P523 HydrophobicContact CE2-CB 4.45Å; F500-P523 HydrophobicContact CE2-CG 4Å; F500-P523 HydrophobicContact CZ-CG 4.29Å; F500-F525 HydrophobicContact CB-CZ 4Å; F500-F525 HydrophobicContact CD2-CD1 4.43Å; F500-F525 AromaticContact CD2-CE1 3.35Å; F500-F525 HydrophobicContact CD2-CE1 3.35Å; F500-F525 AromaticContact CD2-CZ 3.44Å; F500-F525 HydrophobicContact CD2-CZ 3.44Å; F500-F525 VanDerWaalsContact CD2-CZ 3.44Å; F500-F525 AromaticContact CE2-CE1 3.61Å; F500-F525 HydrophobicContact CE2-CE1 3.61Å; F500-F525 HydrophobicContact CE2-CZ 4.03Å; F500-F525 HydrophobicContact CG-CE1 4.13Å; F500-F525 AromaticContact CG-CZ 3.73Å; F500-F525 HydrophobicContact CG-CZ 3.73Å; F500-V546 HydrophobicContact CE1-CB 4.38Å; F500-V546 HydrophobicContact CE1-CG1 4Å; F500-V546 HydrophobicContact CE1-CG2 4.13Å; F500-V546 HydrophobicContact CE2-CG2 4.38Å; F500-V546 HydrophobicContact CZ-CB 3.91Å; F500-V546 HydrophobicContact CZ-CG1 3.84Å; F500-V546 HydrophobicContact CZ-CG2 3.94Å; F500-I548 HydrophobicContact CZ-CD1 4.21Å |
| 501 | K | 96.2 | Very high | 93.3 | Very high | 111 Ų | 111 | 57 Ų | 57 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.6 | 168.7 | 64.9 | -177.5 | 178.9 | -176.4 | 0 | 109.3 | I509 T510 A512 | K501-I509 WeakPolarHBondContact O-CA 3.44Å; K501-T510 WeakPolarHBondContact CE-OG1 3.27Å; K501-T510 WeakPolarHBondContact CG-OG1 3.21Å; K501-T510 PolarHBondContact N-O 3.42Å; K501-T510 PolarHBondContact O-N 3.09Å; K501-A512 HydrophobicContact CB-CB 4.08Å; K501-A512 HydrophobicContact CD-CB 4.29Å; K501-A512 HydrophobicContact CG-CB 4.14Å |
| 502 | I | 97.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.8 | 175.8 | -167 | 162.9 | 0 | 0 | 0 | 110.5 | V472 Y487 L489 S504 L508 I509 | V472-I502 HydrophobicContact CG2-CD1 3.78Å; Y487-I502 HydrophobicContact CG-CD1 4.39Å; L489-I502 HydrophobicContact CD1-CB 4.28Å; L489-I502 HydrophobicContact CD1-CG2 4.22Å; L489-I502 HydrophobicContact CG-CB 4.06Å; L489-I502 HydrophobicContact CG-CG2 3.74Å; I502-S504 PolarHBondContact O-N 3.37Å; I502-L508 WeakPolarHBondContact CA-O 3.3Å; I502-I509 HydrophobicContact CB-CG1 3.99Å; I502-I509 HydrophobicContact CD1-CD1 4.02Å; I502-I509 HydrophobicContact CD1-CG1 3.76Å; I502-I509 HydrophobicContact CG1-CG1 3.73Å |
| 503 | D | 97.5 | Very high | 93.9 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | trans | -75.2 | 116.7 | 166.7 | 180 | -75.7 | 0 | 0 | 0 | 109.6 | Q505 T506 G507 L508 | D503-Q505 PolarHBondContact O-N 2.91Å; D503-Q505 VanDerWaalsContact O-N 3.09Å; D503-Q505 PolarHBondContact OD1-N 3.09Å; D503-T506 VanDerWaalsContact CB-OG1 3.26Å; D503-T506 WeakPolarHBondContact CB-OG1 3.42Å; D503-T506 PolarHBondContact O-N 2.89Å; D503-T506 WeakPolarHBondContact OD1-CB 3.45Å; D503-T506 WeakPolarHBondContact OD1-CG2 3.37Å; D503-T506 PolarHBondContact OD1-N 3.46Å; D503-T506 PolarHBondContact OD1-OG1 3.37Å; D503-G507 PolarHBondContact O-N 3.47Å; D503-L508 HydrophobicContact CB-CB 4.46Å; D503-L508 PolarHBondContact N-O 2.83Å | ||
| 504 | S | 96.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.2 | -171.5 | 64.9 | 0 | 0 | 0 | 0 | 115.3 | R486 Y487 I502 | R486-S504 WeakPolarHBondContact CA-O 3.45Å; Y487-S504 PolarHBondContact N-O 2.73Å; Y487-S504 WeakPolarHBondContact O-CA 3.25Å; Y487-S504 WeakPolarHBondContact O-CB 3.26Å; I502-S504 PolarHBondContact O-N 3.37Å |
| 505 | Q | 95.8 | Very high | 95 | Very high | 161 Ų | 161 | 47.5 Ų | 47.5 | 75% | 0.752 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | -36.5 | -178.9 | -66.3 | -177.8 | -11.9 | 0 | 0 | 112.4 | D503 | D503-Q505 PolarHBondContact O-N 2.91Å; D503-Q505 VanDerWaalsContact O-N 3.09Å; D503-Q505 PolarHBondContact OD1-N 3.09Å |
| 506 | T | 96.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -17.8 | -172.8 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | R471 D503 L508 | R471-T506 PolarHBondContact NE-O 2.98Å; R471-T506 PolarHBondContact NH2-O 2.91Å; D503-T506 VanDerWaalsContact CB-OG1 3.26Å; D503-T506 WeakPolarHBondContact CB-OG1 3.42Å; D503-T506 PolarHBondContact O-N 2.89Å; D503-T506 WeakPolarHBondContact OD1-CB 3.45Å; D503-T506 WeakPolarHBondContact OD1-CG2 3.37Å; D503-T506 PolarHBondContact OD1-N 3.46Å; D503-T506 PolarHBondContact OD1-OG1 3.37Å; T506-L508 PolarHBondContact O-N 3.29Å; T506-L508 PolarHBondContact OG1-N 3.13Å |
| 507 | G | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | 71.4 | 15.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R471 V472 D503 | R471-G507 WeakPolarHBondContact CA-O 3.39Å; V472-G507 WeakPolarHBondContact CG2-O 2.91Å; V472-G507 PolarHBondContact N-O 2.79Å; D503-G507 PolarHBondContact O-N 3.47Å | ||
| 508 | L | 98 | Very high | 94.9 | Very high | 56 Ų | 56 | 48 Ų | 48 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.2 | 177.7 | -178.9 | 65.3 | 0 | 0 | 0 | 110.4 | R471 I502 D503 T506 T510 | R471-L508 HydrophobicContact CB-CD1 4.24Å; I502-L508 WeakPolarHBondContact CA-O 3.3Å; D503-L508 HydrophobicContact CB-CB 4.46Å; D503-L508 PolarHBondContact N-O 2.83Å; T506-L508 PolarHBondContact O-N 3.29Å; T506-L508 PolarHBondContact OG1-N 3.13Å; L508-T510 HydrophobicContact CD2-CG2 4.18Å; L508-T510 HydrophobicContact CG-CG2 4.1Å |
| 509 | I | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130 | 175.5 | -60.6 | 170.6 | 0 | 0 | 0 | 109.1 | V469 V470 V472 F500 K501 I502 I527 L544 | V469-I509 PolarHBondContact N-O 3.04Å; V470-I509 HydrophobicContact CG1-CB 4.18Å; V470-I509 HydrophobicContact CG1-CD1 4.07Å; V470-I509 WeakPolarHBondContact O-CB 3.1Å; V470-I509 PolarHBondContact O-N 3.13Å; V472-I509 HydrophobicContact CG1-CD1 3.97Å; F500-I509 HydrophobicContact CB-CG2 4.05Å; F500-I509 HydrophobicContact CD1-CG2 4.31Å; K501-I509 WeakPolarHBondContact O-CA 3.44Å; I502-I509 HydrophobicContact CB-CG1 3.99Å; I502-I509 HydrophobicContact CD1-CD1 4.02Å; I502-I509 HydrophobicContact CD1-CG1 3.76Å; I502-I509 HydrophobicContact CG1-CG1 3.73Å; I509-I527 HydrophobicContact CD1-CG2 3.85Å; I509-L544 HydrophobicContact CD1-CD2 3.41Å; I509-L544 VanDerWaalsContact CD1-CD2 3.41Å; I509-L544 HydrophobicContact CG2-CD2 4.21Å |
