| 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 | 34.4 | Very low | 35.5 | Very low | 239 Ų | 239 | 164.6 Ų | 164.6 | 100% | 1.177 | 82% | 0.822 | S | S | * | * | 0 | 115.4 | 0 | -71.1 | 165.1 | 168.9 | 0 | 0 | 107.3 | |||||
| 2 | H | 30.8 | Very low | 36.7 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | -131.3 | 107.8 | 179.1 | -78.6 | -70.5 | 0 | 0 | 0 | 109.8 | ||||
| 3 | T | 33.4 | Very low | 37.9 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -79.6 | 141.3 | 154 | 39 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | P | 37.9 | Very low | 39.1 | Very low | 119 Ų | 119 | 155.8 Ų | 155.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -71.1 | 136.6 | 179.1 | 29.2 | -33.6 | 0 | 0 | 0 | 110.3 | E6 | P4-E6 PolarHBondContact O-N 3.01Š| ||
| 5 | I | 34.6 | Very low | 40.6 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -70.6 | 114 | 169.2 | -62.1 | 171.9 | 0 | 0 | 0 | 107.1 | K7 | I5-K7 PolarHBondContact O-N 3.46Å; I5-K7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | E | 34.4 | Very low | 42.1 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -58.5 | 116.9 | 169.7 | -72.4 | -169.2 | 114.2 | 0 | 0 | 109.1 | P4 T8 | P4-E6 PolarHBondContact O-N 3.01Å; E6-T8 PolarHBondContact O-N 3.17Å | ||
| 7 | K | 32.7 | Very low | 43.9 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -61.2 | 130.2 | 170.6 | -68.8 | -179.8 | 179.1 | 177.9 | 0 | 108 | I5 K9 | I5-K7 PolarHBondContact O-N 3.46Å; I5-K7 VanDerWaalsContact O-N 3.11Å; K7-K9 PolarHBondContact O-N 3.37Å | ||
| 8 | T | 36.3 | Very low | 46 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | trans | -56.4 | 107.5 | 168.4 | 45.6 | 0 | 0 | 0 | 0 | 109 | E6 D10 | E6-T8 PolarHBondContact O-N 3.17Å; T8-D10 PolarHBondContact O-N 3.37Å | ||
| 9 | K | 36.4 | Very low | 47.7 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 74% | 0.735 | 67% | 0.667 | S | S | * | * | trans | -60.8 | 121.5 | 159.8 | -80.5 | -171.8 | 174.2 | -175.8 | 0 | 107 | K7 W11 | K7-K9 PolarHBondContact O-N 3.37Å; K9-W11 PolarHBondContact O-N 3.26Å; K9-W11 VanDerWaalsContact O-N 3.16Å; K9-W11 PolarHBondContact O-NE1 3.11Å | ||
| 10 | D | 37.1 | Very low | 48.9 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 64% | 0.637 | S | S | * | * | trans | -68.2 | 106.8 | 160.2 | -70.2 | -46.7 | 0 | 0 | 0 | 106.9 | T8 | T8-D10 PolarHBondContact O-N 3.37Š| ||
| 11 | W | 42.2 | Very low | 49.7 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 53% | 0.534 | 63% | 0.634 | S | S | . | * | trans | -64.4 | 135.6 | 175.7 | -58.6 | 80.8 | 0 | 0 | 0 | 108.4 | K9 D15 | K9-W11 PolarHBondContact O-N 3.26Å; K9-W11 VanDerWaalsContact O-N 3.16Å; K9-W11 PolarHBondContact O-NE1 3.11Å; W11-D15 HydrophobicContact CB-CB 4.43Å; W11-D15 HydrophobicContact CE3-CB 4.32Å | ||
| 12 | T | 50.5 | Low | 51.3 | Low | 74 Ų | 74 | 117.8 Ų | 117.8 | 45% | 0.454 | 58% | 0.581 | S | S | . | * | trans | -66 | 157.9 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | E14 D15 | T12-E14 PolarHBondContact O-N 3.08Å; T12-E14 VanDerWaalsContact O-N 3.07Å; T12-D15 PolarHBondContact O-N 3.3Å; T12-D15 VanDerWaalsContact O-N 3.13Å | ||
| 13 | Q | 52.5 | Low | 52.7 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -16.7 | -177.3 | -161.6 | 167.4 | 12.2 | 0 | 0 | 112.7 | ||
| 14 | E | 54.8 | Low | 53.8 | Low | 151 Ų | 151 | 108.2 Ų | 108.2 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -35.2 | 176.2 | -62.2 | 163.8 | 142 | 0 | 0 | 112.5 | T12 Q16 R17 | T12-E14 PolarHBondContact O-N 3.08Å; T12-E14 VanDerWaalsContact O-N 3.07Å; E14-Q16 PolarHBondContact O-N 3.49Å; E14-Q16 VanDerWaalsContact O-N 3.11Å; E14-R17 PolarHBondContact O-N 2.95Å |
| 15 | D | 61.3 | Low | 54.6 | Low | 76 Ų | 76 | 109.2 Ų | 109.2 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.6 | 180 | -71.2 | -33.9 | 0 | 0 | 0 | 113.6 | W11 T12 A74 L75 | W11-D15 HydrophobicContact CB-CB 4.43Å; W11-D15 HydrophobicContact CE3-CB 4.32Å; T12-D15 PolarHBondContact O-N 3.3Å; T12-D15 VanDerWaalsContact O-N 3.13Å; D15-A74 VanDerWaalsContact O-CA 3.31Å; D15-A74 WeakPolarHBondContact O-CA 3.45Å; D15-L75 PolarHBondContact O-N 3.12Å |
| 16 | Q | 65 | Low | 55.7 | Low | 50 Ų | 50 | 103 Ų | 103 | 23% | 0.234 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -12.2 | -177.8 | -60.1 | -179.6 | 5.4 | 0 | 0 | 113.1 | E14 | E14-Q16 PolarHBondContact O-N 3.49Å; E14-Q16 VanDerWaalsContact O-N 3.11Å |
| 17 | R | 72.1 | Confident | 57.1 | Low | 123 Ų | 123 | 97.2 Ų | 97.2 | 46% | 0.464 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 124.7 | -169.6 | -54.2 | -159.5 | 168.8 | -168.6 | -6.3 | 111 | E14 V30 T31 E72 | E14-R17 PolarHBondContact O-N 2.95Å; R17-V30 WeakPolarHBondContact CA-O 3.29Å; R17-T31 HydrophobicContact CG-CG2 4.02Å; R17-E72 IonicContact NH2-OE1 3.51Å; R17-E72 PolarHBondContact NH2-OE1 3.37Å; R17-E72 IonicContact NH2-OE2 3.68Å |
| 18 | Q | 81.3 | Confident | 59.2 | Low | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.056 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.3 | 175.4 | 179.9 | -178.9 | -8.9 | 0 | 0 | 109.3 | I20 V30 L75 F151 | Q18-I20 HydrophobicContact CG-CG1 3.86Å; Q18-V30 HydrophobicContact CB-CB 4.44Å; Q18-V30 PolarHBondContact N-O 3.41Å; Q18-V30 WeakPolarHBondContact O-CA 3.28Å; Q18-V30 VanDerWaalsContact O-CB 3.3Å; Q18-V30 WeakPolarHBondContact O-CB 3.49Å; Q18-V30 PolarHBondContact O-N 3.2Å; Q18-L75 HydrophobicContact CB-CD1 3.56Å; Q18-F151 PolarHBondContact NE2-O 2.91Å |
| 19 | E | 78.3 | Confident | 61.4 | Low | 138 Ų | 138 | 85.4 Ų | 85.4 | 65% | 0.645 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.2 | 160.5 | -72.2 | 176.1 | -164.4 | 0 | 0 | 108 | V27 V28 | E19-V27 HydrophobicContact CB-CG1 3.86Å; E19-V27 HydrophobicContact CG-CG1 4.12Å; E19-V28 WeakPolarHBondContact CA-O 3.42Å |
| 20 | I | 72.7 | Confident | 63.7 | Low | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.6 | 175.1 | -59.2 | -168.7 | 0 | 0 | 0 | 108.9 | Q18 V27 V28 V30 F135 F151 | Q18-I20 HydrophobicContact CG-CG1 3.86Å; I20-V27 CarbonylContact O-C 3.18Å; I20-V27 WeakPolarHBondContact O-CA 3.33Å; I20-V28 PolarHBondContact N-O 2.9Å; I20-V28 PolarHBondContact O-N 3.27Å; I20-V30 HydrophobicContact CB-CG2 4.31Å; I20-V30 HydrophobicContact CD1-CB 4.4Å; I20-V30 HydrophobicContact CD1-CG2 3.71Å; I20-V30 HydrophobicContact CG1-CB 4.47Å; I20-V30 HydrophobicContact CG1-CG2 3.75Å; I20-F135 HydrophobicContact CD1-CZ 4.22Å; I20-F151 HydrophobicContact CD1-CB 4.21Å; I20-F151 WeakPolarHBondContact CD1-O 3.4Å |
| 21 | N | 65.8 | Low | 66.1 | Low | 106 Ų | 106 | 70.8 Ų | 70.8 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.1 | 167.3 | -65.7 | -0.4 | 0 | 0 | 0 | 109.1 | ||
| 22 | E | 66.4 | Low | 68.2 | Low | 15 Ų | 15 | 64.1 Ų | 64.1 | 7% | 0.07 | 32% | 0.324 | C | S | . | . | trans | -77.2 | 167.5 | 168.3 | -58 | 179.9 | 139 | 0 | 0 | 111 | D24 D25 T26 V28 H137 K138 | E22-D24 PolarHBondContact O-N 3.11Å; E22-D24 VanDerWaalsContact O-N 3.13Å; E22-D25 PolarHBondContact O-N 3.26Å; E22-T26 PolarHBondContact N-O 3.12Å; E22-T26 PolarHBondContact OE2-OG1 2.96Å; E22-V28 HydrophobicContact CG-CG2 3.78Å; E22-H137 IonicContact OE1-CD2 3.33Å; E22-H137 PolarHBondContact OE1-CD2 2.94Å; E22-H137 VanDerWaalsContact OE1-CD2 3.31Å; E22-H137 IonicContact OE1-NE2 2.78Å; E22-H137 PolarHBondContact OE1-NE2 3.26Å; E22-K138 VanDerWaalsContact OE1-CD 3.31Å; E22-K138 WeakPolarHBondContact OE1-CD 3.38Å; E22-K138 WeakPolarHBondContact OE1-CE 3.38Å; E22-K138 IonicContact OE1-NZ 2.63Å; E22-K138 PolarHBondContact OE1-NZ 2.78Å; E22-K138 IonicContact OE2-NZ 2.67Å; E22-K138 PolarHBondContact OE2-NZ 2.88Å | ||
| 23 | L | 61.6 | Low | 70 | Confident | 57 Ų | 57 | 61 Ų | 61 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.1 | 175.6 | -75 | 164.1 | 0 | 0 | 0 | 114.2 | D25 L140 L153 | L23-D25 PolarHBondContact O-N 2.92Å; L23-L140 HydrophobicContact CD1-CD1 4.02Å; L23-L140 HydrophobicContact CD1-CD2 4.2Å; L23-L153 HydrophobicContact CD1-CD1 4.45Å; L23-L153 HydrophobicContact CG-CD1 4Å |
| 24 | D | 55.8 | Low | 71.8 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 15.5 | 176.1 | -65.2 | 63 | 0 | 0 | 0 | 112.7 | E22 T26 R382 K1055 | E22-D24 PolarHBondContact O-N 3.11Å; E22-D24 VanDerWaalsContact O-N 3.13Å; D24-T26 PolarHBondContact O-N 3.26Å; D24-R382 IonicContact OD1-CZ 3.08Å; D24-R382 IonicContact OD1-NE 3.18Å; D24-R382 IonicContact OD1-NH2 3Å; D24-R382 PolarHBondContact OD1-NH2 3.33Å; D24-K1055 IonicContact OD2-NZ 2.65Å; D24-K1055 PolarHBondContact OD2-NZ 2.96Å |
| 25 | D | 55.1 | Low | 73.2 | Confident | 139 Ų | 139 | 51.6 Ų | 51.6 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 57.8 | 16.1 | -170.2 | -69.9 | -41.8 | 0 | 0 | 0 | 114.7 | E22 L23 | E22-D25 PolarHBondContact O-N 3.26Å; L23-D25 PolarHBondContact O-N 2.92Å |
| 26 | T | 57.4 | Low | 74.5 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | trans | -81.4 | 120.1 | 177.6 | 29.1 | 0 | 0 | 0 | 0 | 112 | E22 D24 V86 | E22-T26 PolarHBondContact N-O 3.12Å; E22-T26 PolarHBondContact OE2-OG1 2.96Å; D24-T26 PolarHBondContact O-N 3.26Å; T26-V86 HydrophobicContact CG2-CG2 4.3Å | ||
| 27 | V | 64.7 | Low | 75.5 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 38% | 0.382 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 131.1 | 173 | -167.9 | 0 | 0 | 0 | 0 | 110.2 | E19 I20 V86 | E19-V27 HydrophobicContact CB-CG1 3.86Å; E19-V27 HydrophobicContact CG-CG1 4.12Å; I20-V27 CarbonylContact O-C 3.18Å; I20-V27 WeakPolarHBondContact O-CA 3.33Å; V27-V86 WeakPolarHBondContact O-CG2 3.43Å |
| 28 | V | 74.9 | Confident | 76.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.8 | -173.9 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | E19 I20 E22 V30 V83 K84 | E19-V28 WeakPolarHBondContact CA-O 3.42Å; I20-V28 PolarHBondContact N-O 2.9Å; I20-V28 PolarHBondContact O-N 3.27Å; E22-V28 HydrophobicContact CG-CG2 3.78Å; V28-V30 PolarHBondContact O-N 3.25Å; V28-V83 HydrophobicContact CG1-CG1 3.31Å; V28-K84 WeakPolarHBondContact CG1-O 3.22Å |
| 29 | D | 83.3 | Confident | 76.7 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.5 | 175.8 | -86 | -25.8 | 0 | 0 | 0 | 110.1 | V83 K84 | D29-V83 CarbonylContact O-C 3.6Å; D29-V83 WeakPolarHBondContact O-CA 3.49Å; D29-K84 HydrophobicContact CB-CB 3.95Å; D29-K84 HydrophobicContact CB-CG 4.4Å; D29-K84 PolarHBondContact N-O 2.89Å; D29-K84 PolarHBondContact O-N 3.02Å; D29-K84 IonicContact OD2-NZ 3.49Å; D29-K84 PolarHBondContact OD2-NZ 3.38Å |
| 30 | V | 85 | Confident | 77.1 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | R17 Q18 I20 V28 L75 I81 V83 F135 | R17-V30 WeakPolarHBondContact CA-O 3.29Å; Q18-V30 HydrophobicContact CB-CB 4.44Å; Q18-V30 PolarHBondContact N-O 3.41Å; Q18-V30 WeakPolarHBondContact O-CA 3.28Å; Q18-V30 VanDerWaalsContact O-CB 3.3Å; Q18-V30 WeakPolarHBondContact O-CB 3.49Å; Q18-V30 PolarHBondContact O-N 3.2Å; I20-V30 HydrophobicContact CB-CG2 4.31Å; I20-V30 HydrophobicContact CD1-CB 4.4Å; I20-V30 HydrophobicContact CD1-CG2 3.71Å; I20-V30 HydrophobicContact CG1-CB 4.47Å; I20-V30 HydrophobicContact CG1-CG2 3.75Å; V28-V30 PolarHBondContact O-N 3.25Å; V30-L75 HydrophobicContact CG1-CD2 4.24Å; V30-I81 HydrophobicContact CG1-CG2 3.38Å; V30-V83 HydrophobicContact CG2-CG1 4.35Å; V30-V83 HydrophobicContact CG2-CG2 4.45Å; V30-F135 HydrophobicContact CG1-CZ 4.43Å |
| 31 | T | 86.9 | Confident | 77.9 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 130.9 | -174.2 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | R17 I81 L82 | R17-T31 HydrophobicContact CG-CG2 4.02Å; T31-I81 WeakPolarHBondContact O-CA 3.33Å; T31-L82 PolarHBondContact N-O 3.01Å; T31-L82 PolarHBondContact O-N 3.5Å; T31-L82 WeakPolarHBondContact OG1-CB 3.26Å; T31-L82 PolarHBondContact OG1-O 3.43Å; T31-L82 VanDerWaalsContact OG1-O 3.04Å |
| 32 | G | 87.2 | Confident | 79 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | E72 C73 | G32-E72 WeakPolarHBondContact O-CA 3.49Å; G32-C73 VanDerWaalsContact C-SG 3.56Å; G32-C73 PolarHBondContact O-N 2.81Å |
| 33 | Y | 88.4 | Confident | 80 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136.1 | -179.1 | -74.7 | -96.1 | 0 | 0 | 0 | 112.7 | L66 N70 K71 E72 E79 K80 L82 | Y33-L66 HydrophobicContact CD1-CD2 4.46Å; Y33-L66 HydrophobicContact CD1-CG 4.26Å; Y33-L66 HydrophobicContact CD2-CD2 3.86Å; Y33-L66 HydrophobicContact CD2-CG 4.47Å; Y33-L66 HydrophobicContact CE2-CD2 4.15Å; Y33-L66 HydrophobicContact CG-CD2 4.04Å; Y33-L66 HydrophobicContact CG-CG 4.16Å; Y33-N70 HydrophobicContact CD1-CB 3.85Å; Y33-N70 HydrophobicContact CG-CB 4.36Å; Y33-K71 WeakPolarHBondContact CA-O 3.11Å; Y33-E72 HydrophobicContact CD1-CG 4.21Å; Y33-E72 HydrophobicContact CE1-CG 3.56Å; Y33-E72 HydrophobicContact CE2-CG 4.31Å; Y33-E72 PolarHBondContact OH-OE1 3.04Å; Y33-E72 VanDerWaalsContact OH-OE1 3.04Å; Y33-E79 PolarHBondContact O-N 3.18Å; Y33-K80 WeakPolarHBondContact CA-O 3.45Å; Y33-K80 WeakPolarHBondContact CB-O 3.29Å; Y33-K80 PolarHBondContact N-O 2.81Å; Y33-K80 PolarHBondContact O-N 3.36Å; Y33-K80 VanDerWaalsContact O-O 3.07Å; Y33-L82 HydrophobicContact CD2-CB 4.08Å; Y33-L82 HydrophobicContact CE2-CB 3.79Å; Y33-L82 HydrophobicContact CE2-CD2 4Å |
| 34 | S | 88.7 | Confident | 81.3 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.9 | 171.6 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | N70 K71 C73 | S34-N70 CarbonylContact O-C 3.41Å; S34-N70 VanDerWaalsContact O-CA 3.23Å; S34-N70 WeakPolarHBondContact O-CA 3.44Å; S34-N70 WeakPolarHBondContact O-CB 3.07Å; S34-K71 PolarHBondContact N-O 3.29Å; S34-K71 PolarHBondContact O-N 3.4Å; S34-C73 PolarHBondContact N-SG 3.23Å |
| 35 | L | 86 | Confident | 83 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 134.8 | 180 | -172.8 | 67.7 | 0 | 0 | 0 | 110.6 | Y37 T40 N70 E79 | L35-Y37 HydrophobicContact CD2-CE1 4.4Å; L35-T40 VanDerWaalsContact CD1-OG1 3.31Å; L35-T40 WeakPolarHBondContact CD1-OG1 3.33Å; L35-N70 WeakPolarHBondContact CD1-OD1 3.46Å; L35-E79 WeakPolarHBondContact CB-OE2 3.4Å; L35-E79 PolarHBondContact N-OE2 3.27Å |
| 36 | S | 87.3 | Confident | 84.6 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | trans | -115.4 | 105.6 | 173.6 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | I38 R39 T40 M69 | S36-I38 VanDerWaalsContact C-N 3.25Å; S36-I38 PolarHBondContact O-N 3.12Å; S36-R39 PolarHBondContact O-N 3.4Å; S36-R39 VanDerWaalsContact O-N 3.09Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.96Å; S36-T40 PolarHBondContact O-OG1 3.44Å; S36-T40 VanDerWaalsContact O-OG1 3.06Å; S36-M69 PolarHBondContact N-O 3.28Å | ||
| 37 | Y | 86.6 | Confident | 86.1 | Confident | 174 Ų | 174 | 58.4 Ų | 58.4 | 68% | 0.682 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -51.5 | -42.5 | -177.5 | -65.2 | -78.1 | 0 | 0 | 0 | 113 | L35 T40 I41 | L35-Y37 HydrophobicContact CD2-CE1 4.4Å; Y37-T40 PolarHBondContact O-N 3.09Å; Y37-I41 WeakPolarHBondContact O-CD1 3.48Å; Y37-I41 VanDerWaalsContact O-CG1 3.27Å; Y37-I41 WeakPolarHBondContact O-CG1 3.48Å; Y37-I41 PolarHBondContact O-N 3.46Å |
| 38 | I | 88 | Confident | 87.4 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 62% | 0.615 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.7 | -48.9 | 178.8 | -61.5 | 172.2 | 0 | 0 | 0 | 111 | S36 T40 I41 F42 | S36-I38 VanDerWaalsContact C-N 3.25Å; S36-I38 PolarHBondContact O-N 3.12Å; I38-T40 VanDerWaalsContact C-N 3.33Å; I38-T40 PolarHBondContact O-N 2.87Å; I38-I41 PolarHBondContact O-N 3.31Å; I38-F42 HydrophobicContact CG2-CD2 3.96Å; I38-F42 HydrophobicContact CG2-CE2 3.76Å; I38-F42 VanDerWaalsContact O-CD2 3.25Å; I38-F42 WeakPolarHBondContact O-CD2 3.44Å; I38-F42 PolarHBondContact O-N 3.18Å; I38-F42 VanDerWaalsContact O-N 3.14Å |
| 39 | R | 89.5 | Confident | 88.2 | Confident | 115 Ų | 115 | 67.9 Ų | 67.9 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.7 | -75.4 | -173.5 | 174.3 | -153.5 | -9.4 | 111.6 | S36 I41 F42 M43 M67 C68 M69 N70 | S36-R39 PolarHBondContact O-N 3.4Å; S36-R39 VanDerWaalsContact O-N 3.09Å; R39-I41 PolarHBondContact O-N 3.27Å; R39-F42 PolarHBondContact O-N 3.25Å; R39-M43 VanDerWaalsContact O-CB 3.26Å; R39-M43 WeakPolarHBondContact O-CB 3.46Å; R39-M43 PolarHBondContact O-N 2.87Å; R39-M67 PolarHBondContact NH1-O 3.06Å; R39-C68 WeakPolarHBondContact CB-O 3.15Å; R39-M69 VanDerWaalsContact CB-O 3.32Å; R39-M69 WeakPolarHBondContact CB-O 3.39Å; R39-N70 WeakPolarHBondContact CD-O 3.45Å; R39-N70 PolarHBondContact NH1-O 2.83Å |
| 40 | T | 87.4 | Confident | 88.5 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.4 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | L35 S36 Y37 I38 M43 Y44 M69 | L35-T40 VanDerWaalsContact CD1-OG1 3.31Å; L35-T40 WeakPolarHBondContact CD1-OG1 3.33Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 2.96Å; S36-T40 PolarHBondContact O-OG1 3.44Å; S36-T40 VanDerWaalsContact O-OG1 3.06Å; Y37-T40 PolarHBondContact O-N 3.09Å; I38-T40 VanDerWaalsContact C-N 3.33Å; I38-T40 PolarHBondContact O-N 2.87Å; T40-M43 PolarHBondContact O-N 3.16Å; T40-Y44 HydrophobicContact CG2-CD2 3.71Å; T40-Y44 HydrophobicContact CG2-CE2 3.51Å; T40-Y44 VanDerWaalsContact O-CD2 3.22Å; T40-Y44 WeakPolarHBondContact O-CD2 3.43Å; T40-Y44 PolarHBondContact O-N 2.64Å; T40-M69 HydrophobicContact CG2-CE 3.74Å |
| 41 | I | 89.6 | Confident | 88.6 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 175.6 | -70.6 | 161.7 | 0 | 0 | 0 | 111.2 | Y37 I38 R39 M43 Y44 I45 | Y37-I41 WeakPolarHBondContact O-CD1 3.48Å; Y37-I41 VanDerWaalsContact O-CG1 3.27Å; Y37-I41 WeakPolarHBondContact O-CG1 3.48Å; Y37-I41 PolarHBondContact O-N 3.46Å; I38-I41 PolarHBondContact O-N 3.31Å; R39-I41 PolarHBondContact O-N 3.27Å; I41-M43 PolarHBondContact O-N 3.22Å; I41-Y44 PolarHBondContact O-N 3.16Å; I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 2.73Å |
| 42 | F | 89 | Confident | 88.5 | Confident | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.64 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.3 | -37 | 175.6 | -79.2 | -65.1 | 0 | 0 | 0 | 112.6 | I38 R39 I45 G46 | I38-F42 HydrophobicContact CG2-CD2 3.96Å; I38-F42 HydrophobicContact CG2-CE2 3.76Å; I38-F42 VanDerWaalsContact O-CD2 3.25Å; I38-F42 WeakPolarHBondContact O-CD2 3.44Å; I38-F42 PolarHBondContact O-N 3.18Å; I38-F42 VanDerWaalsContact O-N 3.14Å; R39-F42 PolarHBondContact O-N 3.25Å; F42-I45 PolarHBondContact O-N 3Å; F42-G46 PolarHBondContact O-N 2.59Å |
| 43 | M | 87.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 79.5 Ų | 79.5 | 6% | 0.059 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 178.3 | -178.1 | -85.3 | -167.6 | 0 | 0 | 112.1 | R39 T40 I41 G46 I47 F58 M65 M69 | R39-M43 VanDerWaalsContact O-CB 3.26Å; R39-M43 WeakPolarHBondContact O-CB 3.46Å; R39-M43 PolarHBondContact O-N 2.87Å; T40-M43 PolarHBondContact O-N 3.16Å; I41-M43 PolarHBondContact O-N 3.22Å; M43-G46 PolarHBondContact O-N 3.1Å; M43-I47 HydrophobicContact CE-CD1 3.59Å; M43-I47 WeakPolarHBondContact O-CG1 2.98Å; M43-I47 PolarHBondContact O-N 2.99Å; M43-I47 HydrophobicContact SD-CD1 3.51Å; M43-I47 VanDerWaalsContact SD-CD1 3.51Å; M43-I47 HydrophobicContact SD-CG1 4.31Å; M43-F58 HydrophobicContact CE-CD2 3.64Å; M43-F58 HydrophobicContact CE-CE2 3.82Å; M43-F58 HydrophobicContact CG-CE2 4.17Å; M43-M65 HydrophobicContact CE-CE 3.83Å; M43-M65 HydrophobicContact CE-CG 3.53Å; M43-M65 HydrophobicContact CE-SD 4.1Å; M43-M69 HydrophobicContact CB-CG 4.21Å; M43-M69 HydrophobicContact CE-CG 3.86Å; M43-M69 HydrophobicContact CE-SD 3.56Å; M43-M69 VanDerWaalsContact CE-SD 3.56Å; M43-M69 HydrophobicContact CG-CG 3.73Å; M43-M69 HydrophobicContact SD-CE 4.17Å; M43-M69 HydrophobicContact SD-CG 3.85Å; M43-M69 HydrophobicContact SD-SD 3.88Å |
| 44 | Y | 89.2 | Confident | 88.3 | Confident | 130 Ų | 130 | 81.6 Ų | 81.6 | 51% | 0.51 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 172 | -81.7 | -64.7 | 0 | 0 | 0 | 112.6 | T40 I41 G46 I47 I48 M69 | T40-Y44 HydrophobicContact CG2-CD2 3.71Å; T40-Y44 HydrophobicContact CG2-CE2 3.51Å; T40-Y44 VanDerWaalsContact O-CD2 3.22Å; T40-Y44 WeakPolarHBondContact O-CD2 3.43Å; T40-Y44 PolarHBondContact O-N 2.64Å; I41-Y44 PolarHBondContact O-N 3.16Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 3.35Å; Y44-I47 HydrophobicContact CD1-CD1 4.49Å; Y44-I47 PolarHBondContact O-N 3.41Å; Y44-I48 WeakPolarHBondContact O-CG1 3.34Å; Y44-I48 PolarHBondContact O-N 3.42Å; Y44-M69 HydrophobicContact CE2-CE 4.35Å |
| 45 | I | 90.5 | Very high | 88.3 | Confident | 77 Ų | 77 | 85.6 Ų | 85.6 | 40% | 0.395 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 172.7 | -68.9 | 165.9 | 0 | 0 | 0 | 110.2 | I41 F42 I47 I48 L49 | I41-I45 HydrophobicContact CG2-CD1 3.85Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.31Å; I41-I45 PolarHBondContact O-N 2.73Å; F42-I45 PolarHBondContact O-N 3Å; I45-I47 PolarHBondContact O-N 3.45Å; I45-I48 PolarHBondContact O-N 2.88Å; I45-L49 HydrophobicContact CG2-CD1 3.75Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 3.34Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 3.4Å |
| 46 | G | 89.5 | Confident | 88.3 | Confident | 17 Ų | 17 | 84.2 Ų | 84.2 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F42 M43 Y44 T50 | F42-G46 PolarHBondContact O-N 2.59Å; M43-G46 PolarHBondContact O-N 3.1Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 3.35Å; G46-T50 WeakPolarHBondContact O-CB 3.43Å; G46-T50 WeakPolarHBondContact O-CG2 3.25Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 PolarHBondContact O-OG1 3.11Å |
| 47 | I | 89.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 84.9 Ų | 84.9 | 13% | 0.128 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 173.5 | -73 | 173.4 | 0 | 0 | 0 | 111 | M43 Y44 I45 T50 C51 G52 L54 R55 | M43-I47 HydrophobicContact CE-CD1 3.59Å; M43-I47 WeakPolarHBondContact O-CG1 2.98Å; M43-I47 PolarHBondContact O-N 2.99Å; M43-I47 HydrophobicContact SD-CD1 3.51Å; M43-I47 VanDerWaalsContact SD-CD1 3.51Å; M43-I47 HydrophobicContact SD-CG1 4.31Å; Y44-I47 HydrophobicContact CD1-CD1 4.49Å; Y44-I47 PolarHBondContact O-N 3.41Å; I45-I47 PolarHBondContact O-N 3.45Å; I47-T50 PolarHBondContact O-N 2.66Å; I47-T50 PolarHBondContact O-OG1 3.34Å; I47-C51 PolarHBondContact O-N 3.08Å; I47-G52 PolarHBondContact O-N 3.41Å; I47-L54 HydrophobicContact CG1-CB 4.41Å; I47-L54 HydrophobicContact CG1-CD2 4.42Å; I47-R55 HydrophobicContact CD1-CB 3.95Å; I47-R55 HydrophobicContact CD1-CG 4.41Å; I47-R55 HydrophobicContact CG1-CB 4.05Å; I47-R55 HydrophobicContact CG2-CB 4.09Å |
| 48 | I | 91.6 | Very high | 88.3 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 64% | 0.641 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 180 | -66.8 | 164.9 | 0 | 0 | 0 | 110.5 | Y44 I45 T50 C51 | Y44-I48 WeakPolarHBondContact O-CG1 3.34Å; Y44-I48 PolarHBondContact O-N 3.42Å; I45-I48 PolarHBondContact O-N 2.88Å; I48-T50 PolarHBondContact O-N 2.98Å; I48-T50 VanDerWaalsContact O-N 3.17Å; I48-C51 PolarHBondContact O-N 2.92Å |
| 49 | L | 91.8 | Very high | 88.2 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 74% | 0.738 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63 | -19.6 | 177.8 | -72.2 | 173.8 | 0 | 0 | 0 | 114 | I45 | I45-L49 HydrophobicContact CG2-CD1 3.75Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 3.34Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 3.4Å |
| 50 | T | 90.2 | Very high | 87.8 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 34% | 0.344 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 12.2 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | G46 I47 I48 G52 L53 L54 | G46-T50 WeakPolarHBondContact O-CB 3.43Å; G46-T50 WeakPolarHBondContact O-CG2 3.25Å; G46-T50 PolarHBondContact O-N 3.34Å; G46-T50 PolarHBondContact O-OG1 3.11Å; I47-T50 PolarHBondContact O-N 2.66Å; I47-T50 PolarHBondContact O-OG1 3.34Å; I48-T50 PolarHBondContact O-N 2.98Å; I48-T50 VanDerWaalsContact O-N 3.17Å; T50-G52 PolarHBondContact O-N 2.72Å; T50-G52 VanDerWaalsContact O-N 3.09Å; T50-L53 VanDerWaalsContact O-CB 3.29Å; T50-L53 WeakPolarHBondContact O-CB 3.31Å; T50-L53 PolarHBondContact O-N 3.26Å; T50-L54 HydrophobicContact CG2-CB 4.25Å; T50-L54 WeakPolarHBondContact OG1-CB 3.48Å; T50-L54 PolarHBondContact OG1-N 3.48Å; T50-L54 VanDerWaalsContact OG1-N 3.17Å |
| 51 | C | 87 | Confident | 87.7 | Confident | 129 Ų | 129 | 76.8 Ų | 76.8 | 87% | 0.872 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 34.2 | -177.1 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | I47 I48 | I47-C51 PolarHBondContact O-N 3.08Å; I48-C51 PolarHBondContact O-N 2.92Å |
| 52 | G | 84.5 | Confident | 87.3 | Confident | 28 Ų | 28 | 75 Ų | 75 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -9.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I47 T50 L54 R55 L56 | I47-G52 PolarHBondContact O-N 3.41Å; T50-G52 PolarHBondContact O-N 2.72Å; T50-G52 VanDerWaalsContact O-N 3.09Å; G52-L54 VanDerWaalsContact C-N 3.29Å; G52-L54 PolarHBondContact O-N 3.34Å; G52-R55 WeakPolarHBondContact O-CA 3.4Å; G52-R55 VanDerWaalsContact O-CB 3.31Å; G52-R55 WeakPolarHBondContact O-CB 3.4Å; G52-R55 PolarHBondContact O-N 3.14Å; G52-L56 PolarHBondContact O-N 2.94Å; G52-L56 VanDerWaalsContact O-N 3.1Å |
| 53 | L | 84.1 | Confident | 87.1 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 62% | 0.618 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.4 | -39 | -178.5 | -162.1 | 95.7 | 0 | 0 | 0 | 112.2 | T50 R55 L56 V57 | T50-L53 VanDerWaalsContact O-CB 3.29Å; T50-L53 WeakPolarHBondContact O-CB 3.31Å; T50-L53 PolarHBondContact O-N 3.26Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.44Å; L53-L56 WeakPolarHBondContact O-CB 3.4Å; L53-L56 PolarHBondContact O-N 3.34Å; L53-V57 PolarHBondContact O-N 3.44Å; L53-V57 VanDerWaalsContact O-N 3.09Å |
| 54 | L | 87.4 | Confident | 87 | Confident | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.272 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | 175.1 | -175.6 | 64.3 | 0 | 0 | 0 | 112.2 | I47 T50 G52 L56 V57 F58 | I47-L54 HydrophobicContact CG1-CB 4.41Å; I47-L54 HydrophobicContact CG1-CD2 4.42Å; T50-L54 HydrophobicContact CG2-CB 4.25Å; T50-L54 WeakPolarHBondContact OG1-CB 3.48Å; T50-L54 PolarHBondContact OG1-N 3.48Å; T50-L54 VanDerWaalsContact OG1-N 3.17Å; G52-L54 VanDerWaalsContact C-N 3.29Å; G52-L54 PolarHBondContact O-N 3.34Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-V57 PolarHBondContact O-N 3.25Å; L54-F58 HydrophobicContact CD1-CD2 4.31Å; L54-F58 HydrophobicContact CD1-CE1 4.48Å; L54-F58 HydrophobicContact CD1-CE2 3.76Å; L54-F58 HydrophobicContact CD1-CZ 3.84Å; L54-F58 HydrophobicContact CD2-CE2 3.88Å; L54-F58 HydrophobicContact CD2-CZ 4.46Å; L54-F58 HydrophobicContact CG-CD2 3.92Å; L54-F58 HydrophobicContact CG-CE2 3.49Å; L54-F58 VanDerWaalsContact CG-CE2 3.49Å; L54-F58 HydrophobicContact CG-CZ 4.1Å; L54-F58 WeakPolarHBondContact O-CB 3.46Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 WeakPolarHBondContact O-CG 3.39Å; L54-F58 PolarHBondContact O-N 3.45Å |
| 55 | R | 88.8 | Confident | 87 | Confident | 116 Ų | 116 | 71.6 Ų | 71.6 | 44% | 0.438 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 175.5 | -179.4 | 57.3 | 169 | 133.2 | 0.2 | 111.7 | I47 G52 L53 F58 H59 M65 | I47-R55 HydrophobicContact CD1-CB 3.95Å; I47-R55 HydrophobicContact CD1-CG 4.41Å; I47-R55 HydrophobicContact CG1-CB 4.05Å; I47-R55 HydrophobicContact CG2-CB 4.09Å; G52-R55 WeakPolarHBondContact O-CA 3.4Å; G52-R55 VanDerWaalsContact O-CB 3.31Å; G52-R55 WeakPolarHBondContact O-CB 3.4Å; G52-R55 PolarHBondContact O-N 3.14Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.44Å; R55-F58 PolarHBondContact O-N 3.27Å; R55-H59 PolarHBondContact O-N 3.25Å; R55-M65 PolarHBondContact NH1-SD 3.4Å |
| 56 | L | 86.1 | Confident | 86.7 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.4 | -45.3 | 173.8 | -176.8 | 65.3 | 0 | 0 | 0 | 111.8 | G52 L53 L54 F58 H59 W60 L204 C209 | G52-L56 PolarHBondContact O-N 2.94Å; G52-L56 VanDerWaalsContact O-N 3.1Å; L53-L56 WeakPolarHBondContact O-CB 3.4Å; L53-L56 PolarHBondContact O-N 3.34Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 2.89Å; L56-H59 WeakPolarHBondContact O-CA 3.48Å; L56-H59 WeakPolarHBondContact O-CB 3.48Å; L56-H59 PolarHBondContact O-N 3.48Å; L56-W60 HydrophobicContact CD1-CH2 4.43Å; L56-W60 HydrophobicContact CD1-CZ2 3.74Å; L56-W60 HydrophobicContact CD2-CH2 3.69Å; L56-W60 HydrophobicContact CD2-CZ2 3.77Å; L56-W60 HydrophobicContact CG-CH2 3.74Å; L56-W60 HydrophobicContact CG-CZ2 3.55Å; L56-W60 HydrophobicContact CG-CZ3 4.34Å; L56-W60 PolarHBondContact O-N 2.93Å; L56-L204 HydrophobicContact CD1-CB 4.48Å; L56-L204 HydrophobicContact CD1-CD2 3.74Å; L56-C209 HydrophobicContact CD2-CB 4.44Å |
| 57 | V | 85.5 | Confident | 86.6 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 173.8 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L53 L54 H59 W60 F61 | L53-V57 PolarHBondContact O-N 3.44Å; L53-V57 VanDerWaalsContact O-N 3.09Å; L54-V57 PolarHBondContact O-N 3.25Å; V57-H59 VanDerWaalsContact C-N 3.28Å; V57-H59 PolarHBondContact O-N 3.34Å; V57-W60 PolarHBondContact O-N 3.38Å; V57-F61 HydrophobicContact CG1-CD2 4.27Å; V57-F61 PolarHBondContact O-N 3.04Å |
| 58 | F | 87.1 | Confident | 86.4 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 5% | 0.053 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.1 | -15.7 | 174 | -72.7 | -32.9 | 0 | 0 | 0 | 114.8 | M43 L54 R55 L56 F61 P62 W64 M65 C68 | M43-F58 HydrophobicContact CE-CD2 3.64Å; M43-F58 HydrophobicContact CE-CE2 3.82Å; M43-F58 HydrophobicContact CG-CE2 4.17Å; L54-F58 HydrophobicContact CD1-CD2 4.31Å; L54-F58 HydrophobicContact CD1-CE1 4.48Å; L54-F58 HydrophobicContact CD1-CE2 3.76Å; L54-F58 HydrophobicContact CD1-CZ 3.84Å; L54-F58 HydrophobicContact CD2-CE2 3.88Å; L54-F58 HydrophobicContact CD2-CZ 4.46Å; L54-F58 HydrophobicContact CG-CD2 3.92Å; L54-F58 HydrophobicContact CG-CE2 3.49Å; L54-F58 VanDerWaalsContact CG-CE2 3.49Å; L54-F58 HydrophobicContact CG-CZ 4.1Å; L54-F58 WeakPolarHBondContact O-CB 3.46Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 WeakPolarHBondContact O-CG 3.39Å; L54-F58 PolarHBondContact O-N 3.45Å; R55-F58 PolarHBondContact O-N 3.27Å; L56-F58 VanDerWaalsContact C-N 3.26Å; L56-F58 PolarHBondContact O-N 2.89Å; F58-F61 CarbonylContact O-C 3.57Å; F58-P62 WeakPolarHBondContact O-CA 3.49Å; F58-W64 HydrophobicContact CD1-CB 4.05Å; F58-W64 HydrophobicContact CE1-CB 3.94Å; F58-M65 HydrophobicContact CB-CB 3.85Å; F58-M65 HydrophobicContact CB-CG 3.96Å; F58-M65 HydrophobicContact CB-SD 4.08Å; F58-M65 HydrophobicContact CD1-CB 4.01Å; F58-M65 HydrophobicContact CD2-CB 4.47Å; F58-M65 HydrophobicContact CD2-CG 4.18Å; F58-M65 HydrophobicContact CG-CB 3.88Å; F58-M65 HydrophobicContact CG-CG 4.02Å; F58-C68 HydrophobicContact CZ-CB 4.09Å |
| 59 | H | 85.5 | Confident | 86.2 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 32% | 0.319 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 169.1 | -171.2 | -106.3 | 0 | 0 | 0 | 110.8 | R55 L56 V57 D201 | R55-H59 PolarHBondContact O-N 3.25Å; L56-H59 WeakPolarHBondContact O-CA 3.48Å; L56-H59 WeakPolarHBondContact O-CB 3.48Å; L56-H59 PolarHBondContact O-N 3.48Å; V57-H59 VanDerWaalsContact C-N 3.28Å; V57-H59 PolarHBondContact O-N 3.34Å; H59-D201 IonicContact NE2-OD1 2.74Å |
| 60 | W | 81.9 | Confident | 86 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75 | -31.4 | 177 | -53.8 | -35.3 | 0 | 0 | 0 | 113.2 | L56 V57 P62 L204 P206 C209 | L56-W60 HydrophobicContact CD1-CH2 4.43Å; L56-W60 HydrophobicContact CD1-CZ2 3.74Å; L56-W60 HydrophobicContact CD2-CH2 3.69Å; L56-W60 HydrophobicContact CD2-CZ2 3.77Å; L56-W60 HydrophobicContact CG-CH2 3.74Å; L56-W60 HydrophobicContact CG-CZ2 3.55Å; L56-W60 HydrophobicContact CG-CZ3 4.34Å; L56-W60 PolarHBondContact O-N 2.93Å; V57-W60 PolarHBondContact O-N 3.38Å; W60-P62 VanDerWaalsContact C-CD 3.45Å; W60-P62 WeakPolarHBondContact O-CD 3.31Å; W60-L204 PolarHBondContact NE1-O 2.84Å; W60-P206 HydrophobicContact CD2-CG 4.02Å; W60-P206 HydrophobicContact CE3-CG 4.42Å; W60-P206 HydrophobicContact CH2-CB 4.16Å; W60-P206 HydrophobicContact CH2-CG 4.18Å; W60-P206 HydrophobicContact CZ2-CB 4.01Å; W60-P206 HydrophobicContact CZ2-CG 3.76Å; W60-P206 HydrophobicContact CZ3-CG 4.49Å; W60-C209 HydrophobicContact CZ2-CB 4.49Å |
| 61 | F | 84.4 | Confident | 86 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | trans | -122.2 | 69.4 | 179.2 | -57.9 | -71.9 | 0 | 0 | 0 | 111.5 | V57 F58 H63 W64 M65 | V57-F61 HydrophobicContact CG1-CD2 4.27Å; V57-F61 PolarHBondContact O-N 3.04Å; F58-F61 CarbonylContact O-C 3.57Å; F61-H63 PolarHBondContact O-N 3.3Å; F61-W64 HydrophobicContact CB-CB 4.25Å; F61-W64 HydrophobicContact CB-CD2 3.91Å; F61-W64 HydrophobicContact CB-CE3 4.2Å; F61-W64 HydrophobicContact CB-CG 3.94Å; F61-W64 HydrophobicContact CG-CD2 4.37Å; F61-W64 HydrophobicContact CG-CE3 4.47Å; F61-W64 WeakPolarHBondContact O-CB 3.45Å; F61-W64 PolarHBondContact O-N 3.43Å; F61-M65 PolarHBondContact O-N 2.92Å | ||
| 62 | P | 82 | Confident | 85.9 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -26.1 | -174.3 | 26.3 | -35.6 | 0 | 0 | 0 | 113.1 | F58 W60 W64 M65 L66 I92 | F58-P62 WeakPolarHBondContact O-CA 3.49Å; W60-P62 VanDerWaalsContact C-CD 3.45Å; W60-P62 WeakPolarHBondContact O-CD 3.31Å; P62-W64 VanDerWaalsContact C-N 3.31Å; P62-W64 PolarHBondContact O-N 2.89Å; P62-M65 VanDerWaalsContact O-CB 3.27Å; P62-M65 WeakPolarHBondContact O-CB 3.27Å; P62-M65 PolarHBondContact O-N 3.28Å; P62-L66 PolarHBondContact O-N 3.1Å; P62-L66 VanDerWaalsContact O-N 3.08Å; P62-I92 HydrophobicContact CB-CD1 4.01Å; P62-I92 WeakPolarHBondContact O-CD1 3.46Å |
| 63 | H | 84.4 | Confident | 86 | Confident | 50 Ų | 50 | 62.1 Ų | 62.1 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -30 | 173.4 | 72.1 | -75 | 0 | 0 | 0 | 112.9 | F61 L66 M67 L82 C90 | F61-H63 PolarHBondContact O-N 3.3Å; H63-L66 PolarHBondContact O-N 3.42Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.39Å; H63-M67 PolarHBondContact O-N 3.1Å; H63-M67 VanDerWaalsContact O-N 3.1Å; H63-L82 HydrophobicContact CB-CD1 4.16Å; H63-C90 HydrophobicContact CB-CB 4.25Å |
| 64 | W | 86 | Confident | 85.9 | Confident | 129 Ų | 129 | 57.2 Ų | 57.2 | 49% | 0.489 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 171.6 | -65.5 | 4.9 | 0 | 0 | 0 | 111.1 | F58 F61 P62 L66 M67 C68 | F58-W64 HydrophobicContact CD1-CB 4.05Å; F58-W64 HydrophobicContact CE1-CB 3.94Å; F61-W64 HydrophobicContact CB-CB 4.25Å; F61-W64 HydrophobicContact CB-CD2 3.91Å; F61-W64 HydrophobicContact CB-CE3 4.2Å; F61-W64 HydrophobicContact CB-CG 3.94Å; F61-W64 HydrophobicContact CG-CD2 4.37Å; F61-W64 HydrophobicContact CG-CE3 4.47Å; F61-W64 WeakPolarHBondContact O-CB 3.45Å; F61-W64 PolarHBondContact O-N 3.43Å; P62-W64 VanDerWaalsContact C-N 3.31Å; P62-W64 PolarHBondContact O-N 2.89Å; W64-L66 VanDerWaalsContact C-N 3.33Å; W64-L66 PolarHBondContact O-N 3.48Å; W64-M67 PolarHBondContact O-N 3.37Å; W64-C68 VanDerWaalsContact O-CB 3.3Å; W64-C68 WeakPolarHBondContact O-CB 3.23Å; W64-C68 PolarHBondContact O-N 3.03Å; W64-C68 PolarHBondContact O-SG 3.25Å |
| 65 | M | 88.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 19% | 0.192 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 174.1 | -163.7 | 177.8 | 150.6 | 0 | 0 | 111.2 | M43 R55 F58 F61 P62 C68 M69 | M43-M65 HydrophobicContact CE-CE 3.83Å; M43-M65 HydrophobicContact CE-CG 3.53Å; M43-M65 HydrophobicContact CE-SD 4.1Å; R55-M65 PolarHBondContact NH1-SD 3.4Å; F58-M65 HydrophobicContact CB-CB 3.85Å; F58-M65 HydrophobicContact CB-CG 3.96Å; F58-M65 HydrophobicContact CB-SD 4.08Å; F58-M65 HydrophobicContact CD1-CB 4.01Å; F58-M65 HydrophobicContact CD2-CB 4.47Å; F58-M65 HydrophobicContact CD2-CG 4.18Å; F58-M65 HydrophobicContact CG-CB 3.88Å; F58-M65 HydrophobicContact CG-CG 4.02Å; F61-M65 PolarHBondContact O-N 2.92Å; P62-M65 VanDerWaalsContact O-CB 3.27Å; P62-M65 WeakPolarHBondContact O-CB 3.27Å; P62-M65 PolarHBondContact O-N 3.28Å; M65-C68 PolarHBondContact O-N 3.33Å; M65-M69 HydrophobicContact CE-CE 4.49Å; M65-M69 HydrophobicContact CE-SD 3.43Å; M65-M69 WeakPolarHBondContact CE-SD 3.27Å; M65-M69 HydrophobicContact CG-SD 3.93Å; M65-M69 WeakPolarHBondContact O-CG 3.37Å; M65-M69 PolarHBondContact O-N 2.99Å |
| 66 | L | 85.8 | Confident | 85.3 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 177.3 | -170.2 | 74.3 | 0 | 0 | 0 | 111.7 | Y33 P62 H63 W64 C68 M69 N70 K80 L82 I92 | Y33-L66 HydrophobicContact CD1-CD2 4.46Å; Y33-L66 HydrophobicContact CD1-CG 4.26Å; Y33-L66 HydrophobicContact CD2-CD2 3.86Å; Y33-L66 HydrophobicContact CD2-CG 4.47Å; Y33-L66 HydrophobicContact CE2-CD2 4.15Å; Y33-L66 HydrophobicContact CG-CD2 4.04Å; Y33-L66 HydrophobicContact CG-CG 4.16Å; P62-L66 PolarHBondContact O-N 3.1Å; P62-L66 VanDerWaalsContact O-N 3.08Å; H63-L66 PolarHBondContact O-N 3.42Å; W64-L66 VanDerWaalsContact C-N 3.33Å; W64-L66 PolarHBondContact O-N 3.48Å; L66-C68 VanDerWaalsContact C-N 3.27Å; L66-C68 PolarHBondContact O-N 3.41Å; L66-M69 PolarHBondContact O-N 3.42Å; L66-N70 HydrophobicContact CD1-CB 4.49Å; L66-N70 WeakPolarHBondContact CD1-ND2 3.41Å; L66-N70 WeakPolarHBondContact O-CB 3.49Å; L66-N70 PolarHBondContact O-N 2.99Å; L66-K80 HydrophobicContact CD1-CB 3.97Å; L66-K80 HydrophobicContact CD1-CD 3.76Å; L66-K80 HydrophobicContact CD1-CG 4.47Å; L66-L82 HydrophobicContact CD2-CB 3.75Å; L66-L82 HydrophobicContact CD2-CD1 4.31Å; L66-L82 HydrophobicContact CD2-CG 4.42Å; L66-I92 HydrophobicContact CB-CD1 4.14Å; L66-I92 HydrophobicContact CD1-CG2 4.28Å; L66-I92 HydrophobicContact CD2-CD1 4.31Å; L66-I92 HydrophobicContact CD2-CG1 4.31Å; L66-I92 HydrophobicContact CD2-CG2 4.31Å |
| 67 | M | 86.4 | Confident | 85.1 | Confident | 83 Ų | 83 | 58 Ų | 58 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 178.8 | -69.5 | 171.5 | 178.9 | 0 | 0 | 112.9 | R39 H63 W64 L82 | R39-M67 PolarHBondContact NH1-O 3.06Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.39Å; H63-M67 PolarHBondContact O-N 3.1Å; H63-M67 VanDerWaalsContact O-N 3.1Å; W64-M67 PolarHBondContact O-N 3.37Å; M67-L82 HydrophobicContact CE-CD2 3.99Å |
| 68 | C | 86.6 | Confident | 85.1 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -75 | -40.7 | 177.1 | -75 | 0 | 0 | 0 | 0 | 113.4 | R39 F58 W64 M65 L66 | R39-C68 WeakPolarHBondContact CB-O 3.15Å; F58-C68 HydrophobicContact CZ-CB 4.09Å; W64-C68 VanDerWaalsContact O-CB 3.3Å; W64-C68 WeakPolarHBondContact O-CB 3.23Å; W64-C68 PolarHBondContact O-N 3.03Å; W64-C68 PolarHBondContact O-SG 3.25Å; M65-C68 PolarHBondContact O-N 3.33Å; L66-C68 VanDerWaalsContact C-N 3.27Å; L66-C68 PolarHBondContact O-N 3.41Å |