| 510 | T | 97.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.3 | -177.8 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | T467 F500 K501 L508 | T467-T510 CarbonylContact O-C 3.54Å; T467-T510 WeakPolarHBondContact O-CA 3.41Å; T467-T510 WeakPolarHBondContact O-CB 3.22Å; F500-T510 CarbonylContact C-O 3.5Å; F500-T510 WeakPolarHBondContact CA-O 3.39Å; K501-T510 WeakPolarHBondContact CE-OG1 3.27Å; K501-T510 WeakPolarHBondContact CG-OG1 3.21Å; K501-T510 PolarHBondContact N-O 3.42Å; K501-T510 PolarHBondContact O-N 3.09Å; L508-T510 HydrophobicContact CD2-CG2 4.18Å; L508-T510 HydrophobicContact CG-CG2 4.1Å |
| 511 | T | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 133.5 | 170.2 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | V459 P464 P465 G466 T467 V469 W499 F500 V515 | V459-T511 HydrophobicContact CG2-CG2 4.05Å; P464-T511 PolarHBondContact O-OG1 3.09Å; P465-T511 WeakPolarHBondContact CA-OG1 3.49Å; G466-T511 WeakPolarHBondContact CA-O 3.42Å; G466-T511 PolarHBondContact N-O 3.35Å; G466-T511 PolarHBondContact N-OG1 3.2Å; G466-T511 VanDerWaalsContact N-OG1 3.13Å; T467-T511 PolarHBondContact N-OG1 3.29Å; T467-T511 PolarHBondContact O-N 2.85Å; V469-T511 HydrophobicContact CG2-CG2 3.99Å; W499-T511 CarbonylContact O-C 3.54Å; W499-T511 WeakPolarHBondContact O-CA 3.39Å; F500-T511 HydrophobicContact CE1-CG2 4.37Å; T511-V515 HydrophobicContact CG2-CG1 4.44Å |
| 512 | A | 95.4 | Very high | 94 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | trans | -101.2 | -30.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W499 K501 | W499-A512 PolarHBondContact O-N 3.48Å; K501-A512 HydrophobicContact CB-CB 4.08Å; K501-A512 HydrophobicContact CD-CB 4.29Å; K501-A512 HydrophobicContact CG-CB 4.14Å | ||
| 513 | D | 94.3 | Very high | 93.8 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -136.3 | -179.4 | 179.1 | -151.5 | -17.2 | 0 | 0 | 0 | 110.3 | V515 | D513-V515 PolarHBondContact O-N 3.27Š|
| 514 | V | 92.7 | Very high | 93.6 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | trans | -68.2 | 123.1 | 170.4 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 515 | V | 93.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | trans | -86.9 | 143.2 | 173.4 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | W499 F500 T511 D513 I548 | W499-V515 HydrophobicContact CB-CG1 3.81Å; W499-V515 HydrophobicContact CD2-CG1 4.03Å; W499-V515 HydrophobicContact CE3-CB 4.25Å; W499-V515 HydrophobicContact CE3-CG1 3.82Å; W499-V515 HydrophobicContact CG-CG1 4.08Å; F500-V515 HydrophobicContact CE1-CG1 4.45Å; F500-V515 HydrophobicContact CZ-CG1 4.12Å; T511-V515 HydrophobicContact CG2-CG1 4.44Å; D513-V515 PolarHBondContact O-N 3.27Å; V515-I548 HydrophobicContact CB-CD1 4.24Å; V515-I548 HydrophobicContact CG1-CD1 4.23Å | ||
| 516 | D | 90.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | trans | -134 | 118.3 | -173.6 | 176.5 | -33.7 | 0 | 0 | 0 | 109.1 | W499 E518 L519 S520 | W499-D516 HydrophobicContact CH2-CB 4.38Å; W499-D516 WeakPolarHBondContact CH2-O 3.35Å; W499-D516 HydrophobicContact CZ2-CB 4.29Å; D516-E518 WeakPolarHBondContact OD1-CA 3.47Å; D516-E518 WeakPolarHBondContact OD1-CB 3.44Å; D516-E518 PolarHBondContact OD1-N 3.41Å; D516-L519 HydrophobicContact CB-CB 4.14Å; D516-L519 HydrophobicContact CB-CD1 3.98Å; D516-L519 HydrophobicContact CB-CG 4.11Å; D516-L519 PolarHBondContact O-N 2.9Å; D516-L519 PolarHBondContact OD1-N 2.84Å; D516-S520 PolarHBondContact O-N 3.49Å; D516-S520 VanDerWaalsContact O-N 3.13Å | ||
| 517 | C | 89.8 | Confident | 93.5 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.7 | -175.7 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | E461 L519 S520 F521 I548 D550 | E461-C517 WeakPolarHBondContact OE2-CB 3.47Å; E461-C517 PolarHBondContact OE2-N 2.74Å; C517-L519 VanDerWaalsContact C-N 3.32Å; C517-S520 CarbonylContact O-C 3.55Å; C517-S520 PolarHBondContact O-N 3.02Å; C517-F521 PolarHBondContact O-N 3.48Å; C517-I548 HydrophobicContact CB-CB 4.46Å; C517-I548 HydrophobicContact CB-CG2 3.96Å; C517-D550 HydrophobicContact CB-CB 4.36Å |
| 518 | E | 86.8 | Confident | 93.5 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -30.7 | 176.9 | -72.9 | 69 | -147 | 0 | 0 | 112.5 | D516 N554 F585 | D516-E518 WeakPolarHBondContact OD1-CA 3.47Å; D516-E518 WeakPolarHBondContact OD1-CB 3.44Å; D516-E518 PolarHBondContact OD1-N 3.41Å; E518-N554 WeakPolarHBondContact CG-ND2 3.44Å; E518-N554 PolarHBondContact OE1-ND2 3.13Å; E518-N554 PolarHBondContact OE2-ND2 2.88Å; E518-N554 VanDerWaalsContact OE2-ND2 3.13Å; E518-F585 HydrophobicContact CG-CB 4.32Å |
| 519 | L | 89 | Confident | 93.5 | Very high | 100 Ų | 100 | 40.1 Ų | 40.1 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -47.3 | 172.2 | -71.2 | -179.3 | 0 | 0 | 0 | 111.9 | Y496 W499 D516 C517 | Y496-L519 HydrophobicContact CE1-CB 4.12Å; Y496-L519 PolarHBondContact OH-O 3.35Å; Y496-L519 VanDerWaalsContact OH-O 3.13Å; W499-L519 HydrophobicContact CH2-CB 3.84Å; W499-L519 HydrophobicContact CZ2-CB 3.93Å; W499-L519 HydrophobicContact CZ2-CD1 4.06Å; D516-L519 HydrophobicContact CB-CB 4.14Å; D516-L519 HydrophobicContact CB-CD1 3.98Å; D516-L519 HydrophobicContact CB-CG 4.11Å; D516-L519 PolarHBondContact O-N 2.9Å; D516-L519 PolarHBondContact OD1-N 2.84Å; C517-L519 VanDerWaalsContact C-N 3.32Å |
| 520 | S | 89.6 | Confident | 93.5 | Very high | 21 Ų | 21 | 44 Ų | 44 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | trans | -159.3 | 109.9 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 112.9 | Y496 D516 C517 N522 P523 I548 | Y496-S520 VanDerWaalsContact CE2-CB 3.49Å; D516-S520 PolarHBondContact O-N 3.49Å; D516-S520 VanDerWaalsContact O-N 3.13Å; C517-S520 CarbonylContact O-C 3.55Å; C517-S520 PolarHBondContact O-N 3.02Å; S520-N522 PolarHBondContact O-N 3.29Å; S520-P523 WeakPolarHBondContact O-CD 3.32Å; S520-I548 VanDerWaalsContact O-CG1 3.3Å; S520-I548 WeakPolarHBondContact O-CG1 3.11Å | ||
| 521 | F | 90.4 | Very high | 93.5 | Very high | 123 Ų | 123 | 43.2 Ų | 43.2 | 54% | 0.539 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.3 | -19.2 | -179.5 | 79.8 | -87.4 | 0 | 0 | 0 | 114.5 | C517 I548 L587 | C517-F521 PolarHBondContact O-N 3.48Å; F521-I548 PolarHBondContact O-N 2.9Å; F521-L587 HydrophobicContact CB-CD1 3.54Å; F521-L587 HydrophobicContact CD1-CD1 4.34Å; F521-L587 HydrophobicContact CG-CD1 4.16Å |
| 522 | N | 91.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 45.9 Ų | 45.9 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -148.4 | 65.9 | -178.4 | -170.6 | 21.9 | 0 | 0 | 0 | 112.2 | S520 K524 S545 V546 | S520-N522 PolarHBondContact O-N 3.29Å; N522-K524 PolarHBondContact O-N 3.45Å; N522-S545 PolarHBondContact ND2-OG 3.23Å; N522-S545 PolarHBondContact OD1-OG 3.48Å; N522-V546 WeakPolarHBondContact CA-O 3.42Å; N522-V546 PolarHBondContact OD1-O 3.07Å |
| 523 | P | 92.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | trans | -56.2 | 136.1 | 172.8 | 24.1 | -35.8 | 0 | 0 | 0 | 111.5 | S495 W499 F500 S520 V546 I548 | S495-P523 WeakPolarHBondContact O-CB 3.17Å; W499-P523 HydrophobicContact CE3-CG 4.34Å; W499-P523 HydrophobicContact CZ3-CG 4.35Å; F500-P523 HydrophobicContact CE2-CB 4.45Å; F500-P523 HydrophobicContact CE2-CG 4Å; F500-P523 HydrophobicContact CZ-CG 4.29Å; S520-P523 WeakPolarHBondContact O-CD 3.32Å; P523-V546 WeakPolarHBondContact CD-O 3.44Å; P523-V546 HydrophobicContact CG-CB 4.29Å; P523-V546 PolarHBondContact O-N 2.83Å; P523-I548 HydrophobicContact CG-CD1 4.13Å; P523-I548 HydrophobicContact CG-CG1 4.22Å | ||
| 524 | K | 93.3 | Very high | 92.7 | Very high | 119 Ų | 119 | 47 Ų | 47 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125.6 | 178.3 | -71.6 | -178.3 | -178.2 | 179.7 | 0 | 109.1 | S495 N522 L544 S545 | S495-K524 WeakPolarHBondContact CB-O 3.48Å; N522-K524 PolarHBondContact O-N 3.45Å; K524-L544 VanDerWaalsContact CA-O 3.27Å; K524-L544 WeakPolarHBondContact CA-O 2.93Å; K524-S545 WeakPolarHBondContact CE-OG 3.47Å; K524-S545 WeakPolarHBondContact CG-OG 3.44Å |
| 525 | F | 93.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 165 | -179.2 | 48.4 | -91.4 | 0 | 0 | 0 | 110.8 | L489 D497 F500 L544 V546 | L489-F525 HydrophobicContact CD2-CD2 3.68Å; L489-F525 HydrophobicContact CD2-CE2 3.51Å; D497-F525 HydrophobicContact CB-CB 3.98Å; D497-F525 HydrophobicContact CB-CD1 4.34Å; D497-F525 HydrophobicContact CB-CD2 4.41Å; D497-F525 HydrophobicContact CB-CG 4.01Å; F500-F525 HydrophobicContact CB-CZ 4Å; F500-F525 HydrophobicContact CD2-CD1 4.43Å; F500-F525 AromaticContact CD2-CE1 3.35Å; F500-F525 HydrophobicContact CD2-CE1 3.35Å; F500-F525 AromaticContact CD2-CZ 3.44Å; F500-F525 HydrophobicContact CD2-CZ 3.44Å; F500-F525 VanDerWaalsContact CD2-CZ 3.44Å; F500-F525 AromaticContact CE2-CE1 3.61Å; F500-F525 HydrophobicContact CE2-CE1 3.61Å; F500-F525 HydrophobicContact CE2-CZ 4.03Å; F500-F525 HydrophobicContact CG-CE1 4.13Å; F500-F525 AromaticContact CG-CZ 3.73Å; F500-F525 HydrophobicContact CG-CZ 3.73Å; F525-L544 HydrophobicContact CD2-CB 4.39Å; F525-L544 HydrophobicContact CE2-CB 4.09Å; F525-L544 HydrophobicContact CE2-CD2 3.61Å; F525-L544 HydrophobicContact CE2-CG 4.14Å; F525-L544 HydrophobicContact CZ-CB 4.43Å; F525-L544 HydrophobicContact CZ-CD2 3.58Å; F525-L544 HydrophobicContact CZ-CG 4.05Å; F525-L544 PolarHBondContact N-O 2.9Å; F525-L544 VanDerWaalsContact N-O 3.09Å; F525-L544 PolarHBondContact O-N 3.46Å; F525-V546 HydrophobicContact CE1-CG2 4.17Å; F525-V546 HydrophobicContact CZ-CG2 4.14Å |
| 526 | I | 96.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 21% | 0.21 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.2 | -176.2 | -59 | 177.5 | 0 | 0 | 0 | 109.6 | V490 E492 N541 A542 | V490-I526 HydrophobicContact CB-CB 4.05Å; V490-I526 HydrophobicContact CB-CG2 4.45Å; V490-I526 HydrophobicContact CG2-CB 3.96Å; V490-I526 HydrophobicContact CG2-CG2 3.8Å; V490-I526 PolarHBondContact N-O 3.44Å; E492-I526 WeakPolarHBondContact OE1-CD1 3.49Å; I526-N541 HydrophobicContact CG2-CB 3.73Å; I526-A542 WeakPolarHBondContact CA-O 3.42Å |
| 527 | I | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.8 | 167.5 | 53 | 173.4 | 0 | 0 | 0 | 108.8 | F450 Y455 V472 G488 L489 I509 N541 A542 L544 | F450-I527 HydrophobicContact CD1-CD1 4.27Å; F450-I527 HydrophobicContact CE1-CD1 3.78Å; F450-I527 HydrophobicContact CE1-CG1 4.27Å; F450-I527 HydrophobicContact CE2-CG1 4.45Å; F450-I527 HydrophobicContact CZ-CB 4.36Å; F450-I527 HydrophobicContact CZ-CD1 4Å; F450-I527 HydrophobicContact CZ-CG1 3.98Å; Y455-I527 HydrophobicContact CD2-CD1 3.78Å; Y455-I527 HydrophobicContact CE2-CD1 4.04Å; V472-I527 HydrophobicContact CB-CD1 3.9Å; V472-I527 HydrophobicContact CG1-CD1 3.46Å; V472-I527 VanDerWaalsContact CG1-CD1 3.46Å; V472-I527 HydrophobicContact CG2-CD1 4.18Å; G488-I527 WeakPolarHBondContact O-CA 3.34Å; L489-I527 HydrophobicContact CD2-CG2 3.66Å; I509-I527 HydrophobicContact CD1-CG2 3.85Å; I527-N541 WeakPolarHBondContact O-CA 3.45Å; I527-A542 HydrophobicContact CD1-CB 3.87Å; I527-A542 HydrophobicContact CG1-CB 3.79Å; I527-A542 WeakPolarHBondContact CG1-O 3.31Å; I527-A542 PolarHBondContact N-O 2.76Å; I527-A542 PolarHBondContact O-N 3.4Å; I527-L544 HydrophobicContact CG2-CB 4.29Å |