| 69 | M | 87.1 | Confident | 85 | Confident | 20 Ų | 20 | 57.7 Ų | 57.7 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -87.2 | -36.9 | -176 | -65.6 | 179.8 | 80.8 | 0 | 0 | 113.9 | S36 R39 T40 M43 Y44 M65 L66 | S36-M69 PolarHBondContact N-O 3.28Å; R39-M69 VanDerWaalsContact CB-O 3.32Å; R39-M69 WeakPolarHBondContact CB-O 3.39Å; T40-M69 HydrophobicContact CG2-CE 3.74Å; M43-M69 HydrophobicContact CB-CG 4.21Å; M43-M69 HydrophobicContact CE-CG 3.86Å; M43-M69 HydrophobicContact CE-SD 3.56Å; M43-M69 VanDerWaalsContact CE-SD 3.56Å; M43-M69 HydrophobicContact CG-CG 3.73Å; M43-M69 HydrophobicContact SD-CE 4.17Å; M43-M69 HydrophobicContact SD-CG 3.85Å; M43-M69 HydrophobicContact SD-SD 3.88Å; Y44-M69 HydrophobicContact CE2-CE 4.35Å; M65-M69 HydrophobicContact CE-CE 4.49Å; M65-M69 HydrophobicContact CE-SD 3.43Å; M65-M69 WeakPolarHBondContact CE-SD 3.27Å; M65-M69 HydrophobicContact CG-SD 3.93Å; M65-M69 WeakPolarHBondContact O-CG 3.37Å; M65-M69 PolarHBondContact O-N 2.99Å; L66-M69 PolarHBondContact O-N 3.42Å |
| 70 | N | 88 | Confident | 85.1 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 170.8 | -170.2 | -69.3 | 16.9 | 0 | 0 | 0 | 111.5 | Y33 S34 L35 R39 L66 | Y33-N70 HydrophobicContact CD1-CB 3.85Å; Y33-N70 HydrophobicContact CG-CB 4.36Å; S34-N70 CarbonylContact O-C 3.41Å; S34-N70 VanDerWaalsContact O-CA 3.23Å; S34-N70 WeakPolarHBondContact O-CA 3.44Å; S34-N70 WeakPolarHBondContact O-CB 3.07Å; L35-N70 WeakPolarHBondContact CD1-OD1 3.46Å; R39-N70 WeakPolarHBondContact CD-O 3.45Å; R39-N70 PolarHBondContact NH1-O 2.83Å; L66-N70 HydrophobicContact CD1-CB 4.49Å; L66-N70 WeakPolarHBondContact CD1-ND2 3.41Å; L66-N70 WeakPolarHBondContact O-CB 3.49Å; L66-N70 PolarHBondContact O-N 2.99Å |
| 71 | K | 88.3 | Confident | 85.5 | Confident | 132 Ų | 132 | 53.4 Ų | 53.4 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142.1 | 168.7 | -170.1 | -166.1 | 170 | -172.4 | 0 | 108.8 | Y33 S34 | Y33-K71 WeakPolarHBondContact CA-O 3.11Å; S34-K71 PolarHBondContact N-O 3.29Å; S34-K71 PolarHBondContact O-N 3.4Å |
| 72 | E | 86.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 140.7 | 168.8 | -67.7 | -175.4 | 153.4 | 0 | 0 | 110.4 | R17 G32 Y33 | R17-E72 IonicContact NH2-OE1 3.51Å; R17-E72 PolarHBondContact NH2-OE1 3.37Å; R17-E72 IonicContact NH2-OE2 3.68Å; G32-E72 WeakPolarHBondContact O-CA 3.49Å; Y33-E72 HydrophobicContact CD1-CG 4.21Å; Y33-E72 HydrophobicContact CE1-CG 3.56Å; Y33-E72 HydrophobicContact CE2-CG 4.31Å; Y33-E72 PolarHBondContact OH-OE1 3.04Å; Y33-E72 VanDerWaalsContact OH-OE1 3.04Å |
| 73 | C | 85.8 | Confident | 86 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | trans | -151.1 | 164.7 | -174 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | G32 S34 | G32-C73 VanDerWaalsContact C-SG 3.56Å; G32-C73 PolarHBondContact O-N 2.81Å; S34-C73 PolarHBondContact N-SG 3.23Å | ||
| 74 | A | 83.1 | Confident | 86 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | trans | -65.2 | 141.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | D15 I76 K77 | D15-A74 VanDerWaalsContact O-CA 3.31Å; D15-A74 WeakPolarHBondContact O-CA 3.45Å; A74-I76 VanDerWaalsContact C-N 3.28Å; A74-I76 PolarHBondContact O-N 3.07Å; A74-I76 VanDerWaalsContact O-N 3.12Å; A74-K77 PolarHBondContact O-N 3.31Å | ||
| 75 | L | 81.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -56.2 | -35.7 | -166.4 | -71.5 | 163.7 | 0 | 0 | 0 | 114.3 | D15 Q18 V30 K77 A78 W144 F151 | D15-L75 PolarHBondContact O-N 3.12Å; Q18-L75 HydrophobicContact CB-CD1 3.56Å; V30-L75 HydrophobicContact CG1-CD2 4.24Å; L75-K77 PolarHBondContact O-N 3.01Å; L75-K77 VanDerWaalsContact O-N 3.11Å; L75-A78 VanDerWaalsContact O-CB 3.31Å; L75-A78 WeakPolarHBondContact O-CB 3.41Å; L75-A78 PolarHBondContact O-N 3.05Å; L75-A78 VanDerWaalsContact O-N 3.09Å; L75-W144 HydrophobicContact CB-CH2 4.17Å; L75-W144 HydrophobicContact CB-CZ3 3.75Å; L75-F151 HydrophobicContact CB-CD2 4.43Å; L75-F151 HydrophobicContact CB-CE2 4.19Å |
| 76 | I | 80.5 | Confident | 84.7 | Confident | 92 Ų | 92 | 45.6 Ų | 45.6 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -63.3 | -14.2 | 176.2 | -159.1 | 173.6 | 0 | 0 | 0 | 114.4 | A74 W144 | A74-I76 VanDerWaalsContact C-N 3.28Å; A74-I76 PolarHBondContact O-N 3.07Å; A74-I76 VanDerWaalsContact O-N 3.12Å; I76-W144 HydrophobicContact CB-CH2 3.8Å; I76-W144 HydrophobicContact CB-CZ2 3.53Å; I76-W144 HydrophobicContact CD1-CZ2 3.81Å; I76-W144 HydrophobicContact CG1-CH2 4.42Å; I76-W144 HydrophobicContact CG1-CZ2 3.69Å |
| 77 | K | 82.6 | Confident | 83.8 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -115.7 | 11.2 | 177.3 | -64 | -179.7 | -177.7 | 173 | 0 | 112.7 | A74 L75 | A74-K77 PolarHBondContact O-N 3.31Å; L75-K77 PolarHBondContact O-N 3.01Å; L75-K77 VanDerWaalsContact O-N 3.11Å |
| 78 | A | 84.2 | Confident | 83.1 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -73 | 128.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L75 I81 V95 | L75-A78 VanDerWaalsContact O-CB 3.31Å; L75-A78 WeakPolarHBondContact O-CB 3.41Å; L75-A78 PolarHBondContact O-N 3.05Å; L75-A78 VanDerWaalsContact O-N 3.09Å; A78-I81 HydrophobicContact CB-CD1 4.45Å; A78-I81 HydrophobicContact CB-CG1 3.88Å; A78-V95 HydrophobicContact CB-CG2 4.34Å; A78-V95 WeakPolarHBondContact O-CB 3.4Å; A78-V95 WeakPolarHBondContact O-CG2 3.16Å | ||
| 79 | E | 85.6 | Confident | 82.5 | Confident | 44 Ų | 44 | 46.3 Ų | 46.3 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -92 | -28.2 | 168 | -62.7 | 172.3 | 129.6 | 0 | 0 | 110.5 | Y33 L35 V95 S116 | Y33-E79 PolarHBondContact O-N 3.18Å; L35-E79 WeakPolarHBondContact CB-OE2 3.4Å; L35-E79 PolarHBondContact N-OE2 3.27Å; E79-V95 PolarHBondContact O-N 2.94Å; E79-S116 WeakPolarHBondContact OE1-CB 3.43Å |
| 80 | K | 88.5 | Confident | 82.2 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145 | 173.2 | -59 | -165.2 | 179.5 | -62.3 | 0 | 109.6 | Y33 L66 H93 D94 | Y33-K80 WeakPolarHBondContact CA-O 3.45Å; Y33-K80 WeakPolarHBondContact CB-O 3.29Å; Y33-K80 PolarHBondContact N-O 2.81Å; Y33-K80 PolarHBondContact O-N 3.36Å; Y33-K80 VanDerWaalsContact O-O 3.07Å; L66-K80 HydrophobicContact CD1-CB 3.97Å; L66-K80 HydrophobicContact CD1-CD 3.76Å; L66-K80 HydrophobicContact CD1-CG 4.47Å; K80-H93 CarbonylContact C-O 3.58Å; K80-H93 WeakPolarHBondContact CA-O 3.34Å; K80-D94 WeakPolarHBondContact CG-OD1 3.32Å; K80-D94 IonicContact NZ-OD1 2.66Å; K80-D94 PolarHBondContact NZ-OD1 2.99Å; K80-D94 IonicContact NZ-OD2 3.42Å; K80-D94 PolarHBondContact NZ-OD2 3.42Å |
| 81 | I | 89.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.8 | 177.9 | -69 | 174.9 | 0 | 0 | 0 | 108.7 | V30 T31 A78 V83 I92 H93 V95 F135 F151 | V30-I81 HydrophobicContact CG1-CG2 3.38Å; T31-I81 WeakPolarHBondContact O-CA 3.33Å; A78-I81 HydrophobicContact CB-CD1 4.45Å; A78-I81 HydrophobicContact CB-CG1 3.88Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; I81-I92 WeakPolarHBondContact O-CA 3.4Å; I81-H93 PolarHBondContact N-O 2.71Å; I81-H93 PolarHBondContact O-N 3.17Å; I81-V95 HydrophobicContact CD1-CG2 3.53Å; I81-V95 HydrophobicContact CG1-CG2 3.63Å; I81-F135 HydrophobicContact CD1-CD1 3.54Å; I81-F135 HydrophobicContact CD1-CE1 3.79Å; I81-F135 HydrophobicContact CD1-CG 4.23Å; I81-F151 HydrophobicContact CD1-CD2 4.07Å; I81-F151 HydrophobicContact CD1-CE2 3.53Å; I81-F151 HydrophobicContact CD1-CZ 3.89Å |
| 82 | L | 89.7 | Confident | 82.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.5 | 171.1 | 175.4 | 71.4 | 0 | 0 | 0 | 108.1 | T31 Y33 H63 L66 M67 C90 I92 | T31-L82 PolarHBondContact N-O 3.01Å; T31-L82 PolarHBondContact O-N 3.5Å; T31-L82 WeakPolarHBondContact OG1-CB 3.26Å; T31-L82 PolarHBondContact OG1-O 3.43Å; T31-L82 VanDerWaalsContact OG1-O 3.04Å; Y33-L82 HydrophobicContact CD2-CB 4.08Å; Y33-L82 HydrophobicContact CE2-CB 3.79Å; Y33-L82 HydrophobicContact CE2-CD2 4Å; H63-L82 HydrophobicContact CB-CD1 4.16Å; L66-L82 HydrophobicContact CD2-CB 3.75Å; L66-L82 HydrophobicContact CD2-CD1 4.31Å; L66-L82 HydrophobicContact CD2-CG 4.42Å; M67-L82 HydrophobicContact CE-CD2 3.99Å; L82-C90 HydrophobicContact CD1-CB 4.02Å; L82-I92 HydrophobicContact CD1-CG1 3.96Å |
| 83 | V | 87.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.3 | -178.6 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | V28 D29 V30 I81 Y91 F135 H137 | V28-V83 HydrophobicContact CG1-CG1 3.31Å; D29-V83 CarbonylContact O-C 3.6Å; D29-V83 WeakPolarHBondContact O-CA 3.49Å; V30-V83 HydrophobicContact CG2-CG1 4.35Å; V30-V83 HydrophobicContact CG2-CG2 4.45Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; V83-Y91 PolarHBondContact N-O 3.38Å; V83-Y91 PolarHBondContact O-N 3.18Å; V83-F135 HydrophobicContact CG2-CE2 4.04Å; V83-H137 VanDerWaalsContact CG1-CE1 3.48Å; V83-H137 WeakPolarHBondContact CG1-CE1 3.21Å |
| 84 | K | 84.3 | Confident | 82.3 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.4 | -173.5 | 167.8 | -177.4 | 157.4 | -70.6 | 0 | 110.8 | V28 D29 V89 | V28-K84 WeakPolarHBondContact CG1-O 3.22Å; D29-K84 HydrophobicContact CB-CB 3.95Å; D29-K84 HydrophobicContact CB-CG 4.4Å; D29-K84 PolarHBondContact N-O 2.89Å; D29-K84 PolarHBondContact O-N 3.02Å; D29-K84 IonicContact OD2-NZ 3.49Å; D29-K84 PolarHBondContact OD2-NZ 3.38Å; K84-V89 WeakPolarHBondContact CA-O 3.32Å |
| 85 | D | 77 | Confident | 82.4 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | trans | -69.2 | 155.9 | -177.4 | -169.1 | -74.5 | 0 | 0 | 0 | 112.3 | H87 G88 V89 Y91 K138 | D85-H87 PolarHBondContact O-N 2.91Å; D85-H87 IonicContact OD1-CD2 2.59Å; D85-H87 IonicContact OD1-CG 3.12Å; D85-H87 PolarHBondContact OD1-N 2.87Å; D85-G88 WeakPolarHBondContact O-CA 3.37Å; D85-G88 PolarHBondContact O-N 3.1Å; D85-V89 HydrophobicContact CB-CB 4.39Å; D85-V89 PolarHBondContact N-O 3.14Å; D85-Y91 HydrophobicContact CB-CE2 4.26Å; D85-K138 IonicContact OD2-NZ 2.62Å; D85-K138 PolarHBondContact OD2-NZ 3.14Å | ||
| 86 | V | 70.9 | Confident | 82.7 | Confident | 94 Ų | 94 | 49.9 Ų | 49.9 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | -35.4 | 171.7 | -173.6 | 0 | 0 | 0 | 0 | 112 | T26 V27 G88 | T26-V86 HydrophobicContact CG2-CG2 4.3Å; V27-V86 WeakPolarHBondContact O-CG2 3.43Å; V86-G88 PolarHBondContact O-N 2.97Å |
| 87 | H | 66.8 | Low | 82.7 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 32% | 0.324 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -4.4 | 179.9 | -63.9 | -37.4 | 0 | 0 | 0 | 114.9 | D85 V89 P389 | D85-H87 PolarHBondContact O-N 2.91Å; D85-H87 IonicContact OD1-CD2 2.59Å; D85-H87 IonicContact OD1-CG 3.12Å; D85-H87 PolarHBondContact OD1-N 2.87Å; H87-V89 HydrophobicContact CB-CG2 4.49Å; H87-P389 HydrophobicContact CB-CG 3.88Å |
| 88 | G | 70.5 | Confident | 82.5 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 49% | 0.485 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 85.7 | 14.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D85 V86 | D85-G88 WeakPolarHBondContact O-CA 3.37Å; D85-G88 PolarHBondContact O-N 3.1Å; V86-G88 PolarHBondContact O-N 2.97Å |
| 89 | V | 74.1 | Confident | 82.1 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 32% | 0.315 | 25% | 0.246 | S | C | . | . | trans | -84 | 130.8 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | K84 D85 H87 Y91 P389 | K84-V89 WeakPolarHBondContact CA-O 3.32Å; D85-V89 HydrophobicContact CB-CB 4.39Å; D85-V89 PolarHBondContact N-O 3.14Å; H87-V89 HydrophobicContact CB-CG2 4.49Å; V89-Y91 HydrophobicContact CB-CE2 3.87Å; V89-Y91 HydrophobicContact CG1-CD2 4.21Å; V89-Y91 HydrophobicContact CG1-CE1 4.32Å; V89-Y91 HydrophobicContact CG1-CE2 3.54Å; V89-P389 HydrophobicContact CG2-CG 4.18Å | ||
| 90 | C | 81.6 | Confident | 81.3 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.9 | -177.6 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | H63 L82 | H63-C90 HydrophobicContact CB-CB 4.25Å; L82-C90 HydrophobicContact CD1-CB 4.02Å |
| 91 | Y | 85.4 | Confident | 80 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 26% | 0.263 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.9 | 175.6 | -57.2 | -95.5 | 0 | 0 | 0 | 109.8 | V83 D85 V89 H137 | V83-Y91 PolarHBondContact N-O 3.38Å; V83-Y91 PolarHBondContact O-N 3.18Å; D85-Y91 HydrophobicContact CB-CE2 4.26Å; V89-Y91 HydrophobicContact CB-CE2 3.87Å; V89-Y91 HydrophobicContact CG1-CD2 4.21Å; V89-Y91 HydrophobicContact CG1-CE1 4.32Å; V89-Y91 HydrophobicContact CG1-CE2 3.54Å; Y91-H137 AromaticContact CD2-CE1 3.62Å; Y91-H137 AromaticContact CG-CE1 3.7Å |
| 92 | I | 87.7 | Confident | 78.3 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.6 | 179.5 | -55.9 | 173.9 | 0 | 0 | 0 | 108 | P62 L66 I81 L82 | P62-I92 HydrophobicContact CB-CD1 4.01Å; P62-I92 WeakPolarHBondContact O-CD1 3.46Å; L66-I92 HydrophobicContact CB-CD1 4.14Å; L66-I92 HydrophobicContact CD1-CG2 4.28Å; L66-I92 HydrophobicContact CD2-CD1 4.31Å; L66-I92 HydrophobicContact CD2-CG1 4.31Å; L66-I92 HydrophobicContact CD2-CG2 4.31Å; I81-I92 WeakPolarHBondContact O-CA 3.4Å; L82-I92 HydrophobicContact CD1-CG1 3.96Å |
| 93 | H | 89 | Confident | 76.2 | Confident | 54 Ų | 54 | 55.6 Ų | 55.6 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.3 | -179.2 | -63.3 | -83.9 | 0 | 0 | 0 | 110.3 | K80 I81 F135 V136 H137 | K80-H93 CarbonylContact C-O 3.58Å; K80-H93 WeakPolarHBondContact CA-O 3.34Å; I81-H93 PolarHBondContact N-O 2.71Å; I81-H93 PolarHBondContact O-N 3.17Å; H93-F135 HydrophobicContact CB-CB 4.31Å; H93-F135 HydrophobicContact CB-CD2 4.27Å; H93-V136 VanDerWaalsContact CE1-C 3.43Å; H93-V136 PolarHBondContact CE1-O 3.18Å; H93-V136 PolarHBondContact ND1-O 3.16Å; H93-V136 PolarHBondContact NE2-O 3.23Å; H93-V136 VanDerWaalsContact NE2-O 3.15Å; H93-H137 AromaticContact CD2-ND1 3.63Å; H93-H137 AromaticContact NE2-ND1 3.88Å |
| 94 | D | 87.6 | Confident | 73.8 | Confident | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 140.9 | 174.8 | -68.7 | -8.2 | 0 | 0 | 0 | 109.3 | K80 | K80-D94 WeakPolarHBondContact CG-OD1 3.32Å; K80-D94 IonicContact NZ-OD1 2.66Å; K80-D94 PolarHBondContact NZ-OD1 2.99Å; K80-D94 IonicContact NZ-OD2 3.42Å; K80-D94 PolarHBondContact NZ-OD2 3.42Å |
| 95 | V | 86.5 | Confident | 71.6 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | trans | -88.3 | 125.8 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | A78 E79 I81 C133 F151 | A78-V95 HydrophobicContact CB-CG2 4.34Å; A78-V95 WeakPolarHBondContact O-CB 3.4Å; A78-V95 WeakPolarHBondContact O-CG2 3.16Å; E79-V95 PolarHBondContact O-N 2.94Å; I81-V95 HydrophobicContact CD1-CG2 3.53Å; I81-V95 HydrophobicContact CG1-CG2 3.63Å; V95-C133 VanDerWaalsContact CG1-SG 3.53Å; V95-F151 HydrophobicContact CG1-CZ 4.38Å | ||
| 96 | V | 86.8 | Confident | 69.5 | Low | 24 Ų | 24 | 71.6 Ų | 71.6 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.7 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | Q112 C133 Y134 | V96-Q112 HydrophobicContact CG1-CG 3.99Å; V96-C133 WeakPolarHBondContact O-CA 3.26Å; V96-Y134 HydrophobicContact CB-CD1 4.31Å; V96-Y134 HydrophobicContact CB-CD2 4.41Å; V96-Y134 HydrophobicContact CB-CE1 3.89Å; V96-Y134 HydrophobicContact CB-CE2 4.01Å; V96-Y134 HydrophobicContact CG1-CE1 3.74Å; V96-Y134 HydrophobicContact CG1-CE2 4.4Å; V96-Y134 HydrophobicContact CG2-CE2 4.36Å; V96-Y134 PolarHBondContact N-O 3.05Å; V96-Y134 PolarHBondContact O-N 2.96Å |
| 97 | V | 81.5 | Confident | 67.9 | Low | 23 Ų | 23 | 75.3 Ų | 75.3 | 14% | 0.139 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.5 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | A115 M131 C133 | V97-A115 HydrophobicContact CG2-CB 3.98Å; V97-M131 HydrophobicContact CG1-CB 4.37Å; V97-M131 HydrophobicContact CG1-CG 4.38Å; V97-M131 HydrophobicContact CG1-SD 4.02Å; V97-C133 HydrophobicContact CG2-CB 4.38Å |
| 98 | E | 78.8 | Confident | 66.5 | Low | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.22 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.9 | -177.5 | 178.4 | 169.2 | -154.2 | 0 | 0 | 108.6 | M131 V132 Y134 K141 | E98-M131 CarbonylContact O-C 3.53Å; E98-M131 WeakPolarHBondContact O-CA 3.26Å; E98-V132 PolarHBondContact N-O 2.95Å; E98-V132 PolarHBondContact O-N 3.17Å; E98-Y134 HydrophobicContact CB-CE1 3.88Å; E98-Y134 VanDerWaalsContact OE2-CE1 3.23Å; E98-Y134 WeakPolarHBondContact OE2-CE1 3.39Å; E98-K141 IonicContact OE2-NZ 3.85Å; E98-K141 PolarHBondContact OE2-NZ 2.94Å |
| 99 | I | 75.6 | Confident | 64.7 | Low | 64 Ų | 64 | 81.4 Ų | 81.4 | 33% | 0.328 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.8 | 179.5 | -47.5 | 173.4 | 0 | 0 | 0 | 107.5 | E101 M118 M131 | I99-E101 HydrophobicContact CG2-CG 4.13Å; I99-E101 PolarHBondContact O-N 2.73Å; I99-M118 HydrophobicContact CD1-CE 3.47Å; I99-M118 VanDerWaalsContact CD1-CE 3.47Å; I99-M118 HydrophobicContact CD1-SD 4.16Å; I99-M118 HydrophobicContact CG1-CE 3.99Å; I99-M131 HydrophobicContact CG1-CG 4.44Å |
| 100 | V | 68.2 | Low | 63.1 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 10% | 0.103 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 96.5 | 173 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | K130 V132 M178 A181 | V100-K130 PolarHBondContact N-O 2.9Å; V100-V132 HydrophobicContact CG2-CG2 4.34Å; V100-M178 HydrophobicContact CG2-SD 4.45Å; V100-A181 HydrophobicContact CG2-CB 3.52Å |
| 101 | E | 61.9 | Low | 61.2 | Low | 152 Ų | 152 | 88 Ų | 88 | 71% | 0.71 | 47% | 0.467 | S | S | * | . | trans | -84.5 | 118.7 | 169.7 | -67.6 | 179.3 | -174.6 | 0 | 0 | 109.1 | I99 | I99-E101 HydrophobicContact CG2-CG 4.13Å; I99-E101 PolarHBondContact O-N 2.73Å | ||
| 102 | T | 52.9 | Low | 59.1 | Low | 77 Ų | 77 | 91.8 Ų | 91.8 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | trans | -89 | 0.4 | -179.6 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | E174 | T102-E174 HydrophobicContact CG2-CG 4.47Š| ||
| 103 | A | 44.9 | Very low | 56.9 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 66% | 0.661 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -77.2 | 131 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C105 | A103-C105 PolarHBondContact O-N 2.73Š|
| 104 | N | 38 | Very low | 54.5 | Low | 157 Ų | 157 | 94.7 Ų | 94.7 | 84% | 0.84 | 51% | 0.507 | S | S | * | . | trans | -52.7 | 100.6 | -175 | -160.8 | -12.1 | 0 | 0 | 0 | 113.9 | ||||
| 105 | C | 37.5 | Very low | 52.5 | Low | 108 Ų | 108 | 90.7 Ų | 90.7 | 73% | 0.73 | 49% | 0.486 | S | S | * | . | trans | -149.3 | 122.9 | 178.4 | -95.4 | 0 | 0 | 0 | 0 | 112 | A103 K107 | A103-C105 PolarHBondContact O-N 2.73Å; C105-K107 PolarHBondContact O-N 3.17Å | ||
| 106 | N | 34.2 | Very low | 50.3 | Low | 170 Ų | 170 | 93.2 Ų | 93.2 | 91% | 0.909 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -75.6 | 44.7 | -175.9 | -77.6 | -27.9 | 0 | 0 | 0 | 114.7 | ||
| 107 | K | 35.6 | Very low | 48.1 | Very low | 173 Ų | 173 | 97.8 Ų | 97.8 | 75% | 0.752 | 52% | 0.522 | S | S | * | . | trans | -144.2 | 115.6 | 168.8 | -73.4 | -174 | 178.2 | 176 | 0 | 110 | C105 S109 | C105-K107 PolarHBondContact O-N 3.17Å; K107-S109 PolarHBondContact O-N 3.22Å | ||
| 108 | H | 37.2 | Very low | 46.2 | Very low | 155 Ų | 155 | 97.8 Ų | 97.8 | 72% | 0.718 | 52% | 0.521 | S | S | * | . | trans | -72.3 | 66.4 | 169.8 | -66.2 | -64.4 | 0 | 0 | 0 | 111.7 | Y110 | H108-Y110 HydrophobicContact CB-CE2 3.94Å; H108-Y110 PolarHBondContact O-N 3.2Å | ||
| 109 | S | 34.4 | Very low | 44.4 | Very low | 89 Ų | 89 | 101.2 Ų | 101.2 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | trans | -90.7 | 83.1 | 175.8 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | K107 V111 | K107-S109 PolarHBondContact O-N 3.22Å; S109-V111 WeakPolarHBondContact O-CG2 3.27Å; S109-V111 PolarHBondContact O-N 3.17Å | ||
| 110 | Y | 40.1 | Very low | 42.8 | Very low | 139 Ų | 139 | 102.5 Ų | 102.5 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | trans | -65.1 | 115.5 | 169.7 | -56 | -90.7 | 0 | 0 | 0 | 109.7 | H108 | H108-Y110 HydrophobicContact CB-CE2 3.94Å; H108-Y110 PolarHBondContact O-N 3.2Å | ||
| 111 | V | 41.6 | Very low | 41.4 | Very low | 97 Ų | 97 | 107.3 Ų | 107.3 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | trans | -107.2 | 79.9 | -178 | -163.4 | 0 | 0 | 0 | 0 | 111.1 | S109 K113 | S109-V111 WeakPolarHBondContact O-CG2 3.27Å; S109-V111 PolarHBondContact O-N 3.17Å; V111-K113 HydrophobicContact CG1-CD 4.43Å; V111-K113 VanDerWaalsContact CG1-CE 3.48Å; V111-K113 HydrophobicContact CG1-CG 4.17Å; V111-K113 PolarHBondContact O-N 3.35Å | ||
| 112 | Q | 40.9 | Very low | 40.1 | Very low | 147 Ų | 147 | 104.8 Ų | 104.8 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | trans | -64.6 | 118.4 | 175.4 | -167.8 | 177.3 | 12.7 | 0 | 0 | 110.5 | V96 | V96-Q112 HydrophobicContact CG1-CG 3.99Š| ||
| 113 | K | 40.6 | Very low | 39.2 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.2 | -180 | -66.8 | 178.6 | -172.3 | 170.6 | 0 | 111.3 | V111 | V111-K113 HydrophobicContact CG1-CD 4.43Å; V111-K113 VanDerWaalsContact CG1-CE 3.48Å; V111-K113 HydrophobicContact CG1-CG 4.17Å; V111-K113 PolarHBondContact O-N 3.35Å |
| 114 | S | 39.7 | Very low | 38.3 | Very low | 78 Ų | 78 | 112.5 Ų | 112.5 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.9 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 111 | S116 F117 | S114-S116 PolarHBondContact O-N 2.87Å; S114-S116 VanDerWaalsContact O-N 3.09Å; S114-F117 PolarHBondContact O-N 3.36Å |
| 115 | A | 44.9 | Very low | 38.1 | Very low | 5 Ų | 5 | 109.3 Ų | 109.3 | 4% | 0.041 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -56.5 | -29.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V97 F117 M118 L119 | V97-A115 HydrophobicContact CG2-CB 3.98Å; A115-F117 VanDerWaalsContact C-N 3.26Å; A115-F117 PolarHBondContact O-N 2.91Å; A115-M118 PolarHBondContact O-N 3.09Å; A115-L119 PolarHBondContact O-N 3.31Å |
| 116 | S | 41.7 | Very low | 38 | Very low | 59 Ų | 59 | 113.3 Ų | 113.3 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.2 | -28.5 | -175.4 | 63 | 0 | 0 | 0 | 0 | 114.4 | E79 S114 | E79-S116 WeakPolarHBondContact OE1-CB 3.43Å; S114-S116 PolarHBondContact O-N 2.87Å; S114-S116 VanDerWaalsContact O-N 3.09Å |
| 117 | F | 40 | Very low | 38.2 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -78.1 | -43.2 | -179.9 | -160 | -92.3 | 0 | 0 | 0 | 111.8 | S114 A115 S120 | S114-F117 PolarHBondContact O-N 3.36Å; A115-F117 VanDerWaalsContact C-N 3.26Å; A115-F117 PolarHBondContact O-N 2.91Å; F117-S120 PolarHBondContact O-N 3.06Å; F117-S120 PolarHBondContact O-OG 3.19Å |
| 118 | M | 40.9 | Very low | 38.6 | Very low | 23 Ų | 23 | 111.6 Ų | 111.6 | 11% | 0.113 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -70 | -45.2 | -171.5 | -73.2 | -75.7 | -76.6 | 0 | 0 | 113.3 | I99 A115 S120 Q121 M122 M131 | I99-M118 HydrophobicContact CD1-CE 3.47Å; I99-M118 VanDerWaalsContact CD1-CE 3.47Å; I99-M118 HydrophobicContact CD1-SD 4.16Å; I99-M118 HydrophobicContact CG1-CE 3.99Å; A115-M118 PolarHBondContact O-N 3.09Å; M118-S120 PolarHBondContact O-N 3.09Å; M118-Q121 PolarHBondContact O-N 3.32Å; M118-M122 HydrophobicContact CE-CE 3.54Å; M118-M122 HydrophobicContact CE-CG 4.48Å; M118-M122 HydrophobicContact CE-SD 3.64Å; M118-M122 WeakPolarHBondContact O-CG 3.48Å; M118-M122 PolarHBondContact O-N 3.3Å; M118-M122 VanDerWaalsContact O-N 3.1Å; M118-M131 HydrophobicContact CE-SD 3.94Å |
| 119 | L | 41.8 | Very low | 39.4 | Very low | 119 Ų | 119 | 105.8 Ų | 105.8 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.7 | -16.8 | -179 | -84.7 | 164.7 | 0 | 0 | 0 | 113.9 | A115 | A115-L119 PolarHBondContact O-N 3.31Å |
| 120 | S | 41 | Very low | 40.8 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -85.1 | -29.5 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 114 | F117 M118 | F117-S120 PolarHBondContact O-N 3.06Å; F117-S120 PolarHBondContact O-OG 3.19Å; M118-S120 PolarHBondContact O-N 3.09Å |
| 121 | Q | 40 | Very low | 42.3 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -96.8 | -26.3 | -176.2 | -66.9 | -170.1 | -25.5 | 0 | 0 | 113.2 | M118 K123 C124 | M118-Q121 PolarHBondContact O-N 3.32Å; Q121-K123 PolarHBondContact O-N 2.89Å; Q121-C124 PolarHBondContact O-N 2.95Å |
| 122 | M | 34.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 101.9 Ų | 101.9 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 24 | -173.2 | -71.5 | -166.9 | 130 | 0 | 0 | 116.6 | M118 C124 M131 | M118-M122 HydrophobicContact CE-CE 3.54Å; M118-M122 HydrophobicContact CE-CG 4.48Å; M118-M122 HydrophobicContact CE-SD 3.64Å; M118-M122 WeakPolarHBondContact O-CG 3.48Å; M118-M122 PolarHBondContact O-N 3.3Å; M118-M122 VanDerWaalsContact O-N 3.1Å; M122-C124 VanDerWaalsContact C-N 3.33Å; M122-M131 HydrophobicContact CE-CE 3.63Å; M122-M131 HydrophobicContact CE-SD 3.59Å; M122-M131 VanDerWaalsContact CE-SD 3.59Å; M122-M131 HydrophobicContact SD-CE 3.59Å; M122-M131 VanDerWaalsContact SD-CE 3.59Å; M122-M131 HydrophobicContact SD-SD 3.58Å |
| 123 | K | 33.4 | Very low | 46.2 | Very low | 202 Ų | 202 | 96.4 Ų | 96.4 | 88% | 0.878 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.3 | 158.3 | -81.7 | -165 | 170.3 | -169.6 | 0 | 113.3 | Q121 | Q121-K123 PolarHBondContact O-N 2.89Š|
| 124 | C | 27.3 | Very low | 48.5 | Very low | 117 Ų | 117 | 93 Ų | 93 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -141 | 58.3 | -172.9 | -61.5 | 0 | 0 | 0 | 0 | 114.6 | Q121 M122 | Q121-C124 PolarHBondContact O-N 2.95Å; M122-C124 VanDerWaalsContact C-N 3.33Å |
| 125 | S | 33.6 | Very low | 50.9 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 63% | 0.629 | 48% | 0.477 | S | S | * | . | trans | -169.7 | 127.4 | 149.1 | -164.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 126 | E | 34.3 | Very low | 52.9 | Low | 192 Ų | 192 | 92 Ų | 92 | 90% | 0.897 | 49% | 0.492 | S | S | * | . | trans | -87.8 | 128.3 | 154.2 | -67.2 | 172 | 132.4 | 0 | 0 | 107.1 | ||||
| 127 | N | 39.3 | Very low | 55 | Low | 140 Ų | 140 | 89.3 Ų | 89.3 | 75% | 0.749 | 47% | 0.473 | S | S | * | . | trans | -169.4 | 141.4 | 171 | -100.6 | -36.2 | 0 | 0 | 0 | 107.8 | G129 | N127-G129 PolarHBondContact O-N 3.29Š| ||
| 128 | D | 44.5 | Very low | 57.1 | Low | 167 Ų | 167 | 84.3 Ų | 84.3 | 89% | 0.893 | 45% | 0.451 | S | S | * | . | trans | -74.5 | 29.3 | -161.3 | -68.4 | -59.5 | 0 | 0 | 0 | 117.3 | K130 | D128-K130 PolarHBondContact O-N 3.48Š| ||
| 129 | G | 52.3 | Low | 59.2 | Low | 34 Ų | 34 | 85.3 Ų | 85.3 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | trans | -71.2 | 106.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | N127 M131 | N127-G129 PolarHBondContact O-N 3.29Å; G129-M131 PolarHBondContact O-N 2.91Å; G129-M131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | K | 65.1 | Low | 61.2 | Low | 142 Ų | 142 | 79.7 Ų | 79.7 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 113 | 174.2 | -73.1 | 176.3 | -176.6 | 165.5 | 0 | 109.8 | V100 D128 M178 | V100-K130 PolarHBondContact N-O 2.9Å; D128-K130 PolarHBondContact O-N 3.48Å; K130-M178 HydrophobicContact CB-SD 4.46Å; K130-M178 HydrophobicContact CD-CE 4.48Å; K130-M178 HydrophobicContact CD-SD 4.1Å |
| 131 | M | 71.8 | Confident | 63.4 | Low | 95 Ų | 95 | 76.3 Ų | 76.3 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135 | 174.9 | -72.1 | -172.6 | -75.1 | 0 | 0 | 111.8 | V97 E98 I99 M118 M122 G129 | V97-M131 HydrophobicContact CG1-CB 4.37Å; V97-M131 HydrophobicContact CG1-CG 4.38Å; V97-M131 HydrophobicContact CG1-SD 4.02Å; E98-M131 CarbonylContact O-C 3.53Å; E98-M131 WeakPolarHBondContact O-CA 3.26Å; I99-M131 HydrophobicContact CG1-CG 4.44Å; M118-M131 HydrophobicContact CE-SD 3.94Å; M122-M131 HydrophobicContact CE-CE 3.63Å; M122-M131 HydrophobicContact CE-SD 3.59Å; M122-M131 VanDerWaalsContact CE-SD 3.59Å; M122-M131 HydrophobicContact SD-CE 3.59Å; M122-M131 VanDerWaalsContact SD-CE 3.59Å; M122-M131 HydrophobicContact SD-SD 3.58Å; G129-M131 PolarHBondContact O-N 2.91Å; G129-M131 VanDerWaalsContact O-N 3.15Å |
| 132 | V | 79.1 | Confident | 65.7 | Low | 6 Ų | 6 | 70.9 Ų | 70.9 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.7 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | E98 V100 Y134 V143 M178 A181 L182 | E98-V132 PolarHBondContact N-O 2.95Å; E98-V132 PolarHBondContact O-N 3.17Å; V100-V132 HydrophobicContact CG2-CG2 4.34Å; V132-Y134 HydrophobicContact CG1-CD1 4.3Å; V132-V143 HydrophobicContact CG1-CG1 3.85Å; V132-V143 HydrophobicContact CG1-CG2 4.42Å; V132-M178 HydrophobicContact CG2-CE 4.25Å; V132-A181 HydrophobicContact CG2-CB 4.4Å; V132-L182 HydrophobicContact CG1-CD2 4.21Å; V132-L182 HydrophobicContact CG2-CD2 4.33Å |
| 133 | C | 85.1 | Confident | 68.2 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 22% | 0.216 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.2 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | V95 V96 V97 W144 | V95-C133 VanDerWaalsContact CG1-SG 3.53Å; V96-C133 WeakPolarHBondContact O-CA 3.26Å; V97-C133 HydrophobicContact CG2-CB 4.38Å; C133-W144 HydrophobicContact CB-CB 4.03Å; C133-W144 PolarHBondContact O-N 2.91Å |
| 134 | Y | 88.8 | Confident | 70.7 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 166.6 | -175 | 70.2 | -89.4 | 0 | 0 | 0 | 114.4 | V96 E98 V132 V136 K141 H142 | V96-Y134 HydrophobicContact CB-CD1 4.31Å; V96-Y134 HydrophobicContact CB-CD2 4.41Å; V96-Y134 HydrophobicContact CB-CE1 3.89Å; V96-Y134 HydrophobicContact CB-CE2 4.01Å; V96-Y134 HydrophobicContact CG1-CE1 3.74Å; V96-Y134 HydrophobicContact CG1-CE2 4.4Å; V96-Y134 HydrophobicContact CG2-CE2 4.36Å; V96-Y134 PolarHBondContact N-O 3.05Å; V96-Y134 PolarHBondContact O-N 2.96Å; E98-Y134 HydrophobicContact CB-CE1 3.88Å; E98-Y134 VanDerWaalsContact OE2-CE1 3.23Å; E98-Y134 WeakPolarHBondContact OE2-CE1 3.39Å; V132-Y134 HydrophobicContact CG1-CD1 4.3Å; Y134-V136 HydrophobicContact CD2-CG2 4.02Å; Y134-V136 HydrophobicContact CE2-CG2 3.93Å; Y134-K141 HydrophobicContact CD2-CD 4Å; Y134-K141 VanDerWaalsContact CD2-CE 3.46Å; Y134-K141 HydrophobicContact CD2-CG 3.67Å; Y134-K141 HydrophobicContact CE2-CD 4.14Å; Y134-K141 HydrophobicContact CE2-CG 4.25Å; Y134-K141 HydrophobicContact CG-CD 4.22Å; Y134-K141 HydrophobicContact CG-CG 3.96Å; Y134-K141 VanDerWaalsContact CZ-CE 3.5Å; Y134-H142 CarbonylContact C-O 3.51Å; Y134-H142 WeakPolarHBondContact CA-O 3.35Å; Y134-H142 WeakPolarHBondContact CB-O 3.41Å |
| 135 | F | 89.9 | Confident | 73.3 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 165.3 | 159.3 | 67.9 | -87.4 | 0 | 0 | 0 | 110.4 | I20 V30 I81 V83 H93 H137 H142 F151 | I20-F135 HydrophobicContact CD1-CZ 4.22Å; V30-F135 HydrophobicContact CG1-CZ 4.43Å; I81-F135 HydrophobicContact CD1-CD1 3.54Å; I81-F135 HydrophobicContact CD1-CE1 3.79Å; I81-F135 HydrophobicContact CD1-CG 4.23Å; V83-F135 HydrophobicContact CG2-CE2 4.04Å; H93-F135 HydrophobicContact CB-CB 4.31Å; H93-F135 HydrophobicContact CB-CD2 4.27Å; F135-H137 HydrophobicContact CD2-CB 4.12Å; F135-H137 HydrophobicContact CE2-CB 3.82Å; F135-H142 HydrophobicContact CD1-CB 4.14Å; F135-H142 HydrophobicContact CD2-CB 4.42Å; F135-H142 HydrophobicContact CE1-CB 3.8Å; F135-H142 HydrophobicContact CE2-CB 4.08Å; F135-H142 HydrophobicContact CG-CB 4.45Å; F135-H142 HydrophobicContact CZ-CB 3.76Å; F135-H142 AromaticContact CZ-CG 3.94Å; F135-H142 PolarHBondContact N-O 3.43Å; F135-H142 PolarHBondContact O-N 2.72Å; F135-F151 AromaticContact CD1-CD1 3.8Å; F135-F151 HydrophobicContact CD1-CD1 3.8Å; F135-F151 HydrophobicContact CD1-CD2 4.36Å; F135-F151 AromaticContact CD1-CE1 4Å; F135-F151 HydrophobicContact CD1-CE1 4Å; F135-F151 AromaticContact CD1-CG 4Å; F135-F151 HydrophobicContact CD1-CG 4Å; F135-F151 HydrophobicContact CD1-CZ 4.36Å; F135-F151 HydrophobicContact CE1-CB 3.69Å; F135-F151 AromaticContact CE1-CD1 3.8Å; F135-F151 HydrophobicContact CE1-CD1 3.8Å; F135-F151 AromaticContact CE1-CD2 3.9Å; F135-F151 HydrophobicContact CE1-CD2 3.9Å; F135-F151 HydrophobicContact CE1-CE1 4.38Å; F135-F151 HydrophobicContact CE1-CE2 4.47Å; F135-F151 AromaticContact CE1-CG 3.53Å; F135-F151 HydrophobicContact CE1-CG 3.53Å; F135-F151 HydrophobicContact CZ-CB 4.47Å |
| 136 | V | 87.4 | Confident | 75.4 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 109.4 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | H93 Y134 L140 K141 | H93-V136 VanDerWaalsContact CE1-C 3.43Å; H93-V136 PolarHBondContact CE1-O 3.18Å; H93-V136 PolarHBondContact ND1-O 3.16Å; H93-V136 PolarHBondContact NE2-O 3.23Å; H93-V136 VanDerWaalsContact NE2-O 3.15Å; Y134-V136 HydrophobicContact CD2-CG2 4.02Å; Y134-V136 HydrophobicContact CE2-CG2 3.93Å; V136-L140 WeakPolarHBondContact CA-O 3.49Å; V136-K141 HydrophobicContact CG2-CB 4.46Å |
| 137 | H | 86 | Confident | 77.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.8 | 177.3 | -174.2 | 71.2 | 0 | 0 | 0 | 110.4 | E22 V83 Y91 H93 F135 C139 L140 | E22-H137 IonicContact OE1-CD2 3.33Å; E22-H137 PolarHBondContact OE1-CD2 2.94Å; E22-H137 VanDerWaalsContact OE1-CD2 3.31Å; E22-H137 IonicContact OE1-NE2 2.78Å; E22-H137 PolarHBondContact OE1-NE2 3.26Å; V83-H137 VanDerWaalsContact CG1-CE1 3.48Å; V83-H137 WeakPolarHBondContact CG1-CE1 3.21Å; Y91-H137 AromaticContact CD2-CE1 3.62Å; Y91-H137 AromaticContact CG-CE1 3.7Å; H93-H137 AromaticContact CD2-ND1 3.63Å; H93-H137 AromaticContact NE2-ND1 3.88Å; F135-H137 HydrophobicContact CD2-CB 4.12Å; F135-H137 HydrophobicContact CE2-CB 3.82Å; H137-C139 PolarHBondContact O-N 2.92Å; H137-C139 VanDerWaalsContact O-N 3.09Å; H137-L140 PolarHBondContact N-O 2.93Å; H137-L140 WeakPolarHBondContact O-CB 3.32Å; H137-L140 PolarHBondContact O-N 3.43Å |
| 138 | K | 82.5 | Confident | 79.3 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 43.2 | -174.5 | -63 | 169.1 | -172.6 | 155.7 | 0 | 113.1 | E22 D85 L140 R382 F386 | E22-K138 VanDerWaalsContact OE1-CD 3.31Å; E22-K138 WeakPolarHBondContact OE1-CD 3.38Å; E22-K138 WeakPolarHBondContact OE1-CE 3.38Å; E22-K138 IonicContact OE1-NZ 2.63Å; E22-K138 PolarHBondContact OE1-NZ 2.78Å; E22-K138 IonicContact OE2-NZ 2.67Å; E22-K138 PolarHBondContact OE2-NZ 2.88Å; D85-K138 IonicContact OD2-NZ 2.62Å; D85-K138 PolarHBondContact OD2-NZ 3.14Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.29Å; K138-R382 HydrophobicContact CB-CG 4.19Å; K138-R382 WeakPolarHBondContact O-CD 3.32Å; K138-R382 WeakPolarHBondContact O-CG 3.11Å; K138-F386 HydrophobicContact CB-CD2 3.85Å; K138-F386 HydrophobicContact CB-CE2 4.02Å; K138-F386 HydrophobicContact CB-CG 4.3Å; K138-F386 HydrophobicContact CG-CB 4.38Å; K138-F386 HydrophobicContact CG-CD1 4.32Å; K138-F386 HydrophobicContact CG-CD2 4.07Å; K138-F386 HydrophobicContact CG-CE2 4.49Å; K138-F386 HydrophobicContact CG-CG 3.98Å |
| 139 | C | 85.5 | Confident | 81 | Confident | 43 Ų | 43 | 48 Ų | 48 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 8.5 | -175.5 | -56.4 | 0 | 0 | 0 | 0 | 117.4 | H137 F373 | H137-C139 PolarHBondContact O-N 2.92Å; H137-C139 VanDerWaalsContact O-N 3.09Å; C139-F373 HydrophobicContact CB-CB 4.25Å; C139-F373 HydrophobicContact CB-CD1 3.61Å; C139-F373 HydrophobicContact CB-CD2 3.71Å; C139-F373 HydrophobicContact CB-CE1 3.76Å; C139-F373 HydrophobicContact CB-CE2 3.86Å; C139-F373 HydrophobicContact CB-CG 3.58Å; C139-F373 HydrophobicContact CB-CZ 3.89Å |
| 140 | L | 85.1 | Confident | 82.4 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.1 | 173.2 | -61.6 | 175.6 | 0 | 0 | 0 | 111.6 | L23 V136 H137 K138 H142 L153 F373 Y374 | L23-L140 HydrophobicContact CD1-CD1 4.02Å; L23-L140 HydrophobicContact CD1-CD2 4.2Å; V136-L140 WeakPolarHBondContact CA-O 3.49Å; H137-L140 PolarHBondContact N-O 2.93Å; H137-L140 WeakPolarHBondContact O-CB 3.32Å; H137-L140 PolarHBondContact O-N 3.43Å; K138-L140 VanDerWaalsContact C-N 3.27Å; K138-L140 PolarHBondContact O-N 3.29Å; L140-H142 PolarHBondContact O-N 2.96Å; L140-H142 PolarHBondContact O-ND1 2.91Å; L140-L153 HydrophobicContact CB-CD2 3.84Å; L140-L153 HydrophobicContact CD1-CD1 4.37Å; L140-L153 HydrophobicContact CD1-CD2 4.17Å; L140-F373 HydrophobicContact CD2-CB 4.44Å; L140-Y374 HydrophobicContact CD2-CD1 3.96Å; L140-Y374 HydrophobicContact CD2-CE1 3.87Å; L140-Y374 HydrophobicContact CD2-CG 4.48Å |
| 141 | K | 87.2 | Confident | 83.3 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 107.9 | 176.4 | -169.9 | 167.1 | -179.3 | 172.4 | 0 | 109 | E98 Y134 V136 V143 P154 A181 Y374 | E98-K141 IonicContact OE2-NZ 3.85Å; E98-K141 PolarHBondContact OE2-NZ 2.94Å; Y134-K141 HydrophobicContact CD2-CD 4Å; Y134-K141 VanDerWaalsContact CD2-CE 3.46Å; Y134-K141 HydrophobicContact CD2-CG 3.67Å; Y134-K141 HydrophobicContact CE2-CD 4.14Å; Y134-K141 HydrophobicContact CE2-CG 4.25Å; Y134-K141 HydrophobicContact CG-CD 4.22Å; Y134-K141 HydrophobicContact CG-CG 3.96Å; Y134-K141 VanDerWaalsContact CZ-CE 3.5Å; V136-K141 HydrophobicContact CG2-CB 4.46Å; K141-V143 HydrophobicContact CG-CG2 4.22Å; K141-P154 WeakPolarHBondContact O-CD 3.1Å; K141-A181 VanDerWaalsContact CE-O 3.3Å; K141-A181 WeakPolarHBondContact CE-O 3.4Å; K141-A181 PolarHBondContact NZ-O 2.96Å; K141-Y374 PolarHBondContact N-OH 2.83Å; K141-Y374 VanDerWaalsContact N-OH 3.11Å; K141-Y374 PolarHBondContact O-OH 3.19Å |
| 142 | H | 86.8 | Confident | 83.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 116.7 | 176.7 | -67.8 | 67.2 | 0 | 0 | 0 | 108.3 | Y134 F135 L140 E152 | Y134-H142 CarbonylContact C-O 3.51Å; Y134-H142 WeakPolarHBondContact CA-O 3.35Å; Y134-H142 WeakPolarHBondContact CB-O 3.41Å; F135-H142 HydrophobicContact CD1-CB 4.14Å; F135-H142 HydrophobicContact CD2-CB 4.42Å; F135-H142 HydrophobicContact CE1-CB 3.8Å; F135-H142 HydrophobicContact CE2-CB 4.08Å; F135-H142 HydrophobicContact CG-CB 4.45Å; F135-H142 HydrophobicContact CZ-CB 3.76Å; F135-H142 AromaticContact CZ-CG 3.94Å; F135-H142 PolarHBondContact N-O 3.43Å; F135-H142 PolarHBondContact O-N 2.72Å; L140-H142 PolarHBondContact O-N 2.96Å; L140-H142 PolarHBondContact O-ND1 2.91Å; H142-E152 CarbonylContact C-O 3Å; H142-E152 WeakPolarHBondContact CA-O 3.45Å |
| 143 | V | 86.9 | Confident | 83.9 | Confident | 19 Ų | 19 | 46 Ų | 46 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144.1 | -171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | V132 K141 D145 F151 E152 L182 | V132-V143 HydrophobicContact CG1-CG1 3.85Å; V132-V143 HydrophobicContact CG1-CG2 4.42Å; K141-V143 HydrophobicContact CG-CG2 4.22Å; V143-D145 PolarHBondContact O-N 3.37Å; V143-F151 WeakPolarHBondContact O-CA 3.5Å; V143-E152 PolarHBondContact N-O 3.26Å; V143-E152 PolarHBondContact O-N 2.89Å; V143-L182 HydrophobicContact CG1-CD2 4.2Å |