| 528 | T | 97.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.4 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | Y487 G488 V490 A540 N541 | Y487-T528 WeakPolarHBondContact CA-O 3.15Å; G488-T528 VanDerWaalsContact CA-OG1 3.27Å; G488-T528 WeakPolarHBondContact CA-OG1 3.35Å; G488-T528 PolarHBondContact N-O 2.81Å; G488-T528 PolarHBondContact N-OG1 3.33Å; G488-T528 PolarHBondContact O-N 2.97Å; G488-T528 PolarHBondContact O-OG1 2.79Å; V490-T528 HydrophobicContact CG2-CG2 3.32Å; T528-A540 WeakPolarHBondContact CA-O 3.42Å; T528-N541 WeakPolarHBondContact CG2-OD1 3.48Å |
| 529 | A | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | P448 F450 A474 V485 R486 Y487 S539 A540 | P448-A529 HydrophobicContact CB-CB 3.92Å; F450-A529 HydrophobicContact CD2-CB 4.33Å; F450-A529 HydrophobicContact CE1-CB 4.11Å; F450-A529 HydrophobicContact CE2-CB 3.6Å; F450-A529 HydrophobicContact CZ-CB 3.48Å; F450-A529 VanDerWaalsContact CZ-CB 3.48Å; A474-A529 HydrophobicContact CB-CB 3.56Å; V485-A529 HydrophobicContact CG1-CB 3.83Å; R486-A529 WeakPolarHBondContact O-CA 3.49Å; Y487-A529 HydrophobicContact CD1-CB 4.32Å; Y487-A529 HydrophobicContact CE1-CB 4.36Å; A529-S539 CarbonylContact O-C 3.49Å; A529-S539 WeakPolarHBondContact O-CA 3.33Å; A529-S539 WeakPolarHBondContact O-CB 3.44Å; A529-A540 PolarHBondContact N-O 3.09Å; A529-A540 PolarHBondContact O-N 2.69Å |
| 530 | E | 97.3 | Very high | 93.6 | Very high | 83 Ų | 83 | 55.1 Ų | 55.1 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.3 | -177.5 | -172.7 | -176 | -179.9 | 0 | 0 | 107.9 | V485 R486 A537 L538 | V485-E530 CarbonylContact C-O 3.53Å; R486-E530 PolarHBondContact N-O 2.8Å; R486-E530 PolarHBondContact O-N 3.46Å; E530-A537 HydrophobicContact CG-CB 3.92Å; E530-L538 WeakPolarHBondContact CA-O 3.16Å |
| 531 | D | 97.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | trans | -76.9 | -173.2 | 172.8 | 64.3 | 39.3 | 0 | 0 | 0 | 112.2 | N444 P448 N482 Q484 G533 A537 L538 | N444-D531 PolarHBondContact ND2-OD1 2.81Å; N444-D531 PolarHBondContact ND2-OD2 2.89Å; N444-D531 PolarHBondContact OD1-OD2 2.88Å; P448-D531 HydrophobicContact CG-CB 4.09Å; N482-D531 WeakPolarHBondContact O-CB 3.48Å; Q484-D531 CarbonylContact O-C 3.56Å; Q484-D531 WeakPolarHBondContact O-CA 3.44Å; D531-G533 WeakPolarHBondContact OD1-CA 3.48Å; D531-G533 PolarHBondContact OD1-N 3.45Å; D531-A537 WeakPolarHBondContact OD1-CA 3.26Å; D531-A537 VanDerWaalsContact OD1-CB 3.24Å; D531-A537 WeakPolarHBondContact OD1-CB 3.37Å; D531-L538 VanDerWaalsContact CG-N 3.3Å; D531-L538 PolarHBondContact N-O 3.49Å; D531-L538 PolarHBondContact OD1-N 3.19Å; D531-L538 VanDerWaalsContact OD1-N 3.12Å; D531-L538 WeakPolarHBondContact OD2-CA 3.3Å; D531-L538 WeakPolarHBondContact OD2-CB 3.44Å; D531-L538 PolarHBondContact OD2-N 2.87Å | ||
| 532 | H | 94.7 | Very high | 94.2 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | trans | -111.8 | 31.2 | 171.5 | -74.8 | -72.6 | 0 | 0 | 0 | 112.3 | R481 Q484 | R481-H532 HydrophobicContact CB-CB 4.03Å; R481-H532 CarbonylContact O-C 3.59Å; R481-H532 WeakPolarHBondContact O-CA 3.46Å; R481-H532 WeakPolarHBondContact O-CB 3.18Å; R481-H532 PolarHBondContact O-N 3.08Å; R481-H532 VanDerWaalsContact O-N 3.08Å; Q484-H532 PolarHBondContact O-CD2 3.44Å; Q484-H532 PolarHBondContact O-N 2.77Å | ||
| 533 | G | 90.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | trans | -62 | 144.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D531 | D531-G533 WeakPolarHBondContact OD1-CA 3.48Å; D531-G533 PolarHBondContact OD1-N 3.45Å | ||
| 534 | E | 84.9 | Confident | 94.6 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -129.1 | 133.9 | 172.5 | -71.6 | 176.8 | -159.3 | 0 | 0 | 108.3 | R481 | R481-E534 IonicContact CZ-OE1 2.68Å; R481-E534 IonicContact NH1-OE1 3.37Å; R481-E534 PolarHBondContact NH1-OE1 2.97Å; R481-E534 IonicContact NH2-OE1 2.61Å |
| 535 | P | 85.8 | Confident | 94.7 | Very high | 137 Ų | 137 | 48.4 Ų | 48.4 | 89% | 0.89 | 27% | 0.273 | S | S | * | . | S | Bend | cis | -83 | -18.2 | 7.6 | 33.3 | -35.7 | 0 | 0 | 0 | 114.9 | ||
| 536 | E | 90 | Very high | 94.8 | Very high | 154 Ų | 154 | 48.3 Ų | 48.3 | 72% | 0.72 | 27% | 0.272 | S | S | * | . | trans | -118 | 126.2 | -178.7 | -67.4 | -175 | 179 | 0 | 0 | 109.8 | N444 | N444-E536 PolarHBondContact ND2-O 2.91Š| ||
| 537 | A | 95 | Very high | 94.8 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | trans | -87.3 | 136.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | E530 D531 | E530-A537 HydrophobicContact CG-CB 3.92Å; D531-A537 WeakPolarHBondContact OD1-CA 3.26Å; D531-A537 VanDerWaalsContact OD1-CB 3.24Å; D531-A537 WeakPolarHBondContact OD1-CB 3.37Å | ||
| 538 | L | 97 | Very high | 94.6 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | trans | -93.8 | 147.1 | 174.9 | -56.3 | 174.9 | 0 | 0 | 0 | 109.6 | N446 A447 P448 E530 D531 | N446-L538 WeakPolarHBondContact O-CD1 3.41Å; A447-L538 HydrophobicContact CB-CB 3.79Å; A447-L538 HydrophobicContact CB-CD1 4.47Å; P448-L538 WeakPolarHBondContact CD-O 3.1Å; E530-L538 WeakPolarHBondContact CA-O 3.16Å; D531-L538 VanDerWaalsContact CG-N 3.3Å; D531-L538 PolarHBondContact N-O 3.49Å; D531-L538 PolarHBondContact OD1-N 3.19Å; D531-L538 VanDerWaalsContact OD1-N 3.12Å; D531-L538 WeakPolarHBondContact OD2-CA 3.3Å; D531-L538 WeakPolarHBondContact OD2-CB 3.44Å; D531-L538 PolarHBondContact OD2-N 2.87Å | ||
| 539 | S | 96.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.9 | -177.5 | 62.4 | 0 | 0 | 0 | 0 | 112.8 | A529 | A529-S539 CarbonylContact O-C 3.49Å; A529-S539 WeakPolarHBondContact O-CA 3.33Å; A529-S539 WeakPolarHBondContact O-CB 3.44Å |
| 540 | A | 97.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 53 Ų | 53 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 157.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P448 F450 T528 A529 | P448-A540 WeakPolarHBondContact O-CB 3.09Å; F450-A540 WeakPolarHBondContact CE2-O 3.41Å; T528-A540 WeakPolarHBondContact CA-O 3.42Å; A529-A540 PolarHBondContact N-O 3.09Å; A529-A540 PolarHBondContact O-N 2.69Å |
| 541 | N | 97.1 | Very high | 93.3 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.3 | -177.3 | -67.6 | -14.7 | 0 | 0 | 0 | 110.8 | I526 I527 T528 | I526-N541 HydrophobicContact CG2-CB 3.73Å; I527-N541 WeakPolarHBondContact O-CA 3.45Å; T528-N541 WeakPolarHBondContact CG2-OD1 3.48Å |
| 542 | A | 96.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 162.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | F450 Y455 I526 I527 | F450-A542 HydrophobicContact CB-CB 4.08Å; F450-A542 HydrophobicContact CD1-CB 4.31Å; F450-A542 HydrophobicContact CD2-CB 3.56Å; F450-A542 HydrophobicContact CE2-CB 3.98Å; F450-A542 HydrophobicContact CG-CB 3.73Å; Y455-A542 HydrophobicContact CD2-CB 4.39Å; Y455-A542 HydrophobicContact CE2-CB 4.3Å; I526-A542 WeakPolarHBondContact CA-O 3.42Å; I527-A542 HydrophobicContact CD1-CB 3.87Å; I527-A542 HydrophobicContact CG1-CB 3.79Å; I527-A542 WeakPolarHBondContact CG1-O 3.31Å; I527-A542 PolarHBondContact N-O 2.76Å; I527-A542 PolarHBondContact O-N 3.4Å |
| 543 | T | 96.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136 | 178.9 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | S453 L454 Y455 | S453-T543 PolarHBondContact O-N 3.19Å; L454-T543 CarbonylContact C-O 3.24Å; L454-T543 WeakPolarHBondContact CA-O 3.34Å; L454-T543 HydrophobicContact CD1-CG2 3.99Å; Y455-T543 PolarHBondContact N-O 3.12Å |
| 544 | L | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.5 | 166.7 | 176 | 57.7 | 0 | 0 | 0 | 109.7 | Y455 A457 V470 I509 K524 F525 I527 V546 | Y455-L544 WeakPolarHBondContact O-CA 3.42Å; Y455-L544 WeakPolarHBondContact O-CD1 3.44Å; A457-L544 HydrophobicContact CB-CD1 4.42Å; V470-L544 HydrophobicContact CG1-CD1 3.83Å; V470-L544 HydrophobicContact CG1-CD2 3.92Å; I509-L544 HydrophobicContact CD1-CD2 3.41Å; I509-L544 VanDerWaalsContact CD1-CD2 3.41Å; I509-L544 HydrophobicContact CG2-CD2 4.21Å; K524-L544 VanDerWaalsContact CA-O 3.27Å; K524-L544 WeakPolarHBondContact CA-O 2.93Å; F525-L544 HydrophobicContact CD2-CB 4.39Å; F525-L544 HydrophobicContact CE2-CB 4.09Å; F525-L544 HydrophobicContact CE2-CD2 3.61Å; F525-L544 HydrophobicContact CE2-CG 4.14Å; F525-L544 HydrophobicContact CZ-CB 4.43Å; F525-L544 HydrophobicContact CZ-CD2 3.58Å; F525-L544 HydrophobicContact CZ-CG 4.05Å; F525-L544 PolarHBondContact N-O 2.9Å; F525-L544 VanDerWaalsContact N-O 3.09Å; F525-L544 PolarHBondContact O-N 3.46Å; I527-L544 HydrophobicContact CG2-CB 4.29Å; L544-V546 HydrophobicContact CD1-CG2 4.09Å; L544-V546 HydrophobicContact CD2-CG2 3.88Å; L544-V546 HydrophobicContact CG-CG2 3.73Å |
| 545 | S | 95.6 | Very high | 91 | Very high | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.2 | 170.9 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | Y455 T456 A457 N522 K524 | Y455-S545 PolarHBondContact O-N 3.25Å; T456-S545 VanDerWaalsContact CA-O 3.32Å; T456-S545 WeakPolarHBondContact CA-O 3.49Å; A457-S545 PolarHBondContact N-O 2.82Å; N522-S545 PolarHBondContact ND2-OG 3.23Å; N522-S545 PolarHBondContact OD1-OG 3.48Å; K524-S545 WeakPolarHBondContact CE-OG 3.47Å; K524-S545 WeakPolarHBondContact CG-OG 3.44Å |
| 546 | V | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.8 | 179.3 | -169.7 | 0 | 0 | 0 | 0 | 109 | A457 V459 V469 F500 N522 P523 F525 L544 I548 | A457-V546 HydrophobicContact CB-CG1 4.47Å; A457-V546 WeakPolarHBondContact O-CA 3.14Å; V459-V546 HydrophobicContact CB-CG1 4.46Å; V459-V546 HydrophobicContact CG1-CG1 3.73Å; V469-V546 HydrophobicContact CG1-CG1 3.92Å; V469-V546 HydrophobicContact CG1-CG2 4.28Å; F500-V546 HydrophobicContact CE1-CB 4.38Å; F500-V546 HydrophobicContact CE1-CG1 4Å; F500-V546 HydrophobicContact CE1-CG2 4.13Å; F500-V546 HydrophobicContact CE2-CG2 4.38Å; F500-V546 HydrophobicContact CZ-CB 3.91Å; F500-V546 HydrophobicContact CZ-CG1 3.84Å; F500-V546 HydrophobicContact CZ-CG2 3.94Å; N522-V546 WeakPolarHBondContact CA-O 3.42Å; N522-V546 PolarHBondContact OD1-O 3.07Å; P523-V546 WeakPolarHBondContact CD-O 3.44Å; P523-V546 HydrophobicContact CG-CB 4.29Å; P523-V546 PolarHBondContact O-N 2.83Å; F525-V546 HydrophobicContact CE1-CG2 4.17Å; F525-V546 HydrophobicContact CZ-CG2 4.14Å; L544-V546 HydrophobicContact CD1-CG2 4.09Å; L544-V546 HydrophobicContact CD2-CG2 3.88Å; L544-V546 HydrophobicContact CG-CG2 3.73Å; V546-I548 HydrophobicContact CG1-CD1 4.11Å; V546-I548 PolarHBondContact O-N 3.32Å |
| 547 | S | 94.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.8 | 172.8 | 174 | 0 | 0 | 0 | 0 | 109.4 | A457 Q458 V459 | A457-S547 PolarHBondContact O-N 2.99Å; Q458-S547 VanDerWaalsContact CA-O 3.31Å; Q458-S547 WeakPolarHBondContact CA-O 3.05Å; V459-S547 PolarHBondContact N-O 3.13Å; V459-S547 VanDerWaalsContact N-O 3.12Å |
| 548 | I | 93.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 126.2 | 173.6 | -47.9 | -54 | 0 | 0 | 0 | 108 | V459 E461 W499 F500 V515 C517 S520 F521 P523 V546 D550 | V459-I548 HydrophobicContact CG1-CD1 3.45Å; V459-I548 VanDerWaalsContact CG1-CD1 3.45Å; V459-I548 CarbonylContact O-C 3.52Å; V459-I548 WeakPolarHBondContact O-CA 3.44Å; E461-I548 HydrophobicContact CB-CG2 3.77Å; W499-I548 HydrophobicContact CZ3-CG1 4.5Å; F500-I548 HydrophobicContact CZ-CD1 4.21Å; V515-I548 HydrophobicContact CB-CD1 4.24Å; V515-I548 HydrophobicContact CG1-CD1 4.23Å; C517-I548 HydrophobicContact CB-CB 4.46Å; C517-I548 HydrophobicContact CB-CG2 3.96Å; S520-I548 VanDerWaalsContact O-CG1 3.3Å; S520-I548 WeakPolarHBondContact O-CG1 3.11Å; F521-I548 PolarHBondContact O-N 2.9Å; P523-I548 HydrophobicContact CG-CD1 4.13Å; P523-I548 HydrophobicContact CG-CG1 4.22Å; V546-I548 HydrophobicContact CG1-CD1 4.11Å; V546-I548 PolarHBondContact O-N 3.32Å; I548-D550 PolarHBondContact O-N 2.87Å |