| 144 | W | 85.8 | Confident | 83.4 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 114.5 | 175.5 | -176.7 | -96.2 | 0 | 0 | 0 | 111.8 | L75 I76 C133 N149 F151 | L75-W144 HydrophobicContact CB-CH2 4.17Å; L75-W144 HydrophobicContact CB-CZ3 3.75Å; I76-W144 HydrophobicContact CB-CH2 3.8Å; I76-W144 HydrophobicContact CB-CZ2 3.53Å; I76-W144 HydrophobicContact CD1-CZ2 3.81Å; I76-W144 HydrophobicContact CG1-CH2 4.42Å; I76-W144 HydrophobicContact CG1-CZ2 3.69Å; C133-W144 HydrophobicContact CB-CB 4.03Å; C133-W144 PolarHBondContact O-N 2.91Å; W144-N149 HydrophobicContact CH2-CB 4.18Å; W144-N149 WeakPolarHBondContact CH2-O 3.49Å; W144-N149 VanDerWaalsContact CZ2-C 3.44Å; W144-N149 VanDerWaalsContact CZ2-CA 3.41Å; W144-N149 HydrophobicContact CZ2-CB 3.79Å; W144-F151 HydrophobicContact CB-CD1 4.09Å; W144-F151 HydrophobicContact CB-CE1 3.89Å; W144-F151 HydrophobicContact CE3-CD1 4.12Å; W144-F151 AromaticContact CE3-CD2 3.59Å; W144-F151 HydrophobicContact CE3-CD2 3.59Å; W144-F151 HydrophobicContact CE3-CE1 4.07Å; W144-F151 AromaticContact CE3-CE2 3.53Å; W144-F151 HydrophobicContact CE3-CE2 3.53Å; W144-F151 AromaticContact CE3-CG 3.88Å; W144-F151 HydrophobicContact CE3-CG 3.88Å; W144-F151 AromaticContact CE3-CZ 3.78Å; W144-F151 HydrophobicContact CE3-CZ 3.78Å; W144-F151 AromaticContact CZ3-CD2 3.84Å; W144-F151 HydrophobicContact CZ3-CD2 3.84Å; W144-F151 AromaticContact CZ3-CE2 3.84Å; W144-F151 HydrophobicContact CZ3-CE2 3.84Å; W144-F151 HydrophobicContact CZ3-CG 4.48Å; W144-F151 HydrophobicContact CZ3-CZ 4.49Å |
| 145 | D | 82 | Confident | 82.4 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.1 | 166.5 | -169.3 | -17.5 | 0 | 0 | 0 | 109.6 | V143 K147 I148 N149 R150 | V143-D145 PolarHBondContact O-N 3.37Å; D145-K147 PolarHBondContact O-N 3.48Å; D145-K147 VanDerWaalsContact OD1-CB 3.25Å; D145-K147 WeakPolarHBondContact OD1-CB 3.48Å; D145-K147 WeakPolarHBondContact OD1-CG 3.1Å; D145-K147 PolarHBondContact OD1-N 2.96Å; D145-I148 HydrophobicContact CB-CB 4.41Å; D145-I148 HydrophobicContact CB-CG1 4.45Å; D145-I148 PolarHBondContact O-N 2.86Å; D145-N149 WeakPolarHBondContact O-CA 3.36Å; D145-N149 PolarHBondContact O-N 3.25Å; D145-R150 PolarHBondContact N-O 3.38Å |
| 146 | S | 79 | Confident | 81.1 | Confident | 92 Ų | 92 | 51.2 Ų | 51.2 | 64% | 0.643 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.1 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | N149 | S146-N149 PolarHBondContact O-ND2 3.44Š|
| 147 | K | 77.2 | Confident | 79.7 | Confident | 182 Ų | 182 | 50.1 Ų | 50.1 | 79% | 0.791 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -40.3 | 174.8 | -58.2 | 171.6 | -176.6 | 173.2 | 0 | 111.5 | D145 | D145-K147 PolarHBondContact O-N 3.48Å; D145-K147 VanDerWaalsContact OD1-CB 3.25Å; D145-K147 WeakPolarHBondContact OD1-CB 3.48Å; D145-K147 WeakPolarHBondContact OD1-CG 3.1Å; D145-K147 PolarHBondContact OD1-N 2.96Å |
| 148 | I | 77.2 | Confident | 78.2 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -19.8 | -175.1 | -51 | 177 | 0 | 0 | 0 | 111 | D145 R150 E152 | D145-I148 HydrophobicContact CB-CB 4.41Å; D145-I148 HydrophobicContact CB-CG1 4.45Å; D145-I148 PolarHBondContact O-N 2.86Å; I148-R150 VanDerWaalsContact C-N 3.35Å; I148-R150 HydrophobicContact CB-CB 4.48Å; I148-R150 HydrophobicContact CG2-CB 4.03Å; I148-R150 HydrophobicContact CG2-CG 4.01Å; I148-E152 WeakPolarHBondContact CD1-OE2 3.35Å |
| 149 | N | 79.6 | Confident | 77.1 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 46.5 | -172.5 | -67.6 | -83 | 0 | 0 | 0 | 112.3 | W144 D145 S146 | W144-N149 HydrophobicContact CH2-CB 4.18Å; W144-N149 WeakPolarHBondContact CH2-O 3.49Å; W144-N149 VanDerWaalsContact CZ2-C 3.44Å; W144-N149 VanDerWaalsContact CZ2-CA 3.41Å; W144-N149 HydrophobicContact CZ2-CB 3.79Å; D145-N149 WeakPolarHBondContact O-CA 3.36Å; D145-N149 PolarHBondContact O-N 3.25Å; S146-N149 PolarHBondContact O-ND2 3.44Å |
| 150 | R | 83 | Confident | 76.2 | Confident | 131 Ų | 131 | 56.6 Ų | 56.6 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.2 | -176.9 | -74.5 | -172.2 | -177.4 | -169.3 | -4.4 | 110.7 | D145 I148 E152 | D145-R150 PolarHBondContact N-O 3.38Å; I148-R150 VanDerWaalsContact C-N 3.35Å; I148-R150 HydrophobicContact CB-CB 4.48Å; I148-R150 HydrophobicContact CG2-CB 4.03Å; I148-R150 HydrophobicContact CG2-CG 4.01Å; R150-E152 HydrophobicContact CB-CG 4.28Å |
| 151 | F | 84.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.7 | 165.6 | -74.1 | -78.4 | 0 | 0 | 0 | 109.2 | Q18 I20 L75 I81 V95 F135 V143 W144 | Q18-F151 PolarHBondContact NE2-O 2.91Å; I20-F151 HydrophobicContact CD1-CB 4.21Å; I20-F151 WeakPolarHBondContact CD1-O 3.4Å; L75-F151 HydrophobicContact CB-CD2 4.43Å; L75-F151 HydrophobicContact CB-CE2 4.19Å; I81-F151 HydrophobicContact CD1-CD2 4.07Å; I81-F151 HydrophobicContact CD1-CE2 3.53Å; I81-F151 HydrophobicContact CD1-CZ 3.89Å; V95-F151 HydrophobicContact CG1-CZ 4.38Å; F135-F151 AromaticContact CD1-CD1 3.8Å; F135-F151 HydrophobicContact CD1-CD1 3.8Å; F135-F151 HydrophobicContact CD1-CD2 4.36Å; F135-F151 AromaticContact CD1-CE1 4Å; F135-F151 HydrophobicContact CD1-CE1 4Å; F135-F151 AromaticContact CD1-CG 4Å; F135-F151 HydrophobicContact CD1-CG 4Å; F135-F151 HydrophobicContact CD1-CZ 4.36Å; F135-F151 HydrophobicContact CE1-CB 3.69Å; F135-F151 AromaticContact CE1-CD1 3.8Å; F135-F151 HydrophobicContact CE1-CD1 3.8Å; F135-F151 AromaticContact CE1-CD2 3.9Å; F135-F151 HydrophobicContact CE1-CD2 3.9Å; F135-F151 HydrophobicContact CE1-CE1 4.38Å; F135-F151 HydrophobicContact CE1-CE2 4.47Å; F135-F151 AromaticContact CE1-CG 3.53Å; F135-F151 HydrophobicContact CE1-CG 3.53Å; F135-F151 HydrophobicContact CZ-CB 4.47Å; V143-F151 WeakPolarHBondContact O-CA 3.5Å; W144-F151 HydrophobicContact CB-CD1 4.09Å; W144-F151 HydrophobicContact CB-CE1 3.89Å; W144-F151 HydrophobicContact CE3-CD1 4.12Å; W144-F151 AromaticContact CE3-CD2 3.59Å; W144-F151 HydrophobicContact CE3-CD2 3.59Å; W144-F151 HydrophobicContact CE3-CE1 4.07Å; W144-F151 AromaticContact CE3-CE2 3.53Å; W144-F151 HydrophobicContact CE3-CE2 3.53Å; W144-F151 AromaticContact CE3-CG 3.88Å; W144-F151 HydrophobicContact CE3-CG 3.88Å; W144-F151 AromaticContact CE3-CZ 3.78Å; W144-F151 HydrophobicContact CE3-CZ 3.78Å; W144-F151 AromaticContact CZ3-CD2 3.84Å; W144-F151 HydrophobicContact CZ3-CD2 3.84Å; W144-F151 AromaticContact CZ3-CE2 3.84Å; W144-F151 HydrophobicContact CZ3-CE2 3.84Å; W144-F151 HydrophobicContact CZ3-CG 4.48Å; W144-F151 HydrophobicContact CZ3-CZ 4.49Å |
| 152 | E | 81.3 | Confident | 74.5 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 165.1 | 179.8 | -64.5 | -173.3 | 176.2 | 0 | 0 | 110 | H142 V143 I148 R150 | H142-E152 CarbonylContact C-O 3Å; H142-E152 WeakPolarHBondContact CA-O 3.45Å; V143-E152 PolarHBondContact N-O 3.26Å; V143-E152 PolarHBondContact O-N 2.89Å; I148-E152 WeakPolarHBondContact CD1-OE2 3.35Å; R150-E152 HydrophobicContact CB-CG 4.28Å |
| 153 | L | 81.3 | Confident | 73.7 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | trans | -73.9 | 139.9 | 169.9 | -65.4 | 173.2 | 0 | 0 | 0 | 108.6 | L23 L140 R155 Y374 | L23-L153 HydrophobicContact CD1-CD1 4.45Å; L23-L153 HydrophobicContact CG-CD1 4Å; L140-L153 HydrophobicContact CB-CD2 3.84Å; L140-L153 HydrophobicContact CD1-CD1 4.37Å; L140-L153 HydrophobicContact CD1-CD2 4.17Å; L153-R155 PolarHBondContact O-N 2.94Å; L153-Y374 HydrophobicContact CD2-CE1 4.36Å | ||
| 154 | P | 75.2 | Confident | 73.1 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | trans | -59.9 | 126.1 | 178.1 | 24.8 | -33.9 | 0 | 0 | 0 | 110.2 | K141 G156 Y183 Y374 | K141-P154 WeakPolarHBondContact O-CD 3.1Å; P154-G156 PolarHBondContact O-N 3.07Å; P154-Y183 HydrophobicContact CB-CD1 4.15Å; P154-Y183 HydrophobicContact CB-CE1 3.7Å; P154-Y183 HydrophobicContact CG-CD1 3.81Å; P154-Y183 HydrophobicContact CG-CE1 3.78Å; P154-Y374 HydrophobicContact CG-CE1 4.35Å | ||
| 155 | R | 66.7 | Low | 72.6 | Confident | 140 Ų | 140 | 64 Ų | 64 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | trans | -52.2 | 106.1 | -173.7 | -66.2 | 172 | 179.4 | -113 | 1.2 | 111.4 | L153 E159 Y183 | L153-R155 PolarHBondContact O-N 2.94Å; R155-E159 WeakPolarHBondContact CD-OE2 3.33Å; R155-E159 VanDerWaalsContact CG-OE2 3.31Å; R155-E159 WeakPolarHBondContact CG-OE2 3.38Å; R155-E159 IonicContact CZ-OE2 3.95Å; R155-E159 IonicContact NE-OE2 2.82Å; R155-E159 IonicContact NH1-OE2 3.2Å; R155-E159 PolarHBondContact NH1-OE2 2.7Å; R155-Y183 PolarHBondContact O-OH 2.71Å | ||
| 156 | G | 62.5 | Low | 72.4 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | trans | -75 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P154 H158 E159 | P154-G156 PolarHBondContact O-N 3.07Å; G156-H158 VanDerWaalsContact CA-CE1 3.48Å; G156-H158 WeakPolarHBondContact CA-CE1 3.25Å; G156-H158 PolarHBondContact O-N 3.03Å; G156-E159 PolarHBondContact O-N 3.48Å | ||
| 157 | W | 58.6 | Low | 72.3 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 18.2 | -179.9 | -75.4 | 61.3 | 0 | 0 | 0 | 115.1 | T160 I165 I302 F337 V367 A369 | W157-T160 WeakPolarHBondContact CA-OG1 3.39Å; W157-T160 PolarHBondContact O-OG1 2.93Å; W157-I165 HydrophobicContact CE3-CD1 4.15Å; W157-I165 HydrophobicContact CE3-CG1 3.86Å; W157-I165 HydrophobicContact CE3-CG2 4.43Å; W157-I165 HydrophobicContact CZ3-CB 4.22Å; W157-I165 HydrophobicContact CZ3-CG1 3.82Å; W157-I165 HydrophobicContact CZ3-CG2 4.09Å; W157-I302 HydrophobicContact CE3-CD1 4.22Å; W157-F337 WeakPolarHBondContact O-CD1 3.47Å; W157-V367 HydrophobicContact CH2-CG2 3.66Å; W157-V367 HydrophobicContact CZ2-CG2 4.29Å; W157-V367 HydrophobicContact CZ3-CG1 4.07Å; W157-V367 HydrophobicContact CZ3-CG2 3.92Å; W157-A369 HydrophobicContact CB-CB 3.91Å; W157-A369 HydrophobicContact CG-CB 4.09Å |
| 158 | H | 54.4 | Low | 72.5 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 36% | 0.356 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -9.4 | 169.7 | 45.1 | -85 | 0 | 0 | 0 | 113.1 | G156 F337 | G156-H158 VanDerWaalsContact CA-CE1 3.48Å; G156-H158 WeakPolarHBondContact CA-CE1 3.25Å; G156-H158 PolarHBondContact O-N 3.03Å; H158-F337 VanDerWaalsContact CA-O 3.27Å; H158-F337 WeakPolarHBondContact CA-O 3.49Å |
| 159 | E | 59.2 | Low | 72.8 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -107.4 | -4.8 | 173.4 | -63.3 | -169.9 | 175.7 | 0 | 0 | 113.8 | R155 G156 L336 | R155-E159 WeakPolarHBondContact CD-OE2 3.33Å; R155-E159 VanDerWaalsContact CG-OE2 3.31Å; R155-E159 WeakPolarHBondContact CG-OE2 3.38Å; R155-E159 IonicContact CZ-OE2 3.95Å; R155-E159 IonicContact NE-OE2 2.82Å; R155-E159 IonicContact NH1-OE2 3.2Å; R155-E159 PolarHBondContact NH1-OE2 2.7Å; G156-E159 PolarHBondContact O-N 3.48Å; E159-L336 WeakPolarHBondContact O-CD2 3.49Å |
| 160 | T | 66.6 | Low | 73.1 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -76.3 | 149 | 175.4 | 32.5 | 0 | 0 | 0 | 0 | 111.9 | W157 F337 | W157-T160 WeakPolarHBondContact CA-OG1 3.39Å; W157-T160 PolarHBondContact O-OG1 2.93Å; T160-F337 PolarHBondContact O-N 2.91Å |
| 161 | A | 65.1 | Low | 73.3 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -77.2 | 143 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E163 E164 I165 | A161-E163 PolarHBondContact O-N 3.47Å; A161-E163 VanDerWaalsContact O-N 3.11Å; A161-E164 WeakPolarHBondContact O-CB 3.41Å; A161-E164 PolarHBondContact O-N 2.83Å; A161-I165 PolarHBondContact O-N 3.22Å |
| 162 | Y | 70.8 | Confident | 73.5 | Confident | 13 Ų | 13 | 55 Ų | 55 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -54.4 | -35.3 | -177.5 | -153.1 | -81.3 | 0 | 0 | 0 | 113.7 | I165 L166 L327 T328 T335 F337 H342 | Y162-I165 PolarHBondContact O-N 2.99Å; Y162-L166 HydrophobicContact CD1-CD1 3.8Å; Y162-L166 HydrophobicContact CD1-CG 4.46Å; Y162-L166 HydrophobicContact CE1-CD1 3.97Å; Y162-L166 PolarHBondContact O-N 3.49Å; Y162-L327 HydrophobicContact CD1-CD2 4.18Å; Y162-L327 HydrophobicContact CE1-CD1 4.18Å; Y162-L327 HydrophobicContact CE1-CD2 3.84Å; Y162-L327 HydrophobicContact CE1-CG 3.7Å; Y162-L327 HydrophobicContact CE2-CD1 3.92Å; Y162-L327 HydrophobicContact CE2-CD2 4.37Å; Y162-L327 HydrophobicContact CE2-CG 4.3Å; Y162-L327 VanDerWaalsContact OH-CD1 3.27Å; Y162-L327 WeakPolarHBondContact OH-CD1 3.42Å; Y162-T328 WeakPolarHBondContact CE1-O 3.12Å; Y162-T328 PolarHBondContact OH-O 3.05Å; Y162-T335 WeakPolarHBondContact CB-O 3.41Å; Y162-T335 PolarHBondContact N-O 3.31Å; Y162-F337 HydrophobicContact CD2-CD2 4.21Å; Y162-F337 HydrophobicContact CE2-CD2 4.28Å; Y162-H342 AromaticContact CE2-CD2 3.96Å; Y162-H342 AromaticContact CE2-NE2 3.68Å |
| 163 | E | 70.6 | Confident | 73.6 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -33.2 | 177.7 | -66.6 | 166.2 | -107.2 | 0 | 0 | 112.8 | A161 L166 D167 K333 G334 | A161-E163 PolarHBondContact O-N 3.47Å; A161-E163 VanDerWaalsContact O-N 3.11Å; E163-L166 PolarHBondContact O-N 3.46Å; E163-D167 PolarHBondContact O-N 3.44Å; E163-D167 VanDerWaalsContact O-N 3.09Å; E163-K333 WeakPolarHBondContact OE1-CA 3.47Å; E163-K333 VanDerWaalsContact OE1-CB 3.29Å; E163-K333 WeakPolarHBondContact OE1-CB 3.4Å; E163-K333 WeakPolarHBondContact OE1-CG 3.39Å; E163-K333 IonicContact OE2-NZ 2.66Å; E163-K333 PolarHBondContact OE2-NZ 3.31Å; E163-G334 PolarHBondContact OE1-N 2.95Å |
| 164 | E | 73.8 | Confident | 73.7 | Confident | 120 Ų | 120 | 59 Ų | 59 | 56% | 0.561 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -75.1 | -25.9 | -179 | -170.4 | 175.7 | -162.8 | 0 | 0 | 112.3 | A161 | A161-E164 WeakPolarHBondContact O-CB 3.41Å; A161-E164 PolarHBondContact O-N 2.83Å |
| 165 | I | 76.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.5 | -36.8 | 174.1 | -55.9 | -178.6 | 0 | 0 | 0 | 110.5 | W157 A161 Y162 S168 I302 L327 F337 V367 | W157-I165 HydrophobicContact CE3-CD1 4.15Å; W157-I165 HydrophobicContact CE3-CG1 3.86Å; W157-I165 HydrophobicContact CE3-CG2 4.43Å; W157-I165 HydrophobicContact CZ3-CB 4.22Å; W157-I165 HydrophobicContact CZ3-CG1 3.82Å; W157-I165 HydrophobicContact CZ3-CG2 4.09Å; A161-I165 PolarHBondContact O-N 3.22Å; Y162-I165 PolarHBondContact O-N 2.99Å; I165-S168 VanDerWaalsContact O-CB 3.27Å; I165-S168 WeakPolarHBondContact O-CB 3.48Å; I165-S168 PolarHBondContact O-OG 2.97Å; I165-I302 HydrophobicContact CD1-CD1 4.07Å; I165-I302 HydrophobicContact CG2-CD1 3.94Å; I165-I302 HydrophobicContact CG2-CG2 4.24Å; I165-L327 HydrophobicContact CB-CD2 4.33Å; I165-L327 HydrophobicContact CG2-CD2 3.88Å; I165-F337 HydrophobicContact CD1-CB 3.51Å; I165-F337 HydrophobicContact CD1-CD1 4Å; I165-F337 HydrophobicContact CD1-CD2 3.94Å; I165-F337 HydrophobicContact CD1-CG 3.55Å; I165-V367 HydrophobicContact CG2-CG1 3.99Å |
| 166 | L | 77.2 | Confident | 75 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 29% | 0.293 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.4 | -41.6 | -178.8 | -68.7 | 169.5 | 0 | 0 | 0 | 112.8 | Y162 E163 S168 L327 | Y162-L166 HydrophobicContact CD1-CD1 3.8Å; Y162-L166 HydrophobicContact CD1-CG 4.46Å; Y162-L166 HydrophobicContact CE1-CD1 3.97Å; Y162-L166 PolarHBondContact O-N 3.49Å; E163-L166 PolarHBondContact O-N 3.46Å; L166-S168 PolarHBondContact O-N 2.99Å; L166-L327 HydrophobicContact CD2-CB 4.04Å; L166-L327 HydrophobicContact CD2-CD2 4.02Å; L166-L327 HydrophobicContact CD2-CG 4.21Å; L166-L327 WeakPolarHBondContact CD2-O 3.39Å; L166-L327 HydrophobicContact CG-CD2 4.22Å |
| 167 | D | 76.7 | Confident | 76.1 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 56% | 0.556 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 30.1 | 173.5 | -172 | 32.4 | 0 | 0 | 0 | 112.2 | E163 K169 | E163-D167 PolarHBondContact O-N 3.44Å; E163-D167 VanDerWaalsContact O-N 3.09Å; D167-K169 WeakPolarHBondContact OD1-CE 3.38Å; D167-K169 IonicContact OD1-NZ 3.31Å; D167-K169 PolarHBondContact OD1-NZ 3.42Å; D167-K169 IonicContact OD2-NZ 2.7Å; D167-K169 PolarHBondContact OD2-NZ 3.39Å |
| 168 | S | 81.1 | Confident | 77.3 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | trans | -67.4 | 136.6 | 178.3 | 52.5 | 0 | 0 | 0 | 0 | 111 | I165 L166 | I165-S168 VanDerWaalsContact O-CB 3.27Å; I165-S168 WeakPolarHBondContact O-CB 3.48Å; I165-S168 PolarHBondContact O-OG 2.97Å; L166-S168 PolarHBondContact O-N 2.99Å | ||
| 169 | K | 83.5 | Confident | 78.8 | Confident | 115 Ų | 115 | 55.2 Ų | 55.2 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | trans | -120.9 | 152.1 | -172.1 | -78.6 | 148.6 | -170.4 | 147.8 | 0 | 110.5 | D167 L171 | D167-K169 WeakPolarHBondContact OD1-CE 3.38Å; D167-K169 IonicContact OD1-NZ 3.31Å; D167-K169 PolarHBondContact OD1-NZ 3.42Å; D167-K169 IonicContact OD2-NZ 2.7Å; D167-K169 PolarHBondContact OD2-NZ 3.39Å; K169-L171 PolarHBondContact O-N 2.88Å | ||
| 170 | P | 86 | Confident | 80.1 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 134.6 | 176.7 | 22.3 | -33.2 | 0 | 0 | 0 | 110.4 | Y265 K272 | P170-Y265 HydrophobicContact CB-CD1 3.74Å; P170-Y265 HydrophobicContact CB-CE1 3.93Å; P170-Y265 HydrophobicContact CB-CG 4.16Å; P170-Y265 WeakPolarHBondContact CB-O 3.3Å; P170-Y265 HydrophobicContact CG-CD1 3.98Å; P170-Y265 HydrophobicContact CG-CE1 3.64Å; P170-K272 HydrophobicContact CG-CB 4.41Å; P170-K272 HydrophobicContact CG-CD 3.72Å; P170-K272 HydrophobicContact CG-CG 3.85Å |
| 171 | L | 88 | Confident | 80.9 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.1 | -177.3 | -62 | -174.4 | 0 | 0 | 0 | 111.7 | K169 T175 V176 E267 V283 G285 | K169-L171 PolarHBondContact O-N 2.88Å; L171-T175 HydrophobicContact CD2-CG2 4.07Å; L171-V176 HydrophobicContact CB-CG2 3.69Å; L171-V176 HydrophobicContact CD1-CG2 4.15Å; L171-E267 PolarHBondContact O-N 2.91Å; L171-V283 HydrophobicContact CD1-CG2 3.92Å; L171-G285 VanDerWaalsContact CD1-C 3.5Å; L171-G285 WeakPolarHBondContact CG-O 3.1Å |
| 172 | N | 87.8 | Confident | 81.8 | Confident | 71 Ų | 71 | 52 Ų | 52 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 150.2 | 167.6 | -59 | 60 | 0 | 0 | 0 | 110.6 | E174 T175 V176 E267 | N172-E174 VanDerWaalsContact C-N 3.29Å; N172-E174 PolarHBondContact O-N 2.93Å; N172-E174 VanDerWaalsContact O-N 3.16Å; N172-T175 WeakPolarHBondContact O-CB 3.46Å; N172-T175 PolarHBondContact O-N 3.14Å; N172-V176 PolarHBondContact O-N 3.07Å; N172-V176 VanDerWaalsContact O-N 3.08Å; N172-E267 WeakPolarHBondContact CA-O 3.38Å; N172-E267 PolarHBondContact ND2-OE1 3.11Å |
| 173 | N | 84.7 | Confident | 82.4 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.3 | -37.3 | -177.4 | -83.9 | -27.9 | 0 | 0 | 0 | 114.8 | T175 V176 L177 | N173-T175 PolarHBondContact O-N 2.96Å; N173-V176 PolarHBondContact O-N 2.84Å; N173-L177 WeakPolarHBondContact O-CG 3.15Å; N173-L177 PolarHBondContact O-N 2.86Å |
| 174 | E | 81.9 | Confident | 83.2 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | 175.4 | -64.1 | -168.9 | 162.9 | 0 | 0 | 112.5 | T102 N172 L177 M178 | T102-E174 HydrophobicContact CG2-CG 4.47Å; N172-E174 VanDerWaalsContact C-N 3.29Å; N172-E174 PolarHBondContact O-N 2.93Å; N172-E174 VanDerWaalsContact O-N 3.16Å; E174-L177 PolarHBondContact O-N 3.33Å; E174-M178 PolarHBondContact O-N 2.95Å |
| 175 | T | 84.8 | Confident | 83.8 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 37% | 0.368 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 177.8 | -51.2 | 0 | 0 | 0 | 0 | 111 | L171 N172 N173 L177 M178 N179 | L171-T175 HydrophobicContact CD2-CG2 4.07Å; N172-T175 WeakPolarHBondContact O-CB 3.46Å; N172-T175 PolarHBondContact O-N 3.14Å; N173-T175 PolarHBondContact O-N 2.96Å; T175-L177 VanDerWaalsContact C-N 3.35Å; T175-M178 PolarHBondContact O-N 3.03Å; T175-N179 WeakPolarHBondContact O-CB 3.48Å; T175-N179 PolarHBondContact O-N 3.42Å |
| 176 | V | 86 | Confident | 84.5 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L171 N172 N173 R180 V283 | L171-V176 HydrophobicContact CB-CG2 3.69Å; L171-V176 HydrophobicContact CD1-CG2 4.15Å; N172-V176 PolarHBondContact O-N 3.07Å; N172-V176 VanDerWaalsContact O-N 3.08Å; N173-V176 PolarHBondContact O-N 2.84Å; V176-R180 VanDerWaalsContact O-CB 3.26Å; V176-R180 WeakPolarHBondContact O-CB 3.29Å; V176-R180 PolarHBondContact O-N 3.09Å; V176-V283 HydrophobicContact CB-CG2 4.5Å; V176-V283 HydrophobicContact CG1-CG2 4.14Å; V176-V283 HydrophobicContact CG2-CG2 4.46Å |
| 177 | L | 85.8 | Confident | 84.9 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.6 | -71.2 | 170.3 | 0 | 0 | 0 | 112.1 | N173 E174 T175 R180 A181 | N173-L177 WeakPolarHBondContact O-CG 3.15Å; N173-L177 PolarHBondContact O-N 2.86Å; E174-L177 PolarHBondContact O-N 3.33Å; T175-L177 VanDerWaalsContact C-N 3.35Å; L177-R180 PolarHBondContact O-N 2.71Å; L177-A181 PolarHBondContact O-N 3.15Å |
| 178 | M | 83.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.8 | -171.6 | 70.5 | -163.3 | 0 | 0 | 111.9 | V100 K130 V132 E174 T175 R180 A181 L182 | V100-M178 HydrophobicContact CG2-SD 4.45Å; K130-M178 HydrophobicContact CB-SD 4.46Å; K130-M178 HydrophobicContact CD-CE 4.48Å; K130-M178 HydrophobicContact CD-SD 4.1Å; V132-M178 HydrophobicContact CG2-CE 4.25Å; E174-M178 PolarHBondContact O-N 2.95Å; T175-M178 PolarHBondContact O-N 3.03Å; M178-R180 VanDerWaalsContact C-N 3.34Å; M178-R180 PolarHBondContact O-N 3.24Å; M178-A181 WeakPolarHBondContact O-CB 3.44Å; M178-A181 PolarHBondContact O-N 3.18Å; M178-L182 HydrophobicContact CE-CD1 4.12Å; M178-L182 HydrophobicContact CE-CD2 4.29Å; M178-L182 HydrophobicContact CE-CG 4.19Å; M178-L182 HydrophobicContact CG-CD1 4.44Å; M178-L182 WeakPolarHBondContact O-CG 3.43Å; M178-L182 PolarHBondContact O-N 3.07Å |
| 179 | N | 85.2 | Confident | 84.9 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.4 | -72.5 | 3.8 | 0 | 0 | 0 | 111.3 | T175 A181 L182 Y183 V283 P284 | T175-N179 WeakPolarHBondContact O-CB 3.48Å; T175-N179 PolarHBondContact O-N 3.42Å; N179-A181 VanDerWaalsContact C-N 3.34Å; N179-L182 PolarHBondContact O-N 3.49Å; N179-Y183 HydrophobicContact CB-CD2 4.26Å; N179-Y183 VanDerWaalsContact O-CD2 3.3Å; N179-Y183 WeakPolarHBondContact O-CD2 3.32Å; N179-Y183 PolarHBondContact O-N 3.33Å; N179-V283 HydrophobicContact CB-CB 3.92Å; N179-V283 HydrophobicContact CB-CG1 4.37Å; N179-V283 HydrophobicContact CB-CG2 4.02Å; N179-P284 PolarHBondContact ND2-O 2.85Å |
| 180 | R | 86.5 | Confident | 84.4 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 15% | 0.151 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 171.4 | -173.7 | 173.3 | -68.4 | 156.4 | 4.9 | 112.2 | V176 L177 M178 L182 G184 M185 S281 V283 | V176-R180 VanDerWaalsContact O-CB 3.26Å; V176-R180 WeakPolarHBondContact O-CB 3.29Å; V176-R180 PolarHBondContact O-N 3.09Å; L177-R180 PolarHBondContact O-N 2.71Å; M178-R180 VanDerWaalsContact C-N 3.34Å; M178-R180 PolarHBondContact O-N 3.24Å; R180-L182 VanDerWaalsContact C-N 3.34Å; R180-G184 WeakPolarHBondContact O-CA 3.35Å; R180-G184 PolarHBondContact O-N 3.12Å; R180-M185 VanDerWaalsContact CD-SD 3.54Å; R180-M185 HydrophobicContact CG-SD 4.02Å; R180-S281 PolarHBondContact NH2-O 3.17Å; R180-V283 HydrophobicContact CB-CG1 3.98Å |
| 181 | A | 83.5 | Confident | 84 | Confident | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -31 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V100 V132 K141 L177 M178 N179 | V100-A181 HydrophobicContact CG2-CB 3.52Å; V132-A181 HydrophobicContact CG2-CB 4.4Å; K141-A181 VanDerWaalsContact CE-O 3.3Å; K141-A181 WeakPolarHBondContact CE-O 3.4Å; K141-A181 PolarHBondContact NZ-O 2.96Å; L177-A181 PolarHBondContact O-N 3.15Å; M178-A181 WeakPolarHBondContact O-CB 3.44Å; M178-A181 PolarHBondContact O-N 3.18Å; N179-A181 VanDerWaalsContact C-N 3.34Å |
| 182 | L | 83.8 | Confident | 83.6 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -81.3 | -49 | 177.6 | -69 | 172.6 | 0 | 0 | 0 | 113.5 | V132 V143 M178 N179 R180 | V132-L182 HydrophobicContact CG1-CD2 4.21Å; V132-L182 HydrophobicContact CG2-CD2 4.33Å; V143-L182 HydrophobicContact CG1-CD2 4.2Å; M178-L182 HydrophobicContact CE-CD1 4.12Å; M178-L182 HydrophobicContact CE-CD2 4.29Å; M178-L182 HydrophobicContact CE-CG 4.19Å; M178-L182 HydrophobicContact CG-CD1 4.44Å; M178-L182 WeakPolarHBondContact O-CG 3.43Å; M178-L182 PolarHBondContact O-N 3.07Å; N179-L182 PolarHBondContact O-N 3.49Å; R180-L182 VanDerWaalsContact C-N 3.34Å |
| 183 | Y | 83.5 | Confident | 83.4 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -97 | -22.9 | -172.5 | -62.4 | -74.8 | 0 | 0 | 0 | 114.3 | P154 R155 N179 P284 | P154-Y183 HydrophobicContact CB-CD1 4.15Å; P154-Y183 HydrophobicContact CB-CE1 3.7Å; P154-Y183 HydrophobicContact CG-CD1 3.81Å; P154-Y183 HydrophobicContact CG-CE1 3.78Å; R155-Y183 PolarHBondContact O-OH 2.71Å; N179-Y183 HydrophobicContact CB-CD2 4.26Å; N179-Y183 VanDerWaalsContact O-CD2 3.3Å; N179-Y183 WeakPolarHBondContact O-CD2 3.32Å; N179-Y183 PolarHBondContact O-N 3.33Å; Y183-P284 HydrophobicContact CD1-CG 4.15Å; Y183-P284 HydrophobicContact CD2-CB 4.35Å; Y183-P284 HydrophobicContact CD2-CG 3.69Å; Y183-P284 HydrophobicContact CE1-CG 4.34Å; Y183-P284 HydrophobicContact CE2-CB 4.14Å; Y183-P284 HydrophobicContact CE2-CG 3.91Å; Y183-P284 HydrophobicContact CG-CG 3.82Å |
| 184 | G | 86.4 | Confident | 83.6 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | trans | 89.1 | -164.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R180 | R180-G184 WeakPolarHBondContact O-CA 3.35Å; R180-G184 PolarHBondContact O-N 3.12Å | ||
| 185 | M | 88.1 | Confident | 83.9 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | trans | -86 | 152.1 | 175.1 | -61.9 | -70.9 | -103.9 | 0 | 0 | 110.6 | R180 E187 I280 | R180-M185 VanDerWaalsContact CD-SD 3.54Å; R180-M185 HydrophobicContact CG-SD 4.02Å; M185-E187 PolarHBondContact O-N 3.11Å; M185-I280 HydrophobicContact CB-CG2 4.2Å; M185-I280 HydrophobicContact CE-CG2 4.04Å | ||
| 186 | N | 89.5 | Confident | 84.2 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.07 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -80.5 | 58.4 | 175.9 | -173.8 | 49.1 | 0 | 0 | 0 | 111.8 | S279 I280 L282 Q298 T371 G372 | N186-S279 WeakPolarHBondContact CB-O 3.03Å; N186-S279 PolarHBondContact ND2-O 3.02Å; N186-I280 PolarHBondContact N-O 2.98Å; N186-L282 HydrophobicContact CB-CB 4.21Å; N186-Q298 PolarHBondContact ND2-O 2.71Å; N186-Q298 PolarHBondContact OD1-O 3.13Å; N186-T371 HydrophobicContact CB-CG2 3.97Å; N186-T371 WeakPolarHBondContact OD1-CA 3.08Å; N186-T371 WeakPolarHBondContact OD1-CB 3.49Å; N186-G372 PolarHBondContact OD1-N 3.4Å |
| 187 | E | 86 | Confident | 84.3 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | trans | -128.2 | 129.5 | 175.3 | -164.8 | -162 | 153.2 | 0 | 0 | 110.4 | M185 S189 I280 | M185-E187 PolarHBondContact O-N 3.11Å; E187-S189 VanDerWaalsContact CD-CB 3.48Å; E187-S189 PolarHBondContact O-N 3.04Å; E187-S189 WeakPolarHBondContact OE1-CB 3.31Å; E187-I280 HydrophobicContact CB-CG1 4.5Å; E187-I280 HydrophobicContact CB-CG2 4.33Å | ||
| 188 | I | 81.5 | Confident | 84.3 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | trans | -80.4 | 68.7 | 166.7 | -56.3 | 179 | 0 | 0 | 0 | 107.6 | I190 C257 F373 K377 V381 | I188-I190 PolarHBondContact O-N 3.33Å; I188-C257 PolarHBondContact O-SG 3.32Å; I188-F373 HydrophobicContact CB-CZ 4.46Å; I188-F373 HydrophobicContact CG2-CD1 4.36Å; I188-F373 HydrophobicContact CG2-CE1 3.7Å; I188-F373 HydrophobicContact CG2-CE2 4.47Å; I188-F373 HydrophobicContact CG2-CZ 3.77Å; I188-K377 HydrophobicContact CD1-CG 4.05Å; I188-V381 HydrophobicContact CG2-CB 4.08Å; I188-V381 HydrophobicContact CG2-CG1 3.73Å; I188-V381 HydrophobicContact CG2-CG2 4.29Å | ||
| 189 | S | 76.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | trans | -77.8 | 101.7 | -172.6 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | E187 N191 | E187-S189 VanDerWaalsContact CD-CB 3.48Å; E187-S189 PolarHBondContact O-N 3.04Å; E187-S189 WeakPolarHBondContact OE1-CB 3.31Å; S189-N191 PolarHBondContact O-N 2.95Å | ||
| 190 | I | 74.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | trans | -85.6 | 113.5 | 174.5 | -53.2 | -174.7 | 0 | 0 | 0 | 108.5 | I188 L192 L252 K253 M256 V381 L385 | I188-I190 PolarHBondContact O-N 3.33Å; I190-L192 PolarHBondContact O-N 3.48Å; I190-L192 VanDerWaalsContact O-N 3.15Å; I190-L252 HydrophobicContact CD1-CD2 3.49Å; I190-L252 VanDerWaalsContact CD1-CD2 3.49Å; I190-L252 HydrophobicContact CG2-CD2 4.34Å; I190-K253 HydrophobicContact CB-CB 4.46Å; I190-K253 HydrophobicContact CB-CG 4.42Å; I190-K253 WeakPolarHBondContact O-CD 3.3Å; I190-K253 PolarHBondContact O-NZ 3.1Å; I190-M256 HydrophobicContact CD1-CB 3.85Å; I190-M256 HydrophobicContact CD1-CG 4.05Å; I190-V381 HydrophobicContact CD1-CG1 4.08Å; I190-L385 HydrophobicContact CD1-CD1 4.32Å; I190-L385 HydrophobicContact CD1-CD2 4.37Å; I190-L385 HydrophobicContact CG1-CD1 4.37Å; I190-L385 HydrophobicContact CG2-CD2 4.28Å | ||
| 191 | N | 77.1 | Confident | 84.6 | Confident | 142 Ų | 142 | 61.6 Ų | 61.6 | 76% | 0.759 | 32% | 0.323 | S | S | * | . | trans | -78.6 | 98.4 | -177.9 | -83.9 | -33.1 | 0 | 0 | 0 | 110.9 | S189 T193 | S189-N191 PolarHBondContact O-N 2.95Å; N191-T193 PolarHBondContact O-N 3.41Å | ||
| 192 | L | 79.5 | Confident | 84.6 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 116.9 | 171.1 | -73.4 | -177.2 | 0 | 0 | 0 | 110.1 | I190 E249 R250 K253 | I190-L192 PolarHBondContact O-N 3.48Å; I190-L192 VanDerWaalsContact O-N 3.15Å; L192-E249 HydrophobicContact CD2-CB 3.89Å; L192-R250 HydrophobicContact CD2-CG 4.41Å; L192-K253 HydrophobicContact CD1-CD 4.05Å; L192-K253 HydrophobicContact CD2-CB 4.27Å; L192-K253 HydrophobicContact CD2-CD 4.27Å; L192-K253 HydrophobicContact CG-CD 3.79Å |
| 193 | T | 83.4 | Confident | 84.7 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 160.4 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | N191 L198 R246 E249 | N191-T193 PolarHBondContact O-N 3.41Å; T193-L198 HydrophobicContact CG2-CD2 4.33Å; T193-L198 WeakPolarHBondContact OG1-CD1 3.37Å; T193-L198 VanDerWaalsContact OG1-CD2 3.23Å; T193-L198 WeakPolarHBondContact OG1-CD2 3.34Å; T193-L198 WeakPolarHBondContact OG1-CG 3.49Å; T193-R246 PolarHBondContact O-NH1 3.13Å; T193-R246 PolarHBondContact O-NH2 3.18Å; T193-E249 WeakPolarHBondContact CB-OE1 3.3Å; T193-E249 VanDerWaalsContact CG2-OE1 3.29Å; T193-E249 WeakPolarHBondContact CG2-OE1 3.42Å; T193-E249 PolarHBondContact N-OE1 3.07Å; T193-E249 VanDerWaalsContact OG1-CD 3.26Å; T193-E249 PolarHBondContact OG1-OE1 3.42Å; T193-E249 PolarHBondContact OG1-OE2 3.47Å |
| 194 | S | 88.5 | Confident | 84.9 | Confident | 65 Ų | 65 | 64 Ų | 64 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 146.2 | 173.7 | 74.9 | 0 | 0 | 0 | 0 | 110.3 | I196 R197 L198 | S194-I196 PolarHBondContact O-N 3.45Å; S194-R197 WeakPolarHBondContact O-CA 3.19Å; S194-R197 WeakPolarHBondContact O-CB 3.4Å; S194-R197 PolarHBondContact O-N 2.98Å; S194-R197 WeakPolarHBondContact OG-CB 3.4Å; S194-R197 PolarHBondContact OG-N 3.49Å; S194-R197 VanDerWaalsContact OG-N 3.1Å; S194-L198 PolarHBondContact O-N 3.09Å |
| 195 | I | 89.5 | Confident | 84.6 | Confident | 98 Ų | 98 | 66.8 Ų | 66.8 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 179.3 | -62.1 | 172.4 | 0 | 0 | 0 | 110.6 | L198 L199 V242 R246 | I195-L198 PolarHBondContact O-N 3.46Å; I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.19Å; I195-L199 PolarHBondContact O-N 3.34Å; I195-V242 HydrophobicContact CG2-CG1 4.18Å; I195-R246 HydrophobicContact CG1-CG 4.4Å |
| 196 | I | 90.2 | Very high | 84.2 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 64% | 0.641 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 174.4 | -60.5 | 172 | 0 | 0 | 0 | 110.7 | S194 L199 L200 | S194-I196 PolarHBondContact O-N 3.45Å; I196-L199 PolarHBondContact O-N 3.11Å; I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CB 3.34Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.46Å; I196-L200 PolarHBondContact O-N 2.98Å |
| 197 | R | 88.8 | Confident | 83.6 | Confident | 149 Ų | 149 | 65.3 Ų | 65.3 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.5 | -46 | 176.3 | 179.1 | 171.2 | 178.5 | 169.5 | 2.2 | 112 | S194 L199 L200 D201 | S194-R197 WeakPolarHBondContact O-CA 3.19Å; S194-R197 WeakPolarHBondContact O-CB 3.4Å; S194-R197 PolarHBondContact O-N 2.98Å; S194-R197 WeakPolarHBondContact OG-CB 3.4Å; S194-R197 PolarHBondContact OG-N 3.49Å; S194-R197 VanDerWaalsContact OG-N 3.1Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.04Å; R197-L200 PolarHBondContact O-N 3.34Å; R197-L200 VanDerWaalsContact O-N 3.16Å; R197-D201 VanDerWaalsContact CG-OD2 3.26Å; R197-D201 WeakPolarHBondContact CG-OD2 3.39Å; R197-D201 IonicContact NE-OD2 3.91Å; R197-D201 PolarHBondContact NE-OD2 2.92Å; R197-D201 WeakPolarHBondContact O-CB 3.23Å; R197-D201 VanDerWaalsContact O-CG 3.26Å; R197-D201 PolarHBondContact O-N 3.41Å |
| 198 | L | 85.4 | Confident | 83.5 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174.1 | -70.3 | 179.2 | 0 | 0 | 0 | 111.9 | T193 S194 I195 E202 V242 L245 R246 | T193-L198 HydrophobicContact CG2-CD2 4.33Å; T193-L198 WeakPolarHBondContact OG1-CD1 3.37Å; T193-L198 VanDerWaalsContact OG1-CD2 3.23Å; T193-L198 WeakPolarHBondContact OG1-CD2 3.34Å; T193-L198 WeakPolarHBondContact OG1-CG 3.49Å; S194-L198 PolarHBondContact O-N 3.09Å; I195-L198 PolarHBondContact O-N 3.46Å; L198-E202 WeakPolarHBondContact O-CB 3.2Å; L198-E202 PolarHBondContact O-N 2.92Å; L198-E202 VanDerWaalsContact O-N 3.08Å; L198-V242 HydrophobicContact CB-CG1 3.96Å; L198-V242 HydrophobicContact CD1-CG1 4.44Å; L198-L245 HydrophobicContact CD2-CD2 3.81Å; L198-L245 HydrophobicContact CD2-CG 4.36Å; L198-R246 HydrophobicContact CD1-CB 4.1Å |
| 199 | L | 89.7 | Confident | 83.6 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.366 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 177 | -173.2 | 70.8 | 0 | 0 | 0 | 111.7 | I195 I196 R197 C203 L238 V242 | I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.19Å; I195-L199 PolarHBondContact O-N 3.34Å; I196-L199 PolarHBondContact O-N 3.11Å; R197-L199 VanDerWaalsContact C-N 3.27Å; R197-L199 PolarHBondContact O-N 3.04Å; L199-C203 WeakPolarHBondContact O-CB 3.44Å; L199-C203 PolarHBondContact O-N 3.14Å; L199-C203 PolarHBondContact O-SG 3.45Å; L199-L238 HydrophobicContact CD1-CD1 4.44Å; L199-L238 HydrophobicContact CD1-CD2 3.62Å; L199-L238 HydrophobicContact CD1-CG 3.82Å; L199-V242 HydrophobicContact CD1-CG2 4.25Å |
| 200 | L | 88.9 | Confident | 84 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.1 | -48.4 | 176.5 | -73.8 | 169.7 | 0 | 0 | 0 | 112.2 | I196 R197 E202 C203 L204 | I196-L200 HydrophobicContact CG2-CD1 4.08Å; I196-L200 WeakPolarHBondContact O-CB 3.34Å; I196-L200 VanDerWaalsContact O-CG 3.3Å; I196-L200 WeakPolarHBondContact O-CG 3.46Å; I196-L200 PolarHBondContact O-N 2.98Å; R197-L200 PolarHBondContact O-N 3.34Å; R197-L200 VanDerWaalsContact O-N 3.16Å; L200-E202 PolarHBondContact O-N 3.03Å; L200-C203 PolarHBondContact O-N 2.93Å; L200-L204 VanDerWaalsContact O-CB 3.25Å; L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 WeakPolarHBondContact O-CD1 3.19Å; L200-L204 WeakPolarHBondContact O-CG 3.44Å; L200-L204 PolarHBondContact O-N 3.31Å |
| 201 | D | 83.1 | Confident | 84.5 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | -177.8 | -69.2 | -15.2 | 0 | 0 | 0 | 110.7 | H59 R197 | H59-D201 IonicContact NE2-OD1 2.74Å; R197-D201 VanDerWaalsContact CG-OD2 3.26Å; R197-D201 WeakPolarHBondContact CG-OD2 3.39Å; R197-D201 IonicContact NE-OD2 3.91Å; R197-D201 PolarHBondContact NE-OD2 2.92Å; R197-D201 WeakPolarHBondContact O-CB 3.23Å; R197-D201 VanDerWaalsContact O-CG 3.26Å; R197-D201 PolarHBondContact O-N 3.41Å |
| 202 | E | 82.9 | Confident | 85 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -81.5 | -41.6 | 174.6 | -168.7 | 71.1 | -128.2 | 0 | 0 | 113.3 | L198 L200 L204 H205 Y208 L238 Q241 | L198-E202 WeakPolarHBondContact O-CB 3.2Å; L198-E202 PolarHBondContact O-N 2.92Å; L198-E202 VanDerWaalsContact O-N 3.08Å; L200-E202 PolarHBondContact O-N 3.03Å; E202-L204 PolarHBondContact O-N 3.25Å; E202-H205 WeakPolarHBondContact O-CB 3.47Å; E202-H205 PolarHBondContact O-N 3.37Å; E202-Y208 HydrophobicContact CG-CE2 4.29Å; E202-Y208 WeakPolarHBondContact O-CD2 3.35Å; E202-L238 HydrophobicContact CB-CD1 3.8Å; E202-L238 HydrophobicContact CG-CD1 3.41Å; E202-L238 VanDerWaalsContact CG-CD1 3.41Å; E202-Q241 PolarHBondContact OE1-NE2 3.15Å; E202-Q241 PolarHBondContact OE2-NE2 3.46Å |
| 203 | C | 86.4 | Confident | 85.4 | Confident | 38 Ų | 38 | 63 Ų | 63 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.2 | -38.4 | 171.5 | -91.1 | 0 | 0 | 0 | 0 | 112.4 | L199 L200 H205 Y208 L238 | L199-C203 WeakPolarHBondContact O-CB 3.44Å; L199-C203 PolarHBondContact O-N 3.14Å; L199-C203 PolarHBondContact O-SG 3.45Å; L200-C203 PolarHBondContact O-N 2.93Å; C203-H205 PolarHBondContact O-N 3.48Å; C203-Y208 WeakPolarHBondContact O-CB 3.31Å; C203-L238 WeakPolarHBondContact SG-CD2 3.18Å |
| 204 | L | 87.2 | Confident | 85.7 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.5 | -180 | -65.7 | 169.9 | 0 | 0 | 0 | 112.4 | L56 W60 L200 E202 | L56-L204 HydrophobicContact CD1-CB 4.48Å; L56-L204 HydrophobicContact CD1-CD2 3.74Å; W60-L204 PolarHBondContact NE1-O 2.84Å; L200-L204 VanDerWaalsContact O-CB 3.25Å; L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 WeakPolarHBondContact O-CD1 3.19Å; L200-L204 WeakPolarHBondContact O-CG 3.44Å; L200-L204 PolarHBondContact O-N 3.31Å; E202-L204 PolarHBondContact O-N 3.25Å |
| 205 | H | 80.6 | Confident | 85.8 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -60.8 | 136.3 | 170 | -175.2 | -109.3 | 0 | 0 | 0 | 110 | E202 C203 F207 Y208 C209 | E202-H205 WeakPolarHBondContact O-CB 3.47Å; E202-H205 PolarHBondContact O-N 3.37Å; C203-H205 PolarHBondContact O-N 3.48Å; H205-F207 PolarHBondContact O-N 2.85Å; H205-Y208 HydrophobicContact CB-CD2 4.37Å; H205-Y208 PolarHBondContact O-N 2.97Å; H205-C209 PolarHBondContact O-N 2.89Å |
| 206 | P | 78.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 59 Ų | 59 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.9 | -30.3 | -172.1 | -28.8 | 33.1 | 0 | 0 | 0 | 115.2 | W60 F210 | W60-P206 HydrophobicContact CD2-CG 4.02Å; W60-P206 HydrophobicContact CE3-CG 4.42Å; W60-P206 HydrophobicContact CH2-CB 4.16Å; W60-P206 HydrophobicContact CH2-CG 4.18Å; W60-P206 HydrophobicContact CZ2-CB 4.01Å; W60-P206 HydrophobicContact CZ2-CG 3.76Å; W60-P206 HydrophobicContact CZ3-CG 4.49Å; P206-F210 WeakPolarHBondContact O-CB 3.31Å; P206-F210 PolarHBondContact O-N 2.96Å |
| 207 | F | 78 | Confident | 85.8 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -51.4 | 176.4 | -172.9 | -88.3 | 0 | 0 | 0 | 112.6 | H205 C209 F210 Q211 V442 P444 L446 P447 | H205-F207 PolarHBondContact O-N 2.85Å; F207-C209 VanDerWaalsContact C-N 3.33Å; F207-C209 PolarHBondContact O-N 2.9Å; F207-F210 PolarHBondContact O-N 3.35Å; F207-Q211 WeakPolarHBondContact O-CB 3.43Å; F207-Q211 PolarHBondContact O-N 2.94Å; F207-V442 HydrophobicContact CE2-CG1 4.12Å; F207-P444 WeakPolarHBondContact CZ-O 3.44Å; F207-L446 HydrophobicContact CE2-CB 4.26Å; F207-P447 HydrophobicContact CD1-CG 3.54Å; F207-P447 HydrophobicContact CD2-CG 3.93Å; F207-P447 HydrophobicContact CE1-CG 3.51Å; F207-P447 HydrophobicContact CE2-CG 3.9Å; F207-P447 HydrophobicContact CG-CG 3.76Å; F207-P447 HydrophobicContact CZ-CG 3.68Å |