| 549 | L | 91.8 | Very high | 88.6 | Confident | 76 Ų | 76 | 57.5 Ų | 57.5 | 40% | 0.398 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.4 | 177 | -55.4 | 173.6 | 0 | 0 | 0 | 108.8 | Q458 V459 E461 | Q458-L549 HydrophobicContact CB-CD1 4.47Å; Q458-L549 HydrophobicContact CG-CD2 4.4Å; V459-L549 PolarHBondContact O-N 3Å; E461-L549 PolarHBondContact N-O 2.94Å |
| 550 | D | 86.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | trans | -51.1 | 133.7 | 172.4 | -172.2 | -13.9 | 0 | 0 | 0 | 111.1 | C517 I548 L587 | C517-D550 HydrophobicContact CB-CB 4.36Å; I548-D550 PolarHBondContact O-N 2.87Å; D550-L587 PolarHBondContact OD2-N 3.27Å | ||
| 551 | V | 85.7 | Confident | 87.1 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | trans | -127.6 | 136.4 | 171.1 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | E461 K462 D553 | E461-V551 HydrophobicContact CG-CB 4.11Å; E461-V551 HydrophobicContact CG-CG2 3.99Å; E461-V551 VanDerWaalsContact OE1-C 3.28Å; E461-V551 WeakPolarHBondContact OE1-CA 3.31Å; E461-V551 WeakPolarHBondContact OE1-CB 3.44Å; E461-V551 PolarHBondContact OE1-N 2.94Å; K462-V551 HydrophobicContact CD-CB 4.16Å; K462-V551 HydrophobicContact CD-CG1 3.72Å; K462-V551 HydrophobicContact CD-CG2 4.22Å; K462-V551 HydrophobicContact CG-CB 4.21Å; K462-V551 HydrophobicContact CG-CG1 4.33Å; K462-V551 HydrophobicContact CG-CG2 4.07Å; V551-D553 PolarHBondContact O-N 3.22Å | ||
| 552 | N | 82 | Confident | 86.4 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -65 | 92 | 177 | -179 | -3.3 | 0 | 0 | 0 | 112 | Q586 N590 | N552-Q586 PolarHBondContact OD1-NE2 2.72Å; N552-N590 PolarHBondContact ND2-ND2 3.11Å; N552-N590 VanDerWaalsContact ND2-ND2 3.15Å |
| 553 | D | 80.3 | Confident | 86 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | trans | -123.2 | -15.5 | 177.4 | 73.1 | -11.9 | 0 | 0 | 0 | 113.1 | V551 P555 | V551-D553 PolarHBondContact O-N 3.22Å; D553-P555 WeakPolarHBondContact O-CD 3.32Å | ||
| 554 | N | 77.9 | Confident | 85.6 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -90.6 | 107.8 | 174.2 | -73.2 | -54.6 | 0 | 0 | 0 | 112.3 | E518 Q586 | E518-N554 WeakPolarHBondContact CG-ND2 3.44Å; E518-N554 PolarHBondContact OE1-ND2 3.13Å; E518-N554 PolarHBondContact OE2-ND2 2.88Å; E518-N554 VanDerWaalsContact OE2-ND2 3.13Å; N554-Q586 PolarHBondContact O-NE2 3.24Å |
| 555 | P | 78.1 | Confident | 85.1 | Confident | 94 Ų | 94 | 79 Ų | 79 | 61% | 0.61 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 147.9 | 176.9 | 28.3 | -34.2 | 0 | 0 | 0 | 111.4 | D553 L557 | D553-P555 WeakPolarHBondContact O-CD 3.32Å; P555-L557 PolarHBondContact O-N 3.3Å |
| 556 | P | 80.4 | Confident | 84.7 | Confident | 75 Ų | 75 | 83.8 Ų | 83.8 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.3 | 177.8 | 25.8 | -33.4 | 0 | 0 | 0 | 110.9 | V582 | P556-V582 HydrophobicContact CB-CB 4.34Š|
| 557 | L | 76.6 | Confident | 84.4 | Confident | 109 Ų | 109 | 87.3 Ų | 87.3 | 57% | 0.571 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126 | 178.6 | -69.4 | 168.4 | 0 | 0 | 0 | 110 | P555 V582 C583 | P555-L557 PolarHBondContact O-N 3.3Å; L557-V582 CarbonylContact O-C 3.6Å; L557-V582 VanDerWaalsContact O-CA 3.31Å; L557-V582 WeakPolarHBondContact O-CA 3.32Å; L557-C583 PolarHBondContact N-O 3.36Å; L557-C583 PolarHBondContact O-N 2.72Å |
| 558 | F | 80.4 | Confident | 84.2 | Confident | 131 Ų | 131 | 88.7 Ų | 88.7 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 136.8 | 170.6 | -69.4 | -87.8 | 0 | 0 | 0 | 110.2 | K560 Y563 V580 V582 | F558-K560 WeakPolarHBondContact CB-O 3.13Å; F558-K560 PolarHBondContact O-N 3.48Å; F558-Y563 HydrophobicContact CB-CE2 4.3Å; F558-Y563 HydrophobicContact CD1-CE2 4.16Å; F558-V580 HydrophobicContact CD1-CG1 3.53Å; F558-V580 HydrophobicContact CE1-CG1 3.7Å; F558-V582 HydrophobicContact CD1-CG1 3.52Å; F558-V582 HydrophobicContact CE1-CG1 3.66Å; F558-V582 HydrophobicContact CG-CG1 4Å; F558-V582 HydrophobicContact CZ-CG1 4.24Å |
| 559 | N | 81.5 | Confident | 83.9 | Confident | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -69 | -14.1 | 179.4 | 75.5 | -5.7 | 0 | 0 | 0 | 113.7 | Y563 S581 | N559-Y563 PolarHBondContact N-OH 3.35Å; N559-Y563 WeakPolarHBondContact OD1-CE1 3.37Å; N559-Y563 PolarHBondContact OD1-OH 2.87Å; N559-S581 PolarHBondContact N-O 3.27Å; N559-S581 VanDerWaalsContact N-O 3.09Å; N559-S581 PolarHBondContact OD1-O 2.94Å |
| 560 | K | 79.3 | Confident | 84 | Confident | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 54% | 0.542 | S | S | . | . | trans | -135.7 | 143.9 | 171.3 | -60.5 | 179.1 | -178.4 | -179.4 | 0 | 109.9 | F558 Y563 | F558-K560 WeakPolarHBondContact CB-O 3.13Å; F558-K560 PolarHBondContact O-N 3.48Å; K560-Y563 HydrophobicContact CB-CD1 4.29Å; K560-Y563 HydrophobicContact CB-CD2 4.35Å; K560-Y563 HydrophobicContact CB-CE1 3.87Å; K560-Y563 HydrophobicContact CB-CE2 3.94Å; K560-Y563 HydrophobicContact CD-CD1 4.1Å; K560-Y563 HydrophobicContact CD-CE1 3.98Å; K560-Y563 HydrophobicContact CG-CE1 4.14Å; K560-Y563 PolarHBondContact N-OH 3.29Å; K560-Y563 WeakPolarHBondContact O-CE2 3.3Å | ||
| 561 | Q | 81 | Confident | 84.2 | Confident | 200 Ų | 200 | 100.4 Ų | 100.4 | 94% | 0.935 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -73.5 | -30.5 | 173.3 | -72.2 | -174.1 | -12.8 | 0 | 0 | 112.7 | ||
| 562 | I | 83.9 | Confident | 84.5 | Confident | 123 Ų | 123 | 103.1 Ų | 103.1 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | trans | -136 | 129.6 | -179 | -56.2 | 176.8 | 0 | 0 | 0 | 108.3 | N564 | I562-N564 VanDerWaalsContact CG2-OD1 3.3Å; I562-N564 WeakPolarHBondContact CG2-OD1 3.11Å | ||