| 208 | Y | 83.2 | Confident | 85.8 | Confident | 16 Ų | 16 | 47.7 Ų | 47.7 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -34.7 | -179.6 | -72.7 | -59 | 0 | 0 | 0 | 111.5 | E202 C203 H205 Q211 I212 L238 | E202-Y208 HydrophobicContact CG-CE2 4.29Å; E202-Y208 WeakPolarHBondContact O-CD2 3.35Å; C203-Y208 WeakPolarHBondContact O-CB 3.31Å; H205-Y208 HydrophobicContact CB-CD2 4.37Å; H205-Y208 PolarHBondContact O-N 2.97Å; Y208-Q211 PolarHBondContact O-N 3.27Å; Y208-I212 VanDerWaalsContact O-CG1 3.28Å; Y208-I212 WeakPolarHBondContact O-CG1 3.31Å; Y208-I212 PolarHBondContact O-N 3.03Å; Y208-L238 HydrophobicContact CE2-CD1 4.25Å |
| 209 | C | 84.3 | Confident | 86.1 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 171.3 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | L56 W60 H205 F207 F213 | L56-C209 HydrophobicContact CD2-CB 4.44Å; W60-C209 HydrophobicContact CZ2-CB 4.49Å; H205-C209 PolarHBondContact O-N 2.89Å; F207-C209 VanDerWaalsContact C-N 3.33Å; F207-C209 PolarHBondContact O-N 2.9Å; C209-F213 PolarHBondContact O-N 3.2Å; C209-F213 VanDerWaalsContact O-N 3.17Å |
| 210 | F | 83.7 | Confident | 86 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 174.2 | -177.3 | -87.1 | 0 | 0 | 0 | 112.2 | P206 F207 F213 S214 V442 | P206-F210 WeakPolarHBondContact O-CB 3.31Å; P206-F210 PolarHBondContact O-N 2.96Å; F207-F210 PolarHBondContact O-N 3.35Å; F210-F213 WeakPolarHBondContact O-CB 3.48Å; F210-F213 PolarHBondContact O-N 3.1Å; F210-S214 WeakPolarHBondContact CE1-OG 3.38Å; F210-S214 PolarHBondContact O-N 3.41Å; F210-S214 PolarHBondContact O-OG 2.9Å; F210-V442 HydrophobicContact CD1-CB 4.17Å; F210-V442 HydrophobicContact CD1-CG1 4.15Å; F210-V442 HydrophobicContact CD1-CG2 4.49Å; F210-V442 HydrophobicContact CE1-CB 3.59Å; F210-V442 HydrophobicContact CE1-CG1 4.09Å; F210-V442 HydrophobicContact CE1-CG2 3.81Å; F210-V442 HydrophobicContact CZ-CB 4.12Å; F210-V442 HydrophobicContact CZ-CG2 3.82Å |
| 211 | Q | 86.1 | Confident | 85.6 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 179.2 | -165.5 | 174.2 | 15.8 | 0 | 0 | 112.1 | F207 Y208 S214 C215 I230 S234 | F207-Q211 WeakPolarHBondContact O-CB 3.43Å; F207-Q211 PolarHBondContact O-N 2.94Å; Y208-Q211 PolarHBondContact O-N 3.27Å; Q211-S214 WeakPolarHBondContact O-CB 3.36Å; Q211-S214 PolarHBondContact O-N 2.82Å; Q211-C215 PolarHBondContact O-N 3.34Å; Q211-C215 PolarHBondContact O-SG 3.19Å; Q211-C215 VanDerWaalsContact O-SG 3.36Å; Q211-I230 HydrophobicContact CG-CG2 4.17Å; Q211-I230 VanDerWaalsContact NE2-CG2 3.28Å; Q211-S234 PolarHBondContact NE2-OG 2.77Å; Q211-S234 PolarHBondContact OE1-OG 3.16Å |
| 212 | I | 88 | Confident | 85.7 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 173 | -69.6 | 164 | 0 | 0 | 0 | 110.6 | Y208 S214 C215 I216 | Y208-I212 VanDerWaalsContact O-CG1 3.28Å; Y208-I212 WeakPolarHBondContact O-CG1 3.31Å; Y208-I212 PolarHBondContact O-N 3.03Å; I212-S214 VanDerWaalsContact C-N 3.3Å; I212-S214 PolarHBondContact O-N 3.25Å; I212-C215 PolarHBondContact O-N 3.12Å; I212-I216 HydrophobicContact CG2-CD1 3.98Å; I212-I216 WeakPolarHBondContact O-CG1 3.18Å; I212-I216 PolarHBondContact O-N 3.01Å |
| 213 | F | 87.9 | Confident | 85.9 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -41.8 | 174 | 170.1 | -102.2 | 0 | 0 | 0 | 112.2 | C209 F210 I216 L217 | C209-F213 PolarHBondContact O-N 3.2Å; C209-F213 VanDerWaalsContact O-N 3.17Å; F210-F213 WeakPolarHBondContact O-CB 3.48Å; F210-F213 PolarHBondContact O-N 3.1Å; F213-I216 PolarHBondContact O-N 3.38Å; F213-L217 HydrophobicContact CD1-CD1 4.08Å; F213-L217 HydrophobicContact CE1-CD1 3.5Å; F213-L217 VanDerWaalsContact CE1-CD1 3.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CZ-CD1 3.61Å; F213-L217 HydrophobicContact CZ-CG 4.33Å; F213-L217 PolarHBondContact O-N 3.29Å; F213-L217 VanDerWaalsContact O-N 3.11Å |
| 214 | S | 89.1 | Confident | 86 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 177 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | F210 Q211 I212 I216 L217 W218 T439 | F210-S214 WeakPolarHBondContact CE1-OG 3.38Å; F210-S214 PolarHBondContact O-N 3.41Å; F210-S214 PolarHBondContact O-OG 2.9Å; Q211-S214 WeakPolarHBondContact O-CB 3.36Å; Q211-S214 PolarHBondContact O-N 2.82Å; I212-S214 VanDerWaalsContact C-N 3.3Å; I212-S214 PolarHBondContact O-N 3.25Å; S214-I216 VanDerWaalsContact C-N 3.3Å; S214-I216 PolarHBondContact O-N 3.43Å; S214-L217 WeakPolarHBondContact O-CB 3.45Å; S214-L217 PolarHBondContact O-N 3.11Å; S214-L217 VanDerWaalsContact O-N 3.15Å; S214-W218 VanDerWaalsContact O-CD2 3.25Å; S214-W218 VanDerWaalsContact O-CG 3.28Å; S214-W218 PolarHBondContact O-N 2.97Å; S214-T439 WeakPolarHBondContact OG-CG2 3.36Å |
| 215 | C | 89.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.054 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 175.7 | -67.1 | 0 | 0 | 0 | 0 | 112.9 | Q211 I212 W218 Y219 V231 | Q211-C215 PolarHBondContact O-N 3.34Å; Q211-C215 PolarHBondContact O-SG 3.19Å; Q211-C215 VanDerWaalsContact O-SG 3.36Å; I212-C215 PolarHBondContact O-N 3.12Å; C215-W218 PolarHBondContact O-N 2.76Å; C215-Y219 WeakPolarHBondContact O-CD2 3.34Å; C215-Y219 PolarHBondContact O-N 2.99Å; C215-V231 HydrophobicContact CB-CG2 4.15Å |
| 216 | I | 90.6 | Very high | 86.6 | Confident | 110 Ų | 110 | 55.3 Ų | 55.3 | 56% | 0.564 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 174.8 | -68.7 | 164.7 | 0 | 0 | 0 | 111 | I212 F213 S214 S220 | I212-I216 HydrophobicContact CG2-CD1 3.98Å; I212-I216 WeakPolarHBondContact O-CG1 3.18Å; I212-I216 PolarHBondContact O-N 3.01Å; F213-I216 PolarHBondContact O-N 3.38Å; S214-I216 VanDerWaalsContact C-N 3.3Å; S214-I216 PolarHBondContact O-N 3.43Å; I216-S220 PolarHBondContact O-N 2.91Å |
| 217 | L | 89.5 | Confident | 87.2 | Confident | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 173.8 | -73.5 | 168.6 | 0 | 0 | 0 | 111.8 | F213 S214 Y219 S220 D221 L435 T439 | F213-L217 HydrophobicContact CD1-CD1 4.08Å; F213-L217 HydrophobicContact CE1-CD1 3.5Å; F213-L217 VanDerWaalsContact CE1-CD1 3.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CZ-CD1 3.61Å; F213-L217 HydrophobicContact CZ-CG 4.33Å; F213-L217 PolarHBondContact O-N 3.29Å; F213-L217 VanDerWaalsContact O-N 3.11Å; S214-L217 WeakPolarHBondContact O-CB 3.45Å; S214-L217 PolarHBondContact O-N 3.11Å; S214-L217 VanDerWaalsContact O-N 3.15Å; L217-Y219 PolarHBondContact O-N 3.25Å; L217-S220 CarbonylContact O-C 3.52Å; L217-S220 WeakPolarHBondContact O-CA 3.49Å; L217-S220 WeakPolarHBondContact O-CB 3.13Å; L217-S220 PolarHBondContact O-N 3.44Å; L217-D221 PolarHBondContact O-N 2.85Å; L217-L435 HydrophobicContact CD1-CB 3.8Å; L217-L435 HydrophobicContact CD2-CB 3.92Å; L217-L435 HydrophobicContact CD2-CD1 3.91Å; L217-T439 HydrophobicContact CD1-CG2 3.67Å |
| 218 | W | 89.7 | Confident | 87.8 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.038 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 180 | -63.8 | -32.9 | 0 | 0 | 0 | 112.9 | S214 C215 S220 D221 E222 Y223 Y226 A227 I230 D436 T439 | S214-W218 VanDerWaalsContact O-CD2 3.25Å; S214-W218 VanDerWaalsContact O-CG 3.28Å; S214-W218 PolarHBondContact O-N 2.97Å; C215-W218 PolarHBondContact O-N 2.76Å; W218-S220 PolarHBondContact O-N 2.92Å; W218-D221 CarbonylContact O-C 3.56Å; W218-D221 PolarHBondContact O-N 2.9Å; W218-E222 PolarHBondContact O-N 2.84Å; W218-Y223 PolarHBondContact O-N 3.39Å; W218-Y226 HydrophobicContact CD2-CD1 4.06Å; W218-Y226 AromaticContact CD2-CE1 3.59Å; W218-Y226 HydrophobicContact CD2-CE1 3.59Å; W218-Y226 AromaticContact CE2-CE1 3.7Å; W218-Y226 HydrophobicContact CE3-CD1 4.09Å; W218-Y226 AromaticContact CE3-CE1 3.59Å; W218-Y226 HydrophobicContact CE3-CE1 3.59Å; W218-Y226 HydrophobicContact CG-CD1 4.34Å; W218-Y226 HydrophobicContact CG-CE1 4.26Å; W218-Y226 AromaticContact CH2-CE1 3.86Å; W218-Y226 HydrophobicContact CH2-CE1 3.86Å; W218-Y226 AromaticContact CH2-CZ 4Å; W218-Y226 WeakPolarHBondContact CH2-OH 3.41Å; W218-Y226 AromaticContact CZ2-CE1 3.84Å; W218-Y226 HydrophobicContact CZ2-CE1 3.84Å; W218-Y226 AromaticContact CZ3-CE1 3.73Å; W218-Y226 HydrophobicContact CZ3-CE1 3.73Å; W218-A227 HydrophobicContact CB-CB 3.98Å; W218-I230 HydrophobicContact CZ3-CG1 4.46Å; W218-I230 HydrophobicContact CZ3-CG2 4.38Å; W218-D436 PolarHBondContact NE1-OD1 3.33Å; W218-T439 VanDerWaalsContact CZ2-OG1 3.32Å; W218-T439 WeakPolarHBondContact CZ2-OG1 3.43Å; W218-T439 PolarHBondContact NE1-OG1 3.44Å; W218-T439 VanDerWaalsContact NE1-OG1 3.12Å |
| 219 | Y | 90.7 | Very high | 88.1 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -25.5 | 169.3 | -75.2 | -58.2 | 0 | 0 | 0 | 113.2 | C215 L217 W224 A227 T228 | C215-Y219 WeakPolarHBondContact O-CD2 3.34Å; C215-Y219 PolarHBondContact O-N 2.99Å; L217-Y219 PolarHBondContact O-N 3.25Å; Y219-W224 HydrophobicContact CD1-CB 4.31Å; Y219-W224 HydrophobicContact CE1-CB 4.37Å; Y219-A227 HydrophobicContact CD1-CB 4Å; Y219-A227 HydrophobicContact CD2-CB 4.01Å; Y219-A227 HydrophobicContact CE1-CB 3.79Å; Y219-A227 HydrophobicContact CE2-CB 3.8Å; Y219-A227 HydrophobicContact CG-CB 4.1Å; Y219-T228 WeakPolarHBondContact OH-CA 3.21Å; Y219-T228 PolarHBondContact OH-N 2.71Å; Y219-T228 PolarHBondContact OH-OG1 3.12Å |
| 220 | S | 87.1 | Confident | 88.3 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -5 | 176 | -171.5 | 0 | 0 | 0 | 0 | 114.4 | I216 L217 W218 R432 | I216-S220 PolarHBondContact O-N 2.91Å; L217-S220 CarbonylContact O-C 3.52Å; L217-S220 WeakPolarHBondContact O-CA 3.49Å; L217-S220 WeakPolarHBondContact O-CB 3.13Å; L217-S220 PolarHBondContact O-N 3.44Å; W218-S220 PolarHBondContact O-N 2.92Å; S220-R432 WeakPolarHBondContact O-CD 3.24Å; S220-R432 PolarHBondContact O-NH1 3.27Å |
| 221 | D | 81.8 | Confident | 88.6 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 17% | 0.171 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 26.7 | 175 | -144.1 | 49.2 | 0 | 0 | 0 | 110.7 | L217 W218 Y223 R432 | L217-D221 PolarHBondContact O-N 2.85Å; W218-D221 CarbonylContact O-C 3.56Å; W218-D221 PolarHBondContact O-N 2.9Å; D221-Y223 HydrophobicContact CB-CD2 4.08Å; D221-Y223 HydrophobicContact CB-CE2 4.32Å; D221-Y223 WeakPolarHBondContact O-CD2 3.29Å; D221-Y223 PolarHBondContact O-N 2.93Å; D221-Y223 VanDerWaalsContact O-N 3.14Å; D221-R432 IonicContact OD1-CZ 3.6Å; D221-R432 IonicContact OD1-NE 2.71Å; D221-R432 IonicContact OD1-NH1 3.66Å |
| 222 | E | 84.6 | Confident | 88.7 | Confident | 158 Ų | 158 | 57.1 Ų | 57.1 | 74% | 0.738 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.1 | 173.5 | -53.9 | -168.4 | 172.2 | 0 | 0 | 117.1 | W218 W224 | W218-E222 PolarHBondContact O-N 2.84Å; E222-W224 VanDerWaalsContact O-CD1 3.24Å; E222-W224 PolarHBondContact O-N 3.06Å |
| 223 | Y | 86.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 54.6 Ų | 54.6 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | trans | -79.2 | 54.3 | 173.8 | -68.4 | -71.8 | 0 | 0 | 0 | 113 | W218 D221 M225 A227 N1125 I1126 D1128 Y1131 | W218-Y223 PolarHBondContact O-N 3.39Å; D221-Y223 HydrophobicContact CB-CD2 4.08Å; D221-Y223 HydrophobicContact CB-CE2 4.32Å; D221-Y223 WeakPolarHBondContact O-CD2 3.29Å; D221-Y223 PolarHBondContact O-N 2.93Å; D221-Y223 VanDerWaalsContact O-N 3.14Å; Y223-M225 PolarHBondContact O-N 3.4Å; Y223-A227 VanDerWaalsContact O-CB 3.27Å; Y223-A227 WeakPolarHBondContact O-CB 3.36Å; Y223-A227 PolarHBondContact O-N 3.46Å; Y223-N1125 WeakPolarHBondContact OH-CB 3.16Å; Y223-N1125 PolarHBondContact OH-ND2 2.95Å; Y223-I1126 WeakPolarHBondContact CE1-O 3.5Å; Y223-I1126 PolarHBondContact OH-O 3.44Å; Y223-D1128 HydrophobicContact CD1-CB 3.84Å; Y223-D1128 HydrophobicContact CE1-CB 4.43Å; Y223-Y1131 AromaticContact CD1-CD2 3.9Å; Y223-Y1131 HydrophobicContact CD1-CD2 3.9Å; Y223-Y1131 HydrophobicContact CD1-CE2 4.35Å; Y223-Y1131 AromaticContact CE1-CD2 3.56Å; Y223-Y1131 HydrophobicContact CE1-CD2 3.56Å; Y223-Y1131 AromaticContact CE1-CE2 3.71Å; Y223-Y1131 HydrophobicContact CE1-CE2 3.71Å; Y223-Y1131 HydrophobicContact CE2-CE2 4.49Å; Y223-Y1131 AromaticContact CZ-CE2 3.8Å | ||
| 224 | W | 89.5 | Confident | 88.3 | Confident | 174 Ų | 174 | 51 Ų | 51 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.1 | -35.1 | -169.5 | 61.8 | -89.6 | 0 | 0 | 0 | 114 | Y219 E222 T228 D1128 | Y219-W224 HydrophobicContact CD1-CB 4.31Å; Y219-W224 HydrophobicContact CE1-CB 4.37Å; E222-W224 VanDerWaalsContact O-CD1 3.24Å; E222-W224 PolarHBondContact O-N 3.06Å; W224-T228 VanDerWaalsContact O-CB 3.31Å; W224-T228 WeakPolarHBondContact O-CB 3.29Å; W224-T228 PolarHBondContact O-N 2.94Å; W224-T228 PolarHBondContact O-OG1 3.24Å; W224-D1128 PolarHBondContact N-OD2 3.04Å |
| 225 | M | 90.2 | Very high | 88.2 | Confident | 52 Ų | 52 | 55.5 Ų | 55.5 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75 | -48.6 | -180 | -179.1 | 174.7 | 44.8 | 0 | 0 | 110.8 | Y223 T228 C229 D1128 L1129 T1132 | Y223-M225 PolarHBondContact O-N 3.4Å; M225-T228 PolarHBondContact O-N 3.29Å; M225-C229 PolarHBondContact O-N 3.39Å; M225-D1128 WeakPolarHBondContact CB-OD2 3.37Å; M225-D1128 PolarHBondContact N-OD2 3.47Å; M225-L1129 HydrophobicContact CE-CB 3.75Å; M225-L1129 HydrophobicContact CE-CD1 3.63Å; M225-L1129 HydrophobicContact CE-CG 4.27Å; M225-L1129 HydrophobicContact SD-CD1 4.16Å; M225-T1132 HydrophobicContact CG-CG2 4.38Å |
| 226 | Y | 88.9 | Confident | 88 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 177.7 | 171.3 | -120.3 | 0 | 0 | 0 | 111.5 | W218 T228 C229 I230 D1128 T1132 D1135 | W218-Y226 HydrophobicContact CD2-CD1 4.06Å; W218-Y226 AromaticContact CD2-CE1 3.59Å; W218-Y226 HydrophobicContact CD2-CE1 3.59Å; W218-Y226 AromaticContact CE2-CE1 3.7Å; W218-Y226 HydrophobicContact CE3-CD1 4.09Å; W218-Y226 AromaticContact CE3-CE1 3.59Å; W218-Y226 HydrophobicContact CE3-CE1 3.59Å; W218-Y226 HydrophobicContact CG-CD1 4.34Å; W218-Y226 HydrophobicContact CG-CE1 4.26Å; W218-Y226 AromaticContact CH2-CE1 3.86Å; W218-Y226 HydrophobicContact CH2-CE1 3.86Å; W218-Y226 AromaticContact CH2-CZ 4Å; W218-Y226 WeakPolarHBondContact CH2-OH 3.41Å; W218-Y226 AromaticContact CZ2-CE1 3.84Å; W218-Y226 HydrophobicContact CZ2-CE1 3.84Å; W218-Y226 AromaticContact CZ3-CE1 3.73Å; W218-Y226 HydrophobicContact CZ3-CE1 3.73Å; Y226-T228 VanDerWaalsContact C-N 3.3Å; Y226-T228 PolarHBondContact O-N 3.48Å; Y226-C229 PolarHBondContact O-N 3.5Å; Y226-I230 HydrophobicContact CD2-CG1 4.01Å; Y226-I230 HydrophobicContact CE2-CD1 3.84Å; Y226-I230 HydrophobicContact CE2-CG1 3.58Å; Y226-I230 WeakPolarHBondContact O-CG1 3.31Å; Y226-I230 PolarHBondContact O-N 3.01Å; Y226-D1128 WeakPolarHBondContact CB-OD1 3.32Å; Y226-D1128 PolarHBondContact N-OD1 2.97Å; Y226-T1132 WeakPolarHBondContact CA-OG1 3.35Å; Y226-T1132 WeakPolarHBondContact CB-OG1 3.36Å; Y226-T1132 PolarHBondContact N-OG1 3.47Å; Y226-D1135 HydrophobicContact CE2-CB 3.95Å |
| 227 | A | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W218 Y219 Y223 I230 V231 | W218-A227 HydrophobicContact CB-CB 3.98Å; Y219-A227 HydrophobicContact CD1-CB 4Å; Y219-A227 HydrophobicContact CD2-CB 4.01Å; Y219-A227 HydrophobicContact CE1-CB 3.79Å; Y219-A227 HydrophobicContact CE2-CB 3.8Å; Y219-A227 HydrophobicContact CG-CB 4.1Å; Y223-A227 VanDerWaalsContact O-CB 3.27Å; Y223-A227 WeakPolarHBondContact O-CB 3.36Å; Y223-A227 PolarHBondContact O-N 3.46Å; A227-I230 PolarHBondContact O-N 3.32Å; A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 2.88Å |
| 228 | T | 91.7 | Very high | 87.1 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.6 | -57 | 0 | 0 | 0 | 0 | 112.1 | Y219 W224 M225 Y226 V231 V232 | Y219-T228 WeakPolarHBondContact OH-CA 3.21Å; Y219-T228 PolarHBondContact OH-N 2.71Å; Y219-T228 PolarHBondContact OH-OG1 3.12Å; W224-T228 VanDerWaalsContact O-CB 3.31Å; W224-T228 WeakPolarHBondContact O-CB 3.29Å; W224-T228 PolarHBondContact O-N 2.94Å; W224-T228 PolarHBondContact O-OG1 3.24Å; M225-T228 PolarHBondContact O-N 3.29Å; Y226-T228 VanDerWaalsContact C-N 3.3Å; Y226-T228 PolarHBondContact O-N 3.48Å; T228-V231 PolarHBondContact O-N 3.12Å; T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.5Å |
| 229 | C | 89.4 | Confident | 86.9 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 25% | 0.25 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.1 | -76.3 | 0 | 0 | 0 | 0 | 111.8 | M225 Y226 V231 V232 I233 | M225-C229 PolarHBondContact O-N 3.39Å; Y226-C229 PolarHBondContact O-N 3.5Å; C229-V231 PolarHBondContact O-N 2.87Å; C229-V232 PolarHBondContact O-N 2.88Å; C229-I233 VanDerWaalsContact O-CD1 3.29Å; C229-I233 WeakPolarHBondContact O-CD1 3.47Å; C229-I233 VanDerWaalsContact O-CG1 3.23Å; C229-I233 WeakPolarHBondContact O-CG1 3.41Å; C229-I233 PolarHBondContact O-N 2.88Å; C229-I233 VanDerWaalsContact O-N 3.08Å |
| 230 | I | 87.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 178.3 | -64.1 | -61.9 | 0 | 0 | 0 | 111.5 | Q211 W218 Y226 A227 S234 P444 | Q211-I230 HydrophobicContact CG-CG2 4.17Å; Q211-I230 VanDerWaalsContact NE2-CG2 3.28Å; W218-I230 HydrophobicContact CZ3-CG1 4.46Å; W218-I230 HydrophobicContact CZ3-CG2 4.38Å; Y226-I230 HydrophobicContact CD2-CG1 4.01Å; Y226-I230 HydrophobicContact CE2-CD1 3.84Å; Y226-I230 HydrophobicContact CE2-CG1 3.58Å; Y226-I230 WeakPolarHBondContact O-CG1 3.31Å; Y226-I230 PolarHBondContact O-N 3.01Å; A227-I230 PolarHBondContact O-N 3.32Å; I230-S234 WeakPolarHBondContact O-CB 3.48Å; I230-S234 PolarHBondContact O-N 3.32Å; I230-S234 PolarHBondContact O-OG 3.39Å; I230-P444 HydrophobicContact CD1-CB 4.22Å; I230-P444 HydrophobicContact CD1-CG 3.97Å; I230-P444 HydrophobicContact CG2-CB 4.26Å |
| 231 | V | 89.7 | Confident | 86 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 30% | 0.303 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | C215 A227 T228 C229 I233 S234 I235 | C215-V231 HydrophobicContact CB-CG2 4.15Å; A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 2.88Å; T228-V231 PolarHBondContact O-N 3.12Å; C229-V231 PolarHBondContact O-N 2.87Å; V231-I233 PolarHBondContact O-N 3.05Å; V231-S234 PolarHBondContact O-N 3.27Å; V231-I235 HydrophobicContact CG1-CD1 3.73Å; V231-I235 HydrophobicContact CG1-CG1 4.47Å; V231-I235 WeakPolarHBondContact O-CG1 3.44Å; V231-I235 PolarHBondContact O-N 3.28Å |
| 232 | V | 88.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | T228 C229 S234 I235 M236 | T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.5Å; C229-V232 PolarHBondContact O-N 2.88Å; V232-S234 VanDerWaalsContact C-N 3.29Å; V232-S234 PolarHBondContact O-N 2.94Å; V232-I235 PolarHBondContact O-N 3.26Å; V232-M236 HydrophobicContact CG1-SD 4.32Å; V232-M236 WeakPolarHBondContact O-CG 3.43Å; V232-M236 PolarHBondContact O-N 3.49Å |
| 233 | I | 82.9 | Confident | 86.1 | Confident | 45 Ų | 45 | 59 Ų | 59 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 178 | -62.8 | 157.3 | 0 | 0 | 0 | 110.7 | C229 V231 M236 S237 F1136 | C229-I233 VanDerWaalsContact O-CD1 3.29Å; C229-I233 WeakPolarHBondContact O-CD1 3.47Å; C229-I233 VanDerWaalsContact O-CG1 3.23Å; C229-I233 WeakPolarHBondContact O-CG1 3.41Å; C229-I233 PolarHBondContact O-N 2.88Å; C229-I233 VanDerWaalsContact O-N 3.08Å; V231-I233 PolarHBondContact O-N 3.05Å; I233-M236 PolarHBondContact O-N 3.37Å; I233-S237 WeakPolarHBondContact O-CB 3.49Å; I233-S237 PolarHBondContact O-N 2.84Å; I233-F1136 HydrophobicContact CD1-CD2 3.4Å; I233-F1136 VanDerWaalsContact CD1-CD2 3.4Å; I233-F1136 HydrophobicContact CD1-CE2 3.82Å; I233-F1136 HydrophobicContact CD1-CG 4.22Å; I233-F1136 HydrophobicContact CG1-CD2 4.17Å; I233-F1136 HydrophobicContact CG1-CE2 4.07Å |
| 234 | S | 84.5 | Confident | 85.6 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | -179.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | Q211 I230 V231 V232 M236 S237 L238 | Q211-S234 PolarHBondContact NE2-OG 2.77Å; Q211-S234 PolarHBondContact OE1-OG 3.16Å; I230-S234 WeakPolarHBondContact O-CB 3.48Å; I230-S234 PolarHBondContact O-N 3.32Å; I230-S234 PolarHBondContact O-OG 3.39Å; V231-S234 PolarHBondContact O-N 3.27Å; V232-S234 VanDerWaalsContact C-N 3.29Å; V232-S234 PolarHBondContact O-N 2.94Å; S234-M236 VanDerWaalsContact C-N 3.35Å; S234-M236 PolarHBondContact O-N 3.47Å; S234-S237 PolarHBondContact O-N 3.21Å; S234-L238 WeakPolarHBondContact O-CB 3.49Å; S234-L238 PolarHBondContact O-N 3.43Å |
| 235 | I | 87.6 | Confident | 84.9 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175 | -68.1 | 166.4 | 0 | 0 | 0 | 110.8 | V231 V232 S239 | V231-I235 HydrophobicContact CG1-CD1 3.73Å; V231-I235 HydrophobicContact CG1-CG1 4.47Å; V231-I235 WeakPolarHBondContact O-CG1 3.44Å; V231-I235 PolarHBondContact O-N 3.28Å; V232-I235 PolarHBondContact O-N 3.26Å; I235-S239 VanDerWaalsContact O-CB 3.23Å; I235-S239 WeakPolarHBondContact O-CB 3.38Å; I235-S239 PolarHBondContact O-N 3.32Å; I235-S239 PolarHBondContact O-OG 3.33Å |
| 236 | M | 84.4 | Confident | 84.6 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 177.6 | -71.3 | -177.9 | 70.4 | 0 | 0 | 112.3 | V232 I233 S234 S239 W240 | V232-M236 HydrophobicContact CG1-SD 4.32Å; V232-M236 WeakPolarHBondContact O-CG 3.43Å; V232-M236 PolarHBondContact O-N 3.49Å; I233-M236 PolarHBondContact O-N 3.37Å; S234-M236 VanDerWaalsContact C-N 3.35Å; S234-M236 PolarHBondContact O-N 3.47Å; M236-S239 PolarHBondContact O-N 3.5Å; M236-W240 PolarHBondContact O-N 2.74Å |
| 237 | S | 78.9 | Confident | 84 | Confident | 26 Ų | 26 | 62.3 Ų | 62.3 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 178.3 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | I233 S234 S239 W240 Q241 | I233-S237 WeakPolarHBondContact O-CB 3.49Å; I233-S237 PolarHBondContact O-N 2.84Å; S234-S237 PolarHBondContact O-N 3.21Å; S237-S239 VanDerWaalsContact C-N 3.35Å; S237-S239 PolarHBondContact O-N 3.06Å; S237-W240 PolarHBondContact O-N 3.35Å; S237-Q241 WeakPolarHBondContact O-CB 3.48Å; S237-Q241 PolarHBondContact O-N 3.17Å |
| 238 | L | 83.4 | Confident | 83 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 179.2 | 177.4 | 66 | 0 | 0 | 0 | 111.3 | L199 E202 C203 Y208 S234 W240 Q241 V242 | L199-L238 HydrophobicContact CD1-CD1 4.44Å; L199-L238 HydrophobicContact CD1-CD2 3.62Å; L199-L238 HydrophobicContact CD1-CG 3.82Å; E202-L238 HydrophobicContact CB-CD1 3.8Å; E202-L238 HydrophobicContact CG-CD1 3.41Å; E202-L238 VanDerWaalsContact CG-CD1 3.41Å; C203-L238 WeakPolarHBondContact SG-CD2 3.18Å; Y208-L238 HydrophobicContact CE2-CD1 4.25Å; S234-L238 WeakPolarHBondContact O-CB 3.49Å; S234-L238 PolarHBondContact O-N 3.43Å; L238-W240 VanDerWaalsContact C-N 3.32Å; L238-W240 PolarHBondContact O-N 3.4Å; L238-Q241 PolarHBondContact O-N 3.37Å; L238-V242 HydrophobicContact CD1-CG2 4.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.21Å |
| 239 | S | 85.2 | Confident | 82.2 | Confident | 64 Ų | 64 | 65.5 Ų | 65.5 | 45% | 0.448 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | I235 M236 S237 Y243 | I235-S239 VanDerWaalsContact O-CB 3.23Å; I235-S239 WeakPolarHBondContact O-CB 3.38Å; I235-S239 PolarHBondContact O-N 3.32Å; I235-S239 PolarHBondContact O-OG 3.33Å; M236-S239 PolarHBondContact O-N 3.5Å; S237-S239 VanDerWaalsContact C-N 3.35Å; S237-S239 PolarHBondContact O-N 3.06Å; S239-Y243 VanDerWaalsContact O-CB 3.28Å; S239-Y243 WeakPolarHBondContact O-CB 3.46Å; S239-Y243 PolarHBondContact O-N 3.04Å |
| 240 | W | 82 | Confident | 81.7 | Confident | 143 Ų | 143 | 70.1 Ų | 70.1 | 54% | 0.542 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -46.9 | 173.4 | -177.5 | -81.4 | 0 | 0 | 0 | 111.7 | M236 S237 L238 Y243 E244 | M236-W240 PolarHBondContact O-N 2.74Å; S237-W240 PolarHBondContact O-N 3.35Å; L238-W240 VanDerWaalsContact C-N 3.32Å; L238-W240 PolarHBondContact O-N 3.4Å; W240-Y243 PolarHBondContact O-N 3.12Å; W240-E244 PolarHBondContact NE1-OE2 3.18Å; W240-E244 WeakPolarHBondContact O-CB 3.29Å; W240-E244 PolarHBondContact O-N 2.84Å |
| 241 | Q | 76.5 | Confident | 80.7 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | -178.4 | -176.1 | 168.7 | -15.7 | 0 | 0 | 112.2 | E202 S237 L238 E244 L245 | E202-Q241 PolarHBondContact OE1-NE2 3.15Å; E202-Q241 PolarHBondContact OE2-NE2 3.46Å; S237-Q241 WeakPolarHBondContact O-CB 3.48Å; S237-Q241 PolarHBondContact O-N 3.17Å; L238-Q241 PolarHBondContact O-N 3.37Å; Q241-E244 PolarHBondContact O-N 3.05Å; Q241-L245 WeakPolarHBondContact O-CB 3.48Å; Q241-L245 PolarHBondContact O-N 2.98Å |
| 242 | V | 84.9 | Confident | 79.6 | Confident | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | I195 L198 L199 L238 R246 | I195-V242 HydrophobicContact CG2-CG1 4.18Å; L198-V242 HydrophobicContact CB-CG1 3.96Å; L198-V242 HydrophobicContact CD1-CG1 4.44Å; L199-V242 HydrophobicContact CD1-CG2 4.25Å; L238-V242 HydrophobicContact CD1-CG2 4.23Å; L238-V242 WeakPolarHBondContact O-CG2 3.4Å; L238-V242 PolarHBondContact O-N 3.21Å; V242-R246 WeakPolarHBondContact O-CB 3.41Å; V242-R246 PolarHBondContact O-N 2.9Å |
| 243 | Y | 84 | Confident | 79 | Confident | 139 Ų | 139 | 72 Ų | 72 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.5 | 172.1 | -94.6 | 0 | 0 | 0 | 112.5 | S239 W240 R246 R247 | S239-Y243 VanDerWaalsContact O-CB 3.28Å; S239-Y243 WeakPolarHBondContact O-CB 3.46Å; S239-Y243 PolarHBondContact O-N 3.04Å; W240-Y243 PolarHBondContact O-N 3.12Å; Y243-R246 PolarHBondContact O-N 3.15Å; Y243-R247 WeakPolarHBondContact O-CB 3.27Å; Y243-R247 PolarHBondContact O-N 3.28Å |
| 244 | E | 75.5 | Confident | 78.5 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | -179.6 | -168.4 | 168.2 | 148.7 | 0 | 0 | 111.4 | W240 Q241 R246 R247 N248 | W240-E244 PolarHBondContact NE1-OE2 3.18Å; W240-E244 WeakPolarHBondContact O-CB 3.29Å; W240-E244 PolarHBondContact O-N 2.84Å; Q241-E244 PolarHBondContact O-N 3.05Å; E244-R246 PolarHBondContact O-N 3.46Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.46Å; E244-N248 PolarHBondContact O-N 3.41Å; E244-N248 VanDerWaalsContact O-N 3.09Å; E244-N248 PolarHBondContact O-ND2 3.41Å; E244-N248 PolarHBondContact O-OD1 2.84Å |
| 245 | L | 74.4 | Confident | 77.5 | Confident | 79 Ų | 79 | 78.5 Ų | 78.5 | 41% | 0.414 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 173.8 | -179.8 | 55.8 | 0 | 0 | 0 | 111.6 | L198 Q241 R247 N248 E249 | L198-L245 HydrophobicContact CD2-CD2 3.81Å; L198-L245 HydrophobicContact CD2-CG 4.36Å; Q241-L245 WeakPolarHBondContact O-CB 3.48Å; Q241-L245 PolarHBondContact O-N 2.98Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 PolarHBondContact O-N 3.39Å; L245-N248 PolarHBondContact O-N 2.66Å; L245-E249 PolarHBondContact O-N 2.96Å |
| 246 | R | 84 | Confident | 76.4 | Confident | 37 Ų | 37 | 74.2 Ų | 74.2 | 14% | 0.14 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 178.9 | -176.9 | 50.8 | 165.5 | -166.1 | -11.6 | 113.3 | T193 I195 L198 V242 Y243 E244 E249 R250 | T193-R246 PolarHBondContact O-NH1 3.13Å; T193-R246 PolarHBondContact O-NH2 3.18Å; I195-R246 HydrophobicContact CG1-CG 4.4Å; L198-R246 HydrophobicContact CD1-CB 4.1Å; V242-R246 WeakPolarHBondContact O-CB 3.41Å; V242-R246 PolarHBondContact O-N 2.9Å; Y243-R246 PolarHBondContact O-N 3.15Å; E244-R246 PolarHBondContact O-N 3.46Å; R246-E249 WeakPolarHBondContact CD-OE2 3.33Å; R246-E249 IonicContact CZ-OE2 2.7Å; R246-E249 IonicContact NE-OE2 2.61Å; R246-E249 IonicContact NH1-OE1 2.63Å; R246-E249 IonicContact NH1-OE2 2.71Å; R246-E249 PolarHBondContact NH1-OE2 3.04Å; R246-R250 PolarHBondContact O-N 3.26Å |
| 247 | R | 78.1 | Confident | 75.4 | Confident | 152 Ų | 152 | 70 Ų | 70 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 173.8 | 179.1 | 179.3 | 174.4 | 179.9 | -2.6 | 110.8 | Y243 E244 L245 R250 T251 | Y243-R247 WeakPolarHBondContact O-CB 3.27Å; Y243-R247 PolarHBondContact O-N 3.28Å; E244-R247 WeakPolarHBondContact O-CB 3.34Å; E244-R247 PolarHBondContact O-N 3.46Å; L245-R247 VanDerWaalsContact C-N 3.32Å; L245-R247 PolarHBondContact O-N 3.39Å; R247-R250 PolarHBondContact O-N 3.4Å; R247-T251 PolarHBondContact O-N 3.31Å; R247-T251 PolarHBondContact O-OG1 3.01Å |
| 248 | N | 69.2 | Low | 74.9 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | -178.9 | -62.7 | -17.6 | 0 | 0 | 0 | 111.6 | E244 L245 R250 L252 | E244-N248 PolarHBondContact O-N 3.41Å; E244-N248 VanDerWaalsContact O-N 3.09Å; E244-N248 PolarHBondContact O-ND2 3.41Å; E244-N248 PolarHBondContact O-OD1 2.84Å; L245-N248 PolarHBondContact O-N 2.66Å; N248-R250 VanDerWaalsContact C-N 3.34Å; N248-R250 PolarHBondContact O-N 2.84Å; N248-L252 WeakPolarHBondContact O-CB 3.45Å; N248-L252 PolarHBondContact O-N 3.09Å |
| 249 | E | 74.6 | Confident | 74.5 | Confident | 41 Ų | 41 | 75.1 Ų | 75.1 | 19% | 0.192 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55.9 | -44.6 | 171.4 | -73.6 | -176.2 | 128.5 | 0 | 0 | 112.8 | L192 T193 L245 R246 L252 K253 | L192-E249 HydrophobicContact CD2-CB 3.89Å; T193-E249 WeakPolarHBondContact CB-OE1 3.3Å; T193-E249 VanDerWaalsContact CG2-OE1 3.29Å; T193-E249 WeakPolarHBondContact CG2-OE1 3.42Å; T193-E249 PolarHBondContact N-OE1 3.07Å; T193-E249 VanDerWaalsContact OG1-CD 3.26Å; T193-E249 PolarHBondContact OG1-OE1 3.42Å; T193-E249 PolarHBondContact OG1-OE2 3.47Å; L245-E249 PolarHBondContact O-N 2.96Å; R246-E249 WeakPolarHBondContact CD-OE2 3.33Å; R246-E249 IonicContact CZ-OE2 2.7Å; R246-E249 IonicContact NE-OE2 2.61Å; R246-E249 IonicContact NH1-OE1 2.63Å; R246-E249 IonicContact NH1-OE2 2.71Å; R246-E249 PolarHBondContact NH1-OE2 3.04Å; E249-L252 PolarHBondContact O-N 2.59Å; E249-K253 PolarHBondContact O-N 3.46Å |
| 250 | R | 78.4 | Confident | 74.3 | Confident | 134 Ų | 134 | 74 Ų | 74 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -50.3 | -179.1 | -84 | -170.1 | 176.3 | 175.1 | -1.5 | 112.1 | L192 R246 R247 N248 L252 K253 E254 | L192-R250 HydrophobicContact CD2-CG 4.41Å; R246-R250 PolarHBondContact O-N 3.26Å; R247-R250 PolarHBondContact O-N 3.4Å; N248-R250 VanDerWaalsContact C-N 3.34Å; N248-R250 PolarHBondContact O-N 2.84Å; R250-L252 VanDerWaalsContact C-N 3.26Å; R250-L252 PolarHBondContact O-N 3.08Å; R250-K253 PolarHBondContact O-N 2.93Å; R250-K253 VanDerWaalsContact O-N 3.1Å; R250-E254 WeakPolarHBondContact O-CB 3.38Å; R250-E254 VanDerWaalsContact O-CG 3.3Å; R250-E254 WeakPolarHBondContact O-CG 3.43Å; R250-E254 PolarHBondContact O-N 3.25Å |
| 251 | T | 68.6 | Low | 74.6 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | R247 K253 E254 T255 | R247-T251 PolarHBondContact O-N 3.31Å; R247-T251 PolarHBondContact O-OG1 3.01Å; T251-K253 PolarHBondContact O-N 2.83Å; T251-E254 PolarHBondContact O-N 2.67Å; T251-T255 PolarHBondContact O-N 3.41Å; T251-T255 VanDerWaalsContact O-N 3.12Å; T251-T255 PolarHBondContact O-OG1 2.95Å |
| 252 | L | 66.6 | Low | 75.2 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 24% | 0.236 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -33.1 | 177.4 | -172.4 | 143.4 | 0 | 0 | 0 | 112.9 | I190 N248 E249 R250 M256 I384 L385 | I190-L252 HydrophobicContact CD1-CD2 3.49Å; I190-L252 VanDerWaalsContact CD1-CD2 3.49Å; I190-L252 HydrophobicContact CG2-CD2 4.34Å; N248-L252 WeakPolarHBondContact O-CB 3.45Å; N248-L252 PolarHBondContact O-N 3.09Å; E249-L252 PolarHBondContact O-N 2.59Å; R250-L252 VanDerWaalsContact C-N 3.26Å; R250-L252 PolarHBondContact O-N 3.08Å; L252-M256 WeakPolarHBondContact O-CG 3.44Å; L252-I384 HydrophobicContact CD1-CG2 3.9Å; L252-L385 HydrophobicContact CD2-CD2 3.85Å |
| 253 | K | 76.2 | Confident | 75.6 | Confident | 54 Ų | 54 | 71 Ų | 71 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.8 | -46.1 | 170.8 | -177.8 | 167.1 | -173.6 | 142.7 | 0 | 112.5 | I190 L192 E249 R250 T251 T255 M256 C257 | I190-K253 HydrophobicContact CB-CB 4.46Å; I190-K253 HydrophobicContact CB-CG 4.42Å; I190-K253 WeakPolarHBondContact O-CD 3.3Å; I190-K253 PolarHBondContact O-NZ 3.1Å; L192-K253 HydrophobicContact CD1-CD 4.05Å; L192-K253 HydrophobicContact CD2-CB 4.27Å; L192-K253 HydrophobicContact CD2-CD 4.27Å; L192-K253 HydrophobicContact CG-CD 3.79Å; E249-K253 PolarHBondContact O-N 3.46Å; R250-K253 PolarHBondContact O-N 2.93Å; R250-K253 VanDerWaalsContact O-N 3.1Å; T251-K253 PolarHBondContact O-N 2.83Å; K253-T255 PolarHBondContact O-N 2.99Å; K253-M256 PolarHBondContact O-N 3.03Å; K253-C257 PolarHBondContact O-N 3.26Å; K253-C257 VanDerWaalsContact O-N 3.07Å |
| 254 | E | 70.9 | Confident | 76 | Confident | 140 Ų | 140 | 64.4 Ų | 64.4 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.4 | -27.3 | -177.1 | -73.6 | 164.6 | -160.8 | 0 | 0 | 112.6 | R250 T251 | R250-E254 WeakPolarHBondContact O-CB 3.38Å; R250-E254 VanDerWaalsContact O-CG 3.3Å; R250-E254 WeakPolarHBondContact O-CG 3.43Å; R250-E254 PolarHBondContact O-N 3.25Å; T251-E254 PolarHBondContact O-N 2.67Å |
| 255 | T | 64.4 | Low | 76.8 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -79.3 | -28.7 | 172.7 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | T251 K253 | T251-T255 PolarHBondContact O-N 3.41Å; T251-T255 VanDerWaalsContact O-N 3.12Å; T251-T255 PolarHBondContact O-OG1 2.95Å; K253-T255 PolarHBondContact O-N 2.99Å |
| 256 | M | 64.5 | Low | 77.5 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -102.7 | -26.2 | -167.5 | -61.7 | -58.1 | -178.5 | 0 | 0 | 115 | I190 L252 K253 I258 V381 I384 V1070 | I190-M256 HydrophobicContact CD1-CB 3.85Å; I190-M256 HydrophobicContact CD1-CG 4.05Å; L252-M256 WeakPolarHBondContact O-CG 3.44Å; K253-M256 PolarHBondContact O-N 3.03Å; M256-I258 PolarHBondContact O-N 2.89Å; M256-V381 HydrophobicContact CE-CG2 4.1Å; M256-V381 HydrophobicContact CG-CG1 4.29Å; M256-V381 HydrophobicContact CG-CG2 4.15Å; M256-V381 HydrophobicContact SD-CG2 3.47Å; M256-V381 WeakPolarHBondContact SD-CG2 3.14Å; M256-I384 HydrophobicContact CE-CD1 3.84Å; M256-V1070 HydrophobicContact CE-CB 4.5Å; M256-V1070 HydrophobicContact CE-CG1 3.96Å |
| 257 | C | 62.4 | Low | 77.7 | Confident | 44 Ų | 44 | 62 Ų | 62 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | trans | -93.2 | 93.7 | -179 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | I188 K253 | I188-C257 PolarHBondContact O-SG 3.32Å; K253-C257 PolarHBondContact O-N 3.26Å; K253-C257 VanDerWaalsContact O-N 3.07Å | ||
| 258 | I | 68 | Low | 77.7 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | trans | -118.2 | 130.6 | 171.2 | -49.6 | 175.6 | 0 | 0 | 0 | 108.2 | M256 L296 | M256-I258 PolarHBondContact O-N 2.89Å; I258-L296 HydrophobicContact CD1-CD2 4.32Å; I258-L296 HydrophobicContact CG2-CD2 3.79Å | ||
| 259 | S | 75.2 | Confident | 78.1 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 47% | 0.469 | 32% | 0.321 | S | S | . | . | trans | -122.6 | 158.6 | 169.9 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | S279 | S259-S279 WeakPolarHBondContact CA-OG 3.27Å; S259-S279 WeakPolarHBondContact CB-OG 3.33Å | ||
| 260 | S | 81.6 | Confident | 78.1 | Confident | 40 Ų | 40 | 62 Ų | 62 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | trans | -153.9 | 160.4 | 177.7 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | S279 Q298 | S260-S279 PolarHBondContact N-OG 3Å; S260-S279 WeakPolarHBondContact O-CB 3.43Å; S260-S279 PolarHBondContact O-N 3.3Å; S260-S279 PolarHBondContact O-OG 2.97Å; S260-Q298 VanDerWaalsContact OG-CG 3.25Å; S260-Q298 WeakPolarHBondContact OG-CG 3.45Å; S260-Q298 PolarHBondContact OG-NE2 3.11Å | ||
| 261 | S | 88 | Confident | 78.3 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 143.7 | 172.5 | -139.4 | 0 | 0 | 0 | 0 | 111.4 | E276 | S261-E276 WeakPolarHBondContact CB-OE1 3.47Å; S261-E276 VanDerWaalsContact OG-CD 3.28Å; S261-E276 WeakPolarHBondContact OG-CG 3.48Å; S261-E276 PolarHBondContact OG-OE1 2.8Å |
| 262 | V | 89.9 | Confident | 79.2 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 138.1 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | V264 V277 L282 I288 | V262-V264 HydrophobicContact CG1-CG2 4.44Å; V262-V277 PolarHBondContact N-O 3.33Å; V262-V277 PolarHBondContact O-N 2.98Å; V262-V277 VanDerWaalsContact O-O 3.05Å; V262-L282 HydrophobicContact CG2-CD1 4.38Å; V262-I288 HydrophobicContact CG1-CB 3.97Å; V262-I288 HydrophobicContact CG1-CG2 3.8Å |
| 263 | M | 92.7 | Very high | 80.2 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.9 | 171.5 | -71.4 | -58 | -57 | 0 | 0 | 109.8 | F274 E276 I288 E289 | M263-F274 HydrophobicContact CE-CB 3.89Å; M263-F274 WeakPolarHBondContact CE-O 3.34Å; M263-E276 HydrophobicContact SD-CB 3.65Å; M263-E276 HydrophobicContact SD-CG 4.09Å; M263-I288 VanDerWaalsContact O-CA 3.3Å; M263-I288 WeakPolarHBondContact O-CA 3.34Å; M263-E289 HydrophobicContact CB-CB 3.99Å; M263-E289 PolarHBondContact O-N 3.06Å |
| 264 | V | 92.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139 | -175.8 | -161.8 | 0 | 0 | 0 | 0 | 110.2 | V262 R266 F274 K275 V277 L282 D286 I287 I288 | V262-V264 HydrophobicContact CG1-CG2 4.44Å; V264-R266 HydrophobicContact CG1-CG 4.05Å; V264-F274 WeakPolarHBondContact O-CA 3.31Å; V264-K275 PolarHBondContact N-O 2.95Å; V264-K275 PolarHBondContact O-N 3.04Å; V264-V277 HydrophobicContact CB-CG2 4.22Å; V264-V277 HydrophobicContact CG2-CB 4.22Å; V264-V277 HydrophobicContact CG2-CG2 3.83Å; V264-L282 HydrophobicContact CG1-CD2 4.36Å; V264-L282 HydrophobicContact CG2-CD2 3.66Å; V264-D286 HydrophobicContact CG1-CB 3.91Å; V264-I287 CarbonylContact C-O 3.53Å; V264-I287 WeakPolarHBondContact CA-O 3.46Å; V264-I287 WeakPolarHBondContact CG1-O 3.45Å; V264-I288 HydrophobicContact CG1-CG2 4.32Å; V264-I288 HydrophobicContact CG2-CG2 4.29Å |
| 265 | Y | 91.4 | Very high | 81.7 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 112.3 | 175.9 | -172.6 | -129.9 | 0 | 0 | 0 | 110 | P170 K272 E273 F274 I287 | P170-Y265 HydrophobicContact CB-CD1 3.74Å; P170-Y265 HydrophobicContact CB-CE1 3.93Å; P170-Y265 HydrophobicContact CB-CG 4.16Å; P170-Y265 WeakPolarHBondContact CB-O 3.3Å; P170-Y265 HydrophobicContact CG-CD1 3.98Å; P170-Y265 HydrophobicContact CG-CE1 3.64Å; Y265-K272 HydrophobicContact CE2-CB 3.91Å; Y265-K272 WeakPolarHBondContact OH-CB 3.15Å; Y265-E273 WeakPolarHBondContact CA-O 3.49Å; Y265-E273 WeakPolarHBondContact CD2-O 3.4Å; Y265-F274 HydrophobicContact CD1-CZ 4.48Å; Y265-F274 HydrophobicContact CD2-CD1 4.38Å; Y265-F274 AromaticContact CD2-CD2 3.54Å; Y265-F274 HydrophobicContact CD2-CD2 3.54Å; Y265-F274 HydrophobicContact CD2-CE1 4.29Å; Y265-F274 AromaticContact CD2-CE2 3.43Å; Y265-F274 HydrophobicContact CD2-CE2 3.43Å; Y265-F274 VanDerWaalsContact CD2-CE2 3.43Å; Y265-F274 HydrophobicContact CD2-CG 4.03Å; Y265-F274 AromaticContact CD2-CZ 3.83Å; Y265-F274 HydrophobicContact CD2-CZ 3.83Å; Y265-F274 AromaticContact CE2-CD2 3.97Å; Y265-F274 HydrophobicContact CE2-CD2 3.97Å; Y265-F274 AromaticContact CE2-CE2 3.73Å; Y265-F274 HydrophobicContact CE2-CE2 3.73Å; Y265-F274 HydrophobicContact CE2-CZ 4.42Å; Y265-F274 HydrophobicContact CG-CD2 4.36Å; Y265-F274 HydrophobicContact CG-CE1 4.19Å; Y265-F274 AromaticContact CG-CE2 3.97Å; Y265-F274 HydrophobicContact CG-CE2 3.97Å; Y265-F274 AromaticContact CG-CZ 3.87Å; Y265-F274 HydrophobicContact CG-CZ 3.87Å; Y265-I287 HydrophobicContact CD1-CD1 4.47Å; Y265-I287 PolarHBondContact N-O 2.92Å |