| 563 | Y | 87.6 | Confident | 84.8 | Confident | 59 Ų | 59 | 107.7 Ų | 107.7 | 23% | 0.231 | 58% | 0.584 | C | S | . | * | trans | -111.8 | 101.6 | 172.1 | -60.4 | -101 | 0 | 0 | 0 | 108.6 | F558 N559 K560 V578 V580 S581 | F558-Y563 HydrophobicContact CB-CE2 4.3Å; F558-Y563 HydrophobicContact CD1-CE2 4.16Å; N559-Y563 PolarHBondContact N-OH 3.35Å; N559-Y563 WeakPolarHBondContact OD1-CE1 3.37Å; N559-Y563 PolarHBondContact OD1-OH 2.87Å; K560-Y563 HydrophobicContact CB-CD1 4.29Å; K560-Y563 HydrophobicContact CB-CD2 4.35Å; K560-Y563 HydrophobicContact CB-CE1 3.87Å; K560-Y563 HydrophobicContact CB-CE2 3.94Å; K560-Y563 HydrophobicContact CD-CD1 4.1Å; K560-Y563 HydrophobicContact CD-CE1 3.98Å; K560-Y563 HydrophobicContact CG-CE1 4.14Å; K560-Y563 PolarHBondContact N-OH 3.29Å; K560-Y563 WeakPolarHBondContact O-CE2 3.3Å; Y563-V578 HydrophobicContact CD1-CG2 4.24Å; Y563-V578 HydrophobicContact CG-CG2 4.44Å; Y563-V580 HydrophobicContact CD1-CG2 4.1Å; Y563-V580 HydrophobicContact CD2-CG2 4.44Å; Y563-V580 HydrophobicContact CE1-CB 4.34Å; Y563-V580 HydrophobicContact CE1-CG1 4.2Å; Y563-V580 HydrophobicContact CE1-CG2 4.09Å; Y563-V580 HydrophobicContact CE2-CG1 4.08Å; Y563-V580 HydrophobicContact CE2-CG2 4.44Å; Y563-V580 HydrophobicContact CG-CG2 4.27Å; Y563-S581 PolarHBondContact OH-O 3.3Å | ||
| 564 | N | 87.6 | Confident | 85.2 | Confident | 153 Ų | 153 | 107.4 Ų | 107.4 | 82% | 0.818 | 60% | 0.601 | S | S | * | * | trans | -88.1 | 129.8 | 172.5 | -69.2 | -20.1 | 0 | 0 | 0 | 109.2 | I562 | I562-N564 VanDerWaalsContact CG2-OD1 3.3Å; I562-N564 WeakPolarHBondContact CG2-OD1 3.11Å | ||
| 565 | A | 87 | Confident | 85.8 | Confident | 51 Ų | 51 | 110 Ų | 110 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | trans | -137.5 | 138.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F577 V578 | A565-F577 HydrophobicContact CB-CB 4.44Å; A565-F577 HydrophobicContact CB-CD2 3.83Å; A565-F577 WeakPolarHBondContact CB-O 3.1Å; A565-V578 HydrophobicContact CB-CB 4.07Å; A565-V578 HydrophobicContact CB-CG2 4.31Å | ||
| 566 | S | 86.5 | Confident | 86.3 | Confident | 112 Ų | 112 | 110 Ų | 110 | 78% | 0.783 | 61% | 0.609 | S | S | * | * | trans | -111.4 | 131.8 | 170.9 | 42.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 567 | V | 88.7 | Confident | 86.6 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | trans | -114.8 | 123.6 | -178.3 | -170.7 | 0 | 0 | 0 | 0 | 108.1 | A571 Y575 F577 | V567-A571 HydrophobicContact CG1-CB 3.66Å; V567-Y575 HydrophobicContact CG1-CD1 3.96Å; V567-Y575 HydrophobicContact CG1-CE1 4.21Å; V567-F577 HydrophobicContact CG2-CB 3.45Å; V567-F577 VanDerWaalsContact CG2-CB 3.45Å; V567-F577 HydrophobicContact CG2-CD1 4.2Å; V567-F577 HydrophobicContact CG2-CD2 4.15Å; V567-F577 HydrophobicContact CG2-CG 3.69Å | ||
| 568 | P | 90.3 | Very high | 87.2 | Confident | 66 Ų | 66 | 109.8 Ų | 109.8 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | trans | -59.4 | 144.1 | 171 | -22.3 | 33.7 | 0 | 0 | 0 | 111.1 | D570 A571 | P568-D570 WeakPolarHBondContact CB-OD1 3.33Å; P568-D570 PolarHBondContact O-N 3.45Å; P568-A571 VanDerWaalsContact O-CB 3.24Å; P568-A571 WeakPolarHBondContact O-CB 3.47Å; P568-A571 PolarHBondContact O-N 3.43Å; P568-A571 VanDerWaalsContact O-N 3.13Å | ||
| 569 | E | 89.4 | Confident | 87.4 | Confident | 203 Ų | 203 | 111.8 Ų | 111.8 | 95% | 0.949 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -19.5 | -179.7 | 65.3 | -179.7 | 176.3 | 0 | 0 | 113.4 | ||
| 570 | D | 93 | Very high | 87.6 | Confident | 139 Ų | 139 | 110.5 Ų | 110.5 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 11 | 176.7 | 66.1 | -27.1 | 0 | 0 | 0 | 113.6 | P568 | P568-D570 WeakPolarHBondContact CB-OD1 3.33Å; P568-D570 PolarHBondContact O-N 3.45Å |
| 571 | A | 90.1 | Very high | 87.7 | Confident | 34 Ų | 34 | 107.6 Ų | 107.6 | 28% | 0.281 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 130.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V567 P568 Y575 | V567-A571 HydrophobicContact CG1-CB 3.66Å; P568-A571 VanDerWaalsContact O-CB 3.24Å; P568-A571 WeakPolarHBondContact O-CB 3.47Å; P568-A571 PolarHBondContact O-N 3.43Å; P568-A571 VanDerWaalsContact O-N 3.13Å; A571-Y575 HydrophobicContact CB-CD1 4.09Å; A571-Y575 HydrophobicContact CB-CG 4.02Å |
| 572 | P | 92.4 | Very high | 87.6 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 160.2 | -179.5 | 29.9 | -35.1 | 0 | 0 | 0 | 112.3 | G574 Y575 | P572-G574 PolarHBondContact O-N 2.67Å; P572-Y575 WeakPolarHBondContact O-CB 3.24Å; P572-Y575 PolarHBondContact O-N 2.87Å; P572-Y575 VanDerWaalsContact O-N 3.11Å |
| 573 | I | 89.2 | Confident | 86.9 | Confident | 184 Ų | 184 | 99.3 Ų | 99.3 | 94% | 0.944 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 128.6 | 173.3 | -63.2 | 173.4 | 0 | 0 | 0 | 109.4 | ||
| 574 | G | 88.2 | Confident | 85.8 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 79% | 0.794 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.2 | 5.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P572 C576 | P572-G574 PolarHBondContact O-N 2.67Å; G574-C576 PolarHBondContact O-N 3.14Å; G574-C576 VanDerWaalsContact O-N 3.14Å |
| 575 | Y | 90.3 | Very high | 84.6 | Confident | 112 Ų | 112 | 99 Ų | 99 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | trans | -62.5 | 113.8 | 175.2 | -175.1 | -102.4 | 0 | 0 | 0 | 111.7 | V567 A571 P572 F577 | V567-Y575 HydrophobicContact CG1-CD1 3.96Å; V567-Y575 HydrophobicContact CG1-CE1 4.21Å; A571-Y575 HydrophobicContact CB-CD1 4.09Å; A571-Y575 HydrophobicContact CB-CG 4.02Å; P572-Y575 WeakPolarHBondContact O-CB 3.24Å; P572-Y575 PolarHBondContact O-N 2.87Å; P572-Y575 VanDerWaalsContact O-N 3.11Å; Y575-F577 HydrophobicContact CD1-CB 3.98Å; Y575-F577 HydrophobicContact CE1-CB 3.89Å; Y575-F577 PolarHBondContact O-N 3.15Å | ||
| 576 | C | 88.7 | Confident | 83.4 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 64% | 0.635 | 57% | 0.566 | S | S | * | * | trans | -78 | 107.6 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | G574 | G574-C576 PolarHBondContact O-N 3.14Å; G574-C576 VanDerWaalsContact O-N 3.14Å | ||
| 577 | F | 87.6 | Confident | 82 | Confident | 125 Ų | 125 | 98 Ų | 98 | 55% | 0.548 | 55% | 0.554 | S | S | . | * | trans | -98.9 | -19.9 | -178.2 | 57.9 | -90.3 | 0 | 0 | 0 | 113.6 | A565 V567 Y575 | A565-F577 HydrophobicContact CB-CB 4.44Å; A565-F577 HydrophobicContact CB-CD2 3.83Å; A565-F577 WeakPolarHBondContact CB-O 3.1Å; V567-F577 HydrophobicContact CG2-CB 3.45Å; V567-F577 VanDerWaalsContact CG2-CB 3.45Å; V567-F577 HydrophobicContact CG2-CD1 4.2Å; V567-F577 HydrophobicContact CG2-CD2 4.15Å; V567-F577 HydrophobicContact CG2-CG 3.69Å; Y575-F577 HydrophobicContact CD1-CB 3.98Å; Y575-F577 HydrophobicContact CE1-CB 3.89Å; Y575-F577 PolarHBondContact O-N 3.15Å | ||
| 578 | V | 87.7 | Confident | 80.3 | Confident | 54 Ų | 54 | 102 Ų | 102 | 33% | 0.327 | 57% | 0.565 | S | S | . | * | trans | -152.3 | 135.1 | 177.1 | 83.6 | 0 | 0 | 0 | 0 | 109.4 | Y563 A565 V580 | Y563-V578 HydrophobicContact CD1-CG2 4.24Å; Y563-V578 HydrophobicContact CG-CG2 4.44Å; A565-V578 HydrophobicContact CB-CB 4.07Å; A565-V578 HydrophobicContact CB-CG2 4.31Å; V578-V580 HydrophobicContact CG1-CG2 4.42Å | ||
| 579 | Q | 85.8 | Confident | 78.3 | Confident | 172 Ų | 172 | 104.9 Ų | 104.9 | 80% | 0.804 | 58% | 0.584 | S | S | * | * | trans | -114.7 | 126.5 | 169.3 | -174.5 | 175.9 | -5.2 | 0 | 0 | 108 | ||||
| 580 | V | 86.2 | Confident | 76.6 | Confident | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 57% | 0.565 | S | S | . | * | trans | -106.6 | 133.1 | -177.8 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | F558 Y563 V578 | F558-V580 HydrophobicContact CD1-CG1 3.53Å; F558-V580 HydrophobicContact CE1-CG1 3.7Å; Y563-V580 HydrophobicContact CD1-CG2 4.1Å; Y563-V580 HydrophobicContact CD2-CG2 4.44Å; Y563-V580 HydrophobicContact CE1-CB 4.34Å; Y563-V580 HydrophobicContact CE1-CG1 4.2Å; Y563-V580 HydrophobicContact CE1-CG2 4.09Å; Y563-V580 HydrophobicContact CE2-CG1 4.08Å; Y563-V580 HydrophobicContact CE2-CG2 4.44Å; Y563-V580 HydrophobicContact CG-CG2 4.27Å; V578-V580 HydrophobicContact CG1-CG2 4.42Å | ||
| 581 | S | 81.3 | Confident | 73.8 | Confident | 64 Ų | 64 | 105 Ų | 105 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | trans | -119.7 | 134.4 | 173.8 | -163.6 | 0 | 0 | 0 | 0 | 109.1 | N559 Y563 | N559-S581 PolarHBondContact N-O 3.27Å; N559-S581 VanDerWaalsContact N-O 3.09Å; N559-S581 PolarHBondContact OD1-O 2.94Å; Y563-S581 PolarHBondContact OH-O 3.3Å | ||
| 582 | V | 77.7 | Confident | 73 | Confident | 73 Ų | 73 | 108.5 Ų | 108.5 | 44% | 0.442 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 149.9 | 175.5 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | P556 L557 F558 | P556-V582 HydrophobicContact CB-CB 4.34Å; L557-V582 CarbonylContact O-C 3.6Å; L557-V582 VanDerWaalsContact O-CA 3.31Å; L557-V582 WeakPolarHBondContact O-CA 3.32Å; F558-V582 HydrophobicContact CD1-CG1 3.52Å; F558-V582 HydrophobicContact CE1-CG1 3.66Å; F558-V582 HydrophobicContact CG-CG1 4Å; F558-V582 HydrophobicContact CZ-CG1 4.24Å |
| 583 | C | 69.3 | Low | 71.9 | Confident | 76 Ų | 76 | 109.3 Ų | 109.3 | 51% | 0.514 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.9 | 169.3 | -66 | 0 | 0 | 0 | 0 | 108.2 | L557 | L557-C583 PolarHBondContact N-O 3.36Å; L557-C583 PolarHBondContact O-N 2.72Å |
| 584 | A | 65.7 | Low | 71 | Confident | 61 Ų | 61 | 105.1 Ų | 105.1 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | trans | -109.9 | 130.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q586 | A584-Q586 PolarHBondContact O-N 2.74Š| ||
| 585 | F | 62.1 | Low | 70 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 63% | 0.632 | 58% | 0.575 | S | S | * | * | trans | -87.6 | 83.8 | 167.7 | -75.6 | -87.5 | 0 | 0 | 0 | 106.8 | E518 | E518-F585 HydrophobicContact CG-CB 4.32Š| ||
| 586 | Q | 60.9 | Low | 68.7 | Low | 38 Ų | 38 | 106.4 Ų | 106.4 | 18% | 0.178 | 58% | 0.584 | C | S | . | * | trans | -137.3 | 139.8 | 168 | -76.6 | 178.3 | 15.6 | 0 | 0 | 107.3 | N552 N554 A584 K588 N590 | N552-Q586 PolarHBondContact OD1-NE2 2.72Å; N554-Q586 PolarHBondContact O-NE2 3.24Å; A584-Q586 PolarHBondContact O-N 2.74Å; Q586-K588 VanDerWaalsContact C-N 3.28Å; Q586-K588 PolarHBondContact O-N 3.13Å; Q586-N590 PolarHBondContact OE1-ND2 3.29Å | ||
| 587 | L | 57.9 | Low | 67.4 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -78.7 | -15.3 | -174.1 | -80.4 | 164.3 | 0 | 0 | 0 | 112.5 | F521 D550 | F521-L587 HydrophobicContact CB-CD1 3.54Å; F521-L587 HydrophobicContact CD1-CD1 4.34Å; F521-L587 HydrophobicContact CG-CD1 4.16Å; D550-L587 PolarHBondContact OD2-N 3.27Å |
| 588 | K | 52 | Low | 65.9 | Low | 160 Ų | 160 | 106 Ų | 106 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -130.7 | 141.6 | 173.2 | -70.7 | -177.5 | -179 | 173.3 | 0 | 112.5 | Q586 N590 | Q586-K588 VanDerWaalsContact C-N 3.28Å; Q586-K588 PolarHBondContact O-N 3.13Å; K588-N590 PolarHBondContact O-N 3.22Å |
| 589 | P | 48.4 | Very low | 64.2 | Low | 126 Ų | 126 | 110 Ų | 110 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | trans | -64.2 | 131.1 | 168.6 | 27.2 | -31.6 | 0 | 0 | 0 | 109.1 | ||||
| 590 | N | 53.7 | Low | 62.4 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | trans | -65.3 | 132.7 | 169.3 | -67.2 | -53.8 | 0 | 0 | 0 | 109.2 | N552 Q586 K588 | N552-N590 PolarHBondContact ND2-ND2 3.11Å; N552-N590 VanDerWaalsContact ND2-ND2 3.15Å; Q586-N590 PolarHBondContact OE1-ND2 3.29Å; K588-N590 PolarHBondContact O-N 3.22Å | ||
| 591 | D | 34.3 | Very low | 60.3 | Low | 242 Ų | 242 | 108.1 Ų | 108.1 | 100% | 1.294 | 60% | 0.601 | S | S | * | * | trans | -62.6 | 0 | 169.1 | -82.1 | -32.6 | 0 | 0 | 0 | 112.5 |
Retrieved 591 of 591 residues in 987.5 ms
(Link to these results)