| 266 | R | 90.4 | Very high | 82.9 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 165.2 | -175.7 | -74.8 | -176 | -179.9 | 151.4 | 0.1 | 111.6 | V264 K272 E273 S281 D286 | V264-R266 HydrophobicContact CG1-CG 4.05Å; R266-K272 WeakPolarHBondContact O-CA 3.35Å; R266-E273 PolarHBondContact N-O 3.22Å; R266-E273 PolarHBondContact O-N 3.38Å; R266-E273 VanDerWaalsContact O-N 3.11Å; R266-S281 PolarHBondContact NH2-O 3.25Å; R266-D286 IonicContact CZ-OD1 3.77Å; R266-D286 IonicContact CZ-OD2 3.63Å; R266-D286 IonicContact NE-OD1 3.17Å; R266-D286 PolarHBondContact NE-OD1 3.24Å; R266-D286 IonicContact NE-OD2 2.7Å; R266-D286 IonicContact NH2-OD1 3.21Å; R266-D286 PolarHBondContact NH2-OD1 2.88Å; R266-D286 VanDerWaalsContact NH2-OD1 3.08Å; R266-D286 IonicContact NH2-OD2 3.19Å; R266-D286 PolarHBondContact NH2-OD2 3.36Å |
| 267 | E | 86.9 | Confident | 84.2 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 105.9 | 174.9 | -166.7 | 176.5 | 118.3 | 0 | 0 | 110 | L171 N172 V271 K272 | L171-E267 PolarHBondContact O-N 2.91Å; N172-E267 WeakPolarHBondContact CA-O 3.38Å; N172-E267 PolarHBondContact ND2-OE1 3.11Å; E267-V271 WeakPolarHBondContact CA-O 3.44Å; E267-K272 HydrophobicContact CB-CG 4.24Å; E267-K272 HydrophobicContact CG-CG 3.99Å; E267-K272 WeakPolarHBondContact OE2-CE 3.35Å; E267-K272 IonicContact OE2-NZ 3.45Å |
| 268 | E | 79.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.1 | 173.3 | -61.1 | -167.1 | 179.3 | 0 | 0 | 108.8 | G270 V271 K275 | E268-G270 PolarHBondContact O-N 3.36Å; E268-V271 PolarHBondContact N-O 2.92Å; E268-V271 PolarHBondContact O-N 2.93Å; E268-K275 IonicContact OE1-NZ 2.68Å; E268-K275 PolarHBondContact OE1-NZ 3.19Å; E268-K275 IonicContact OE2-NZ 3.63Å; E268-K275 PolarHBondContact OE2-NZ 3.08Å |
| 269 | D | 77.1 | Confident | 86.5 | Confident | 170 Ų | 170 | 62.8 Ų | 62.8 | 91% | 0.909 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 29.5 | -178.7 | -59.5 | -17.6 | 0 | 0 | 0 | 115.6 | ||
| 270 | G | 75.8 | Confident | 87.2 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E268 | E268-G270 PolarHBondContact O-N 3.36Š|
| 271 | V | 82 | Confident | 87.6 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.8 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | E267 E268 | E267-V271 WeakPolarHBondContact CA-O 3.44Å; E268-V271 PolarHBondContact N-O 2.92Å; E268-V271 PolarHBondContact O-N 2.93Å |
| 272 | K | 86.4 | Confident | 87.8 | Confident | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.4 | 179.9 | -64.8 | 177.1 | 174.3 | -178.4 | 0 | 110.5 | P170 Y265 R266 E267 | P170-K272 HydrophobicContact CG-CB 4.41Å; P170-K272 HydrophobicContact CG-CD 3.72Å; P170-K272 HydrophobicContact CG-CG 3.85Å; Y265-K272 HydrophobicContact CE2-CB 3.91Å; Y265-K272 WeakPolarHBondContact OH-CB 3.15Å; R266-K272 WeakPolarHBondContact O-CA 3.35Å; E267-K272 HydrophobicContact CB-CG 4.24Å; E267-K272 HydrophobicContact CG-CG 3.99Å; E267-K272 WeakPolarHBondContact OE2-CE 3.35Å; E267-K272 IonicContact OE2-NZ 3.45Å |
| 273 | E | 88.9 | Confident | 87.9 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 157.2 | -176.6 | 64.4 | 167.7 | -146.9 | 0 | 0 | 113.8 | Y265 R266 | Y265-E273 WeakPolarHBondContact CA-O 3.49Å; Y265-E273 WeakPolarHBondContact CD2-O 3.4Å; R266-E273 PolarHBondContact N-O 3.22Å; R266-E273 PolarHBondContact O-N 3.38Å; R266-E273 VanDerWaalsContact O-N 3.11Å |
| 274 | F | 88.7 | Confident | 87.7 | Confident | 62 Ų | 62 | 53 Ų | 53 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115 | 170.7 | -79.3 | -93.8 | 0 | 0 | 0 | 108.9 | M263 V264 Y265 E289 L365 | M263-F274 HydrophobicContact CE-CB 3.89Å; M263-F274 WeakPolarHBondContact CE-O 3.34Å; V264-F274 WeakPolarHBondContact O-CA 3.31Å; Y265-F274 HydrophobicContact CD1-CZ 4.48Å; Y265-F274 HydrophobicContact CD2-CD1 4.38Å; Y265-F274 AromaticContact CD2-CD2 3.54Å; Y265-F274 HydrophobicContact CD2-CD2 3.54Å; Y265-F274 HydrophobicContact CD2-CE1 4.29Å; Y265-F274 AromaticContact CD2-CE2 3.43Å; Y265-F274 HydrophobicContact CD2-CE2 3.43Å; Y265-F274 VanDerWaalsContact CD2-CE2 3.43Å; Y265-F274 HydrophobicContact CD2-CG 4.03Å; Y265-F274 AromaticContact CD2-CZ 3.83Å; Y265-F274 HydrophobicContact CD2-CZ 3.83Å; Y265-F274 AromaticContact CE2-CD2 3.97Å; Y265-F274 HydrophobicContact CE2-CD2 3.97Å; Y265-F274 AromaticContact CE2-CE2 3.73Å; Y265-F274 HydrophobicContact CE2-CE2 3.73Å; Y265-F274 HydrophobicContact CE2-CZ 4.42Å; Y265-F274 HydrophobicContact CG-CD2 4.36Å; Y265-F274 HydrophobicContact CG-CE1 4.19Å; Y265-F274 AromaticContact CG-CE2 3.97Å; Y265-F274 HydrophobicContact CG-CE2 3.97Å; Y265-F274 AromaticContact CG-CZ 3.87Å; Y265-F274 HydrophobicContact CG-CZ 3.87Å; F274-E289 HydrophobicContact CD1-CB 4.35Å; F274-E289 HydrophobicContact CE1-CB 4.15Å; F274-L365 HydrophobicContact CE1-CD2 3.72Å; F274-L365 HydrophobicContact CZ-CD2 3.89Å |
| 275 | K | 89.3 | Confident | 87.5 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.9 | -171.2 | -166.1 | 169.3 | -173 | 170.1 | 0 | 110.3 | V264 E268 V277 | V264-K275 PolarHBondContact N-O 2.95Å; V264-K275 PolarHBondContact O-N 3.04Å; E268-K275 IonicContact OE1-NZ 2.68Å; E268-K275 PolarHBondContact OE1-NZ 3.19Å; E268-K275 IonicContact OE2-NZ 3.63Å; E268-K275 PolarHBondContact OE2-NZ 3.08Å; K275-V277 HydrophobicContact CB-CG2 4.43Å; K275-V277 HydrophobicContact CG-CG2 4.38Å |
| 276 | E | 90.3 | Very high | 87.5 | Confident | 134 Ų | 134 | 50.5 Ų | 50.5 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.1 | 174.5 | -167.7 | 175.8 | 177.6 | 0 | 0 | 109.7 | S261 M263 | S261-E276 WeakPolarHBondContact CB-OE1 3.47Å; S261-E276 VanDerWaalsContact OG-CD 3.28Å; S261-E276 WeakPolarHBondContact OG-CG 3.48Å; S261-E276 PolarHBondContact OG-OE1 2.8Å; M263-E276 HydrophobicContact SD-CB 3.65Å; M263-E276 HydrophobicContact SD-CG 4.09Å |
| 277 | V | 90.4 | Very high | 87.6 | Confident | 35 Ų | 35 | 50 Ų | 50 | 21% | 0.212 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.4 | -177.8 | -145.8 | 0 | 0 | 0 | 0 | 110.6 | V262 V264 K275 S279 S281 | V262-V277 PolarHBondContact N-O 3.33Å; V262-V277 PolarHBondContact O-N 2.98Å; V262-V277 VanDerWaalsContact O-O 3.05Å; V264-V277 HydrophobicContact CB-CG2 4.22Å; V264-V277 HydrophobicContact CG2-CB 4.22Å; V264-V277 HydrophobicContact CG2-CG2 3.83Å; K275-V277 HydrophobicContact CB-CG2 4.43Å; K275-V277 HydrophobicContact CG-CG2 4.38Å; V277-S279 PolarHBondContact O-N 3.33Å; V277-S281 WeakPolarHBondContact CG1-OG 3.21Å |
| 278 | D | 90.3 | Very high | 88 | Confident | 69 Ų | 69 | 48.6 Ų | 48.6 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 133.2 | 173.2 | -173.2 | -17.6 | 0 | 0 | 0 | 110.7 | I280 S281 | D278-I280 PolarHBondContact O-N 2.72Å; D278-I280 PolarHBondContact OD1-N 2.91Å; D278-S281 VanDerWaalsContact O-CB 3.31Å; D278-S281 WeakPolarHBondContact O-CB 3.49Å; D278-S281 PolarHBondContact O-N 3.37Å; D278-S281 PolarHBondContact O-OG 3.02Å |
| 279 | S | 90.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -35 | -37.6 | 164.5 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | N186 S259 S260 V277 S281 L282 | N186-S279 WeakPolarHBondContact CB-O 3.03Å; N186-S279 PolarHBondContact ND2-O 3.02Å; S259-S279 WeakPolarHBondContact CA-OG 3.27Å; S259-S279 WeakPolarHBondContact CB-OG 3.33Å; S260-S279 PolarHBondContact N-OG 3Å; S260-S279 WeakPolarHBondContact O-CB 3.43Å; S260-S279 PolarHBondContact O-N 3.3Å; S260-S279 PolarHBondContact O-OG 2.97Å; V277-S279 PolarHBondContact O-N 3.33Å; S279-S281 PolarHBondContact O-N 3.42Å; S279-L282 WeakPolarHBondContact O-CB 3.33Å; S279-L282 WeakPolarHBondContact O-CG 3.42Å; S279-L282 PolarHBondContact O-N 3.35Å |
| 280 | I | 90 | Very high | 89.4 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.195 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -62.1 | -28.7 | 179.7 | -64.3 | 174.9 | 0 | 0 | 0 | 111.9 | M185 N186 E187 D278 | M185-I280 HydrophobicContact CB-CG2 4.2Å; M185-I280 HydrophobicContact CE-CG2 4.04Å; N186-I280 PolarHBondContact N-O 2.98Å; E187-I280 HydrophobicContact CB-CG1 4.5Å; E187-I280 HydrophobicContact CB-CG2 4.33Å; D278-I280 PolarHBondContact O-N 2.72Å; D278-I280 PolarHBondContact OD1-N 2.91Å |
| 281 | S | 90.1 | Very high | 90 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -82.9 | -8.8 | -175.1 | 77.7 | 0 | 0 | 0 | 0 | 114.9 | R180 R266 V277 D278 S279 | R180-S281 PolarHBondContact NH2-O 3.17Å; R266-S281 PolarHBondContact NH2-O 3.25Å; V277-S281 WeakPolarHBondContact CG1-OG 3.21Å; D278-S281 VanDerWaalsContact O-CB 3.31Å; D278-S281 WeakPolarHBondContact O-CB 3.49Å; D278-S281 PolarHBondContact O-N 3.37Å; D278-S281 PolarHBondContact O-OG 3.02Å; S279-S281 PolarHBondContact O-N 3.42Å |
| 282 | L | 91.9 | Very high | 90 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -65.6 | 144 | -177.3 | -65.4 | 173.7 | 0 | 0 | 0 | 111.9 | N186 V262 V264 S279 D286 I288 | N186-L282 HydrophobicContact CB-CB 4.21Å; V262-L282 HydrophobicContact CG2-CD1 4.38Å; V264-L282 HydrophobicContact CG1-CD2 4.36Å; V264-L282 HydrophobicContact CG2-CD2 3.66Å; S279-L282 WeakPolarHBondContact O-CB 3.33Å; S279-L282 WeakPolarHBondContact O-CG 3.42Å; S279-L282 PolarHBondContact O-N 3.35Å; L282-D286 WeakPolarHBondContact CA-OD2 3.17Å; L282-D286 HydrophobicContact CD2-CB 4.34Å; L282-I288 HydrophobicContact CD2-CG2 3.83Å | ||
| 283 | V | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -130.2 | 155.7 | 174 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | L171 V176 N179 R180 G285 D286 | L171-V283 HydrophobicContact CD1-CG2 3.92Å; V176-V283 HydrophobicContact CB-CG2 4.5Å; V176-V283 HydrophobicContact CG1-CG2 4.14Å; V176-V283 HydrophobicContact CG2-CG2 4.46Å; N179-V283 HydrophobicContact CB-CB 3.92Å; N179-V283 HydrophobicContact CB-CG1 4.37Å; N179-V283 HydrophobicContact CB-CG2 4.02Å; R180-V283 HydrophobicContact CB-CG1 3.98Å; V283-G285 PolarHBondContact O-N 3.32Å; V283-D286 WeakPolarHBondContact CG2-OD2 3.31Å; V283-D286 PolarHBondContact N-OD2 3.43Å; V283-D286 WeakPolarHBondContact O-CB 3.27Å; V283-D286 PolarHBondContact O-N 3.41Å; V283-D286 VanDerWaalsContact O-N 3.11Å | ||
| 284 | P | 89.5 | Confident | 89.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 132.8 | 171.6 | -25.7 | 36.4 | 0 | 0 | 0 | 111.4 | N179 Y183 V368 T371 | N179-P284 PolarHBondContact ND2-O 2.85Å; Y183-P284 HydrophobicContact CD1-CG 4.15Å; Y183-P284 HydrophobicContact CD2-CB 4.35Å; Y183-P284 HydrophobicContact CD2-CG 3.69Å; Y183-P284 HydrophobicContact CE1-CG 4.34Å; Y183-P284 HydrophobicContact CE2-CB 4.14Å; Y183-P284 HydrophobicContact CE2-CG 3.91Å; Y183-P284 HydrophobicContact CG-CG 3.82Å; P284-V368 CarbonylContact C-O 3.49Å; P284-V368 VanDerWaalsContact CA-O 3.3Å; P284-V368 WeakPolarHBondContact CA-O 3.41Å; P284-T371 HydrophobicContact CG-CG2 4.4Å |
| 285 | G | 88 | Confident | 89.4 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -10.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | L171 V283 V368 | L171-G285 VanDerWaalsContact CD1-C 3.5Å; L171-G285 WeakPolarHBondContact CG-O 3.1Å; V283-G285 PolarHBondContact O-N 3.32Å; G285-V368 PolarHBondContact N-O 2.91Å |
| 286 | D | 91 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -62.1 | 137.6 | 169.7 | -82.7 | -41.5 | 0 | 0 | 0 | 110.7 | V264 R266 L282 V283 V367 V368 | V264-D286 HydrophobicContact CG1-CB 3.91Å; R266-D286 IonicContact CZ-OD1 3.77Å; R266-D286 IonicContact CZ-OD2 3.63Å; R266-D286 IonicContact NE-OD1 3.17Å; R266-D286 PolarHBondContact NE-OD1 3.24Å; R266-D286 IonicContact NE-OD2 2.7Å; R266-D286 IonicContact NH2-OD1 3.21Å; R266-D286 PolarHBondContact NH2-OD1 2.88Å; R266-D286 VanDerWaalsContact NH2-OD1 3.08Å; R266-D286 IonicContact NH2-OD2 3.19Å; R266-D286 PolarHBondContact NH2-OD2 3.36Å; L282-D286 WeakPolarHBondContact CA-OD2 3.17Å; L282-D286 HydrophobicContact CD2-CB 4.34Å; V283-D286 WeakPolarHBondContact CG2-OD2 3.31Å; V283-D286 PolarHBondContact N-OD2 3.43Å; V283-D286 WeakPolarHBondContact O-CB 3.27Å; V283-D286 PolarHBondContact O-N 3.41Å; V283-D286 VanDerWaalsContact O-N 3.11Å; D286-V367 CarbonylContact O-C 3.58Å; D286-V367 WeakPolarHBondContact O-CA 3.41Å; D286-V368 HydrophobicContact CB-CB 4.36Å; D286-V368 HydrophobicContact CB-CG2 4Å; D286-V368 WeakPolarHBondContact O-CG2 3.12Å; D286-V368 PolarHBondContact O-N 2.85Å | ||
| 287 | I | 93.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.8 | 170.1 | -62.1 | 170.9 | 0 | 0 | 0 | 108 | V264 Y265 L365 A366 V367 | V264-I287 CarbonylContact C-O 3.53Å; V264-I287 WeakPolarHBondContact CA-O 3.46Å; V264-I287 WeakPolarHBondContact CG1-O 3.45Å; Y265-I287 HydrophobicContact CD1-CD1 4.47Å; Y265-I287 PolarHBondContact N-O 2.92Å; I287-L365 HydrophobicContact CG2-CB 4.33Å; I287-A366 CarbonylContact C-O 3.57Å; I287-A366 WeakPolarHBondContact CA-O 3.46Å; I287-V367 HydrophobicContact CG1-CB 4.47Å; I287-V367 HydrophobicContact CG1-CG2 4.45Å |
| 288 | I | 94 | Very high | 89.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.2 | -178.1 | 61.1 | 170.7 | 0 | 0 | 0 | 111.6 | V262 M263 V264 L282 I290 A301 L365 A366 V368 | V262-I288 HydrophobicContact CG1-CB 3.97Å; V262-I288 HydrophobicContact CG1-CG2 3.8Å; M263-I288 VanDerWaalsContact O-CA 3.3Å; M263-I288 WeakPolarHBondContact O-CA 3.34Å; V264-I288 HydrophobicContact CG1-CG2 4.32Å; V264-I288 HydrophobicContact CG2-CG2 4.29Å; L282-I288 HydrophobicContact CD2-CG2 3.83Å; I288-I290 HydrophobicContact CD1-CD1 4.05Å; I288-I290 HydrophobicContact CG1-CD1 4.28Å; I288-A301 HydrophobicContact CD1-CB 4.22Å; I288-L365 WeakPolarHBondContact O-CA 3.45Å; I288-A366 HydrophobicContact CG1-CB 4.19Å; I288-A366 WeakPolarHBondContact CG1-O 3.3Å; I288-A366 PolarHBondContact N-O 3.33Å; I288-A366 PolarHBondContact O-N 3.48Å; I288-V368 HydrophobicContact CD1-CG2 4.35Å; I288-V368 HydrophobicContact CG1-CG2 4.48Å; I288-V368 HydrophobicContact CG2-CG2 3.99Å |
| 289 | E | 93.2 | Very high | 89.3 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 19% | 0.192 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.2 | 173.1 | 176.7 | 176.4 | -173 | 0 | 0 | 110.9 | M263 F274 R363 V364 L365 | M263-E289 HydrophobicContact CB-CB 3.99Å; M263-E289 PolarHBondContact O-N 3.06Å; F274-E289 HydrophobicContact CD1-CB 4.35Å; F274-E289 HydrophobicContact CE1-CB 4.15Å; E289-R363 VanDerWaalsContact OE1-CD 3.31Å; E289-R363 WeakPolarHBondContact OE1-CD 3.22Å; E289-R363 WeakPolarHBondContact OE1-CG 3.49Å; E289-R363 IonicContact OE1-CZ 3.57Å; E289-R363 IonicContact OE1-NE 2.69Å; E289-R363 IonicContact OE1-NH1 3.54Å; E289-R363 IonicContact OE2-CZ 2.61Å; E289-R363 IonicContact OE2-NE 2.83Å; E289-R363 IonicContact OE2-NH1 2.66Å; E289-R363 PolarHBondContact OE2-NH1 3.49Å; E289-V364 WeakPolarHBondContact CA-O 3.42Å; E289-L365 HydrophobicContact CB-CD2 4.13Å |
| 290 | I | 92.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.3 | 177.9 | -49.6 | -57.3 | 0 | 0 | 0 | 108.9 | I288 L347 V353 T356 V364 A366 | I288-I290 HydrophobicContact CD1-CD1 4.05Å; I288-I290 HydrophobicContact CG1-CD1 4.28Å; I290-L347 HydrophobicContact CD1-CD1 3.74Å; I290-L347 HydrophobicContact CG1-CD1 3.98Å; I290-V353 HydrophobicContact CG2-CB 4.27Å; I290-V353 HydrophobicContact CG2-CG1 3.92Å; I290-V353 HydrophobicContact CG2-CG2 3.97Å; I290-T356 HydrophobicContact CB-CG2 4.09Å; I290-T356 HydrophobicContact CG2-CG2 3.6Å; I290-V364 HydrophobicContact CB-CB 4.32Å; I290-V364 HydrophobicContact CB-CG1 3.9Å; I290-V364 HydrophobicContact CG1-CG1 4.2Å; I290-V364 PolarHBondContact N-O 3.34Å; I290-A366 HydrophobicContact CD1-CB 4.44Å; I290-A366 HydrophobicContact CG1-CB 4.48Å |
| 291 | P | 89.5 | Confident | 89.5 | Confident | 59 Ų | 59 | 28 Ų | 28 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -74.2 | 144.3 | -174.3 | 29.7 | -36 | 0 | 0 | 0 | 112.5 | N293 G294 C295 | P291-N293 PolarHBondContact O-N 2.92Å; P291-N293 VanDerWaalsContact O-N 3.15Å; P291-G294 PolarHBondContact O-N 2.84Å; P291-C295 HydrophobicContact CG-CB 3.82Å |
| 292 | R | 81.9 | Confident | 89.5 | Confident | 121 Ų | 121 | 27.2 Ų | 27.2 | 46% | 0.457 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.2 | -173.5 | -57.2 | -169.5 | -168.2 | 160.9 | 8.4 | 115.1 | G294 T356 D361 | R292-G294 PolarHBondContact O-N 3.12Å; R292-T356 WeakPolarHBondContact CA-OG1 3.48Å; R292-D361 IonicContact CZ-OD1 2.73Å; R292-D361 IonicContact CZ-OD2 3.6Å; R292-D361 IonicContact NH1-OD1 2.66Å; R292-D361 PolarHBondContact NH1-OD1 3.45Å; R292-D361 IonicContact NH1-OD2 3.14Å; R292-D361 PolarHBondContact NH1-OD2 3.05Å; R292-D361 PolarHBondContact NH2-O 2.91Å; R292-D361 IonicContact NH2-OD1 2.76Å; R292-D361 PolarHBondContact NH2-OD1 3.36Å; R292-D361 IonicContact NH2-OD2 3.02Å; R292-D361 PolarHBondContact NH2-OD2 3.13Å |
| 293 | N | 80.2 | Confident | 89.5 | Confident | 160 Ų | 160 | 27.2 Ų | 27.2 | 86% | 0.856 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 10.9 | -179.2 | -60.4 | -5.7 | 0 | 0 | 0 | 113.3 | P291 | P291-N293 PolarHBondContact O-N 2.92Å; P291-N293 VanDerWaalsContact O-N 3.15Å |
| 294 | G | 82.4 | Confident | 89.3 | Confident | 20 Ų | 20 | 28.7 Ų | 28.7 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | trans | 85 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P291 R292 V353 | P291-G294 PolarHBondContact O-N 2.84Å; R292-G294 PolarHBondContact O-N 3.12Å; G294-V353 CarbonylContact C-O 3.58Å; G294-V353 WeakPolarHBondContact CA-O 3.48Å | ||
| 295 | C | 89 | Confident | 89.2 | Confident | 39 Ų | 39 | 31 Ų | 31 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 162.1 | 178.1 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | P291 T352 V353 | P291-C295 HydrophobicContact CG-CB 3.82Å; C295-T352 CarbonylContact O-C 3.48Å; C295-T352 WeakPolarHBondContact O-CA 3.33Å; C295-V353 PolarHBondContact N-O 3.42Å; C295-V353 PolarHBondContact O-N 3.45Å |
| 296 | L | 88.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.3 | 164.4 | 178 | 63.2 | 0 | 0 | 0 | 108.9 | I258 T352 | I258-L296 HydrophobicContact CD1-CD2 4.32Å; I258-L296 HydrophobicContact CG2-CD2 3.79Å; L296-T352 HydrophobicContact CB-CG2 4.35Å; L296-T352 HydrophobicContact CD1-CG2 3.72Å |
| 297 | V | 90.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | trans | -81.8 | 122.9 | -179 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | C299 L347 F348 A349 G350 T351 V353 | V297-C299 WeakPolarHBondContact CG1-O 3.15Å; V297-L347 HydrophobicContact CG1-CB 4.06Å; V297-L347 HydrophobicContact CG2-CB 4.28Å; V297-F348 WeakPolarHBondContact CB-O 3.4Å; V297-F348 WeakPolarHBondContact CG1-O 3.24Å; V297-A349 CarbonylContact O-C 3.43Å; V297-A349 WeakPolarHBondContact O-CA 3.4Å; V297-G350 PolarHBondContact O-N 3.41Å; V297-T351 WeakPolarHBondContact CB-O 3.34Å; V297-T351 WeakPolarHBondContact CG2-O 3.4Å; V297-T351 PolarHBondContact N-O 2.93Å; V297-V353 HydrophobicContact CG2-CG2 3.79Å | ||
| 298 | Q | 88.3 | Confident | 88.4 | Confident | 30 Ų | 30 | 33 Ų | 33 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | trans | -107.1 | 5.9 | -174 | -54.7 | -67.5 | 15.3 | 0 | 0 | 114.6 | N186 S260 | N186-Q298 PolarHBondContact ND2-O 2.71Å; N186-Q298 PolarHBondContact OD1-O 3.13Å; S260-Q298 VanDerWaalsContact OG-CG 3.25Å; S260-Q298 WeakPolarHBondContact OG-CG 3.45Å; S260-Q298 PolarHBondContact OG-NE2 3.11Å | ||
| 299 | C | 91.1 | Very high | 88 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -155.1 | 162 | -179.5 | 57.1 | 0 | 0 | 0 | 0 | 109 | V297 V368 R370 T371 | V297-C299 WeakPolarHBondContact CG1-O 3.15Å; C299-V368 HydrophobicContact CB-CG1 3.99Å; C299-R370 WeakPolarHBondContact CB-O 3.4Å; C299-T371 HydrophobicContact CB-CG2 4.4Å |
| 300 | D | 91.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119 | 171.4 | -61.1 | -21.2 | 0 | 0 | 0 | 107.9 | L347 F348 A349 A369 R370 T375 V376 | D300-L347 CarbonylContact C-O 3.59Å; D300-L347 WeakPolarHBondContact CA-O 3.03Å; D300-F348 WeakPolarHBondContact OD1-CA 3.48Å; D300-A349 PolarHBondContact OD1-N 2.85Å; D300-A369 WeakPolarHBondContact O-CA 3.38Å; D300-A369 PolarHBondContact O-N 2.88Å; D300-R370 HydrophobicContact CB-CB 4.09Å; D300-R370 HydrophobicContact CB-CG 4.46Å; D300-R370 PolarHBondContact N-O 3.09Å; D300-R370 PolarHBondContact O-N 3.31Å; D300-T375 HydrophobicContact CB-CG2 4.45Å; D300-T375 WeakPolarHBondContact OD2-CA 3.31Å; D300-T375 WeakPolarHBondContact OD2-CB 3.48Å; D300-V376 PolarHBondContact OD2-N 3.14Å |
| 301 | A | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I288 I346 L347 A366 V367 | I288-A301 HydrophobicContact CD1-CB 4.22Å; A301-I346 CarbonylContact O-C 3.56Å; A301-I346 WeakPolarHBondContact O-CA 3.19Å; A301-L347 PolarHBondContact N-O 3.04Å; A301-L347 PolarHBondContact O-N 3.27Å; A301-A366 HydrophobicContact CB-CB 4.13Å; A301-V367 CarbonylContact C-O 3.59Å; A301-V367 VanDerWaalsContact CA-O 3.24Å; A301-V367 WeakPolarHBondContact CA-O 3.47Å |
| 302 | I | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.3 | -178.7 | -55 | 164.1 | 0 | 0 | 0 | 108.9 | W157 I165 L327 F337 H345 I346 A366 V367 A369 | W157-I302 HydrophobicContact CE3-CD1 4.22Å; I165-I302 HydrophobicContact CD1-CD1 4.07Å; I165-I302 HydrophobicContact CG2-CD1 3.94Å; I165-I302 HydrophobicContact CG2-CG2 4.24Å; I302-L327 HydrophobicContact CG2-CB 4.3Å; I302-L327 HydrophobicContact CG2-CD1 4.48Å; I302-L327 HydrophobicContact CG2-CD2 4.17Å; I302-F337 HydrophobicContact CD1-CD1 4.02Å; I302-F337 HydrophobicContact CD1-CE1 3.42Å; I302-F337 VanDerWaalsContact CD1-CE1 3.42Å; I302-F337 HydrophobicContact CD1-CE2 4.3Å; I302-F337 HydrophobicContact CD1-CZ 3.58Å; I302-F337 HydrophobicContact CG1-CE1 3.94Å; I302-F337 HydrophobicContact CG1-CZ 3.79Å; I302-F337 HydrophobicContact CG2-CE2 4.41Å; I302-F337 HydrophobicContact CG2-CZ 4.18Å; I302-H345 CarbonylContact C-O 3.06Å; I302-H345 WeakPolarHBondContact CA-O 3.34Å; I302-I346 HydrophobicContact CG1-CG1 4.36Å; I302-A366 CarbonylContact O-C 3.57Å; I302-A366 WeakPolarHBondContact O-CA 3.41Å; I302-A366 WeakPolarHBondContact O-CB 3.44Å; I302-V367 HydrophobicContact CB-CG1 4.01Å; I302-V367 PolarHBondContact N-O 2.98Å; I302-V367 PolarHBondContact O-N 3.21Å; I302-A369 HydrophobicContact CD1-CB 3.89Å; I302-A369 HydrophobicContact CG1-CB 3.96Å |
| 303 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.5 | -176.4 | -170.3 | 59.6 | 0 | 0 | 0 | 110.9 | G306 C308 K324 P326 L327 H345 V364 A366 | L303-G306 WeakPolarHBondContact CD2-O 3.28Å; L303-C308 HydrophobicContact CD2-CB 4.34Å; L303-K324 HydrophobicContact CD2-CB 4.1Å; L303-P326 HydrophobicContact CG-CB 4.36Å; L303-P326 CarbonylContact O-C 3.57Å; L303-P326 WeakPolarHBondContact O-CA 3.43Å; L303-L327 PolarHBondContact O-N 3.03Å; L303-H345 PolarHBondContact N-O 3.5Å; L303-V364 HydrophobicContact CD1-CG1 3.88Å; L303-A366 HydrophobicContact CD1-CB 4.39Å |
| 304 | L | 87.9 | Confident | 85.5 | Confident | 31 Ų | 31 | 19.6 Ų | 19.6 | 16% | 0.162 | 12% | 0.118 | C | C | . | . | trans | -103.9 | -43.7 | -176.9 | -60.8 | 176.9 | 0 | 0 | 0 | 112.4 | P326 L365 V367 | L304-P326 VanDerWaalsContact O-CB 3.29Å; L304-P326 WeakPolarHBondContact O-CB 3.33Å; L304-L365 WeakPolarHBondContact CA-O 3.49Å; L304-L365 WeakPolarHBondContact CB-O 3.09Å; L304-L365 PolarHBondContact N-O 3.09Å; L304-V367 HydrophobicContact CD1-CB 4.1Å; L304-V367 HydrophobicContact CD1-CG1 4.29Å; L304-V367 HydrophobicContact CD2-CG1 4.02Å; L304-V367 HydrophobicContact CG-CG1 4.25Å | ||
| 305 | T | 86.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 19.6 Ų | 19.6 | 31% | 0.313 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -136.1 | 147.2 | -179.2 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | R363 V364 L365 | T305-R363 PolarHBondContact OG1-O 2.84Å; T305-V364 WeakPolarHBondContact O-CA 3.37Å; T305-V364 VanDerWaalsContact O-CG1 3.27Å; T305-V364 WeakPolarHBondContact O-CG1 3.34Å; T305-L365 PolarHBondContact N-O 2.77Å; T305-L365 VanDerWaalsContact N-O 3.15Å; T305-L365 PolarHBondContact O-N 3.3Å; T305-L365 WeakPolarHBondContact OG1-CB 3.47Å; T305-L365 PolarHBondContact OG1-N 3.09Å |
| 306 | G | 82.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 19.6 Ų | 19.6 | 6% | 0.062 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 69.6 | 165.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L303 P326 | L303-G306 WeakPolarHBondContact CD2-O 3.28Å; G306-P326 VanDerWaalsContact O-CD 3.3Å; G306-P326 WeakPolarHBondContact O-CD 3.5Å |
| 307 | N | 84.9 | Confident | 82.1 | Confident | 49 Ų | 49 | 18.2 Ų | 18.2 | 26% | 0.262 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 150.3 | 175.6 | -59.3 | -66.6 | 0 | 0 | 0 | 110.7 | K324 P326 T356 R357 | N307-K324 WeakPolarHBondContact CA-O 3.24Å; N307-P326 VanDerWaalsContact OD1-CD 3.25Å; N307-P326 WeakPolarHBondContact OD1-CD 3.43Å; N307-T356 CarbonylContact O-C 3.59Å; N307-T356 WeakPolarHBondContact O-CA 3.39Å; N307-R357 HydrophobicContact CB-CB 4.48Å; N307-R357 PolarHBondContact N-O 3.46Å; N307-R357 PolarHBondContact O-N 3.5Å |
| 308 | C | 87.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.2 | 175.2 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | L303 V310 T323 K324 L347 V353 | L303-C308 HydrophobicContact CD2-CB 4.34Å; C308-V310 HydrophobicContact CB-CG2 3.95Å; C308-T323 CarbonylContact O-C 3.52Å; C308-T323 WeakPolarHBondContact O-CA 3.39Å; C308-K324 HydrophobicContact CB-CB 4.43Å; C308-K324 PolarHBondContact N-O 3.46Å; C308-K324 PolarHBondContact O-N 3.05Å; C308-L347 HydrophobicContact CB-CD2 3.99Å; C308-V353 HydrophobicContact CB-CG1 4.21Å |
| 309 | I | 86.3 | Confident | 79.5 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.2 | 163.6 | -61 | -179 | 0 | 0 | 0 | 107.3 | P321 I354 Q355 T535 I537 | I309-P321 HydrophobicContact CG2-CB 3.89Å; I309-I354 HydrophobicContact CG2-CB 4.49Å; I309-I354 HydrophobicContact CG2-CD1 4.13Å; I309-I354 PolarHBondContact O-N 2.89Å; I309-Q355 PolarHBondContact N-O 3.21Å; I309-T535 HydrophobicContact CD1-CG2 4.17Å; I309-I537 HydrophobicContact CG2-CD1 4.13Å |
| 310 | V | 88.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.4 | -171.8 | -168.3 | 0 | 0 | 0 | 0 | 110.1 | C308 E312 P321 V322 K324 L347 T351 T352 V353 | C308-V310 HydrophobicContact CB-CG2 3.95Å; V310-E312 HydrophobicContact CB-CG 4.29Å; V310-E312 HydrophobicContact CG1-CG 3.92Å; V310-P321 CarbonylContact O-C 3.47Å; V310-P321 WeakPolarHBondContact O-CA 3.42Å; V310-V322 PolarHBondContact N-O 3.37Å; V310-V322 PolarHBondContact O-N 3.26Å; V310-K324 HydrophobicContact CB-CG 4.43Å; V310-K324 HydrophobicContact CG2-CB 4.42Å; V310-K324 HydrophobicContact CG2-CG 3.66Å; V310-L347 HydrophobicContact CG2-CD2 3.67Å; V310-T351 WeakPolarHBondContact CG1-OG1 3.41Å; V310-T352 CarbonylContact C-O 3.59Å; V310-T352 WeakPolarHBondContact CA-O 3.47Å; V310-V353 HydrophobicContact CG2-CG2 4.31Å |
| 311 | N | 82.3 | Confident | 77.9 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 111.8 | 162.5 | 176.9 | 30.4 | 0 | 0 | 0 | 109 | S313 T352 I354 | N311-S313 PolarHBondContact ND2-OG 2.78Å; N311-S313 VanDerWaalsContact ND2-OG 3.11Å; N311-S313 WeakPolarHBondContact OD1-CB 3.27Å; N311-S313 PolarHBondContact OD1-N 3.02Å; N311-S313 VanDerWaalsContact OD1-N 3.11Å; N311-S313 PolarHBondContact OD1-OG 3.49Å; N311-S313 VanDerWaalsContact OD1-OG 3.06Å; N311-T352 PolarHBondContact N-O 3.39Å; N311-T352 PolarHBondContact O-N 2.95Å; N311-T352 VanDerWaalsContact O-N 3.1Å; N311-I354 HydrophobicContact CB-CD1 4.06Å; N311-I354 HydrophobicContact CB-CG1 4.2Å |
| 312 | E | 80.8 | Confident | 77.3 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | trans | -94.2 | -0.9 | 178.9 | -50.6 | -153.2 | 115.4 | 0 | 0 | 112.9 | V310 T314 L315 T316 V322 K324 F348 T351 | V310-E312 HydrophobicContact CB-CG 4.29Å; V310-E312 HydrophobicContact CG1-CG 3.92Å; E312-T314 PolarHBondContact O-N 3.1Å; E312-L315 PolarHBondContact O-N 3.37Å; E312-T316 HydrophobicContact CB-CG2 3.83Å; E312-T316 PolarHBondContact O-N 3.46Å; E312-T316 PolarHBondContact O-OG1 3.4Å; E312-T316 VanDerWaalsContact O-OG1 3.08Å; E312-V322 HydrophobicContact CG-CB 4.44Å; E312-V322 HydrophobicContact CG-CG2 4.34Å; E312-K324 VanDerWaalsContact CD-CE 3.4Å; E312-K324 WeakPolarHBondContact OE1-CE 3.49Å; E312-K324 IonicContact OE1-NZ 2.64Å; E312-K324 PolarHBondContact OE1-NZ 3.14Å; E312-K324 VanDerWaalsContact OE2-CE 3.28Å; E312-K324 WeakPolarHBondContact OE2-CE 3.34Å; E312-K324 IonicContact OE2-NZ 2.83Å; E312-K324 PolarHBondContact OE2-NZ 3.02Å; E312-F348 WeakPolarHBondContact OE1-CD2 3.47Å; E312-T351 HydrophobicContact CB-CG2 3.99Å; E312-T351 HydrophobicContact CG-CG2 4Å | ||
| 313 | S | 68.1 | Low | 76.9 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.6 | -27.2 | -171 | 76.8 | 0 | 0 | 0 | 0 | 115 | N311 L315 G317 E318 | N311-S313 PolarHBondContact ND2-OG 2.78Å; N311-S313 VanDerWaalsContact ND2-OG 3.11Å; N311-S313 WeakPolarHBondContact OD1-CB 3.27Å; N311-S313 PolarHBondContact OD1-N 3.02Å; N311-S313 VanDerWaalsContact OD1-N 3.11Å; N311-S313 PolarHBondContact OD1-OG 3.49Å; N311-S313 VanDerWaalsContact OD1-OG 3.06Å; S313-L315 VanDerWaalsContact C-N 3.28Å; S313-L315 PolarHBondContact O-N 3.24Å; S313-G317 WeakPolarHBondContact O-CA 3.44Å; S313-G317 PolarHBondContact O-N 2.85Å; S313-E318 VanDerWaalsContact CA-O 3.22Å; S313-E318 WeakPolarHBondContact CA-O 3.5Å; S313-E318 WeakPolarHBondContact CB-O 3.5Å |
| 314 | T | 66.4 | Low | 76.7 | Confident | 31 Ų | 31 | 34.5 Ų | 34.5 | 19% | 0.19 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.4 | -47.3 | 170.5 | -44.3 | 0 | 0 | 0 | 0 | 111.5 | E312 G350 E1067 A1068 | E312-T314 PolarHBondContact O-N 3.1Å; T314-G350 VanDerWaalsContact CB-O 3.25Å; T314-G350 WeakPolarHBondContact CB-O 3.38Å; T314-G350 WeakPolarHBondContact CG2-O 3.26Å; T314-G350 PolarHBondContact OG1-O 3.07Å; T314-E1067 HydrophobicContact CG2-CB 3.98Å; T314-E1067 HydrophobicContact CG2-CG 3.51Å; T314-E1067 WeakPolarHBondContact CG2-OE2 3.43Å; T314-E1067 WeakPolarHBondContact O-CB 3.15Å; T314-E1067 PolarHBondContact O-N 2.95Å; T314-E1067 VanDerWaalsContact O-N 3.14Å; T314-A1068 PolarHBondContact O-N 2.65Å |
| 315 | L | 66.4 | Low | 76.5 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -98.1 | -34.6 | -171.5 | -170.8 | 69 | 0 | 0 | 0 | 112.5 | E312 S313 F348 T351 V376 K377 A1048 | E312-L315 PolarHBondContact O-N 3.37Å; S313-L315 VanDerWaalsContact C-N 3.28Å; S313-L315 PolarHBondContact O-N 3.24Å; L315-F348 HydrophobicContact CD2-CB 3.55Å; L315-F348 HydrophobicContact CD2-CG 4.12Å; L315-T351 HydrophobicContact CB-CG2 4.27Å; L315-T351 HydrophobicContact CD2-CG2 4.31Å; L315-V376 HydrophobicContact CD1-CG1 4.2Å; L315-V376 HydrophobicContact CD2-CB 4.21Å; L315-V376 HydrophobicContact CD2-CG1 4.06Å; L315-V376 HydrophobicContact CG-CG1 4.43Å; L315-K377 HydrophobicContact CD1-CB 4.35Å; L315-A1048 VanDerWaalsContact O-CB 3.28Å; L315-A1048 WeakPolarHBondContact O-CB 3.47Å |
| 316 | T | 65.1 | Low | 76.4 | Confident | 38 Ų | 38 | 35 Ų | 35 | 23% | 0.233 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -99.4 | -15.7 | -176.5 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | E312 E318 A1048 | E312-T316 HydrophobicContact CB-CG2 3.83Å; E312-T316 PolarHBondContact O-N 3.46Å; E312-T316 PolarHBondContact O-OG1 3.4Å; E312-T316 VanDerWaalsContact O-OG1 3.08Å; T316-E318 PolarHBondContact O-N 2.93Å; T316-E318 PolarHBondContact OG1-N 2.9Å; T316-A1048 WeakPolarHBondContact O-CA 3.28Å; T316-A1048 WeakPolarHBondContact O-CB 3.43Å; T316-A1048 PolarHBondContact O-N 2.91Å |
| 317 | G | 56.4 | Low | 76.2 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | trans | 70.6 | -18.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S313 S319 | S313-G317 WeakPolarHBondContact O-CA 3.44Å; S313-G317 PolarHBondContact O-N 2.85Å; G317-S319 PolarHBondContact O-N 3.18Å | ||
| 318 | E | 64.6 | Low | 75.5 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | trans | -75.8 | 120.8 | -178.1 | -62.3 | -176.8 | 179.3 | 0 | 0 | 110.3 | S313 T316 V320 | S313-E318 VanDerWaalsContact CA-O 3.22Å; S313-E318 WeakPolarHBondContact CA-O 3.5Å; S313-E318 WeakPolarHBondContact CB-O 3.5Å; T316-E318 PolarHBondContact O-N 2.93Å; T316-E318 PolarHBondContact OG1-N 2.9Å; E318-V320 PolarHBondContact O-N 3.22Å; E318-V320 VanDerWaalsContact O-N 3.15Å | ||
| 319 | S | 59.2 | Low | 74.2 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | trans | -75.9 | 6.8 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 115 | G317 | G317-S319 PolarHBondContact O-N 3.18Š| ||
| 320 | V | 71.3 | Confident | 72.9 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 22% | 0.218 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -88.3 | 126.5 | -174.5 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | E318 V322 | E318-V320 PolarHBondContact O-N 3.22Å; E318-V320 VanDerWaalsContact O-N 3.15Å; V320-V322 PolarHBondContact O-N 2.95Å |
| 321 | P | 76.9 | Confident | 71.4 | Confident | 23 Ų | 23 | 51.6 Ų | 51.6 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.6 | 172.3 | 28.8 | -33.6 | 0 | 0 | 0 | 110.4 | I309 V310 I354 I537 A542 | I309-P321 HydrophobicContact CG2-CB 3.89Å; V310-P321 CarbonylContact O-C 3.47Å; V310-P321 WeakPolarHBondContact O-CA 3.42Å; P321-I354 HydrophobicContact CB-CD1 4.04Å; P321-I537 HydrophobicContact CB-CD1 4.12Å; P321-I537 HydrophobicContact CG-CD1 4.08Å; P321-A542 HydrophobicContact CG-CB 3.96Å |
| 322 | V | 80.6 | Confident | 70 | Confident | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.8 | -178.4 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | V310 E312 V320 K324 | V310-V322 PolarHBondContact N-O 3.37Å; V310-V322 PolarHBondContact O-N 3.26Å; E312-V322 HydrophobicContact CG-CB 4.44Å; E312-V322 HydrophobicContact CG-CG2 4.34Å; V320-V322 PolarHBondContact O-N 2.95Å; V322-K324 HydrophobicContact CG1-CD 4.23Å; V322-K324 PolarHBondContact O-N 3.09Å |
| 323 | T | 82.1 | Confident | 68.9 | Low | 67 Ų | 67 | 60.5 Ų | 60.5 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.1 | 170.4 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | C308 | C308-T323 CarbonylContact O-C 3.52Å; C308-T323 WeakPolarHBondContact O-CA 3.39Å |
| 324 | K | 86.4 | Confident | 68.5 | Low | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 141 | 171.8 | -56.3 | -68.6 | 178.1 | 130.4 | 0 | 109.8 | L303 N307 C308 V310 E312 V322 G343 R344 I346 L347 | L303-K324 HydrophobicContact CD2-CB 4.1Å; N307-K324 WeakPolarHBondContact CA-O 3.24Å; C308-K324 HydrophobicContact CB-CB 4.43Å; C308-K324 PolarHBondContact N-O 3.46Å; C308-K324 PolarHBondContact O-N 3.05Å; V310-K324 HydrophobicContact CB-CG 4.43Å; V310-K324 HydrophobicContact CG2-CB 4.42Å; V310-K324 HydrophobicContact CG2-CG 3.66Å; E312-K324 VanDerWaalsContact CD-CE 3.4Å; E312-K324 WeakPolarHBondContact OE1-CE 3.49Å; E312-K324 IonicContact OE1-NZ 2.64Å; E312-K324 PolarHBondContact OE1-NZ 3.14Å; E312-K324 VanDerWaalsContact OE2-CE 3.28Å; E312-K324 WeakPolarHBondContact OE2-CE 3.34Å; E312-K324 IonicContact OE2-NZ 2.83Å; E312-K324 PolarHBondContact OE2-NZ 3.02Å; V322-K324 HydrophobicContact CG1-CD 4.23Å; V322-K324 PolarHBondContact O-N 3.09Å; K324-G343 PolarHBondContact NZ-O 3.23Å; K324-R344 VanDerWaalsContact CA-O 3.31Å; K324-R344 WeakPolarHBondContact CA-O 3.31Å; K324-R344 WeakPolarHBondContact CD-O 3.47Å; K324-I346 WeakPolarHBondContact CD-O 3.45Å; K324-I346 WeakPolarHBondContact CE-O 3.3Å; K324-I346 PolarHBondContact NZ-O 3.5Å; K324-L347 HydrophobicContact CB-CD2 4.2Å; K324-L347 HydrophobicContact CG-CD2 4.07Å |
| 325 | I | 83.7 | Confident | 68.5 | Low | 65 Ų | 65 | 62.1 Ų | 62.1 | 33% | 0.333 | 38% | 0.375 | S | S | . | . | trans | -120.9 | 140.8 | -169.9 | -60.6 | 176.4 | 0 | 0 | 0 | 107.4 | R344 H345 | I325-R344 PolarHBondContact N-O 2.83Å; I325-R344 VanDerWaalsContact N-O 3.12Å; I325-H345 WeakPolarHBondContact O-CA 3.03Å; I325-H345 PolarHBondContact O-ND1 3.37Å | ||
| 326 | P | 84.3 | Confident | 68.5 | Low | 26 Ų | 26 | 66.6 Ų | 66.6 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 157.1 | 179.6 | 25.7 | -32.5 | 0 | 0 | 0 | 111.5 | L303 L304 G306 N307 T328 H345 | L303-P326 HydrophobicContact CG-CB 4.36Å; L303-P326 CarbonylContact O-C 3.57Å; L303-P326 WeakPolarHBondContact O-CA 3.43Å; L304-P326 VanDerWaalsContact O-CB 3.29Å; L304-P326 WeakPolarHBondContact O-CB 3.33Å; G306-P326 VanDerWaalsContact O-CD 3.3Å; G306-P326 WeakPolarHBondContact O-CD 3.5Å; N307-P326 VanDerWaalsContact OD1-CD 3.25Å; N307-P326 WeakPolarHBondContact OD1-CD 3.43Å; P326-T328 PolarHBondContact O-N 3.46Å; P326-H345 PolarHBondContact O-CE1 2.98Å; P326-H345 PolarHBondContact O-ND1 2.96Å |
| 327 | L | 78.4 | Confident | 68.8 | Low | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 118.5 | 179.5 | -164.3 | 71.4 | 0 | 0 | 0 | 109.7 | Y162 I165 L166 I302 L303 F337 H345 | Y162-L327 HydrophobicContact CD1-CD2 4.18Å; Y162-L327 HydrophobicContact CE1-CD1 4.18Å; Y162-L327 HydrophobicContact CE1-CD2 3.84Å; Y162-L327 HydrophobicContact CE1-CG 3.7Å; Y162-L327 HydrophobicContact CE2-CD1 3.92Å; Y162-L327 HydrophobicContact CE2-CD2 4.37Å; Y162-L327 HydrophobicContact CE2-CG 4.3Å; Y162-L327 VanDerWaalsContact OH-CD1 3.27Å; Y162-L327 WeakPolarHBondContact OH-CD1 3.42Å; I165-L327 HydrophobicContact CB-CD2 4.33Å; I165-L327 HydrophobicContact CG2-CD2 3.88Å; L166-L327 HydrophobicContact CD2-CB 4.04Å; L166-L327 HydrophobicContact CD2-CD2 4.02Å; L166-L327 HydrophobicContact CD2-CG 4.21Å; L166-L327 WeakPolarHBondContact CD2-O 3.39Å; L166-L327 HydrophobicContact CG-CD2 4.22Å; I302-L327 HydrophobicContact CG2-CB 4.3Å; I302-L327 HydrophobicContact CG2-CD1 4.48Å; I302-L327 HydrophobicContact CG2-CD2 4.17Å; L303-L327 PolarHBondContact O-N 3.03Å; L327-F337 HydrophobicContact CD1-CD2 4.4Å; L327-F337 HydrophobicContact CD1-CE2 3.78Å; L327-F337 HydrophobicContact CD2-CE2 4.37Å; L327-H345 HydrophobicContact CD1-CB 3.86Å |
| 328 | T | 71 | Confident | 69.4 | Low | 86 Ų | 86 | 66.5 Ų | 66.5 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 143.7 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | Y162 P326 S330 | Y162-T328 WeakPolarHBondContact CE1-O 3.12Å; Y162-T328 PolarHBondContact OH-O 3.05Å; P326-T328 PolarHBondContact O-N 3.46Å; T328-S330 PolarHBondContact O-N 3.28Å |
| 329 | D | 60 | Low | 69.7 | Low | 140 Ų | 140 | 62 Ų | 62 | 75% | 0.749 | 37% | 0.37 | S | S | * | . | trans | -39.9 | 127.4 | -178.8 | -67.5 | -34.3 | 0 | 0 | 0 | 114.4 | ||||
| 330 | S | 57.8 | Low | 70 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | trans | -69.4 | 141.6 | 179.6 | 175 | 0 | 0 | 0 | 0 | 111.7 | T328 S332 T335 | T328-S330 PolarHBondContact O-N 3.28Å; S330-S332 PolarHBondContact O-N 3.39Å; S330-S332 PolarHBondContact OG-O 2.85Å; S330-T335 PolarHBondContact OG-OG1 3.43Å | ||
| 331 | P | 56.8 | Low | 69.8 | Low | 137 Ų | 137 | 71.1 Ų | 71.1 | 89% | 0.89 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -68.2 | -0.1 | -178.5 | 28.4 | -36.9 | 0 | 0 | 0 | 115.6 | ||
| 332 | S | 54.5 | Low | 69.7 | Low | 67 Ų | 67 | 72 Ų | 72 | 47% | 0.469 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -157.8 | 138.4 | 173.9 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | S330 T335 | S330-S332 PolarHBondContact O-N 3.39Å; S330-S332 PolarHBondContact OG-O 2.85Å; S332-T335 WeakPolarHBondContact OG-CG2 3.37Å |
| 333 | K | 57 | Low | 69.4 | Low | 176 Ų | 176 | 70.7 Ų | 70.7 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 145.8 | 177.3 | -73.6 | -170 | 167.7 | -87 | 0 | 112.8 | E163 | E163-K333 WeakPolarHBondContact OE1-CA 3.47Å; E163-K333 VanDerWaalsContact OE1-CB 3.29Å; E163-K333 WeakPolarHBondContact OE1-CB 3.4Å; E163-K333 WeakPolarHBondContact OE1-CG 3.39Å; E163-K333 IonicContact OE2-NZ 2.66Å; E163-K333 PolarHBondContact OE2-NZ 3.31Å |
| 334 | G | 58.6 | Low | 69.2 | Low | 53 Ų | 53 | 73.2 Ų | 73.2 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 13.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | E163 | E163-G334 PolarHBondContact OE1-N 2.95Š|
| 335 | T | 66.6 | Low | 69.2 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | trans | -69.2 | 131.6 | 169.8 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | Y162 S330 S332 | Y162-T335 WeakPolarHBondContact CB-O 3.41Å; Y162-T335 PolarHBondContact N-O 3.31Å; S330-T335 PolarHBondContact OG-OG1 3.43Å; S332-T335 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 336 | L | 67.7 | Low | 69.4 | Low | 114 Ų | 114 | 71.4 Ų | 71.4 | 60% | 0.597 | 39% | 0.391 | S | S | * | . | B | Isolated β-bridge | trans | -72.1 | 146.2 | 171.6 | -59.8 | 178.3 | 0 | 0 | 0 | 111.2 | E159 D338 | E159-L336 WeakPolarHBondContact O-CD2 3.49Å; L336-D338 PolarHBondContact O-N 3.03Å |
| 337 | F | 70.1 | Confident | 69.8 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -85.9 | 105.6 | -179.9 | -179.9 | -97.2 | 0 | 0 | 0 | 112.3 | W157 H158 T160 Y162 I165 I302 L327 I339 H342 I346 | W157-F337 WeakPolarHBondContact O-CD1 3.47Å; H158-F337 VanDerWaalsContact CA-O 3.27Å; H158-F337 WeakPolarHBondContact CA-O 3.49Å; T160-F337 PolarHBondContact O-N 2.91Å; Y162-F337 HydrophobicContact CD2-CD2 4.21Å; Y162-F337 HydrophobicContact CE2-CD2 4.28Å; I165-F337 HydrophobicContact CD1-CB 3.51Å; I165-F337 HydrophobicContact CD1-CD1 4Å; I165-F337 HydrophobicContact CD1-CD2 3.94Å; I165-F337 HydrophobicContact CD1-CG 3.55Å; I302-F337 HydrophobicContact CD1-CD1 4.02Å; I302-F337 HydrophobicContact CD1-CE1 3.42Å; I302-F337 VanDerWaalsContact CD1-CE1 3.42Å; I302-F337 HydrophobicContact CD1-CE2 4.3Å; I302-F337 HydrophobicContact CD1-CZ 3.58Å; I302-F337 HydrophobicContact CG1-CE1 3.94Å; I302-F337 HydrophobicContact CG1-CZ 3.79Å; I302-F337 HydrophobicContact CG2-CE2 4.41Å; I302-F337 HydrophobicContact CG2-CZ 4.18Å; L327-F337 HydrophobicContact CD1-CD2 4.4Å; L327-F337 HydrophobicContact CD1-CE2 3.78Å; L327-F337 HydrophobicContact CD2-CE2 4.37Å; F337-I339 HydrophobicContact CD1-CG1 4.15Å; F337-I339 HydrophobicContact CE1-CG1 3.72Å; F337-H342 HydrophobicContact CD2-CB 4.2Å; F337-H342 AromaticContact CD2-CG 3.97Å; F337-H342 AromaticContact CD2-ND1 3.92Å; F337-H342 HydrophobicContact CE2-CB 3.43Å; F337-H342 VanDerWaalsContact CE2-CB 3.43Å; F337-H342 AromaticContact CE2-CG 3.67Å; F337-H342 HydrophobicContact CZ-CB 3.69Å; F337-I346 HydrophobicContact CE1-CD1 4.05Å; F337-I346 HydrophobicContact CZ-CD1 3.87Å; F337-I346 HydrophobicContact CZ-CG1 4.11Å | ||
| 338 | D | 68.9 | Low | 70.3 | Confident | 60 Ų | 60 | 71.1 Ų | 71.1 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | trans | -89.8 | 119.1 | 170.8 | 178.3 | 16.4 | 0 | 0 | 0 | 112.1 | L336 K340 L341 H342 | L336-D338 PolarHBondContact O-N 3.03Å; D338-K340 VanDerWaalsContact C-N 3.25Å; D338-K340 PolarHBondContact O-N 3.44Å; D338-K340 WeakPolarHBondContact OD1-CB 3.48Å; D338-K340 PolarHBondContact OD1-N 2.78Å; D338-L341 HydrophobicContact CB-CB 4.22Å; D338-L341 HydrophobicContact CB-CD1 4.1Å; D338-L341 HydrophobicContact CB-CG 4.32Å; D338-L341 PolarHBondContact O-N 2.75Å; D338-L341 WeakPolarHBondContact OD2-CG 3.2Å; D338-H342 WeakPolarHBondContact O-CB 3.45Å; D338-H342 PolarHBondContact O-N 3.47Å; D338-H342 PolarHBondContact O-ND1 2.69Å | ||
| 339 | I | 71.3 | Confident | 71.1 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -34.5 | 175.2 | -71.9 | 167 | 0 | 0 | 0 | 112.3 | F337 G343 I346 | F337-I339 HydrophobicContact CD1-CG1 4.15Å; F337-I339 HydrophobicContact CE1-CG1 3.72Å; I339-G343 PolarHBondContact O-N 3.06Å; I339-I346 HydrophobicContact CB-CD1 4.09Å; I339-I346 HydrophobicContact CG1-CD1 4.03Å; I339-I346 HydrophobicContact CG2-CD1 3.82Å |
| 340 | K | 66 | Low | 72.1 | Confident | 185 Ų | 185 | 60.7 Ų | 60.7 | 80% | 0.804 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -33.2 | 179.7 | -64.5 | -178.5 | 178.9 | 178.5 | 0 | 112.1 | D338 | D338-K340 VanDerWaalsContact C-N 3.25Å; D338-K340 PolarHBondContact O-N 3.44Å; D338-K340 WeakPolarHBondContact OD1-CB 3.48Å; D338-K340 PolarHBondContact OD1-N 2.78Å |
| 341 | L | 67.9 | Low | 73.5 | Confident | 138 Ų | 138 | 59 Ų | 59 | 72% | 0.723 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -35.3 | 175.4 | -71.7 | 170.8 | 0 | 0 | 0 | 112.9 | D338 | D338-L341 HydrophobicContact CB-CB 4.22Å; D338-L341 HydrophobicContact CB-CD1 4.1Å; D338-L341 HydrophobicContact CB-CG 4.32Å; D338-L341 PolarHBondContact O-N 2.75Å; D338-L341 WeakPolarHBondContact OD2-CG 3.2Å |
| 342 | H | 74.2 | Confident | 74.9 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | trans | -99.2 | 15.3 | -170 | -61 | 94.4 | 0 | 0 | 0 | 115.2 | Y162 F337 D338 R344 H345 | Y162-H342 AromaticContact CE2-CD2 3.96Å; Y162-H342 AromaticContact CE2-NE2 3.68Å; F337-H342 HydrophobicContact CD2-CB 4.2Å; F337-H342 AromaticContact CD2-CG 3.97Å; F337-H342 AromaticContact CD2-ND1 3.92Å; F337-H342 HydrophobicContact CE2-CB 3.43Å; F337-H342 VanDerWaalsContact CE2-CB 3.43Å; F337-H342 AromaticContact CE2-CG 3.67Å; F337-H342 HydrophobicContact CZ-CB 3.69Å; D338-H342 WeakPolarHBondContact O-CB 3.45Å; D338-H342 PolarHBondContact O-N 3.47Å; D338-H342 PolarHBondContact O-ND1 2.69Å; H342-R344 PolarHBondContact O-N 2.66Å; H342-H345 PolarHBondContact O-CD2 2.5Å; H342-H345 PolarHBondContact O-N 3.05Å | ||
| 343 | G | 74.5 | Confident | 76.6 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -6.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | K324 I339 | K324-G343 PolarHBondContact NZ-O 3.23Å; I339-G343 PolarHBondContact O-N 3.06Å |
| 344 | R | 77.2 | Confident | 77.9 | Confident | 120 Ų | 120 | 46.1 Ų | 46.1 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.9 | 169 | -68.6 | -175.7 | 174.2 | -160.5 | -9.4 | 114 | K324 I325 H342 F609 | K324-R344 VanDerWaalsContact CA-O 3.31Å; K324-R344 WeakPolarHBondContact CA-O 3.31Å; K324-R344 WeakPolarHBondContact CD-O 3.47Å; I325-R344 PolarHBondContact N-O 2.83Å; I325-R344 VanDerWaalsContact N-O 3.12Å; H342-R344 PolarHBondContact O-N 2.66Å; R344-F609 PolarHBondContact NH2-O 2.87Å |
| 345 | H | 86.4 | Confident | 79.1 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 13% | 0.13 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -104.3 | 6.3 | 179.3 | -50 | -76.8 | 0 | 0 | 0 | 111.9 | I302 L303 I325 P326 L327 H342 | I302-H345 CarbonylContact C-O 3.06Å; I302-H345 WeakPolarHBondContact CA-O 3.34Å; L303-H345 PolarHBondContact N-O 3.5Å; I325-H345 WeakPolarHBondContact O-CA 3.03Å; I325-H345 PolarHBondContact O-ND1 3.37Å; P326-H345 PolarHBondContact O-CE1 2.98Å; P326-H345 PolarHBondContact O-ND1 2.96Å; L327-H345 HydrophobicContact CD1-CB 3.86Å; H342-H345 PolarHBondContact O-CD2 2.5Å; H342-H345 PolarHBondContact O-N 3.05Å |
| 346 | I | 89.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.7 | -173.6 | -55 | 177.2 | 0 | 0 | 0 | 110.2 | A301 I302 K324 F337 I339 F348 | A301-I346 CarbonylContact O-C 3.56Å; A301-I346 WeakPolarHBondContact O-CA 3.19Å; I302-I346 HydrophobicContact CG1-CG1 4.36Å; K324-I346 WeakPolarHBondContact CD-O 3.45Å; K324-I346 WeakPolarHBondContact CE-O 3.3Å; K324-I346 PolarHBondContact NZ-O 3.5Å; F337-I346 HydrophobicContact CE1-CD1 4.05Å; F337-I346 HydrophobicContact CZ-CD1 3.87Å; F337-I346 HydrophobicContact CZ-CG1 4.11Å; I339-I346 HydrophobicContact CB-CD1 4.09Å; I339-I346 HydrophobicContact CG1-CD1 4.03Å; I339-I346 HydrophobicContact CG2-CD1 3.82Å; I346-F348 HydrophobicContact CB-CE1 4.13Å; I346-F348 HydrophobicContact CB-CZ 4.07Å; I346-F348 HydrophobicContact CG2-CD1 3.74Å; I346-F348 HydrophobicContact CG2-CE1 3.53Å; I346-F348 HydrophobicContact CG2-CG 4.36Å; I346-F348 HydrophobicContact CG2-CZ 3.98Å |
| 347 | L | 91.5 | Very high | 80.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.8 | 163.9 | -53 | 177.6 | 0 | 0 | 0 | 107.4 | I290 V297 D300 A301 C308 V310 K324 V353 A366 | I290-L347 HydrophobicContact CD1-CD1 3.74Å; I290-L347 HydrophobicContact CG1-CD1 3.98Å; V297-L347 HydrophobicContact CG1-CB 4.06Å; V297-L347 HydrophobicContact CG2-CB 4.28Å; D300-L347 CarbonylContact C-O 3.59Å; D300-L347 WeakPolarHBondContact CA-O 3.03Å; A301-L347 PolarHBondContact N-O 3.04Å; A301-L347 PolarHBondContact O-N 3.27Å; C308-L347 HydrophobicContact CB-CD2 3.99Å; V310-L347 HydrophobicContact CG2-CD2 3.67Å; K324-L347 HydrophobicContact CB-CD2 4.2Å; K324-L347 HydrophobicContact CG-CD2 4.07Å; L347-V353 HydrophobicContact CD2-CG2 4.43Å; L347-A366 HydrophobicContact CD1-CB 4.36Å |
| 348 | F | 89.8 | Confident | 80.3 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -99.8 | 147.3 | -177.6 | -62.1 | -70.5 | 0 | 0 | 0 | 112.5 | V297 D300 E312 L315 I346 G350 T351 V376 | V297-F348 WeakPolarHBondContact CB-O 3.4Å; V297-F348 WeakPolarHBondContact CG1-O 3.24Å; D300-F348 WeakPolarHBondContact OD1-CA 3.48Å; E312-F348 WeakPolarHBondContact OE1-CD2 3.47Å; L315-F348 HydrophobicContact CD2-CB 3.55Å; L315-F348 HydrophobicContact CD2-CG 4.12Å; I346-F348 HydrophobicContact CB-CE1 4.13Å; I346-F348 HydrophobicContact CB-CZ 4.07Å; I346-F348 HydrophobicContact CG2-CD1 3.74Å; I346-F348 HydrophobicContact CG2-CE1 3.53Å; I346-F348 HydrophobicContact CG2-CG 4.36Å; I346-F348 HydrophobicContact CG2-CZ 3.98Å; F348-G350 PolarHBondContact O-N 2.92Å; F348-T351 HydrophobicContact CB-CG2 3.96Å; F348-T351 WeakPolarHBondContact O-CB 3.44Å; F348-T351 WeakPolarHBondContact O-CG2 3.48Å; F348-T351 PolarHBondContact O-N 3.37Å; F348-T351 VanDerWaalsContact O-N 3.16Å; F348-T351 PolarHBondContact O-OG1 3.36Å; F348-V376 HydrophobicContact CD1-CG2 3.76Å; F348-V376 HydrophobicContact CE1-CG2 4.01Å |
| 349 | A | 87.5 | Confident | 79.9 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V297 D300 T351 T375 K377 | V297-A349 CarbonylContact O-C 3.43Å; V297-A349 WeakPolarHBondContact O-CA 3.4Å; D300-A349 PolarHBondContact OD1-N 2.85Å; A349-T351 VanDerWaalsContact C-N 3.34Å; A349-T375 HydrophobicContact CB-CG2 3.95Å; A349-K377 HydrophobicContact CB-CB 4.04Å; A349-K377 WeakPolarHBondContact O-CB 3.49Å |
| 350 | G | 81.4 | Confident | 79.5 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -10.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V297 T314 F348 | V297-G350 PolarHBondContact O-N 3.41Å; T314-G350 VanDerWaalsContact CB-O 3.25Å; T314-G350 WeakPolarHBondContact CB-O 3.38Å; T314-G350 WeakPolarHBondContact CG2-O 3.26Å; T314-G350 PolarHBondContact OG1-O 3.07Å; F348-G350 PolarHBondContact O-N 2.92Å |
| 351 | T | 86.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -80.3 | 152.7 | 173.5 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | V297 V310 E312 L315 F348 A349 | V297-T351 WeakPolarHBondContact CB-O 3.34Å; V297-T351 WeakPolarHBondContact CG2-O 3.4Å; V297-T351 PolarHBondContact N-O 2.93Å; V310-T351 WeakPolarHBondContact CG1-OG1 3.41Å; E312-T351 HydrophobicContact CB-CG2 3.99Å; E312-T351 HydrophobicContact CG-CG2 4Å; L315-T351 HydrophobicContact CB-CG2 4.27Å; L315-T351 HydrophobicContact CD2-CG2 4.31Å; F348-T351 HydrophobicContact CB-CG2 3.96Å; F348-T351 WeakPolarHBondContact O-CB 3.44Å; F348-T351 WeakPolarHBondContact O-CG2 3.48Å; F348-T351 PolarHBondContact O-N 3.37Å; F348-T351 VanDerWaalsContact O-N 3.16Å; F348-T351 PolarHBondContact O-OG1 3.36Å; A349-T351 VanDerWaalsContact C-N 3.34Å | ||
| 352 | T | 87.1 | Confident | 79.9 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.7 | 175.8 | 50 | 0 | 0 | 0 | 0 | 111.1 | C295 L296 V310 N311 I354 | C295-T352 CarbonylContact O-C 3.48Å; C295-T352 WeakPolarHBondContact O-CA 3.33Å; L296-T352 HydrophobicContact CB-CG2 4.35Å; L296-T352 HydrophobicContact CD1-CG2 3.72Å; V310-T352 CarbonylContact C-O 3.59Å; V310-T352 WeakPolarHBondContact CA-O 3.47Å; N311-T352 PolarHBondContact N-O 3.39Å; N311-T352 PolarHBondContact O-N 2.95Å; N311-T352 VanDerWaalsContact O-N 3.1Å; T352-I354 PolarHBondContact O-N 2.97Å |
| 353 | V | 89.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.5 | 163.6 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | I290 G294 C295 V297 C308 V310 L347 T356 | I290-V353 HydrophobicContact CG2-CB 4.27Å; I290-V353 HydrophobicContact CG2-CG1 3.92Å; I290-V353 HydrophobicContact CG2-CG2 3.97Å; G294-V353 CarbonylContact C-O 3.58Å; G294-V353 WeakPolarHBondContact CA-O 3.48Å; C295-V353 PolarHBondContact N-O 3.42Å; C295-V353 PolarHBondContact O-N 3.45Å; V297-V353 HydrophobicContact CG2-CG2 3.79Å; C308-V353 HydrophobicContact CB-CG1 4.21Å; V310-V353 HydrophobicContact CG2-CG2 4.31Å; L347-V353 HydrophobicContact CD2-CG2 4.43Å; V353-T356 HydrophobicContact CG1-CG2 4.29Å |
| 354 | I | 85 | Confident | 81.1 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -46.3 | 177.4 | -49.7 | 177.4 | 0 | 0 | 0 | 109.5 | I309 N311 P321 T352 I537 | I309-I354 HydrophobicContact CG2-CB 4.49Å; I309-I354 HydrophobicContact CG2-CD1 4.13Å; I309-I354 PolarHBondContact O-N 2.89Å; N311-I354 HydrophobicContact CB-CD1 4.06Å; N311-I354 HydrophobicContact CB-CG1 4.2Å; P321-I354 HydrophobicContact CB-CD1 4.04Å; T352-I354 PolarHBondContact O-N 2.97Å; I354-I537 HydrophobicContact CD1-CD1 3.87Å; I354-I537 HydrophobicContact CG2-CG2 3.76Å |
| 355 | Q | 83.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 143.6 | -175 | -167.5 | -170.3 | 25.9 | 0 | 0 | 109.8 | I309 | I309-Q355 PolarHBondContact N-O 3.21Å |
| 356 | T | 83.9 | Confident | 82.1 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 142.3 | 164.7 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | I290 R292 N307 V353 V364 | I290-T356 HydrophobicContact CB-CG2 4.09Å; I290-T356 HydrophobicContact CG2-CG2 3.6Å; R292-T356 WeakPolarHBondContact CA-OG1 3.48Å; N307-T356 CarbonylContact O-C 3.59Å; N307-T356 WeakPolarHBondContact O-CA 3.39Å; V353-T356 HydrophobicContact CG1-CG2 4.29Å; T356-V364 HydrophobicContact CG2-CB 4.13Å; T356-V364 HydrophobicContact CG2-CG1 4Å; T356-V364 HydrophobicContact CG2-CG2 4.09Å |
| 357 | R | 74.2 | Confident | 82.2 | Confident | 72 Ų | 72 | 49 Ų | 49 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118.4 | 172.2 | -64.5 | -177.5 | 175.8 | -162.5 | -2.4 | 109.3 | N307 E560 | N307-R357 HydrophobicContact CB-CB 4.48Å; N307-R357 PolarHBondContact N-O 3.46Å; N307-R357 PolarHBondContact O-N 3.5Å; R357-E560 IonicContact CZ-OE1 3.48Å; R357-E560 IonicContact CZ-OE2 3.29Å; R357-E560 IonicContact NH1-OE1 3.18Å; R357-E560 PolarHBondContact NH1-OE1 3.41Å; R357-E560 IonicContact NH1-OE2 3.4Å; R357-E560 VanDerWaalsContact NH2-CD 3.34Å; R357-E560 IonicContact NH2-OE1 2.91Å; R357-E560 PolarHBondContact NH2-OE1 3.44Å; R357-E560 IonicContact NH2-OE2 2.69Å; R357-E560 PolarHBondContact NH2-OE2 3.01Å |
| 358 | N | 70.1 | Confident | 82.3 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | trans | -139.2 | 158.8 | 175.1 | -155 | 8.1 | 0 | 0 | 0 | 111.3 | E362 V364 | N358-E362 VanDerWaalsContact ND2-C 3.33Å; N358-E362 VanDerWaalsContact ND2-CB 3.31Å; N358-E362 WeakPolarHBondContact ND2-CB 3.25Å; N358-E362 PolarHBondContact ND2-O 3.07Å; N358-V364 HydrophobicContact CB-CG2 3.99Å | ||
| 359 | Y | 62 | Low | 82.2 | Confident | 176 Ų | 176 | 47.8 Ų | 47.8 | 69% | 0.69 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -85.6 | 153.5 | 175.2 | -66.5 | -85.6 | 0 | 0 | 0 | 110.6 | D361 E362 | Y359-D361 PolarHBondContact O-N 3.3Å; Y359-E362 PolarHBondContact O-N 3.07Å |
| 360 | A | 62.7 | Low | 82.3 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 80% | 0.802 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 30.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E362 | A360-E362 PolarHBondContact O-N 3.02Å; A360-E362 VanDerWaalsContact O-N 3.17Å |
| 361 | D | 66.1 | Low | 82.7 | Confident | 112 Ų | 112 | 49.5 Ų | 49.5 | 60% | 0.599 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 11.5 | 176 | -115 | 38.5 | 0 | 0 | 0 | 116 | R292 Y359 | R292-D361 IonicContact CZ-OD1 2.73Å; R292-D361 IonicContact CZ-OD2 3.6Å; R292-D361 IonicContact NH1-OD1 2.66Å; R292-D361 PolarHBondContact NH1-OD1 3.45Å; R292-D361 IonicContact NH1-OD2 3.14Å; R292-D361 PolarHBondContact NH1-OD2 3.05Å; R292-D361 PolarHBondContact NH2-O 2.91Å; R292-D361 IonicContact NH2-OD1 2.76Å; R292-D361 PolarHBondContact NH2-OD1 3.36Å; R292-D361 IonicContact NH2-OD2 3.02Å; R292-D361 PolarHBondContact NH2-OD2 3.13Å; Y359-D361 PolarHBondContact O-N 3.3Å |
| 362 | E | 76 | Confident | 82.8 | Confident | 126 Ų | 126 | 49.8 Ų | 49.8 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | trans | -63.4 | 154.4 | -179.9 | -73.3 | -173.8 | 170.1 | 0 | 0 | 114.2 | N358 Y359 A360 | N358-E362 VanDerWaalsContact ND2-C 3.33Å; N358-E362 VanDerWaalsContact ND2-CB 3.31Å; N358-E362 WeakPolarHBondContact ND2-CB 3.25Å; N358-E362 PolarHBondContact ND2-O 3.07Å; Y359-E362 PolarHBondContact O-N 3.07Å; A360-E362 PolarHBondContact O-N 3.02Å; A360-E362 VanDerWaalsContact O-N 3.17Å | ||
| 363 | R | 84.1 | Confident | 82.7 | Confident | 124 Ų | 124 | 48.5 Ų | 48.5 | 47% | 0.468 | 24% | 0.237 | S | C | . | . | trans | -70.6 | 141.8 | 179.4 | -62.1 | -175.6 | -176.1 | -145.7 | 9 | 112.2 | E289 T305 L365 | E289-R363 VanDerWaalsContact OE1-CD 3.31Å; E289-R363 WeakPolarHBondContact OE1-CD 3.22Å; E289-R363 WeakPolarHBondContact OE1-CG 3.49Å; E289-R363 IonicContact OE1-CZ 3.57Å; E289-R363 IonicContact OE1-NE 2.69Å; E289-R363 IonicContact OE1-NH1 3.54Å; E289-R363 IonicContact OE2-CZ 2.61Å; E289-R363 IonicContact OE2-NE 2.83Å; E289-R363 IonicContact OE2-NH1 2.66Å; E289-R363 PolarHBondContact OE2-NH1 3.49Å; T305-R363 PolarHBondContact OG1-O 2.84Å; R363-L365 HydrophobicContact CB-CD2 4.22Å | ||
| 364 | V | 89.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | E289 I290 L303 T305 T356 N358 | E289-V364 WeakPolarHBondContact CA-O 3.42Å; I290-V364 HydrophobicContact CB-CB 4.32Å; I290-V364 HydrophobicContact CB-CG1 3.9Å; I290-V364 HydrophobicContact CG1-CG1 4.2Å; I290-V364 PolarHBondContact N-O 3.34Å; L303-V364 HydrophobicContact CD1-CG1 3.88Å; T305-V364 WeakPolarHBondContact O-CA 3.37Å; T305-V364 VanDerWaalsContact O-CG1 3.27Å; T305-V364 WeakPolarHBondContact O-CG1 3.34Å; T356-V364 HydrophobicContact CG2-CB 4.13Å; T356-V364 HydrophobicContact CG2-CG1 4Å; T356-V364 HydrophobicContact CG2-CG2 4.09Å; N358-V364 HydrophobicContact CB-CG2 3.99Å |
| 365 | L | 92 | Very high | 82.7 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.3 | -171.9 | -57.4 | -179.8 | 0 | 0 | 0 | 111.4 | F274 I287 I288 E289 L304 T305 R363 | F274-L365 HydrophobicContact CE1-CD2 3.72Å; F274-L365 HydrophobicContact CZ-CD2 3.89Å; I287-L365 HydrophobicContact CG2-CB 4.33Å; I288-L365 WeakPolarHBondContact O-CA 3.45Å; E289-L365 HydrophobicContact CB-CD2 4.13Å; L304-L365 WeakPolarHBondContact CA-O 3.49Å; L304-L365 WeakPolarHBondContact CB-O 3.09Å; L304-L365 PolarHBondContact N-O 3.09Å; T305-L365 PolarHBondContact N-O 2.77Å; T305-L365 VanDerWaalsContact N-O 3.15Å; T305-L365 PolarHBondContact O-N 3.3Å; T305-L365 WeakPolarHBondContact OG1-CB 3.47Å; T305-L365 PolarHBondContact OG1-N 3.09Å; R363-L365 HydrophobicContact CB-CD2 4.22Å |
| 366 | A | 92.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 151.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I287 I288 I290 A301 I302 L303 L347 | I287-A366 CarbonylContact C-O 3.57Å; I287-A366 WeakPolarHBondContact CA-O 3.46Å; I288-A366 HydrophobicContact CG1-CB 4.19Å; I288-A366 WeakPolarHBondContact CG1-O 3.3Å; I288-A366 PolarHBondContact N-O 3.33Å; I288-A366 PolarHBondContact O-N 3.48Å; I290-A366 HydrophobicContact CD1-CB 4.44Å; I290-A366 HydrophobicContact CG1-CB 4.48Å; A301-A366 HydrophobicContact CB-CB 4.13Å; I302-A366 CarbonylContact O-C 3.57Å; I302-A366 WeakPolarHBondContact O-CA 3.41Å; I302-A366 WeakPolarHBondContact O-CB 3.44Å; L303-A366 HydrophobicContact CD1-CB 4.39Å; L347-A366 HydrophobicContact CD1-CB 4.36Å |
| 367 | V | 92.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.3 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 111.2 | W157 I165 D286 I287 A301 I302 L304 A369 | W157-V367 HydrophobicContact CH2-CG2 3.66Å; W157-V367 HydrophobicContact CZ2-CG2 4.29Å; W157-V367 HydrophobicContact CZ3-CG1 4.07Å; W157-V367 HydrophobicContact CZ3-CG2 3.92Å; I165-V367 HydrophobicContact CG2-CG1 3.99Å; D286-V367 CarbonylContact O-C 3.58Å; D286-V367 WeakPolarHBondContact O-CA 3.41Å; I287-V367 HydrophobicContact CG1-CB 4.47Å; I287-V367 HydrophobicContact CG1-CG2 4.45Å; A301-V367 CarbonylContact C-O 3.59Å; A301-V367 VanDerWaalsContact CA-O 3.24Å; A301-V367 WeakPolarHBondContact CA-O 3.47Å; I302-V367 HydrophobicContact CB-CG1 4.01Å; I302-V367 PolarHBondContact N-O 2.98Å; I302-V367 PolarHBondContact O-N 3.21Å; L304-V367 HydrophobicContact CD1-CB 4.1Å; L304-V367 HydrophobicContact CD1-CG1 4.29Å; L304-V367 HydrophobicContact CD2-CG1 4.02Å; L304-V367 HydrophobicContact CG-CG1 4.25Å; V367-A369 PolarHBondContact O-N 3.17Å |
| 368 | V | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.5 | -178.6 | -180 | 0 | 0 | 0 | 0 | 110 | P284 G285 D286 I288 C299 T371 | P284-V368 CarbonylContact C-O 3.49Å; P284-V368 VanDerWaalsContact CA-O 3.3Å; P284-V368 WeakPolarHBondContact CA-O 3.41Å; G285-V368 PolarHBondContact N-O 2.91Å; D286-V368 HydrophobicContact CB-CB 4.36Å; D286-V368 HydrophobicContact CB-CG2 4Å; D286-V368 WeakPolarHBondContact O-CG2 3.12Å; D286-V368 PolarHBondContact O-N 2.85Å; I288-V368 HydrophobicContact CD1-CG2 4.35Å; I288-V368 HydrophobicContact CG1-CG2 4.48Å; I288-V368 HydrophobicContact CG2-CG2 3.99Å; C299-V368 HydrophobicContact CB-CG1 3.99Å; V368-T371 HydrophobicContact CG1-CG2 3.63Å |
| 369 | A | 89 | Confident | 83.1 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -32.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | W157 D300 I302 V367 | W157-A369 HydrophobicContact CB-CB 3.91Å; W157-A369 HydrophobicContact CG-CB 4.09Å; D300-A369 WeakPolarHBondContact O-CA 3.38Å; D300-A369 PolarHBondContact O-N 2.88Å; I302-A369 HydrophobicContact CD1-CB 3.89Å; I302-A369 HydrophobicContact CG1-CB 3.96Å; V367-A369 PolarHBondContact O-N 3.17Å |
| 370 | R | 88.8 | Confident | 83.5 | Confident | 42 Ų | 42 | 35.4 Ų | 35.4 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 149.1 | 174.3 | -49.9 | -170.3 | -178.5 | -173.4 | -0.4 | 112.3 | C299 D300 Y374 T375 | C299-R370 WeakPolarHBondContact CB-O 3.4Å; D300-R370 HydrophobicContact CB-CB 4.09Å; D300-R370 HydrophobicContact CB-CG 4.46Å; D300-R370 PolarHBondContact N-O 3.09Å; D300-R370 PolarHBondContact O-N 3.31Å; R370-Y374 WeakPolarHBondContact CD-O 3.41Å; R370-Y374 PolarHBondContact NH1-O 2.86Å; R370-T375 HydrophobicContact CB-CG2 4.23Å; R370-T375 WeakPolarHBondContact O-CG2 3.1Å |
| 371 | T | 90.8 | Very high | 84.2 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -130.5 | 156.7 | -179.2 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | N186 P284 C299 V368 F373 Y374 | N186-T371 HydrophobicContact CB-CG2 3.97Å; N186-T371 WeakPolarHBondContact OD1-CA 3.08Å; N186-T371 WeakPolarHBondContact OD1-CB 3.49Å; P284-T371 HydrophobicContact CG-CG2 4.4Å; C299-T371 HydrophobicContact CB-CG2 4.4Å; V368-T371 HydrophobicContact CG1-CG2 3.63Å; T371-F373 PolarHBondContact O-N 2.96Å; T371-Y374 WeakPolarHBondContact O-CB 3.33Å; T371-Y374 PolarHBondContact O-N 3.41Å; T371-Y374 VanDerWaalsContact O-N 3.13Å | ||
| 372 | G | 87.7 | Confident | 84.8 | Confident | 5 Ų | 5 | 26 Ų | 26 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | 51.7 | -131.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N186 Y374 T375 | N186-G372 PolarHBondContact OD1-N 3.4Å; G372-Y374 PolarHBondContact O-N 3.45Å; G372-Y374 VanDerWaalsContact O-N 3.12Å; G372-T375 PolarHBondContact O-N 2.97Å; G372-T375 VanDerWaalsContact O-N 3.12Å; G372-T375 PolarHBondContact O-OG1 3Å |
| 373 | F | 86.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 20.6 Ų | 20.6 | 9% | 0.088 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -66.6 | -5.7 | -178.8 | -70 | -81.2 | 0 | 0 | 0 | 115.5 | C139 L140 I188 T371 V381 R382 L385 | C139-F373 HydrophobicContact CB-CB 4.25Å; C139-F373 HydrophobicContact CB-CD1 3.61Å; C139-F373 HydrophobicContact CB-CD2 3.71Å; C139-F373 HydrophobicContact CB-CE1 3.76Å; C139-F373 HydrophobicContact CB-CE2 3.86Å; C139-F373 HydrophobicContact CB-CG 3.58Å; C139-F373 HydrophobicContact CB-CZ 3.89Å; L140-F373 HydrophobicContact CD2-CB 4.44Å; I188-F373 HydrophobicContact CB-CZ 4.46Å; I188-F373 HydrophobicContact CG2-CD1 4.36Å; I188-F373 HydrophobicContact CG2-CE1 3.7Å; I188-F373 HydrophobicContact CG2-CE2 4.47Å; I188-F373 HydrophobicContact CG2-CZ 3.77Å; T371-F373 PolarHBondContact O-N 2.96Å; F373-V381 HydrophobicContact CE1-CG1 4.46Å; F373-R382 PolarHBondContact O-NH1 3.34Å; F373-L385 HydrophobicContact CE1-CD1 4.24Å |
| 374 | Y | 86.5 | Confident | 83.7 | Confident | 26 Ų | 26 | 16 Ų | 16 | 10% | 0.102 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -87.4 | -18.2 | 172.4 | -61 | -85.4 | 0 | 0 | 0 | 113.1 | L140 K141 L153 P154 R370 T371 G372 | L140-Y374 HydrophobicContact CD2-CD1 3.96Å; L140-Y374 HydrophobicContact CD2-CE1 3.87Å; L140-Y374 HydrophobicContact CD2-CG 4.48Å; K141-Y374 PolarHBondContact N-OH 2.83Å; K141-Y374 VanDerWaalsContact N-OH 3.11Å; K141-Y374 PolarHBondContact O-OH 3.19Å; L153-Y374 HydrophobicContact CD2-CE1 4.36Å; P154-Y374 HydrophobicContact CG-CE1 4.35Å; R370-Y374 WeakPolarHBondContact CD-O 3.41Å; R370-Y374 PolarHBondContact NH1-O 2.86Å; T371-Y374 WeakPolarHBondContact O-CB 3.33Å; T371-Y374 PolarHBondContact O-N 3.41Å; T371-Y374 VanDerWaalsContact O-N 3.13Å; G372-Y374 PolarHBondContact O-N 3.45Å; G372-Y374 VanDerWaalsContact O-N 3.12Å |
| 375 | T | 86.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -67.5 | 161 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 112 | D300 A349 R370 G372 K377 G378 E379 | D300-T375 HydrophobicContact CB-CG2 4.45Å; D300-T375 WeakPolarHBondContact OD2-CA 3.31Å; D300-T375 WeakPolarHBondContact OD2-CB 3.48Å; A349-T375 HydrophobicContact CB-CG2 3.95Å; R370-T375 HydrophobicContact CB-CG2 4.23Å; R370-T375 WeakPolarHBondContact O-CG2 3.1Å; G372-T375 PolarHBondContact O-N 2.97Å; G372-T375 VanDerWaalsContact O-N 3.12Å; G372-T375 PolarHBondContact O-OG1 3Å; T375-K377 PolarHBondContact O-N 3.48Å; T375-G378 CarbonylContact O-C 3.54Å; T375-G378 WeakPolarHBondContact O-CA 3.29Å; T375-G378 PolarHBondContact O-N 3.03Å; T375-G378 PolarHBondContact OG1-N 3.39Å; T375-E379 PolarHBondContact O-N 2.97Å |
| 376 | V | 80.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 20.4 Ų | 20.4 | 33% | 0.327 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -57.9 | -38.6 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | D300 L315 F348 E379 L380 | D300-V376 PolarHBondContact OD2-N 3.14Å; L315-V376 HydrophobicContact CD1-CG1 4.2Å; L315-V376 HydrophobicContact CD2-CB 4.21Å; L315-V376 HydrophobicContact CD2-CG1 4.06Å; L315-V376 HydrophobicContact CG-CG1 4.43Å; F348-V376 HydrophobicContact CD1-CG2 3.76Å; F348-V376 HydrophobicContact CE1-CG2 4.01Å; V376-E379 PolarHBondContact O-N 3.26Å; V376-L380 PolarHBondContact O-N 2.85Å; V376-L380 VanDerWaalsContact O-N 3.12Å |
| 377 | K | 80.7 | Confident | 80.4 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 171 | 177.6 | 163.9 | 176.1 | 158.3 | 0 | 112.4 | I188 L315 A349 T375 E379 L380 V381 E1067 | I188-K377 HydrophobicContact CD1-CG 4.05Å; L315-K377 HydrophobicContact CD1-CB 4.35Å; A349-K377 HydrophobicContact CB-CB 4.04Å; A349-K377 WeakPolarHBondContact O-CB 3.49Å; T375-K377 PolarHBondContact O-N 3.48Å; K377-E379 VanDerWaalsContact C-N 3.29Å; K377-E379 PolarHBondContact O-N 3.36Å; K377-L380 WeakPolarHBondContact O-CB 3.28Å; K377-L380 PolarHBondContact O-N 2.7Å; K377-V381 WeakPolarHBondContact O-CG2 3.43Å; K377-V381 PolarHBondContact O-N 3Å; K377-E1067 WeakPolarHBondContact CD-OE2 3.47Å; K377-E1067 WeakPolarHBondContact CE-OE2 3.34Å; K377-E1067 IonicContact NZ-OE1 3.3Å; K377-E1067 PolarHBondContact NZ-OE1 2.65Å; K377-E1067 IonicContact NZ-OE2 3.45Å; K377-E1067 PolarHBondContact NZ-OE2 3.46Å |
| 378 | G | 81.2 | Confident | 79 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T375 V381 R382 | T375-G378 CarbonylContact O-C 3.54Å; T375-G378 WeakPolarHBondContact O-CA 3.29Å; T375-G378 PolarHBondContact O-N 3.03Å; T375-G378 PolarHBondContact OG1-N 3.39Å; G378-V381 PolarHBondContact O-N 3.29Å; G378-R382 WeakPolarHBondContact O-CB 3.25Å; G378-R382 PolarHBondContact O-N 3.06Å |
| 379 | E | 77.8 | Confident | 77.5 | Confident | 61 Ų | 61 | 31.2 Ų | 31.2 | 29% | 0.285 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 173.6 | 178.9 | 159.2 | 128 | 0 | 0 | 112.3 | T375 V376 K377 V381 R382 S383 | T375-E379 PolarHBondContact O-N 2.97Å; V376-E379 PolarHBondContact O-N 3.26Å; K377-E379 VanDerWaalsContact C-N 3.29Å; K377-E379 PolarHBondContact O-N 3.36Å; E379-V381 VanDerWaalsContact C-N 3.31Å; E379-V381 PolarHBondContact O-N 3.45Å; E379-R382 PolarHBondContact O-N 3.02Å; E379-R382 IonicContact OE2-NH1 3.5Å; E379-R382 IonicContact OE2-NH2 3.74Å; E379-R382 PolarHBondContact OE2-NH2 3.32Å; E379-S383 WeakPolarHBondContact O-CB 3.31Å; E379-S383 PolarHBondContact O-N 3.47Å |
| 380 | L | 71.9 | Confident | 76 | Confident | 21 Ų | 21 | 34.5 Ų | 34.5 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 172.5 | -177.7 | 70 | 0 | 0 | 0 | 111.9 | V376 K377 S383 I384 C1051 A1071 | V376-L380 PolarHBondContact O-N 2.85Å; V376-L380 VanDerWaalsContact O-N 3.12Å; K377-L380 WeakPolarHBondContact O-CB 3.28Å; K377-L380 PolarHBondContact O-N 2.7Å; L380-S383 VanDerWaalsContact O-CB 3.23Å; L380-S383 WeakPolarHBondContact O-CB 3.33Å; L380-S383 PolarHBondContact O-N 2.87Å; L380-I384 HydrophobicContact CG-CD1 4.35Å; L380-I384 WeakPolarHBondContact O-CD1 3.36Å; L380-I384 WeakPolarHBondContact O-CG1 3.33Å; L380-I384 PolarHBondContact O-N 3.44Å; L380-I384 VanDerWaalsContact O-N 3.08Å; L380-C1051 VanDerWaalsContact CD1-SG 3.55Å; L380-A1071 HydrophobicContact CD1-CB 3.94Å |
| 381 | V | 76.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.5 | -40.3 | 178 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | I188 I190 M256 F373 K377 G378 E379 S383 I384 L385 | I188-V381 HydrophobicContact CG2-CB 4.08Å; I188-V381 HydrophobicContact CG2-CG1 3.73Å; I188-V381 HydrophobicContact CG2-CG2 4.29Å; I190-V381 HydrophobicContact CD1-CG1 4.08Å; M256-V381 HydrophobicContact CE-CG2 4.1Å; M256-V381 HydrophobicContact CG-CG1 4.29Å; M256-V381 HydrophobicContact CG-CG2 4.15Å; M256-V381 HydrophobicContact SD-CG2 3.47Å; M256-V381 WeakPolarHBondContact SD-CG2 3.14Å; F373-V381 HydrophobicContact CE1-CG1 4.46Å; K377-V381 WeakPolarHBondContact O-CG2 3.43Å; K377-V381 PolarHBondContact O-N 3Å; G378-V381 PolarHBondContact O-N 3.29Å; E379-V381 VanDerWaalsContact C-N 3.31Å; E379-V381 PolarHBondContact O-N 3.45Å; V381-S383 PolarHBondContact O-N 3.34Å; V381-I384 PolarHBondContact O-N 3.06Å; V381-I384 VanDerWaalsContact O-N 3.12Å; V381-L385 HydrophobicContact CG1-CD1 3.93Å; V381-L385 HydrophobicContact CG1-CG 4.3Å; V381-L385 WeakPolarHBondContact O-CG 3.46Å; V381-L385 PolarHBondContact O-N 2.83Å |
| 382 | R | 77.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -43.8 | 170 | -178.3 | 179.3 | 75.9 | -118.4 | 5.2 | 110.7 | D24 K138 F373 G378 E379 I384 L385 F386 | D24-R382 IonicContact OD1-CZ 3.08Å; D24-R382 IonicContact OD1-NE 3.18Å; D24-R382 IonicContact OD1-NH2 3Å; D24-R382 PolarHBondContact OD1-NH2 3.33Å; K138-R382 HydrophobicContact CB-CG 4.19Å; K138-R382 WeakPolarHBondContact O-CD 3.32Å; K138-R382 WeakPolarHBondContact O-CG 3.11Å; F373-R382 PolarHBondContact O-NH1 3.34Å; G378-R382 WeakPolarHBondContact O-CB 3.25Å; G378-R382 PolarHBondContact O-N 3.06Å; E379-R382 PolarHBondContact O-N 3.02Å; E379-R382 IonicContact OE2-NH1 3.5Å; E379-R382 IonicContact OE2-NH2 3.74Å; E379-R382 PolarHBondContact OE2-NH2 3.32Å; R382-I384 VanDerWaalsContact C-N 3.33Å; R382-I384 PolarHBondContact O-N 3.48Å; R382-L385 PolarHBondContact O-N 3.19Å; R382-F386 HydrophobicContact CG-CD2 4.05Å; R382-F386 WeakPolarHBondContact O-CD2 3.41Å; R382-F386 PolarHBondContact O-N 2.98Å |
| 383 | S | 67.7 | Low | 71.4 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 175.9 | 154.7 | 0 | 0 | 0 | 0 | 113.6 | E379 L380 V381 K1055 | E379-S383 WeakPolarHBondContact O-CB 3.31Å; E379-S383 PolarHBondContact O-N 3.47Å; L380-S383 VanDerWaalsContact O-CB 3.23Å; L380-S383 WeakPolarHBondContact O-CB 3.33Å; L380-S383 PolarHBondContact O-N 2.87Å; V381-S383 PolarHBondContact O-N 3.34Å; S383-K1055 WeakPolarHBondContact OG-CD 3.36Å; S383-K1055 WeakPolarHBondContact OG-CE 3.48Å; S383-K1055 PolarHBondContact OG-NZ 2.98Å |
| 384 | I | 69.9 | Low | 70.5 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.4 | -40.3 | 175.4 | -68.4 | 158.4 | 0 | 0 | 0 | 111.7 | L252 M256 L380 V381 R382 V1070 A1071 | L252-I384 HydrophobicContact CD1-CG2 3.9Å; M256-I384 HydrophobicContact CE-CD1 3.84Å; L380-I384 HydrophobicContact CG-CD1 4.35Å; L380-I384 WeakPolarHBondContact O-CD1 3.36Å; L380-I384 WeakPolarHBondContact O-CG1 3.33Å; L380-I384 PolarHBondContact O-N 3.44Å; L380-I384 VanDerWaalsContact O-N 3.08Å; V381-I384 PolarHBondContact O-N 3.06Å; V381-I384 VanDerWaalsContact O-N 3.12Å; R382-I384 VanDerWaalsContact C-N 3.33Å; R382-I384 PolarHBondContact O-N 3.48Å; I384-V1070 HydrophobicContact CD1-CB 4.08Å; I384-V1070 HydrophobicContact CD1-CG1 3.96Å; I384-A1071 HydrophobicContact CG1-CB 4.24Å |
| 385 | L | 71.5 | Confident | 69.4 | Low | 55 Ų | 55 | 48.7 Ų | 48.7 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72.1 | -32.4 | -178.1 | -73.3 | 171.1 | 0 | 0 | 0 | 113.5 | I190 L252 F373 V381 R382 P387 | I190-L385 HydrophobicContact CD1-CD1 4.32Å; I190-L385 HydrophobicContact CD1-CD2 4.37Å; I190-L385 HydrophobicContact CG1-CD1 4.37Å; I190-L385 HydrophobicContact CG2-CD2 4.28Å; L252-L385 HydrophobicContact CD2-CD2 3.85Å; F373-L385 HydrophobicContact CE1-CD1 4.24Å; V381-L385 HydrophobicContact CG1-CD1 3.93Å; V381-L385 HydrophobicContact CG1-CG 4.3Å; V381-L385 WeakPolarHBondContact O-CG 3.46Å; V381-L385 PolarHBondContact O-N 2.83Å; R382-L385 PolarHBondContact O-N 3.19Å; L385-P387 VanDerWaalsContact C-CD 3.4Å; L385-P387 WeakPolarHBondContact O-CD 3.47Å |
| 386 | F | 71.8 | Confident | 68.6 | Low | 76 Ų | 76 | 53.6 Ų | 53.6 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -122.6 | 66 | -177.6 | -55.1 | -74.5 | 0 | 0 | 0 | 111.3 | K138 R382 | K138-F386 HydrophobicContact CB-CD2 3.85Å; K138-F386 HydrophobicContact CB-CE2 4.02Å; K138-F386 HydrophobicContact CB-CG 4.3Å; K138-F386 HydrophobicContact CG-CB 4.38Å; K138-F386 HydrophobicContact CG-CD1 4.32Å; K138-F386 HydrophobicContact CG-CD2 4.07Å; K138-F386 HydrophobicContact CG-CE2 4.49Å; K138-F386 HydrophobicContact CG-CG 3.98Å; R382-F386 HydrophobicContact CG-CD2 4.05Å; R382-F386 WeakPolarHBondContact O-CD2 3.41Å; R382-F386 PolarHBondContact O-N 2.98Å |
| 387 | P | 62.3 | Low | 68.3 | Low | 80 Ų | 80 | 51.4 Ų | 51.4 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | trans | -68 | 147.6 | -177 | 29.5 | -35.8 | 0 | 0 | 0 | 111.9 | L385 | L385-P387 VanDerWaalsContact C-CD 3.4Å; L385-P387 WeakPolarHBondContact O-CD 3.47Å | ||
| 388 | K | 62.2 | Low | 67.9 | Low | 87 Ų | 87 | 51.3 Ų | 51.3 | 38% | 0.378 | 26% | 0.257 | S | S | . | . | trans | -55.1 | 126 | 174.5 | -75.5 | -179.6 | 170 | 170.7 | 0 | 109.5 | L390 E1032 | K388-L390 PolarHBondContact O-N 3.01Å; K388-E1032 IonicContact NZ-OE1 2.76Å; K388-E1032 PolarHBondContact NZ-OE1 3.08Å | ||
| 389 | P | 61 | Low | 67.6 | Low | 60 Ų | 60 | 56.7 Ų | 56.7 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | -69.8 | 103.2 | -170.6 | 26.4 | -34.7 | 0 | 0 | 0 | 112 | H87 V89 K391 | H87-P389 HydrophobicContact CB-CG 3.88Å; V89-P389 HydrophobicContact CG2-CG 4.18Å; P389-K391 PolarHBondContact O-N 3.16Å; P389-K391 VanDerWaalsContact O-N 3.09Å | ||
| 390 | L | 57.3 | Low | 67.6 | Low | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 29% | 0.288 | S | S | . | . | trans | -58.5 | 111.5 | 175.1 | -70.9 | 170.8 | 0 | 0 | 0 | 110.4 | K388 F392 V473 | K388-L390 PolarHBondContact O-N 3.01Å; L390-F392 PolarHBondContact O-N 3.15Å; L390-V473 HydrophobicContact CD1-CG2 3.8Å | ||
| 391 | K | 53.7 | Low | 67.9 | Low | 153 Ų | 153 | 59 Ų | 59 | 67% | 0.665 | 29% | 0.286 | S | S | * | . | trans | -75.9 | 59.8 | -177.4 | -67.7 | 179.2 | 179 | 173.7 | 0 | 112 | P389 K393 | P389-K391 PolarHBondContact O-N 3.16Å; P389-K391 VanDerWaalsContact O-N 3.09Å; K391-K393 PolarHBondContact O-N 2.77Å | ||
| 392 | F | 55.6 | Low | 67.9 | Low | 42 Ų | 42 | 61.4 Ų | 61.4 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | trans | -69.6 | 96.4 | 178.7 | -170.7 | -126.6 | 0 | 0 | 0 | 110.5 | L390 F394 N475 V476 L1095 M1162 | L390-F392 PolarHBondContact O-N 3.15Å; F392-F394 HydrophobicContact CD1-CB 3.64Å; F392-F394 HydrophobicContact CE1-CB 3.24Å; F392-F394 HydrophobicContact CE1-CD1 4.16Å; F392-F394 HydrophobicContact CE1-CD2 4.49Å; F392-F394 AromaticContact CE1-CG 3.75Å; F392-F394 HydrophobicContact CE1-CG 3.75Å; F392-F394 HydrophobicContact CE2-CB 4.17Å; F392-F394 HydrophobicContact CG-CB 4.26Å; F392-F394 HydrophobicContact CZ-CB 3.52Å; F392-F394 HydrophobicContact CZ-CD2 4.38Å; F392-F394 HydrophobicContact CZ-CG 4.04Å; F392-F394 PolarHBondContact O-N 3.13Å; F392-N475 HydrophobicContact CE1-CB 4.13Å; F392-N475 HydrophobicContact CE2-CB 4.23Å; F392-N475 HydrophobicContact CZ-CB 3.62Å; F392-V476 HydrophobicContact CD2-CG2 3.9Å; F392-V476 HydrophobicContact CE2-CG2 4.34Å; F392-V476 HydrophobicContact CG-CG2 4.47Å; F392-L1095 HydrophobicContact CE2-CD1 4.26Å; F392-L1095 HydrophobicContact CZ-CD1 3.82Å; F392-M1162 HydrophobicContact CD2-SD 4.15Å; F392-M1162 HydrophobicContact CE2-SD 3.81Å | ||
| 393 | K | 61.2 | Low | 68 | Low | 110 Ų | 110 | 67.7 Ų | 67.7 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.4 | -13.5 | -170.8 | -68.1 | 177.7 | -178.6 | 171.4 | 0 | 114.4 | K391 T395 Q396 D397 | K391-K393 PolarHBondContact O-N 2.77Å; K393-T395 PolarHBondContact O-N 2.97Å; K393-Q396 PolarHBondContact O-N 3.3Å; K393-D397 WeakPolarHBondContact O-CB 3.4Å; K393-D397 PolarHBondContact O-N 3.49Å |
| 394 | F | 65.9 | Low | 68.7 | Low | 12 Ų | 12 | 69.7 Ų | 69.7 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -50.7 | -56.2 | 176.9 | -175.9 | -88.2 | 0 | 0 | 0 | 112.3 | F392 Q396 D397 S398 M450 F1099 L1164 | F392-F394 HydrophobicContact CD1-CB 3.64Å; F392-F394 HydrophobicContact CE1-CB 3.24Å; F392-F394 HydrophobicContact CE1-CD1 4.16Å; F392-F394 HydrophobicContact CE1-CD2 4.49Å; F392-F394 AromaticContact CE1-CG 3.75Å; F392-F394 HydrophobicContact CE1-CG 3.75Å; F392-F394 HydrophobicContact CE2-CB 4.17Å; F392-F394 HydrophobicContact CG-CB 4.26Å; F392-F394 HydrophobicContact CZ-CB 3.52Å; F392-F394 HydrophobicContact CZ-CD2 4.38Å; F392-F394 HydrophobicContact CZ-CG 4.04Å; F392-F394 PolarHBondContact O-N 3.13Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; F394-Q396 PolarHBondContact O-N 2.99Å; F394-D397 CarbonylContact O-C 3.57Å; F394-D397 WeakPolarHBondContact O-CA 3.46Å; F394-D397 PolarHBondContact O-N 2.82Å; F394-S398 PolarHBondContact O-N 3.36Å; F394-S398 PolarHBondContact O-OG 3.07Å; F394-S398 VanDerWaalsContact O-OG 3.09Å; F394-M450 HydrophobicContact CE1-CE 4.29Å; F394-M450 HydrophobicContact CE1-SD 3.61Å; F394-M450 HydrophobicContact CZ-SD 3.72Å; F394-F1099 HydrophobicContact CD2-CD2 4.16Å; F394-F1099 AromaticContact CD2-CE2 3.53Å; F394-F1099 HydrophobicContact CD2-CE2 3.53Å; F394-F1099 HydrophobicContact CD2-CZ 4.12Å; F394-F1099 AromaticContact CE2-CD2 3.75Å; F394-F1099 HydrophobicContact CE2-CD2 3.75Å; F394-F1099 AromaticContact CE2-CE2 3.61Å; F394-F1099 HydrophobicContact CE2-CE2 3.61Å; F394-F1099 HydrophobicContact CE2-CZ 4.33Å; F394-L1164 HydrophobicContact CD2-CD1 3.82Å; F394-L1164 HydrophobicContact CE2-CD1 3.39Å; F394-L1164 HydrophobicContact CZ-CD1 4.01Å |
| 395 | T | 63.6 | Low | 69.1 | Low | 76 Ų | 76 | 69.1 Ų | 69.1 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | -175.9 | -40.8 | 0 | 0 | 0 | 0 | 111.9 | K393 S398 F399 | K393-T395 PolarHBondContact O-N 2.97Å; T395-S398 WeakPolarHBondContact O-CB 3.33Å; T395-S398 PolarHBondContact O-N 2.89Å; T395-F399 HydrophobicContact CG2-CD2 4.4Å; T395-F399 HydrophobicContact CG2-CE2 4.01Å; T395-F399 WeakPolarHBondContact O-CD2 3.14Å; T395-F399 PolarHBondContact O-N 2.78Å; T395-F399 VanDerWaalsContact O-N 3.07Å |
| 396 | Q | 70.8 | Confident | 69.4 | Low | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 174 | -169.5 | -176.4 | 62 | 0 | 0 | 111.9 | K393 F394 F399 R400 | K393-Q396 PolarHBondContact O-N 3.3Å; F394-Q396 VanDerWaalsContact C-N 3.32Å; F394-Q396 PolarHBondContact O-N 2.99Å; Q396-F399 PolarHBondContact O-N 3.08Å; Q396-R400 WeakPolarHBondContact O-CG 3.49Å; Q396-R400 PolarHBondContact O-N 2.79Å; Q396-R400 VanDerWaalsContact OE1-CZ 3.26Å |
| 397 | D | 72.6 | Confident | 70.1 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 174.3 | -81.4 | 0.2 | 0 | 0 | 0 | 111.8 | K393 F394 R400 F401 R1163 L1164 V1165 | K393-D397 WeakPolarHBondContact O-CB 3.4Å; K393-D397 PolarHBondContact O-N 3.49Å; F394-D397 CarbonylContact O-C 3.57Å; F394-D397 WeakPolarHBondContact O-CA 3.46Å; F394-D397 PolarHBondContact O-N 2.82Å; D397-R400 PolarHBondContact O-N 3Å; D397-R400 IonicContact OD1-CZ 3.7Å; D397-R400 IonicContact OD1-NH1 3.96Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; D397-F401 WeakPolarHBondContact O-CB 3.32Å; D397-F401 PolarHBondContact O-N 3.01Å; D397-R1163 WeakPolarHBondContact OD2-CA 3.49Å; D397-R1163 WeakPolarHBondContact OD2-CB 3.49Å; D397-L1164 HydrophobicContact CB-CB 3.7Å; D397-L1164 PolarHBondContact OD2-N 3.5Å; D397-V1165 HydrophobicContact CB-CG2 4.14Å |
| 398 | S | 72.7 | Confident | 71 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 6% | 0.056 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 170.8 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | F394 T395 F401 I402 L1164 | F394-S398 PolarHBondContact O-N 3.36Å; F394-S398 PolarHBondContact O-OG 3.07Å; F394-S398 VanDerWaalsContact O-OG 3.09Å; T395-S398 WeakPolarHBondContact O-CB 3.33Å; T395-S398 PolarHBondContact O-N 2.89Å; S398-F401 WeakPolarHBondContact O-CB 3.24Å; S398-F401 PolarHBondContact O-N 3.47Å; S398-I402 WeakPolarHBondContact O-CG1 3.13Å; S398-I402 PolarHBondContact O-N 2.97Å; S398-L1164 WeakPolarHBondContact OG-CD2 3.49Å |
| 399 | F | 74.5 | Confident | 71.9 | Confident | 114 Ų | 114 | 65 Ų | 65 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.1 | -75.4 | -63.5 | 0 | 0 | 0 | 112.6 | T395 Q396 F401 I402 F403 | T395-F399 HydrophobicContact CG2-CD2 4.4Å; T395-F399 HydrophobicContact CG2-CE2 4.01Å; T395-F399 WeakPolarHBondContact O-CD2 3.14Å; T395-F399 PolarHBondContact O-N 2.78Å; T395-F399 VanDerWaalsContact O-N 3.07Å; Q396-F399 PolarHBondContact O-N 3.08Å; F399-F401 PolarHBondContact O-N 3.24Å; F399-I402 PolarHBondContact O-N 2.94Å; F399-F403 WeakPolarHBondContact O-CB 3.48Å; F399-F403 PolarHBondContact O-N 2.87Å |
| 400 | R | 79.6 | Confident | 73.2 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 171.6 | -72.3 | 175.3 | 177.7 | 118 | 10.6 | 112.2 | Q396 D397 A404 V1165 | Q396-R400 WeakPolarHBondContact O-CG 3.49Å; Q396-R400 PolarHBondContact O-N 2.79Å; Q396-R400 VanDerWaalsContact OE1-CZ 3.26Å; D397-R400 PolarHBondContact O-N 3Å; D397-R400 IonicContact OD1-CZ 3.7Å; D397-R400 IonicContact OD1-NH1 3.96Å; D397-R400 PolarHBondContact OD1-NH1 2.95Å; R400-A404 PolarHBondContact O-N 2.9Å; R400-V1165 HydrophobicContact CB-CG2 4.42Å |
| 401 | F | 77.5 | Confident | 74.6 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.1 | -44.4 | -178.9 | -167 | -74 | 0 | 0 | 0 | 111.3 | D397 S398 F399 F403 A404 L405 F1102 V1106 L1164 L1170 L1173 | D397-F401 WeakPolarHBondContact O-CB 3.32Å; D397-F401 PolarHBondContact O-N 3.01Å; S398-F401 WeakPolarHBondContact O-CB 3.24Å; S398-F401 PolarHBondContact O-N 3.47Å; F399-F401 PolarHBondContact O-N 3.24Å; F401-F403 VanDerWaalsContact C-N 3.26Å; F401-F403 PolarHBondContact O-N 3.44Å; F401-A404 WeakPolarHBondContact O-CA 3.38Å; F401-A404 WeakPolarHBondContact O-CB 3.48Å; F401-A404 PolarHBondContact O-N 3.15Å; F401-L405 HydrophobicContact CD1-CD1 3.97Å; F401-L405 HydrophobicContact CD1-CD2 4.49Å; F401-L405 HydrophobicContact CD1-CG 3.94Å; F401-L405 HydrophobicContact CE1-CD1 3.8Å; F401-L405 HydrophobicContact CE1-CD2 3.74Å; F401-L405 HydrophobicContact CE1-CG 3.67Å; F401-L405 HydrophobicContact CZ-CD2 4.45Å; F401-L405 PolarHBondContact O-N 3.34Å; F401-F1102 HydrophobicContact CB-CZ 4.15Å; F401-F1102 AromaticContact CD1-CE1 3.72Å; F401-F1102 HydrophobicContact CD1-CE1 3.72Å; F401-F1102 AromaticContact CD1-CZ 3.55Å; F401-F1102 HydrophobicContact CD1-CZ 3.55Å; F401-F1102 HydrophobicContact CD2-CE1 4.17Å; F401-F1102 AromaticContact CE1-CE1 3.95Å; F401-F1102 HydrophobicContact CE1-CE1 3.95Å; F401-F1102 HydrophobicContact CE1-CZ 4.14Å; F401-F1102 HydrophobicContact CE2-CE1 4.36Å; F401-F1102 AromaticContact CG-CE1 3.86Å; F401-F1102 HydrophobicContact CG-CE1 3.86Å; F401-F1102 AromaticContact CG-CZ 3.81Å; F401-F1102 HydrophobicContact CG-CZ 3.81Å; F401-F1102 HydrophobicContact CZ-CE1 4.27Å; F401-V1106 HydrophobicContact CD1-CG2 4.22Å; F401-V1106 HydrophobicContact CE1-CB 4.25Å; F401-V1106 HydrophobicContact CE1-CG1 3.61Å; F401-V1106 HydrophobicContact CE1-CG2 3.74Å; F401-V1106 HydrophobicContact CZ-CG1 4.04Å; F401-L1164 HydrophobicContact CB-CD2 4.41Å; F401-L1170 HydrophobicContact CD2-CD2 4.43Å; F401-L1170 HydrophobicContact CE2-CD2 3.78Å; F401-L1173 HydrophobicContact CE1-CD2 4.45Å; F401-L1173 HydrophobicContact CE2-CD2 4.43Å; F401-L1173 HydrophobicContact CZ-CD2 3.6Å |
| 402 | I | 75.6 | Confident | 76.1 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 172.5 | -68.4 | 163.4 | 0 | 0 | 0 | 110.5 | S398 F399 A404 L405 S406 | S398-I402 WeakPolarHBondContact O-CG1 3.13Å; S398-I402 PolarHBondContact O-N 2.97Å; F399-I402 PolarHBondContact O-N 2.94Å; I402-A404 VanDerWaalsContact C-N 3.35Å; I402-A404 PolarHBondContact O-N 2.9Å; I402-L405 WeakPolarHBondContact O-CB 3.39Å; I402-L405 PolarHBondContact O-N 3.02Å; I402-S406 PolarHBondContact O-N 3.19Å |
| 403 | F | 81.6 | Confident | 77.5 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 61% | 0.614 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.8 | -36 | 172.9 | -176.7 | -98.5 | 0 | 0 | 0 | 113.1 | F399 F401 S406 I407 | F399-F403 WeakPolarHBondContact O-CB 3.48Å; F399-F403 PolarHBondContact O-N 2.87Å; F401-F403 VanDerWaalsContact C-N 3.26Å; F401-F403 PolarHBondContact O-N 3.44Å; F403-S406 PolarHBondContact O-N 2.78Å; F403-S406 PolarHBondContact O-OG 3.37Å; F403-I407 HydrophobicContact CD1-CD1 4.13Å; F403-I407 HydrophobicContact CE1-CD1 3.77Å; F403-I407 HydrophobicContact CZ-CD1 4.35Å; F403-I407 WeakPolarHBondContact O-CG1 3.39Å; F403-I407 PolarHBondContact O-N 2.92Å |
| 404 | A | 80.9 | Confident | 78.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.4 | -36.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R400 F401 I402 L408 | R400-A404 PolarHBondContact O-N 2.9Å; F401-A404 WeakPolarHBondContact O-CA 3.38Å; F401-A404 WeakPolarHBondContact O-CB 3.48Å; F401-A404 PolarHBondContact O-N 3.15Å; I402-A404 VanDerWaalsContact C-N 3.35Å; I402-A404 PolarHBondContact O-N 2.9Å; A404-L408 PolarHBondContact O-N 2.95Å |
| 405 | L | 78.7 | Confident | 79.7 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 172.5 | -64.1 | 176.5 | 0 | 0 | 0 | 112 | F401 I402 I407 L408 A409 V441 V1106 M1110 | F401-L405 HydrophobicContact CD1-CD1 3.97Å; F401-L405 HydrophobicContact CD1-CD2 4.49Å; F401-L405 HydrophobicContact CD1-CG 3.94Å; F401-L405 HydrophobicContact CE1-CD1 3.8Å; F401-L405 HydrophobicContact CE1-CD2 3.74Å; F401-L405 HydrophobicContact CE1-CG 3.67Å; F401-L405 HydrophobicContact CZ-CD2 4.45Å; F401-L405 PolarHBondContact O-N 3.34Å; I402-L405 WeakPolarHBondContact O-CB 3.39Å; I402-L405 PolarHBondContact O-N 3.02Å; L405-I407 VanDerWaalsContact C-N 3.31Å; L405-I407 PolarHBondContact O-N 3.19Å; L405-L408 CarbonylContact O-C 3.53Å; L405-L408 WeakPolarHBondContact O-CB 3.25Å; L405-L408 PolarHBondContact O-N 3.24Å; L405-L408 VanDerWaalsContact O-N 3.1Å; L405-A409 PolarHBondContact O-N 2.88Å; L405-V441 HydrophobicContact CB-CG1 3.79Å; L405-V1106 HydrophobicContact CD1-CG1 3.96Å; L405-V1106 HydrophobicContact CD1-CG2 4.15Å; L405-V1106 HydrophobicContact CD2-CG1 3.8Å; L405-V1106 HydrophobicContact CG-CG1 4.47Å; L405-M1110 HydrophobicContact CB-CE 4.36Å; L405-M1110 HydrophobicContact CD2-CE 3.91Å; L405-M1110 HydrophobicContact CD2-CG 4.02Å; L405-M1110 HydrophobicContact CD2-SD 4.2Å |
| 406 | S | 78.7 | Confident | 80.7 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.8 | -27.5 | 179.8 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | I402 F403 A409 V410 | I402-S406 PolarHBondContact O-N 3.19Å; F403-S406 PolarHBondContact O-N 2.78Å; F403-S406 PolarHBondContact O-OG 3.37Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.33Å; S406-V410 VanDerWaalsContact O-CG2 3.23Å; S406-V410 WeakPolarHBondContact O-CG2 3.42Å; S406-V410 PolarHBondContact O-N 2.87Å |
| 407 | I | 85.1 | Confident | 81.4 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 46% | 0.456 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 168 | -67.4 | 166.1 | 0 | 0 | 0 | 110.6 | F403 L405 A409 V410 I411 | F403-I407 HydrophobicContact CD1-CD1 4.13Å; F403-I407 HydrophobicContact CE1-CD1 3.77Å; F403-I407 HydrophobicContact CZ-CD1 4.35Å; F403-I407 WeakPolarHBondContact O-CG1 3.39Å; F403-I407 PolarHBondContact O-N 2.92Å; L405-I407 VanDerWaalsContact C-N 3.31Å; L405-I407 PolarHBondContact O-N 3.19Å; I407-A409 VanDerWaalsContact C-N 3.32Å; I407-V410 PolarHBondContact O-N 3.35Å; I407-I411 HydrophobicContact CG2-CD1 4.25Å; I407-I411 WeakPolarHBondContact O-CG1 3.46Å; I407-I411 PolarHBondContact O-N 2.97Å; I407-I411 VanDerWaalsContact O-N 3.12Å |
| 408 | L | 81.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 176.7 | -172.1 | 60.4 | 0 | 0 | 0 | 111.7 | A404 L405 I411 G412 M1110 | A404-L408 PolarHBondContact O-N 2.95Å; L405-L408 CarbonylContact O-C 3.53Å; L405-L408 WeakPolarHBondContact O-CB 3.25Å; L405-L408 PolarHBondContact O-N 3.24Å; L405-L408 VanDerWaalsContact O-N 3.1Å; L408-I411 PolarHBondContact O-N 3.47Å; L408-G412 PolarHBondContact O-N 3Å; L408-M1110 HydrophobicContact CD2-CE 4.45Å; L408-M1110 HydrophobicContact CD2-SD 3.63Å; L408-M1110 HydrophobicContact CG-SD 4.48Å |
| 409 | A | 81.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57 | -50 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L405 S406 I407 I411 G412 L413 V441 F1113 | L405-A409 PolarHBondContact O-N 2.88Å; S406-A409 WeakPolarHBondContact O-CB 3.48Å; S406-A409 PolarHBondContact O-N 3.33Å; I407-A409 VanDerWaalsContact C-N 3.32Å; A409-I411 VanDerWaalsContact C-N 3.29Å; A409-I411 PolarHBondContact O-N 3.36Å; A409-G412 PolarHBondContact O-N 3.22Å; A409-L413 WeakPolarHBondContact O-CB 3.3Å; A409-L413 PolarHBondContact O-N 2.91Å; A409-V441 HydrophobicContact CB-CB 4.4Å; A409-V441 HydrophobicContact CB-CG1 4.34Å; A409-V441 HydrophobicContact CB-CG2 3.81Å; A409-F1113 HydrophobicContact CB-CE2 4.37Å |
| 410 | V | 87.5 | Confident | 82.9 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 58% | 0.582 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.8 | -33.8 | 178.6 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | S406 I407 G414 | S406-V410 VanDerWaalsContact O-CG2 3.23Å; S406-V410 WeakPolarHBondContact O-CG2 3.42Å; S406-V410 PolarHBondContact O-N 2.87Å; I407-V410 PolarHBondContact O-N 3.35Å; V410-G414 PolarHBondContact O-N 3.22Å |
| 411 | I | 87.9 | Confident | 83.1 | Confident | 103 Ų | 103 | 57 Ų | 57 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.3 | -49.7 | 174.7 | -66.8 | 165.8 | 0 | 0 | 0 | 110.9 | I407 L408 A409 L413 G414 V415 | I407-I411 HydrophobicContact CG2-CD1 4.25Å; I407-I411 WeakPolarHBondContact O-CG1 3.46Å; I407-I411 PolarHBondContact O-N 2.97Å; I407-I411 VanDerWaalsContact O-N 3.12Å; L408-I411 PolarHBondContact O-N 3.47Å; A409-I411 VanDerWaalsContact C-N 3.29Å; A409-I411 PolarHBondContact O-N 3.36Å; I411-L413 VanDerWaalsContact C-N 3.3Å; I411-L413 PolarHBondContact O-N 3.34Å; I411-G414 PolarHBondContact O-N 3.22Å; I411-V415 PolarHBondContact O-N 3.36Å |
| 412 | G | 84.1 | Confident | 83.4 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L408 A409 G414 V415 S416 | L408-G412 PolarHBondContact O-N 3Å; A409-G412 PolarHBondContact O-N 3.22Å; G412-G414 PolarHBondContact O-N 3.38Å; G412-V415 WeakPolarHBondContact O-CB 3.43Å; G412-V415 PolarHBondContact O-N 3.37Å; G412-S416 PolarHBondContact O-N 2.64Å; G412-S416 PolarHBondContact O-OG 3.01Å |
| 413 | L | 86 | Confident | 83.4 | Confident | 30 Ų | 30 | 66.4 Ų | 66.4 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 173.4 | 179.7 | 61.6 | 0 | 0 | 0 | 112.5 | A409 I411 V415 S416 I417 A434 L437 V438 | A409-L413 WeakPolarHBondContact O-CB 3.3Å; A409-L413 PolarHBondContact O-N 2.91Å; I411-L413 VanDerWaalsContact C-N 3.3Å; I411-L413 PolarHBondContact O-N 3.34Å; L413-V415 VanDerWaalsContact C-N 3.29Å; L413-V415 PolarHBondContact O-N 2.84Å; L413-S416 PolarHBondContact O-N 2.99Å; L413-I417 HydrophobicContact CD1-CD1 3.79Å; L413-I417 HydrophobicContact CD1-CG1 4.12Å; L413-I417 HydrophobicContact CG-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.47Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.14Å; L413-I417 PolarHBondContact O-N 2.59Å; L413-A434 VanDerWaalsContact CD1-CA 3.45Å; L413-A434 HydrophobicContact CD1-CB 3.59Å; L413-A434 WeakPolarHBondContact CD1-O 3.31Å; L413-L437 HydrophobicContact CB-CD2 4.31Å; L413-L437 HydrophobicContact CD1-CD2 4.35Å; L413-V438 HydrophobicContact CD2-CG2 4.16Å |
| 414 | G | 88 | Confident | 83.3 | Confident | 42 Ų | 42 | 67.4 Ų | 67.4 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | V410 I411 G412 Y418 | V410-G414 PolarHBondContact O-N 3.22Å; I411-G414 PolarHBondContact O-N 3.22Å; G412-G414 PolarHBondContact O-N 3.38Å; G414-Y418 WeakPolarHBondContact O-CB 3.37Å; G414-Y418 PolarHBondContact O-N 3.09Å; G414-Y418 VanDerWaalsContact O-N 3.12Å |
| 415 | V | 85.3 | Confident | 83.1 | Confident | 71 Ų | 71 | 66 Ų | 66 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -48.2 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | I411 G412 L413 I417 Y418 L419 | I411-V415 PolarHBondContact O-N 3.36Å; G412-V415 WeakPolarHBondContact O-CB 3.43Å; G412-V415 PolarHBondContact O-N 3.37Å; L413-V415 VanDerWaalsContact C-N 3.29Å; L413-V415 PolarHBondContact O-N 2.84Å; V415-I417 PolarHBondContact O-N 2.81Å; V415-Y418 PolarHBondContact O-N 3.48Å; V415-L419 HydrophobicContact CG1-CD1 3.96Å; V415-L419 HydrophobicContact CG1-CG 4.46Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.79Å |
| 416 | S | 83.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 179.3 | -71.6 | 0 | 0 | 0 | 0 | 113 | G412 L413 L419 M420 | G412-S416 PolarHBondContact O-N 2.64Å; G412-S416 PolarHBondContact O-OG 3.01Å; L413-S416 PolarHBondContact O-N 2.99Å; S416-L419 PolarHBondContact O-N 3.2Å; S416-M420 WeakPolarHBondContact O-CB 3.43Å; S416-M420 WeakPolarHBondContact O-CE 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.26Å; S416-M420 PolarHBondContact O-N 3.45Å |
| 417 | I | 86.8 | Confident | 83.7 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.5 | -70.2 | 170.3 | 0 | 0 | 0 | 110.4 | L413 V415 L419 M420 I421 I430 A434 | L413-I417 HydrophobicContact CD1-CD1 3.79Å; L413-I417 HydrophobicContact CD1-CG1 4.12Å; L413-I417 HydrophobicContact CG-CD1 3.84Å; L413-I417 WeakPolarHBondContact O-CB 3.47Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.14Å; L413-I417 PolarHBondContact O-N 2.59Å; V415-I417 PolarHBondContact O-N 2.81Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 2.92Å; I417-M420 PolarHBondContact O-N 3.26Å; I417-I421 HydrophobicContact CG2-CD1 3.68Å; I417-I421 HydrophobicContact CG2-CG1 4.37Å; I417-I421 WeakPolarHBondContact O-CB 3.11Å; I417-I421 VanDerWaalsContact O-CG1 3.29Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.46Å; I417-I430 HydrophobicContact CG1-CG2 4.26Å; I417-I430 HydrophobicContact CG2-CG2 4.44Å; I417-A434 HydrophobicContact CD1-CB 4.3Å; I417-A434 HydrophobicContact CG1-CB 4.46Å |
| 418 | Y | 86.5 | Confident | 83.5 | Confident | 135 Ų | 135 | 68.2 Ų | 68.2 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 176.1 | 171.1 | -103.5 | 0 | 0 | 0 | 112.4 | G414 V415 R422 | G414-Y418 WeakPolarHBondContact O-CB 3.37Å; G414-Y418 PolarHBondContact O-N 3.09Å; G414-Y418 VanDerWaalsContact O-N 3.12Å; V415-Y418 PolarHBondContact O-N 3.48Å; Y418-R422 PolarHBondContact O-N 2.86Å; Y418-R422 VanDerWaalsContact O-N 3.11Å; Y418-R422 PolarHBondContact OH-NE 3.19Å |
| 419 | L | 82 | Confident | 83.4 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 176.5 | -71.1 | 171.2 | 0 | 0 | 0 | 112.3 | V415 S416 I417 R422 A423 | V415-L419 HydrophobicContact CG1-CD1 3.96Å; V415-L419 HydrophobicContact CG1-CG 4.46Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 2.79Å; S416-L419 PolarHBondContact O-N 3.2Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 2.92Å; L419-R422 CarbonylContact O-C 3.5Å; L419-R422 WeakPolarHBondContact O-CB 3.31Å; L419-R422 PolarHBondContact O-N 2.78Å; L419-R422 VanDerWaalsContact O-N 3.17Å; L419-A423 PolarHBondContact O-N 2.63Å; L419-A423 VanDerWaalsContact O-N 3.08Å |
| 420 | M | 81.3 | Confident | 83.5 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.015 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.2 | -36.7 | 179.4 | -74.3 | -173.2 | -87.3 | 0 | 0 | 112.9 | S416 I417 R422 A423 D424 V425 I430 R433 Y1120 | S416-M420 WeakPolarHBondContact O-CB 3.43Å; S416-M420 WeakPolarHBondContact O-CE 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.26Å; S416-M420 PolarHBondContact O-N 3.45Å; I417-M420 PolarHBondContact O-N 3.26Å; M420-R422 VanDerWaalsContact C-N 3.29Å; M420-R422 PolarHBondContact O-N 2.67Å; M420-A423 CarbonylContact O-C 3.51Å; M420-A423 PolarHBondContact O-N 3.39Å; M420-A423 VanDerWaalsContact O-N 3.11Å; M420-D424 PolarHBondContact O-N 3.28Å; M420-V425 HydrophobicContact CB-CB 4.25Å; M420-V425 HydrophobicContact CB-CG2 4.27Å; M420-V425 HydrophobicContact CG-CG2 4.45Å; M420-V425 PolarHBondContact O-N 3.23Å; M420-I430 HydrophobicContact CB-CD1 4.14Å; M420-I430 HydrophobicContact CB-CG1 3.96Å; M420-I430 HydrophobicContact SD-CG1 4.46Å; M420-R433 HydrophobicContact CE-CB 3.93Å; M420-R433 HydrophobicContact SD-CB 4.04Å; M420-Y1120 HydrophobicContact CE-CD2 4.27Å |
| 421 | I | 84 | Confident | 83.4 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 56% | 0.564 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.5 | -37.7 | 170.7 | -68.3 | 168.9 | 0 | 0 | 0 | 110.7 | I417 A423 D424 I430 | I417-I421 HydrophobicContact CG2-CD1 3.68Å; I417-I421 HydrophobicContact CG2-CG1 4.37Å; I417-I421 WeakPolarHBondContact O-CB 3.11Å; I417-I421 VanDerWaalsContact O-CG1 3.29Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.46Å; I421-A423 PolarHBondContact O-N 3.08Å; I421-D424 PolarHBondContact O-N 3.37Å; I421-I430 HydrophobicContact CG1-CD1 4.03Å |
| 422 | R | 83.8 | Confident | 83.2 | Confident | 194 Ų | 194 | 66.6 Ų | 66.6 | 73% | 0.732 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.4 | -14.4 | 174.4 | -112.2 | -171.8 | 179.7 | -99.5 | -0.1 | 114.6 | Y418 L419 M420 | Y418-R422 PolarHBondContact O-N 2.86Å; Y418-R422 VanDerWaalsContact O-N 3.11Å; Y418-R422 PolarHBondContact OH-NE 3.19Å; L419-R422 CarbonylContact O-C 3.5Å; L419-R422 WeakPolarHBondContact O-CB 3.31Å; L419-R422 PolarHBondContact O-N 2.78Å; L419-R422 VanDerWaalsContact O-N 3.17Å; M420-R422 VanDerWaalsContact C-N 3.29Å; M420-R422 PolarHBondContact O-N 2.67Å |
| 423 | A | 76.3 | Confident | 83 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L419 M420 I421 V425 | L419-A423 PolarHBondContact O-N 2.63Å; L419-A423 VanDerWaalsContact O-N 3.08Å; M420-A423 CarbonylContact O-C 3.51Å; M420-A423 PolarHBondContact O-N 3.39Å; M420-A423 VanDerWaalsContact O-N 3.11Å; I421-A423 PolarHBondContact O-N 3.08Å; A423-V425 HydrophobicContact CB-CG2 4.04Å; A423-V425 PolarHBondContact O-N 2.83Å |
| 424 | D | 80.5 | Confident | 82.8 | Confident | 160 Ų | 160 | 66.4 Ų | 66.4 | 86% | 0.856 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 33.6 | 177.4 | -134.1 | 9.3 | 0 | 0 | 0 | 114.3 | M420 I421 | M420-D424 PolarHBondContact O-N 3.28Å; I421-D424 PolarHBondContact O-N 3.37Å |
| 425 | V | 76.7 | Confident | 82.7 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | trans | -73.9 | 139.7 | -178.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | M420 A423 D429 I430 | M420-V425 HydrophobicContact CB-CB 4.25Å; M420-V425 HydrophobicContact CB-CG2 4.27Å; M420-V425 HydrophobicContact CG-CG2 4.45Å; M420-V425 PolarHBondContact O-N 3.23Å; A423-V425 HydrophobicContact CB-CG2 4.04Å; A423-V425 PolarHBondContact O-N 2.83Å; V425-D429 HydrophobicContact CG1-CB 3.89Å; V425-I430 HydrophobicContact CB-CD1 4.36Å; V425-I430 HydrophobicContact CB-CG1 4.1Å; V425-I430 HydrophobicContact CG1-CG1 4.01Å; V425-I430 VanDerWaalsContact O-CD1 3.28Å; V425-I430 WeakPolarHBondContact O-CD1 3.44Å | ||
| 426 | G | 82.7 | Confident | 82.6 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | trans | -58.3 | 137.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G428 D429 I430 | G426-G428 PolarHBondContact O-N 3.03Å; G426-G428 VanDerWaalsContact O-N 3.12Å; G426-D429 PolarHBondContact O-N 3.32Å; G426-I430 PolarHBondContact O-N 3.2Å; G426-I430 VanDerWaalsContact O-N 3.08Å | ||
| 427 | V | 85.3 | Confident | 82.7 | Confident | 108 Ų | 108 | 64.4 Ų | 64.4 | 66% | 0.655 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.3 | -34.5 | -172.4 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | I430 I431 | V427-I430 PolarHBondContact O-N 3.29Å; V427-I431 HydrophobicContact CG1-CD1 4.03Å; V427-I431 WeakPolarHBondContact O-CG1 3.45Å; V427-I431 PolarHBondContact O-N 3.49Å |
| 428 | G | 82.7 | Confident | 82.5 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | G426 I431 R432 | G426-G428 PolarHBondContact O-N 3.03Å; G426-G428 VanDerWaalsContact O-N 3.12Å; G428-I431 PolarHBondContact O-N 2.94Å; G428-R432 PolarHBondContact O-N 3.25Å |
| 429 | D | 78.5 | Confident | 82.5 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.9 | -37 | 177.5 | -69 | -3.5 | 0 | 0 | 0 | 111.3 | V425 G426 I431 R432 R433 Y1207 | V425-D429 HydrophobicContact CG1-CB 3.89Å; G426-D429 PolarHBondContact O-N 3.32Å; D429-I431 VanDerWaalsContact C-N 3.28Å; D429-I431 PolarHBondContact O-N 3.2Å; D429-R432 PolarHBondContact O-N 2.88Å; D429-R432 IonicContact OD1-CZ 2.7Å; D429-R432 IonicContact OD1-NE 2.85Å; D429-R432 IonicContact OD1-NH2 2.72Å; D429-R432 PolarHBondContact OD1-NH2 2.8Å; D429-R433 VanDerWaalsContact O-CB 3.31Å; D429-R433 WeakPolarHBondContact O-CB 3.47Å; D429-R433 WeakPolarHBondContact O-CG 3.38Å; D429-R433 PolarHBondContact O-N 3.4Å; D429-Y1207 WeakPolarHBondContact OD2-CE2 3.46Å; D429-Y1207 PolarHBondContact OD2-OH 2.86Å |
| 430 | I | 84.7 | Confident | 82.6 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 170.6 | -62.2 | -177.4 | 0 | 0 | 0 | 109.9 | I417 M420 I421 V425 G426 V427 A434 | I417-I430 HydrophobicContact CG1-CG2 4.26Å; I417-I430 HydrophobicContact CG2-CG2 4.44Å; M420-I430 HydrophobicContact CB-CD1 4.14Å; M420-I430 HydrophobicContact CB-CG1 3.96Å; M420-I430 HydrophobicContact SD-CG1 4.46Å; I421-I430 HydrophobicContact CG1-CD1 4.03Å; V425-I430 HydrophobicContact CB-CD1 4.36Å; V425-I430 HydrophobicContact CB-CG1 4.1Å; V425-I430 HydrophobicContact CG1-CG1 4.01Å; V425-I430 VanDerWaalsContact O-CD1 3.28Å; V425-I430 WeakPolarHBondContact O-CD1 3.44Å; G426-I430 PolarHBondContact O-N 3.2Å; G426-I430 VanDerWaalsContact O-N 3.08Å; V427-I430 PolarHBondContact O-N 3.29Å; I430-A434 WeakPolarHBondContact O-CB 3.26Å; I430-A434 PolarHBondContact O-N 2.82Å |
| 431 | I | 85.7 | Confident | 82.6 | Confident | 97 Ų | 97 | 55.6 Ų | 55.6 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 178.3 | -69 | 166.6 | 0 | 0 | 0 | 111.8 | V427 G428 D429 A434 L435 | V427-I431 HydrophobicContact CG1-CD1 4.03Å; V427-I431 WeakPolarHBondContact O-CG1 3.45Å; V427-I431 PolarHBondContact O-N 3.49Å; G428-I431 PolarHBondContact O-N 2.94Å; D429-I431 VanDerWaalsContact C-N 3.28Å; D429-I431 PolarHBondContact O-N 3.2Å; I431-A434 PolarHBondContact O-N 2.89Å; I431-L435 HydrophobicContact CG2-CD1 4.08Å; I431-L435 WeakPolarHBondContact O-CG 3.49Å; I431-L435 PolarHBondContact O-N 3.12Å; I431-L435 VanDerWaalsContact O-N 3.1Å |
| 432 | R | 83 | Confident | 82.4 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 33% | 0.328 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -52.1 | 177.5 | -74.8 | -168.5 | -73.1 | 169.5 | 0.7 | 111.7 | S220 D221 G428 D429 A434 L435 D436 | S220-R432 WeakPolarHBondContact O-CD 3.24Å; S220-R432 PolarHBondContact O-NH1 3.27Å; D221-R432 IonicContact OD1-CZ 3.6Å; D221-R432 IonicContact OD1-NE 2.71Å; D221-R432 IonicContact OD1-NH1 3.66Å; G428-R432 PolarHBondContact O-N 3.25Å; D429-R432 PolarHBondContact O-N 2.88Å; D429-R432 IonicContact OD1-CZ 2.7Å; D429-R432 IonicContact OD1-NE 2.85Å; D429-R432 IonicContact OD1-NH2 2.72Å; D429-R432 PolarHBondContact OD1-NH2 2.8Å; R432-A434 VanDerWaalsContact C-N 3.32Å; R432-A434 PolarHBondContact O-N 2.84Å; R432-L435 PolarHBondContact O-N 3.28Å; R432-L435 VanDerWaalsContact O-N 3.1Å; R432-D436 PolarHBondContact O-N 2.86Å |
| 433 | R | 79.1 | Confident | 82.1 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 179 | -68.2 | 175.7 | 179.3 | -177.2 | -1.4 | 113 | M420 D429 L435 L437 Y1120 Y1207 | M420-R433 HydrophobicContact CE-CB 3.93Å; M420-R433 HydrophobicContact SD-CB 4.04Å; D429-R433 VanDerWaalsContact O-CB 3.31Å; D429-R433 WeakPolarHBondContact O-CB 3.47Å; D429-R433 WeakPolarHBondContact O-CG 3.38Å; D429-R433 PolarHBondContact O-N 3.4Å; R433-L435 VanDerWaalsContact C-N 3.33Å; R433-L437 WeakPolarHBondContact O-CB 3.31Å; R433-L437 PolarHBondContact O-N 2.73Å; R433-Y1120 HydrophobicContact CB-CE1 4.39Å; R433-Y1120 HydrophobicContact CB-CE2 3.79Å; R433-Y1120 HydrophobicContact CG-CE1 4.14Å; R433-Y1120 HydrophobicContact CG-CE2 4.42Å; R433-Y1207 VanDerWaalsContact NH2-CD1 3.3Å |
| 434 | A | 83.7 | Confident | 82 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L413 I417 I430 I431 R432 | L413-A434 VanDerWaalsContact CD1-CA 3.45Å; L413-A434 HydrophobicContact CD1-CB 3.59Å; L413-A434 WeakPolarHBondContact CD1-O 3.31Å; I417-A434 HydrophobicContact CD1-CB 4.3Å; I417-A434 HydrophobicContact CG1-CB 4.46Å; I430-A434 WeakPolarHBondContact O-CB 3.26Å; I430-A434 PolarHBondContact O-N 2.82Å; I431-A434 PolarHBondContact O-N 2.89Å; R432-A434 VanDerWaalsContact C-N 3.32Å; R432-A434 PolarHBondContact O-N 2.84Å |
| 435 | L | 84.6 | Confident | 81.7 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -79.1 | -41.9 | 179.4 | -67.5 | 172 | 0 | 0 | 0 | 111.9 | L217 I431 R432 R433 L437 V438 T439 | L217-L435 HydrophobicContact CD1-CB 3.8Å; L217-L435 HydrophobicContact CD2-CB 3.92Å; L217-L435 HydrophobicContact CD2-CD1 3.91Å; I431-L435 HydrophobicContact CG2-CD1 4.08Å; I431-L435 WeakPolarHBondContact O-CG 3.49Å; I431-L435 PolarHBondContact O-N 3.12Å; I431-L435 VanDerWaalsContact O-N 3.1Å; R432-L435 PolarHBondContact O-N 3.28Å; R432-L435 VanDerWaalsContact O-N 3.1Å; R433-L435 VanDerWaalsContact C-N 3.33Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 3.06Å; L435-V438 WeakPolarHBondContact O-CB 3.41Å; L435-V438 PolarHBondContact O-N 3.04Å; L435-T439 PolarHBondContact O-N 3.38Å |
| 436 | D | 83.2 | Confident | 81.6 | Confident | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.4 | -47.7 | 174.8 | 179.6 | 43 | 0 | 0 | 0 | 111.6 | W218 R432 V438 T439 V440 Y1120 | W218-D436 PolarHBondContact NE1-OD1 3.33Å; R432-D436 PolarHBondContact O-N 2.86Å; D436-V438 PolarHBondContact O-N 2.78Å; D436-V438 VanDerWaalsContact O-N 3.07Å; D436-T439 WeakPolarHBondContact O-CA 3.49Å; D436-T439 WeakPolarHBondContact O-CB 3.39Å; D436-T439 PolarHBondContact O-N 2.96Å; D436-T439 PolarHBondContact O-OG1 2.64Å; D436-T439 PolarHBondContact OD1-OG1 2.65Å; D436-V440 PolarHBondContact O-N 3.05Å; D436-V440 VanDerWaalsContact O-N 3.09Å; D436-Y1120 PolarHBondContact OD2-OH 3.3Å |
| 437 | L | 85.2 | Confident | 80.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -26.4 | 178.5 | -171.3 | 67.8 | 0 | 0 | 0 | 113.7 | L413 R433 L435 F1113 V1116 I1117 Y1120 | L413-L437 HydrophobicContact CB-CD2 4.31Å; L413-L437 HydrophobicContact CD1-CD2 4.35Å; R433-L437 WeakPolarHBondContact O-CB 3.31Å; R433-L437 PolarHBondContact O-N 2.73Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L435-L437 PolarHBondContact O-N 3.06Å; L437-F1113 HydrophobicContact CD1-CD2 3.53Å; L437-F1113 HydrophobicContact CD1-CE2 3.75Å; L437-F1113 HydrophobicContact CD1-CG 4.45Å; L437-F1113 HydrophobicContact CD2-CE2 4.19Å; L437-F1113 HydrophobicContact CG-CD2 3.97Å; L437-F1113 HydrophobicContact CG-CE2 3.75Å; L437-V1116 HydrophobicContact CD1-CB 4.22Å; L437-V1116 HydrophobicContact CD1-CG1 3.88Å; L437-I1117 HydrophobicContact CD1-CD1 4.42Å; L437-I1117 HydrophobicContact CD1-CG1 3.89Å; L437-I1117 HydrophobicContact CD2-CG1 4.21Å; L437-Y1120 HydrophobicContact CB-CE2 4.37Å |
| 438 | V | 82.7 | Confident | 80.3 | Confident | 50 Ų | 50 | 28.6 Ų | 28.6 | 30% | 0.303 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -78.2 | -32.7 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | L413 L435 D436 | L413-V438 HydrophobicContact CD2-CG2 4.16Å; L435-V438 WeakPolarHBondContact O-CB 3.41Å; L435-V438 PolarHBondContact O-N 3.04Å; D436-V438 PolarHBondContact O-N 2.78Å; D436-V438 VanDerWaalsContact O-N 3.07Å |
| 439 | T | 86.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 175.7 | 74 | 0 | 0 | 0 | 0 | 111.9 | S214 L217 W218 L435 D436 V441 V442 | S214-T439 WeakPolarHBondContact OG-CG2 3.36Å; L217-T439 HydrophobicContact CD1-CG2 3.67Å; W218-T439 VanDerWaalsContact CZ2-OG1 3.32Å; W218-T439 WeakPolarHBondContact CZ2-OG1 3.43Å; W218-T439 PolarHBondContact NE1-OG1 3.44Å; W218-T439 VanDerWaalsContact NE1-OG1 3.12Å; L435-T439 PolarHBondContact O-N 3.38Å; D436-T439 WeakPolarHBondContact O-CA 3.49Å; D436-T439 WeakPolarHBondContact O-CB 3.39Å; D436-T439 PolarHBondContact O-N 2.96Å; D436-T439 PolarHBondContact O-OG1 2.64Å; D436-T439 PolarHBondContact OD1-OG1 2.65Å; T439-V441 PolarHBondContact O-N 2.99Å; T439-V442 PolarHBondContact O-N 3.26Å; T439-V442 VanDerWaalsContact O-N 3.08Å |
| 440 | V | 85.2 | Confident | 79.5 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 7% | 0.067 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.2 | -177.5 | 171.8 | 0 | 0 | 0 | 0 | 113 | D436 V442 S1109 Q1112 F1113 | D436-V440 PolarHBondContact O-N 3.05Å; D436-V440 VanDerWaalsContact O-N 3.09Å; V440-V442 VanDerWaalsContact C-N 3.35Å; V440-V442 PolarHBondContact O-N 2.94Å; V440-S1109 WeakPolarHBondContact O-CB 3.08Å; V440-Q1112 HydrophobicContact CG1-CB 4.12Å; V440-Q1112 HydrophobicContact CG1-CG 3.75Å; V440-F1113 HydrophobicContact CG1-CB 4.22Å |
| 441 | V | 81.4 | Confident | 79 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.3 | -178.3 | 168.9 | 0 | 0 | 0 | 0 | 113.4 | L405 A409 T439 P443 S1109 M1110 F1113 | L405-V441 HydrophobicContact CB-CG1 3.79Å; A409-V441 HydrophobicContact CB-CB 4.4Å; A409-V441 HydrophobicContact CB-CG1 4.34Å; A409-V441 HydrophobicContact CB-CG2 3.81Å; T439-V441 PolarHBondContact O-N 2.99Å; V441-P443 VanDerWaalsContact O-CD 3.3Å; V441-P443 WeakPolarHBondContact O-CD 3.36Å; V441-S1109 PolarHBondContact O-OG 3.46Å; V441-S1109 VanDerWaalsContact O-OG 3.04Å; V441-M1110 HydrophobicContact CB-CE 4.2Å; V441-M1110 HydrophobicContact CG1-CE 3.64Å; V441-M1110 HydrophobicContact CG2-CE 3.75Å; V441-F1113 HydrophobicContact CG2-CB 4.4Å; V441-F1113 HydrophobicContact CG2-CD2 3.35Å; V441-F1113 HydrophobicContact CG2-CE2 3.68Å; V441-F1113 HydrophobicContact CG2-CG 4.01Å |
| 442 | V | 78.9 | Confident | 78.6 | Confident | 31 Ų | 31 | 26.3 Ų | 26.3 | 19% | 0.188 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -103.8 | 102 | -175.5 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | F207 F210 T439 V440 P444 | F207-V442 HydrophobicContact CE2-CG1 4.12Å; F210-V442 HydrophobicContact CD1-CB 4.17Å; F210-V442 HydrophobicContact CD1-CG1 4.15Å; F210-V442 HydrophobicContact CD1-CG2 4.49Å; F210-V442 HydrophobicContact CE1-CB 3.59Å; F210-V442 HydrophobicContact CE1-CG1 4.09Å; F210-V442 HydrophobicContact CE1-CG2 3.81Å; F210-V442 HydrophobicContact CZ-CB 4.12Å; F210-V442 HydrophobicContact CZ-CG2 3.82Å; T439-V442 PolarHBondContact O-N 3.26Å; T439-V442 VanDerWaalsContact O-N 3.08Å; V440-V442 VanDerWaalsContact C-N 3.35Å; V440-V442 PolarHBondContact O-N 2.94Å; V442-P444 WeakPolarHBondContact O-CD 3.29Å |
| 443 | P | 78.1 | Confident | 78.4 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | trans | -66.7 | 120.5 | -171.7 | 20.9 | -30.6 | 0 | 0 | 0 | 113 | V441 A445 L446 M1105 Y1108 | V441-P443 VanDerWaalsContact O-CD 3.3Å; V441-P443 WeakPolarHBondContact O-CD 3.36Å; P443-A445 PolarHBondContact O-N 3.4Å; P443-A445 VanDerWaalsContact O-N 3.16Å; P443-L446 HydrophobicContact CG-CB 4.2Å; P443-L446 HydrophobicContact CG-CD1 4.39Å; P443-L446 WeakPolarHBondContact O-CB 3.26Å; P443-L446 PolarHBondContact O-N 3.34Å; P443-L446 VanDerWaalsContact O-N 3.15Å; P443-M1105 HydrophobicContact CB-CB 4.49Å; P443-M1105 HydrophobicContact CB-SD 4.36Å; P443-M1105 HydrophobicContact CG-CB 4.14Å; P443-Y1108 HydrophobicContact CB-CE1 3.46Å; P443-Y1108 VanDerWaalsContact CB-CE1 3.46Å; P443-Y1108 WeakPolarHBondContact CB-OH 3.18Å | ||
| 444 | P | 74.1 | Confident | 78.5 | Confident | 17 Ų | 17 | 22 Ų | 22 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.7 | -175.5 | 21.6 | -33.7 | 0 | 0 | 0 | 114.4 | F207 I230 V442 Y1108 D1135 | F207-P444 WeakPolarHBondContact CZ-O 3.44Å; I230-P444 HydrophobicContact CD1-CB 4.22Å; I230-P444 HydrophobicContact CD1-CG 3.97Å; I230-P444 HydrophobicContact CG2-CB 4.26Å; V442-P444 WeakPolarHBondContact O-CD 3.29Å; P444-Y1108 WeakPolarHBondContact CD-OH 3.26Å; P444-D1135 WeakPolarHBondContact CG-OD2 3.4Å |
| 445 | A | 74.8 | Confident | 78.5 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P443 V448 V449 M1105 | P443-A445 PolarHBondContact O-N 3.4Å; P443-A445 VanDerWaalsContact O-N 3.16Å; A445-V448 PolarHBondContact O-N 3.36Å; A445-V449 PolarHBondContact O-N 2.83Å; A445-V449 VanDerWaalsContact O-N 3.15Å; A445-M1105 HydrophobicContact CB-CE 3.76Å; A445-M1105 HydrophobicContact CB-SD 3.93Å |
| 446 | L | 73.2 | Confident | 78.6 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.3 | -49.7 | -168.7 | -172 | 71.8 | 0 | 0 | 0 | 115 | F207 P443 M450 F1102 M1105 | F207-L446 HydrophobicContact CE2-CB 4.26Å; P443-L446 HydrophobicContact CG-CB 4.2Å; P443-L446 HydrophobicContact CG-CD1 4.39Å; P443-L446 WeakPolarHBondContact O-CB 3.26Å; P443-L446 PolarHBondContact O-N 3.34Å; P443-L446 VanDerWaalsContact O-N 3.15Å; L446-M450 HydrophobicContact CD1-SD 4.39Å; L446-M450 HydrophobicContact CG-CE 4.17Å; L446-M450 WeakPolarHBondContact O-CG 3.42Å; L446-M450 PolarHBondContact O-N 2.91Å; L446-M450 VanDerWaalsContact O-N 3.17Å; L446-F1102 HydrophobicContact CD1-CD2 3.9Å; L446-F1102 HydrophobicContact CD1-CE2 4.22Å; L446-F1102 HydrophobicContact CD2-CE2 4.39Å; L446-M1105 HydrophobicContact CD1-CB 3.53Å; L446-M1105 HydrophobicContact CD1-CG 4Å |
| 447 | P | 69.4 | Low | 79 | Confident | 32 Ų | 32 | 20.1 Ų | 20.1 | 21% | 0.208 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.9 | -45.2 | -176.2 | -16.1 | 30.9 | 0 | 0 | 0 | 111 | F207 V449 M450 T451 | F207-P447 HydrophobicContact CD1-CG 3.54Å; F207-P447 HydrophobicContact CD2-CG 3.93Å; F207-P447 HydrophobicContact CE1-CG 3.51Å; F207-P447 HydrophobicContact CE2-CG 3.9Å; F207-P447 HydrophobicContact CG-CG 3.76Å; F207-P447 HydrophobicContact CZ-CG 3.68Å; P447-V449 VanDerWaalsContact C-N 3.35Å; P447-V449 PolarHBondContact O-N 3.45Å; P447-M450 PolarHBondContact O-N 3.41Å; P447-T451 WeakPolarHBondContact O-CB 3.4Å; P447-T451 PolarHBondContact O-N 3.2Å; P447-T451 PolarHBondContact O-OG1 3.09Å; P447-T451 VanDerWaalsContact O-OG1 3.12Å |
| 448 | V | 71.7 | Confident | 79.2 | Confident | 38 Ų | 38 | 22.1 Ų | 22.1 | 23% | 0.23 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.1 | -52.6 | -179.7 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | A445 T451 V452 L1144 | A445-V448 PolarHBondContact O-N 3.36Å; V448-T451 PolarHBondContact O-N 3.26Å; V448-V452 VanDerWaalsContact O-CG2 3.26Å; V448-V452 WeakPolarHBondContact O-CG2 3.36Å; V448-V452 PolarHBondContact O-N 2.82Å; V448-L1144 HydrophobicContact CG1-CD2 4.34Å |
| 449 | V | 74.3 | Confident | 79.5 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -75.9 | -27.8 | -173.9 | 167.7 | 0 | 0 | 0 | 0 | 112.7 | A445 P447 A1101 M1105 G1143 | A445-V449 PolarHBondContact O-N 2.83Å; A445-V449 VanDerWaalsContact O-N 3.15Å; P447-V449 VanDerWaalsContact C-N 3.35Å; P447-V449 PolarHBondContact O-N 3.45Å; V449-A1101 HydrophobicContact CG1-CB 3.88Å; V449-M1105 HydrophobicContact CB-CE 3.82Å; V449-M1105 HydrophobicContact CG1-CE 3.88Å; V449-M1105 HydrophobicContact CG2-CE 3.68Å; V449-G1143 WeakPolarHBondContact CG1-O 3.1Å |
| 450 | M | 70.6 | Confident | 79.8 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -40 | 169.3 | -70.5 | -163.4 | -51.9 | 0 | 0 | 112.3 | F394 L446 P447 F1102 | F394-M450 HydrophobicContact CE1-CE 4.29Å; F394-M450 HydrophobicContact CE1-SD 3.61Å; F394-M450 HydrophobicContact CZ-SD 3.72Å; L446-M450 HydrophobicContact CD1-SD 4.39Å; L446-M450 HydrophobicContact CG-CE 4.17Å; L446-M450 WeakPolarHBondContact O-CG 3.42Å; L446-M450 PolarHBondContact O-N 2.91Å; L446-M450 VanDerWaalsContact O-N 3.17Å; P447-M450 PolarHBondContact O-N 3.41Å; M450-F1102 HydrophobicContact SD-CD2 3.92Å |
| 451 | T | 72.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 28.2 Ų | 28.2 | 47% | 0.466 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69 | -39.9 | 178 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | P447 V448 G453 V454 V455 | P447-T451 WeakPolarHBondContact O-CB 3.4Å; P447-T451 PolarHBondContact O-N 3.2Å; P447-T451 PolarHBondContact O-OG1 3.09Å; P447-T451 VanDerWaalsContact O-OG1 3.12Å; V448-T451 PolarHBondContact O-N 3.26Å; T451-G453 VanDerWaalsContact C-N 3.28Å; T451-G453 PolarHBondContact O-N 2.99Å; T451-V454 WeakPolarHBondContact O-CA 3.42Å; T451-V454 WeakPolarHBondContact O-CB 3.37Å; T451-V454 PolarHBondContact O-N 3.45Å; T451-V455 HydrophobicContact CG2-CG2 3.88Å; T451-V455 PolarHBondContact O-N 3.31Å |
| 452 | V | 77.8 | Confident | 80.6 | Confident | 29 Ų | 29 | 33 Ų | 33 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.6 | -38.5 | 179.7 | 162.2 | 0 | 0 | 0 | 0 | 112.7 | V448 V454 V455 L456 L1144 | V448-V452 VanDerWaalsContact O-CG2 3.26Å; V448-V452 WeakPolarHBondContact O-CG2 3.36Å; V448-V452 PolarHBondContact O-N 2.82Å; V452-V454 VanDerWaalsContact C-N 3.26Å; V452-V454 PolarHBondContact O-N 2.9Å; V452-V455 PolarHBondContact O-N 2.99Å; V452-L456 HydrophobicContact CG1-CD1 3.63Å; V452-L456 HydrophobicContact CG1-CG 4.24Å; V452-L456 WeakPolarHBondContact O-CB 3.08Å; V452-L456 WeakPolarHBondContact O-CD1 3.47Å; V452-L456 WeakPolarHBondContact O-CG 3.44Å; V452-L456 PolarHBondContact O-N 3.26Å; V452-L1144 HydrophobicContact CG2-CD2 3.82Å |
| 453 | G | 78.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T451 A457 | T451-G453 VanDerWaalsContact C-N 3.28Å; T451-G453 PolarHBondContact O-N 2.99Å; G453-A457 PolarHBondContact O-N 3Å |
| 454 | V | 82.3 | Confident | 81.7 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -79.4 | -46.4 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 111 | T451 V452 L456 A457 Q458 S471 I474 N475 | T451-V454 WeakPolarHBondContact O-CA 3.42Å; T451-V454 WeakPolarHBondContact O-CB 3.37Å; T451-V454 PolarHBondContact O-N 3.45Å; V452-V454 VanDerWaalsContact C-N 3.26Å; V452-V454 PolarHBondContact O-N 2.9Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 3Å; V454-A457 CarbonylContact O-C 3.41Å; V454-A457 WeakPolarHBondContact O-CA 3.23Å; V454-A457 WeakPolarHBondContact O-CB 3.39Å; V454-A457 PolarHBondContact O-N 3.38Å; V454-Q458 PolarHBondContact O-N 2.96Å; V454-S471 WeakPolarHBondContact CG1-O 3.44Å; V454-I474 HydrophobicContact CG1-CB 4.45Å; V454-I474 HydrophobicContact CG1-CD1 4.09Å; V454-N475 WeakPolarHBondContact CG2-ND2 3.39Å |
| 455 | V | 83.5 | Confident | 82.4 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 17% | 0.17 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 178 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | T451 V452 Q458 R459 | T451-V455 HydrophobicContact CG2-CG2 3.88Å; T451-V455 PolarHBondContact O-N 3.31Å; V452-V455 PolarHBondContact O-N 2.99Å; V455-Q458 PolarHBondContact O-N 2.9Å; V455-R459 WeakPolarHBondContact O-CG 3.25Å; V455-R459 PolarHBondContact O-N 3.39Å |
| 456 | L | 87.6 | Confident | 83.2 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -35 | 175 | -68.6 | 170.4 | 0 | 0 | 0 | 112.4 | V452 V454 R460 G1147 Y1148 | V452-L456 HydrophobicContact CG1-CD1 3.63Å; V452-L456 HydrophobicContact CG1-CG 4.24Å; V452-L456 WeakPolarHBondContact O-CB 3.08Å; V452-L456 WeakPolarHBondContact O-CD1 3.47Å; V452-L456 WeakPolarHBondContact O-CG 3.44Å; V452-L456 PolarHBondContact O-N 3.26Å; V454-L456 VanDerWaalsContact C-N 3.29Å; V454-L456 PolarHBondContact O-N 3Å; L456-R460 WeakPolarHBondContact O-CG 3.48Å; L456-R460 PolarHBondContact O-N 3.4Å; L456-R460 VanDerWaalsContact O-N 3.14Å; L456-G1147 VanDerWaalsContact CD1-C 3.46Å; L456-G1147 WeakPolarHBondContact CD1-O 3.44Å; L456-Y1148 HydrophobicContact CD1-CD1 4.47Å; L456-Y1148 HydrophobicContact CD1-CD2 3.54Å; L456-Y1148 HydrophobicContact CD1-CE2 3.67Å; L456-Y1148 HydrophobicContact CD1-CG 3.97Å; L456-Y1148 HydrophobicContact CD2-CD1 4.2Å; L456-Y1148 HydrophobicContact CD2-CD2 4.46Å; L456-Y1148 HydrophobicContact CD2-CE1 3.82Å; L456-Y1148 HydrophobicContact CD2-CE2 4.1Å |
| 457 | A | 89.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.9 | -42.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G453 V454 R459 R460 L461 I474 A1094 | G453-A457 PolarHBondContact O-N 3Å; V454-A457 CarbonylContact O-C 3.41Å; V454-A457 WeakPolarHBondContact O-CA 3.23Å; V454-A457 WeakPolarHBondContact O-CB 3.39Å; V454-A457 PolarHBondContact O-N 3.38Å; A457-R459 VanDerWaalsContact C-N 3.34Å; A457-R459 PolarHBondContact O-N 3.32Å; A457-R460 CarbonylContact O-C 3.49Å; A457-R460 PolarHBondContact O-N 2.83Å; A457-R460 VanDerWaalsContact O-N 3.1Å; A457-L461 WeakPolarHBondContact O-CG 3.29Å; A457-L461 PolarHBondContact O-N 3.08Å; A457-I474 HydrophobicContact CB-CG2 3.95Å; A457-A1094 HydrophobicContact CB-CB 3.97Å |
| 458 | Q | 90 | Very high | 84.5 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.8 | -166.1 | 178.1 | 4.8 | 0 | 0 | 111.9 | V454 V455 R460 L461 L462 C468 I474 | V454-Q458 PolarHBondContact O-N 2.96Å; V455-Q458 PolarHBondContact O-N 2.9Å; Q458-R460 PolarHBondContact O-N 3.18Å; Q458-L461 PolarHBondContact O-N 2.79Å; Q458-L462 WeakPolarHBondContact O-CB 3.23Å; Q458-L462 PolarHBondContact O-N 2.67Å; Q458-C468 HydrophobicContact CG-CB 4.06Å; Q458-C468 PolarHBondContact NE2-O 2.95Å; Q458-I474 HydrophobicContact CB-CD1 3.8Å; Q458-I474 HydrophobicContact CG-CD1 4.25Å |
| 459 | R | 89.1 | Confident | 84.7 | Confident | 151 Ų | 151 | 45.1 Ų | 45.1 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.1 | -38.2 | 173.3 | -73 | -177.2 | -178.8 | -167 | 2.5 | 112.9 | V455 A457 S463 | V455-R459 WeakPolarHBondContact O-CG 3.25Å; V455-R459 PolarHBondContact O-N 3.39Å; A457-R459 VanDerWaalsContact C-N 3.34Å; A457-R459 PolarHBondContact O-N 3.32Å; R459-S463 PolarHBondContact O-N 3.07Å |
| 460 | R | 92.6 | Very high | 84.6 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | 174.9 | -71.5 | -171.1 | -55.8 | -91.3 | -5 | 112.7 | L456 A457 Q458 S463 H464 E1090 | L456-R460 WeakPolarHBondContact O-CG 3.48Å; L456-R460 PolarHBondContact O-N 3.4Å; L456-R460 VanDerWaalsContact O-N 3.14Å; A457-R460 CarbonylContact O-C 3.49Å; A457-R460 PolarHBondContact O-N 2.83Å; A457-R460 VanDerWaalsContact O-N 3.1Å; Q458-R460 PolarHBondContact O-N 3.18Å; R460-S463 PolarHBondContact O-OG 2.69Å; R460-H464 PolarHBondContact O-N 3.09Å; R460-H464 PolarHBondContact O-ND1 3.42Å; R460-E1090 IonicContact CZ-OE2 3.66Å; R460-E1090 VanDerWaalsContact NE-CD 3.28Å; R460-E1090 IonicContact NE-OE1 3.07Å; R460-E1090 PolarHBondContact NE-OE1 3.43Å; R460-E1090 IonicContact NE-OE2 2.63Å; R460-E1090 PolarHBondContact NE-OE2 3.41Å; R460-E1090 IonicContact NH2-OE2 2.73Å; R460-E1090 PolarHBondContact NH2-OE2 3Å |
| 461 | L | 93.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 173.2 | -71.9 | 169.9 | 0 | 0 | 0 | 110.9 | A457 Q458 S463 H464 G465 I466 I474 F1074 L1087 E1090 | A457-L461 WeakPolarHBondContact O-CG 3.29Å; A457-L461 PolarHBondContact O-N 3.08Å; Q458-L461 PolarHBondContact O-N 2.79Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 2.8Å; L461-H464 CarbonylContact O-C 3.55Å; L461-H464 WeakPolarHBondContact O-CA 3.32Å; L461-H464 PolarHBondContact O-N 3.46Å; L461-G465 PolarHBondContact O-N 2.83Å; L461-I466 CarbonylContact C-O 3.56Å; L461-I466 HydrophobicContact CB-CB 4.2Å; L461-I466 HydrophobicContact CB-CG2 4.49Å; L461-I466 HydrophobicContact CD2-CB 4.45Å; L461-I466 HydrophobicContact CD2-CD1 4.02Å; L461-I466 HydrophobicContact CD2-CG2 4.48Å; L461-I466 PolarHBondContact O-N 3.02Å; L461-I474 HydrophobicContact CD1-CD1 4Å; L461-I474 HydrophobicContact CD1-CG1 4.05Å; L461-I474 HydrophobicContact CD1-CG2 4.42Å; L461-F1074 HydrophobicContact CD1-CE1 4.33Å; L461-L1087 HydrophobicContact CD1-CD1 3.7Å; L461-L1087 HydrophobicContact CD2-CD1 3.84Å; L461-L1087 HydrophobicContact CG-CD1 4.46Å; L461-E1090 HydrophobicContact CD2-CB 4.02Å; L461-E1090 HydrophobicContact CD2-CG 4.22Å; L461-E1090 HydrophobicContact CG-CB 4.36Å |
| 462 | L | 90.9 | Very high | 84.9 | Confident | 103 Ų | 103 | 47.8 Ų | 47.8 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | 177.1 | -172.4 | 65.3 | 0 | 0 | 0 | 112.3 | Q458 H464 G465 I466 F467 | Q458-L462 WeakPolarHBondContact O-CB 3.23Å; Q458-L462 PolarHBondContact O-N 2.67Å; L462-H464 PolarHBondContact O-N 2.94Å; L462-G465 PolarHBondContact O-N 2.94Å; L462-I466 WeakPolarHBondContact CA-O 3.45Å; L462-I466 PolarHBondContact N-O 3.38Å; L462-F467 HydrophobicContact CD1-CD2 3.99Å |
| 463 | S | 90.3 | Very high | 85.2 | Confident | 96 Ų | 96 | 46.5 Ų | 46.5 | 67% | 0.671 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 114.6 | R459 R460 L461 | R459-S463 PolarHBondContact O-N 3.07Å; R460-S463 PolarHBondContact O-OG 2.69Å; L461-S463 VanDerWaalsContact C-N 3.3Å; L461-S463 PolarHBondContact O-N 2.8Å |
| 464 | H | 90 | Very high | 85.7 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 10.7 | 168 | -66.7 | 85 | 0 | 0 | 0 | 112.2 | R460 L461 L462 I466 T1086 | R460-H464 PolarHBondContact O-N 3.09Å; R460-H464 PolarHBondContact O-ND1 3.42Å; L461-H464 CarbonylContact O-C 3.55Å; L461-H464 WeakPolarHBondContact O-CA 3.32Å; L461-H464 PolarHBondContact O-N 3.46Å; L462-H464 PolarHBondContact O-N 2.94Å; H464-I466 VanDerWaalsContact C-N 3.31Å; H464-I466 PolarHBondContact O-N 3.31Å; H464-T1086 HydrophobicContact CB-CG2 4.48Å |
| 465 | G | 88.6 | Confident | 86 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 25% | 0.247 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 19.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L461 L462 K1077 | L461-G465 PolarHBondContact O-N 2.83Å; L462-G465 PolarHBondContact O-N 2.94Å; G465-K1077 PolarHBondContact O-N 2.75Å |
| 466 | I | 91.2 | Very high | 86.1 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 104.4 | 174.4 | -54.8 | 171.2 | 0 | 0 | 0 | 108 | L461 L462 H464 F1074 I1075 C1083 T1086 | L461-I466 CarbonylContact C-O 3.56Å; L461-I466 HydrophobicContact CB-CB 4.2Å; L461-I466 HydrophobicContact CB-CG2 4.49Å; L461-I466 HydrophobicContact CD2-CB 4.45Å; L461-I466 HydrophobicContact CD2-CD1 4.02Å; L461-I466 HydrophobicContact CD2-CG2 4.48Å; L461-I466 PolarHBondContact O-N 3.02Å; L462-I466 WeakPolarHBondContact CA-O 3.45Å; L462-I466 PolarHBondContact N-O 3.38Å; H464-I466 VanDerWaalsContact C-N 3.31Å; H464-I466 PolarHBondContact O-N 3.31Å; I466-F1074 HydrophobicContact CG2-CB 4.41Å; I466-F1074 HydrophobicContact CG2-CD1 4.35Å; I466-I1075 CarbonylContact C-O 3.59Å; I466-C1083 HydrophobicContact CD1-CB 3.83Å; I466-C1083 HydrophobicContact CG1-CB 4.08Å; I466-T1086 HydrophobicContact CD1-CG2 4.19Å |
| 467 | F | 86.7 | Confident | 86.3 | Confident | 116 Ų | 116 | 44.5 Ų | 44.5 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 150 | 169.8 | -167.7 | -101.8 | 0 | 0 | 0 | 110.3 | L462 V469 F1074 I1075 | L462-F467 HydrophobicContact CD1-CD2 3.99Å; F467-V469 HydrophobicContact CD1-CG2 4.18Å; F467-V469 HydrophobicContact CE1-CG2 4.08Å; F467-F1074 WeakPolarHBondContact O-CA 3.43Å; F467-I1075 HydrophobicContact CB-CB 4.49Å; F467-I1075 PolarHBondContact N-O 2.85Å; F467-I1075 PolarHBondContact O-N 3.17Å |
| 468 | C | 83 | Confident | 86.2 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 113.6 | -176.7 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | Q458 N470 P1073 F1074 | Q458-C468 HydrophobicContact CG-CB 4.06Å; Q458-C468 PolarHBondContact NE2-O 2.95Å; C468-N470 VanDerWaalsContact SG-C 3.55Å; C468-N470 PolarHBondContact SG-O 3.15Å; C468-P1073 WeakPolarHBondContact CA-O 3.16Å; C468-F1074 HydrophobicContact CB-CD1 3.76Å; C468-F1074 HydrophobicContact CB-CE1 3.78Å; C468-F1074 WeakPolarHBondContact SG-CE1 3.29Å |
| 469 | V | 75.5 | Confident | 86.2 | Confident | 64 Ų | 64 | 42.9 Ų | 42.9 | 39% | 0.388 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -78.2 | -42.4 | 179.7 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | F467 P1073 | F467-V469 HydrophobicContact CD1-CG2 4.18Å; F467-V469 HydrophobicContact CE1-CG2 4.08Å; V469-P1073 PolarHBondContact N-O 3.19Å |
| 470 | N | 72.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | trans | -119.3 | 100.2 | -179 | -175.7 | -11.1 | 0 | 0 | 0 | 111.4 | C468 T472 V473 P1073 | C468-N470 VanDerWaalsContact SG-C 3.55Å; C468-N470 PolarHBondContact SG-O 3.15Å; N470-T472 PolarHBondContact O-N 2.82Å; N470-T472 WeakPolarHBondContact OD1-CB 3.43Å; N470-T472 PolarHBondContact OD1-N 2.91Å; N470-T472 VanDerWaalsContact OD1-N 3.14Å; N470-T472 PolarHBondContact OD1-OG1 2.91Å; N470-V473 HydrophobicContact CB-CG2 3.87Å; N470-V473 WeakPolarHBondContact O-CB 3.38Å; N470-V473 WeakPolarHBondContact O-CG2 3.2Å; N470-V473 PolarHBondContact O-N 3.47Å; N470-P1073 HydrophobicContact CB-CB 4.41Å | ||
| 471 | S | 77.8 | Confident | 86.3 | Confident | 39 Ų | 39 | 34.9 Ų | 34.9 | 27% | 0.273 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26 | -176.9 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | V454 V473 I474 | V454-S471 WeakPolarHBondContact CG1-O 3.44Å; S471-V473 PolarHBondContact O-N 2.96Å; S471-I474 WeakPolarHBondContact O-CB 3.36Å; S471-I474 WeakPolarHBondContact O-CG1 3.41Å; S471-I474 PolarHBondContact O-N 3.12Å |
| 472 | T | 72.3 | Confident | 86.4 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28 | 178.8 | 69.5 | 0 | 0 | 0 | 0 | 112.6 | N470 I474 | N470-T472 PolarHBondContact O-N 2.82Å; N470-T472 WeakPolarHBondContact OD1-CB 3.43Å; N470-T472 PolarHBondContact OD1-N 2.91Å; N470-T472 VanDerWaalsContact OD1-N 3.14Å; N470-T472 PolarHBondContact OD1-OG1 2.91Å; T472-I474 VanDerWaalsContact C-N 3.29Å; T472-I474 PolarHBondContact O-N 2.83Å |
| 473 | V | 84.2 | Confident | 86.7 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.7 | -25.8 | -178.5 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | L390 N470 S471 N475 V476 C477 H1058 A1059 P1073 F1074 | L390-V473 HydrophobicContact CD1-CG2 3.8Å; N470-V473 HydrophobicContact CB-CG2 3.87Å; N470-V473 WeakPolarHBondContact O-CB 3.38Å; N470-V473 WeakPolarHBondContact O-CG2 3.2Å; N470-V473 PolarHBondContact O-N 3.47Å; S471-V473 PolarHBondContact O-N 2.96Å; V473-N475 PolarHBondContact O-N 3.36Å; V473-N475 VanDerWaalsContact O-N 3.13Å; V473-V476 WeakPolarHBondContact O-CA 3.25Å; V473-V476 WeakPolarHBondContact O-CB 3.2Å; V473-V476 PolarHBondContact O-N 3.15Å; V473-C477 PolarHBondContact O-N 2.72Å; V473-C477 PolarHBondContact O-SG 3.22Å; V473-C477 VanDerWaalsContact O-SG 3.34Å; V473-H1058 WeakPolarHBondContact CG1-O 3.3Å; V473-A1059 HydrophobicContact CG1-CB 4.2Å; V473-P1073 HydrophobicContact CB-CB 4.41Å; V473-P1073 HydrophobicContact CG1-CB 4.46Å; V473-P1073 HydrophobicContact CG1-CG 4.41Å; V473-P1073 HydrophobicContact CG2-CB 3.98Å; V473-F1074 HydrophobicContact CB-CE2 3.94Å; V473-F1074 HydrophobicContact CB-CZ 3.95Å; V473-F1074 HydrophobicContact CG1-CE2 3.65Å; V473-F1074 HydrophobicContact CG1-CZ 4.13Å |
| 474 | I | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.4 | -38.2 | -179.4 | -61.9 | 171.3 | 0 | 0 | 0 | 111.4 | V454 A457 Q458 L461 S471 T472 C477 F1074 G1091 A1094 | V454-I474 HydrophobicContact CG1-CB 4.45Å; V454-I474 HydrophobicContact CG1-CD1 4.09Å; A457-I474 HydrophobicContact CB-CG2 3.95Å; Q458-I474 HydrophobicContact CB-CD1 3.8Å; Q458-I474 HydrophobicContact CG-CD1 4.25Å; L461-I474 HydrophobicContact CD1-CD1 4Å; L461-I474 HydrophobicContact CD1-CG1 4.05Å; L461-I474 HydrophobicContact CD1-CG2 4.42Å; S471-I474 WeakPolarHBondContact O-CB 3.36Å; S471-I474 WeakPolarHBondContact O-CG1 3.41Å; S471-I474 PolarHBondContact O-N 3.12Å; T472-I474 VanDerWaalsContact C-N 3.29Å; T472-I474 PolarHBondContact O-N 2.83Å; I474-C477 WeakPolarHBondContact O-CB 3.14Å; I474-C477 PolarHBondContact O-N 2.92Å; I474-F1074 HydrophobicContact CG1-CE1 3.84Å; I474-F1074 HydrophobicContact CG1-CZ 3.95Å; I474-G1091 WeakPolarHBondContact O-CA 3.35Å; I474-A1094 HydrophobicContact CG2-CB 3.9Å |
| 475 | N | 87.2 | Confident | 87.2 | Confident | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.9 | -29.5 | 177.5 | -82.1 | -23.5 | 0 | 0 | 0 | 113.2 | F392 V454 V473 G478 A1094 L1095 | F392-N475 HydrophobicContact CE1-CB 4.13Å; F392-N475 HydrophobicContact CE2-CB 4.23Å; F392-N475 HydrophobicContact CZ-CB 3.62Å; V454-N475 WeakPolarHBondContact CG2-ND2 3.39Å; V473-N475 PolarHBondContact O-N 3.36Å; V473-N475 VanDerWaalsContact O-N 3.13Å; N475-G478 PolarHBondContact O-N 3.05Å; N475-A1094 WeakPolarHBondContact OD1-CB 3.42Å; N475-L1095 HydrophobicContact CB-CD1 3.93Å; N475-L1095 PolarHBondContact OD1-N 3.04Å |
| 476 | V | 86.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | F392 V473 G478 V479 F1040 H1058 | F392-V476 HydrophobicContact CD2-CG2 3.9Å; F392-V476 HydrophobicContact CE2-CG2 4.34Å; F392-V476 HydrophobicContact CG-CG2 4.47Å; V473-V476 WeakPolarHBondContact O-CA 3.25Å; V473-V476 WeakPolarHBondContact O-CB 3.2Å; V473-V476 PolarHBondContact O-N 3.15Å; V476-G478 PolarHBondContact O-N 3.24Å; V476-V479 WeakPolarHBondContact O-CG2 3.37Å; V476-V479 PolarHBondContact O-N 3.17Å; V476-V479 VanDerWaalsContact O-N 3.08Å; V476-F1040 HydrophobicContact CG1-CD1 4.21Å; V476-H1058 HydrophobicContact CG1-CB 4Å |
| 477 | C | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.1 | -24.1 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | V473 I474 V479 I480 F1074 L1087 | V473-C477 PolarHBondContact O-N 2.72Å; V473-C477 PolarHBondContact O-SG 3.22Å; V473-C477 VanDerWaalsContact O-SG 3.34Å; I474-C477 WeakPolarHBondContact O-CB 3.14Å; I474-C477 PolarHBondContact O-N 2.92Å; C477-V479 VanDerWaalsContact C-N 3.28Å; C477-V479 PolarHBondContact O-N 3.04Å; C477-I480 HydrophobicContact CB-CD1 4.32Å; C477-F1074 VanDerWaalsContact SG-CE2 3.5Å; C477-L1087 HydrophobicContact CB-CD1 4.46Å; C477-L1087 HydrophobicContact CB-CG 4.09Å |
| 478 | G | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N475 V476 G1091 R1092 | N475-G478 PolarHBondContact O-N 3.05Å; V476-G478 PolarHBondContact O-N 3.24Å; G478-G1091 VanDerWaalsContact CA-C 3.41Å; G478-R1092 WeakPolarHBondContact O-CG 3.26Å; G478-R1092 PolarHBondContact O-NE 3.48Å |
| 479 | V | 89.4 | Confident | 86.8 | Confident | 10 Ų | 10 | 17.1 Ų | 17.1 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 10.3 | -172.1 | -60.4 | 0 | 0 | 0 | 0 | 114.9 | V476 C477 N481 F1040 L1095 P1160 M1162 | V476-V479 WeakPolarHBondContact O-CG2 3.37Å; V476-V479 PolarHBondContact O-N 3.17Å; V476-V479 VanDerWaalsContact O-N 3.08Å; C477-V479 VanDerWaalsContact C-N 3.28Å; C477-V479 PolarHBondContact O-N 3.04Å; V479-N481 PolarHBondContact O-N 3.48Å; V479-F1040 HydrophobicContact CG2-CB 4.44Å; V479-F1040 HydrophobicContact CG2-CD1 4.1Å; V479-F1040 HydrophobicContact CG2-CD2 4.3Å; V479-F1040 HydrophobicContact CG2-CG 3.98Å; V479-L1095 HydrophobicContact CG1-CD2 3.88Å; V479-P1160 HydrophobicContact CG1-CG 4.46Å; V479-P1160 VanDerWaalsContact CG1-O 3.29Å; V479-P1160 WeakPolarHBondContact CG1-O 3.13Å; V479-M1162 HydrophobicContact CB-CG 4.05Å; V479-M1162 HydrophobicContact CG1-CG 3.48Å; V479-M1162 VanDerWaalsContact CG1-CG 3.48Å; V479-M1162 HydrophobicContact CG1-SD 4.44Å; V479-M1162 HydrophobicContact CG2-CE 4.03Å; V479-M1162 HydrophobicContact CG2-CG 3.69Å; V479-M1162 HydrophobicContact CG2-SD 3.69Å |
| 480 | I | 92 | Very high | 87.4 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -57.1 | 131.5 | 174.8 | -66.1 | -177.9 | 0 | 0 | 0 | 110.1 | C477 V482 F1040 A1059 I1088 | C477-I480 HydrophobicContact CB-CD1 4.32Å; I480-V482 VanDerWaalsContact CG2-O 3.29Å; I480-V482 WeakPolarHBondContact CG2-O 3.44Å; I480-F1040 WeakPolarHBondContact CA-O 3.13Å; I480-A1059 HydrophobicContact CD1-CB 3.69Å; I480-I1088 HydrophobicContact CB-CD1 4.29Å; I480-I1088 HydrophobicContact CB-CG1 4.43Å; I480-I1088 HydrophobicContact CG2-CD1 4.06Å | ||
| 481 | N | 92.2 | Very high | 88.2 | Confident | 22 Ų | 22 | 11.3 Ų | 11.3 | 12% | 0.118 | 7% | 0.07 | C | C | . | . | trans | -131.6 | -5.3 | -178.5 | 65.7 | -20.5 | 0 | 0 | 0 | 113.6 | V479 R722 F1040 Y1332 | V479-N481 PolarHBondContact O-N 3.48Å; N481-R722 PolarHBondContact O-N 3.01Å; N481-F1040 PolarHBondContact N-O 2.88Å; N481-F1040 PolarHBondContact OD1-N 2.9Å; N481-F1040 PolarHBondContact OD1-O 2.79Å; N481-Y1332 WeakPolarHBondContact ND2-CE1 3.49Å; N481-Y1332 VanDerWaalsContact ND2-CZ 3.33Å; N481-Y1332 PolarHBondContact ND2-OH 2.91Å; N481-Y1332 VanDerWaalsContact ND2-OH 3.11Å | ||
| 482 | V | 95.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135 | 163.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | I480 R722 V724 L1034 Y1039 F1040 V1041 S1042 | I480-V482 VanDerWaalsContact CG2-O 3.29Å; I480-V482 WeakPolarHBondContact CG2-O 3.44Å; V482-R722 CarbonylContact C-O 3.55Å; V482-R722 WeakPolarHBondContact CA-O 3.47Å; V482-R722 HydrophobicContact CG2-CB 4.24Å; V482-V724 HydrophobicContact CG1-CG2 3.86Å; V482-L1034 HydrophobicContact CG1-CD1 4.26Å; V482-L1034 HydrophobicContact CG1-CD2 4.22Å; V482-L1034 HydrophobicContact CG2-CD2 4.38Å; V482-Y1039 HydrophobicContact CG2-CD1 3.3Å; V482-Y1039 HydrophobicContact CG2-CD2 4.04Å; V482-Y1039 HydrophobicContact CG2-CE1 3.69Å; V482-Y1039 HydrophobicContact CG2-CE2 4.37Å; V482-Y1039 HydrophobicContact CG2-CG 3.49Å; V482-Y1039 VanDerWaalsContact CG2-CG 3.49Å; V482-F1040 PolarHBondContact N-O 3.15Å; V482-F1040 VanDerWaalsContact N-O 3.16Å; V482-V1041 HydrophobicContact CG1-CG1 4.42Å; V482-V1041 WeakPolarHBondContact O-CA 3.45Å; V482-S1042 PolarHBondContact O-N 3.08Å |
| 483 | A | 96.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 114.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F485 L716 I721 R722 P723 V724 S1042 | A483-F485 HydrophobicContact CB-CE2 3.66Å; A483-F485 HydrophobicContact CB-CZ 3.95Å; A483-F485 WeakPolarHBondContact O-CD2 3.48Å; A483-F485 WeakPolarHBondContact O-CE2 3.3Å; A483-L716 HydrophobicContact CB-CD1 4.37Å; A483-I721 HydrophobicContact CB-CG2 4.32Å; A483-R722 PolarHBondContact N-O 3.46Å; A483-P723 CarbonylContact O-C 3.58Å; A483-P723 WeakPolarHBondContact O-CA 3.44Å; A483-V724 PolarHBondContact O-N 2.95Å; A483-S1042 WeakPolarHBondContact CA-OG 3.2Å; A483-S1042 WeakPolarHBondContact CB-OG 3.49Å |
| 484 | C | 96.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144.3 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | V724 V726 I1031 L1034 S1042 M1043 C1044 | C484-V724 CarbonylContact C-O 3.55Å; C484-V724 WeakPolarHBondContact CA-O 3.17Å; C484-V726 HydrophobicContact CB-CG2 4.14Å; C484-I1031 HydrophobicContact CB-CD1 3.91Å; C484-L1034 VanDerWaalsContact SG-CD1 3.56Å; C484-S1042 PolarHBondContact N-O 3.04Å; C484-M1043 HydrophobicContact CB-SD 3.5Å; C484-M1043 VanDerWaalsContact CB-SD 3.5Å; C484-M1043 CarbonylContact O-C 3.59Å; C484-M1043 WeakPolarHBondContact O-CA 3.5Å; C484-C1044 PolarHBondContact O-N 2.8Å |
| 485 | F | 95.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.1 | -178.9 | -60 | -90.5 | 0 | 0 | 0 | 110.1 | A483 T490 L491 I713 L716 P723 V724 M725 V726 C1044 I1081 V1084 | A483-F485 HydrophobicContact CB-CE2 3.66Å; A483-F485 HydrophobicContact CB-CZ 3.95Å; A483-F485 WeakPolarHBondContact O-CD2 3.48Å; A483-F485 WeakPolarHBondContact O-CE2 3.3Å; F485-T490 HydrophobicContact CB-CG2 4.15Å; F485-T490 HydrophobicContact CD1-CG2 4.02Å; F485-L491 HydrophobicContact CB-CD1 3.93Å; F485-L491 HydrophobicContact CB-CD2 4.15Å; F485-L491 HydrophobicContact CB-CG 4.02Å; F485-L491 HydrophobicContact CD1-CD2 4.19Å; F485-L491 HydrophobicContact CG-CD2 4.15Å; F485-I713 HydrophobicContact CD2-CD1 4.42Å; F485-I713 HydrophobicContact CE2-CD1 4.03Å; F485-I713 HydrophobicContact CZ-CD1 4.37Å; F485-L716 HydrophobicContact CE2-CD1 4.11Å; F485-L716 HydrophobicContact CZ-CD1 3.71Å; F485-P723 HydrophobicContact CE2-CB 4.44Å; F485-V724 PolarHBondContact N-O 3.05Å; F485-M725 WeakPolarHBondContact O-CA 3.33Å; F485-V726 PolarHBondContact O-N 3.19Å; F485-C1044 WeakPolarHBondContact CA-O 3.41Å; F485-C1044 HydrophobicContact CD1-CB 3.64Å; F485-C1044 HydrophobicContact CE1-CB 3.9Å; F485-I1081 HydrophobicContact CD1-CB 4.42Å; F485-I1081 HydrophobicContact CD1-CD1 4.48Å; F485-I1081 HydrophobicContact CD1-CG2 3.75Å; F485-I1081 HydrophobicContact CE1-CB 3.91Å; F485-I1081 HydrophobicContact CE1-CD1 3.98Å; F485-I1081 HydrophobicContact CE1-CG2 3.73Å; F485-I1081 HydrophobicContact CZ-CD1 4.41Å; F485-V1084 HydrophobicContact CE1-CG2 3.94Å; F485-V1084 HydrophobicContact CZ-CG1 4.41Å; F485-V1084 HydrophobicContact CZ-CG2 4.43Å |
| 486 | D | 91.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.032 | 9% | 0.085 | C | C | . | . | trans | -73.1 | 159.2 | 156.7 | -159.1 | -5.3 | 0 | 0 | 0 | 110.1 | T490 L491 T727 K1027 C1044 N1049 D1050 | D486-T490 WeakPolarHBondContact O-CB 3.45Å; D486-T490 WeakPolarHBondContact O-CG2 3.44Å; D486-L491 VanDerWaalsContact O-CG 3.32Å; D486-L491 WeakPolarHBondContact O-CG 3.41Å; D486-T727 VanDerWaalsContact OD1-CA 3.26Å; D486-T727 WeakPolarHBondContact OD1-CA 3.36Å; D486-T727 WeakPolarHBondContact OD1-CB 3.16Å; D486-T727 PolarHBondContact OD1-OG1 3.4Å; D486-K1027 IonicContact OD1-NZ 3.26Å; D486-K1027 IonicContact OD2-NZ 3.48Å; D486-K1027 PolarHBondContact OD2-NZ 3.42Å; D486-C1044 PolarHBondContact N-O 3.3Å; D486-N1049 PolarHBondContact OD2-ND2 2.86Å; D486-D1050 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 487 | K | 88.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -81.4 | -56.8 | 177.6 | -171.6 | -115.9 | 61.4 | -175.5 | 0 | 111.1 | L491 T492 N703 M725 T727 D729 V737 | K487-L491 PolarHBondContact O-N 2.9Å; K487-L491 VanDerWaalsContact O-N 3.08Å; K487-T492 HydrophobicContact CD-CG2 4.04Å; K487-T492 HydrophobicContact CG-CG2 4.13Å; K487-T492 PolarHBondContact O-N 3.25Å; K487-T492 PolarHBondContact O-OG1 3.4Å; K487-N703 PolarHBondContact NZ-OD1 3.31Å; K487-M725 HydrophobicContact CB-CG 4.27Å; K487-M725 HydrophobicContact CB-SD 3.91Å; K487-M725 HydrophobicContact CG-CE 4.24Å; K487-M725 HydrophobicContact CG-SD 4.02Å; K487-T727 HydrophobicContact CB-CG2 4.11Å; K487-D729 IonicContact NZ-OD2 2.91Å; K487-D729 PolarHBondContact NZ-OD2 2.87Å; K487-V737 HydrophobicContact CD-CG1 4.48Å; K487-V737 HydrophobicContact CD-CG2 4.27Å; K487-V737 HydrophobicContact CG-CB 4.23Å; K487-V737 HydrophobicContact CG-CG1 3.85Å; K487-V737 HydrophobicContact CG-CG2 4.48Å |
| 488 | T | 80.3 | Confident | 85.7 | Confident | 55 Ų | 55 | 19.5 Ų | 19.5 | 34% | 0.337 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 137.9 | -173.7 | -51.1 | 0 | 0 | 0 | 0 | 109 | T490 T492 | T488-T490 PolarHBondContact O-N 3.37Å; T488-T492 WeakPolarHBondContact CA-OG1 3.37Å |
| 489 | G | 79.7 | Confident | 85.6 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | -26.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T492 K706 D1046 | G489-T492 CarbonylContact C-O 3.47Å; G489-T492 PolarHBondContact N-O 2.98Å; G489-K706 PolarHBondContact O-NZ 3.3Å; G489-D1046 WeakPolarHBondContact CA-OD1 3.4Å; G489-D1046 WeakPolarHBondContact CA-OD2 3.32Å |
| 490 | T | 87.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -53.2 | 179 | -75.7 | 0 | 0 | 0 | 0 | 112.9 | F485 D486 T488 C1044 G1045 D1046 L1063 I1081 | F485-T490 HydrophobicContact CB-CG2 4.15Å; F485-T490 HydrophobicContact CD1-CG2 4.02Å; D486-T490 WeakPolarHBondContact O-CB 3.45Å; D486-T490 WeakPolarHBondContact O-CG2 3.44Å; T488-T490 PolarHBondContact O-N 3.37Å; T490-C1044 HydrophobicContact CG2-CB 4.43Å; T490-G1045 VanDerWaalsContact OG1-CA 3.27Å; T490-G1045 WeakPolarHBondContact OG1-CA 3.34Å; T490-D1046 WeakPolarHBondContact CB-OD1 3.29Å; T490-D1046 PolarHBondContact N-OD1 2.67Å; T490-D1046 PolarHBondContact OG1-N 3.36Å; T490-D1046 PolarHBondContact OG1-OD1 3.47Å; T490-L1063 HydrophobicContact CG2-CD1 4.18Å; T490-I1081 HydrophobicContact CG2-CG2 3.78Å; T490-I1081 WeakPolarHBondContact O-CG2 3.42Å |
| 491 | L | 90.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -39 | 178 | -65.9 | 171.5 | 0 | 0 | 0 | 112.1 | F485 D486 K487 L705 K706 T709 I713 M725 M743 I1081 | F485-L491 HydrophobicContact CB-CD1 3.93Å; F485-L491 HydrophobicContact CB-CD2 4.15Å; F485-L491 HydrophobicContact CB-CG 4.02Å; F485-L491 HydrophobicContact CD1-CD2 4.19Å; F485-L491 HydrophobicContact CG-CD2 4.15Å; D486-L491 VanDerWaalsContact O-CG 3.32Å; D486-L491 WeakPolarHBondContact O-CG 3.41Å; K487-L491 PolarHBondContact O-N 2.9Å; K487-L491 VanDerWaalsContact O-N 3.08Å; L491-L705 WeakPolarHBondContact O-CD2 3.15Å; L491-K706 PolarHBondContact O-N 3.48Å; L491-T709 HydrophobicContact CB-CG2 4.13Å; L491-T709 HydrophobicContact CD2-CG2 3.5Å; L491-T709 HydrophobicContact CG-CG2 4.41Å; L491-T709 PolarHBondContact O-OG1 3.23Å; L491-I713 HydrophobicContact CD2-CD1 4.39Å; L491-M725 HydrophobicContact CD1-CE 3.86Å; L491-M725 HydrophobicContact CD1-CG 4.38Å; L491-M743 HydrophobicContact CD1-CE 3.98Å; L491-I1081 HydrophobicContact CD2-CD1 3.83Å; L491-I1081 HydrophobicContact CD2-CG2 4.5Å |
| 492 | T | 87.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -95.6 | 164.8 | 174 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | K487 T488 G489 N703 R704 L705 K706 V737 | K487-T492 HydrophobicContact CD-CG2 4.04Å; K487-T492 HydrophobicContact CG-CG2 4.13Å; K487-T492 PolarHBondContact O-N 3.25Å; K487-T492 PolarHBondContact O-OG1 3.4Å; T488-T492 WeakPolarHBondContact CA-OG1 3.37Å; G489-T492 CarbonylContact C-O 3.47Å; G489-T492 PolarHBondContact N-O 2.98Å; T492-N703 HydrophobicContact CG2-CB 4.26Å; T492-R704 CarbonylContact C-O 3.6Å; T492-R704 WeakPolarHBondContact CA-O 3.22Å; T492-R704 WeakPolarHBondContact CB-O 3.27Å; T492-L705 HydrophobicContact CG2-CD2 4.39Å; T492-K706 WeakPolarHBondContact O-CE 3.38Å; T492-V737 HydrophobicContact CG2-CG1 4.01Å; T492-V737 HydrophobicContact CG2-CG2 4.45Å |
| 493 | E | 82.9 | Confident | 85.3 | Confident | 72 Ų | 72 | 22 Ų | 22 | 34% | 0.336 | 12% | 0.119 | S | C | . | . | trans | -61.7 | 160 | 170.9 | -65.4 | -177 | 150.1 | 0 | 0 | 111.6 | G495 R704 K706 | E493-G495 VanDerWaalsContact C-N 3.3Å; E493-G495 PolarHBondContact O-N 3.02Å; E493-R704 PolarHBondContact N-O 3.4Å; E493-R704 VanDerWaalsContact OE2-CD 3.27Å; E493-R704 WeakPolarHBondContact OE2-CD 3.31Å; E493-K706 HydrophobicContact CG-CG 3.84Å | ||
| 494 | D | 68 | Low | 84.8 | Confident | 92 Ų | 92 | 25.1 Ų | 25.1 | 49% | 0.492 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -78.7 | 73.9 | -172.2 | -60.9 | 29.1 | 0 | 0 | 0 | 110.2 | K706 Q1079 | D494-K706 VanDerWaalsContact OD1-CE 3.27Å; D494-K706 WeakPolarHBondContact OD1-CE 3.31Å; D494-K706 IonicContact OD1-NZ 2.71Å; D494-K706 PolarHBondContact OD1-NZ 3.38Å; D494-Q1079 PolarHBondContact OD2-NE2 2.92Å |
| 495 | G | 64.7 | Low | 84.1 | Confident | 25 Ų | 25 | 31 Ų | 31 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 145.1 | -162.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E493 | E493-G495 VanDerWaalsContact C-N 3.3Å; E493-G495 PolarHBondContact O-N 3.02Å |
| 496 | L | 72.3 | Confident | 83.1 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | trans | -127.8 | 129.7 | 176.9 | -77.7 | 154.7 | 0 | 0 | 0 | 108.3 | L546 K549 R665 M701 N703 | L496-L546 HydrophobicContact CD1-CB 4.36Å; L496-L546 HydrophobicContact CD1-CD1 3.84Å; L496-L546 HydrophobicContact CD1-CG 4.04Å; L496-K549 WeakPolarHBondContact O-CG 3.25Å; L496-R665 HydrophobicContact CD2-CB 4.04Å; L496-R665 HydrophobicContact CD2-CG 4.49Å; L496-M701 HydrophobicContact CB-CB 4.32Å; L496-M701 HydrophobicContact CB-SD 4.38Å; L496-M701 HydrophobicContact CD2-CB 4.2Å; L496-N703 WeakPolarHBondContact CD2-OD1 3.32Å | ||
| 497 | D | 77.7 | Confident | 82.2 | Confident | 64 Ų | 64 | 40 Ų | 40 | 34% | 0.342 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.5 | 174.6 | -103.3 | -26.2 | 0 | 0 | 0 | 111.2 | W499 K549 M701 E702 | D497-W499 PolarHBondContact O-N 3.48Å; D497-K549 WeakPolarHBondContact OD1-CE 3.44Å; D497-K549 IonicContact OD1-NZ 3.49Å; D497-K549 PolarHBondContact OD1-NZ 3.08Å; D497-M701 CarbonylContact O-C 3.5Å; D497-M701 WeakPolarHBondContact O-CA 3.48Å; D497-M701 WeakPolarHBondContact O-CB 3.42Å; D497-E702 PolarHBondContact N-O 3.36Å; D497-E702 VanDerWaalsContact N-O 3.13Å; D497-E702 PolarHBondContact O-N 2.96Å |
| 498 | M | 83 | Confident | 81.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 21% | 0.212 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.6 | 176.2 | -92.1 | -60.4 | -61.6 | 0 | 0 | 110.4 | I501 P516 L699 M701 | M498-I501 HydrophobicContact CE-CD1 4.41Å; M498-I501 HydrophobicContact CE-CG1 4.01Å; M498-P516 HydrophobicContact CE-CG 3.93Å; M498-L699 HydrophobicContact CE-CD1 3.55Å; M498-L699 HydrophobicContact SD-CD1 3.54Å; M498-L699 VanDerWaalsContact SD-CD1 3.54Å; M498-L699 HydrophobicContact SD-CG 4.29Å; M498-M701 HydrophobicContact SD-CG 3.87Å |
| 499 | W | 86.4 | Confident | 82 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -44.2 | 172.8 | -176.4 | 94.9 | 0 | 0 | 0 | 111.1 | D497 P512 L514 Y659 Y664 I700 | D497-W499 PolarHBondContact O-N 3.48Å; W499-P512 HydrophobicContact CH2-CB 4.13Å; W499-P512 HydrophobicContact CH2-CG 4.44Å; W499-P512 HydrophobicContact CZ3-CB 3.87Å; W499-L514 HydrophobicContact CE3-CD2 4.46Å; W499-L514 HydrophobicContact CZ3-CD2 4.45Å; W499-L514 VanDerWaalsContact O-CD2 3.23Å; W499-L514 WeakPolarHBondContact O-CD2 3.44Å; W499-Y659 AromaticContact CH2-CE1 3.76Å; W499-Y659 HydrophobicContact CH2-CE1 3.76Å; W499-Y659 HydrophobicContact CZ2-CE1 4.32Å; W499-Y659 AromaticContact CZ3-CE1 3.94Å; W499-Y659 HydrophobicContact CZ3-CE1 3.94Å; W499-Y664 HydrophobicContact CB-CD1 4.43Å; W499-Y664 HydrophobicContact CB-CE1 4.31Å; W499-Y664 AromaticContact CD1-CE1 3.36Å; W499-Y664 AromaticContact CD1-CZ 3.66Å; W499-Y664 HydrophobicContact CG-CD1 4.31Å; W499-Y664 AromaticContact CG-CE1 3.85Å; W499-Y664 HydrophobicContact CG-CE1 3.85Å; W499-Y664 AromaticContact NE1-CE1 3.79Å; W499-Y664 AromaticContact NE1-CZ 3.57Å; W499-Y664 PolarHBondContact NE1-OH 2.96Å; W499-I700 HydrophobicContact CB-CB 4.46Å; W499-I700 HydrophobicContact CB-CG2 4.04Å; W499-I700 WeakPolarHBondContact CB-O 3.4Å; W499-I700 HydrophobicContact CD2-CG2 4.12Å; W499-I700 HydrophobicContact CE3-CB 3.98Å; W499-I700 HydrophobicContact CE3-CD1 4.18Å; W499-I700 HydrophobicContact CE3-CG2 3.83Å; W499-I700 HydrophobicContact CG-CG2 4.24Å; W499-I700 HydrophobicContact CZ3-CD1 4.1Å; W499-I700 PolarHBondContact N-O 3.1Å |
| 500 | G | 89.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -174.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E513 I700 | G500-E513 CarbonylContact C-O 3.44Å; G500-E513 WeakPolarHBondContact CA-O 3.5Å; G500-I700 PolarHBondContact N-O 3.32Å; G500-I700 PolarHBondContact O-N 3.1Å |
| 501 | I | 90.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.5 | -179.2 | -65.2 | -177 | 0 | 0 | 0 | 109.4 | M498 P512 E513 P516 L519 L524 L528 L698 L699 | M498-I501 HydrophobicContact CE-CD1 4.41Å; M498-I501 HydrophobicContact CE-CG1 4.01Å; I501-P512 CarbonylContact O-C 3.56Å; I501-P512 WeakPolarHBondContact O-CA 3.35Å; I501-E513 PolarHBondContact N-O 3.03Å; I501-E513 PolarHBondContact O-N 3.04Å; I501-P516 HydrophobicContact CD1-CB 3.93Å; I501-P516 HydrophobicContact CD1-CG 3.73Å; I501-P516 HydrophobicContact CG1-CG 4.15Å; I501-L519 HydrophobicContact CD1-CD1 4.41Å; I501-L524 HydrophobicContact CG2-CD1 4.29Å; I501-L524 HydrophobicContact CG2-CD2 4.12Å; I501-L528 HydrophobicContact CD1-CD1 3.29Å; I501-L528 HydrophobicContact CD1-CD2 3.59Å; I501-L528 HydrophobicContact CD1-CG 4.05Å; I501-L698 CarbonylContact C-O 3.56Å; I501-L698 WeakPolarHBondContact CA-O 3.49Å; I501-L699 HydrophobicContact CD1-CD1 3.79Å; I501-L699 HydrophobicContact CG1-CD1 3.6Å |
| 502 | I | 91.5 | Very high | 81.5 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 107.4 | 172.3 | -52.7 | -171.8 | 0 | 0 | 0 | 108.1 | F509 P512 T655 Y659 G697 L698 I700 | I502-F509 HydrophobicContact CB-CD1 4.33Å; I502-F509 HydrophobicContact CG2-CB 3.56Å; I502-F509 HydrophobicContact CG2-CD1 3.49Å; I502-F509 VanDerWaalsContact CG2-CD1 3.49Å; I502-F509 HydrophobicContact CG2-CE1 4.4Å; I502-F509 HydrophobicContact CG2-CG 3.76Å; I502-P512 HydrophobicContact CG1-CB 4.13Å; I502-T655 HydrophobicContact CD1-CG2 4.27Å; I502-Y659 HydrophobicContact CD1-CD2 4.09Å; I502-Y659 HydrophobicContact CD1-CE2 3.31Å; I502-G697 CarbonylContact O-C 3.46Å; I502-G697 WeakPolarHBondContact O-CA 3.4Å; I502-L698 HydrophobicContact CB-CB 4.41Å; I502-L698 PolarHBondContact N-O 2.99Å; I502-L698 PolarHBondContact O-N 3.39Å; I502-I700 HydrophobicContact CD1-CD1 3.53Å; I502-I700 HydrophobicContact CG1-CD1 3.73Å |
| 503 | P | 89.4 | Confident | 81.4 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 155.4 | 179.1 | 30.4 | -34.1 | 0 | 0 | 0 | 111.7 | G510 D511 L524 | P503-G510 PolarHBondContact O-N 3.39Å; P503-D511 WeakPolarHBondContact CD-O 3.29Å; P503-L524 HydrophobicContact CB-CD2 3.93Å |
| 504 | Y | 87 | Confident | 81.5 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 26% | 0.255 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.6 | 167.4 | 171 | -93 | 0 | 0 | 0 | 110.6 | G507 T647 P649 F695 L696 | Y504-G507 PolarHBondContact OH-N 2.81Å; Y504-T647 WeakPolarHBondContact CE2-O 3.29Å; Y504-P649 HydrophobicContact CD2-CG 3.7Å; Y504-P649 HydrophobicContact CE2-CG 4.01Å; Y504-F695 AromaticContact CD2-CD1 3.81Å; Y504-F695 HydrophobicContact CD2-CD1 3.81Å; Y504-F695 HydrophobicContact CD2-CE1 4.37Å; Y504-F695 HydrophobicContact CG-CD1 4.18Å; Y504-L696 WeakPolarHBondContact CB-O 3.38Å; Y504-L696 PolarHBondContact N-O 3.27Å |
| 505 | E | 80.8 | Confident | 82.2 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 117.2 | 176.3 | -66.4 | -173.9 | -178.5 | 0 | 0 | 110.3 | G507 L508 | E505-G507 PolarHBondContact O-N 3.35Å; E505-L508 PolarHBondContact N-O 3.45Å; E505-L508 PolarHBondContact O-N 2.93Å; E505-L508 VanDerWaalsContact O-O 3.12Å |
| 506 | D | 74.9 | Confident | 82.9 | Confident | 174 Ų | 174 | 58.5 Ų | 58.5 | 93% | 0.93 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.3 | 36.1 | 171.6 | -70.7 | -15.1 | 0 | 0 | 0 | 117.5 | ||
| 507 | G | 74.2 | Confident | 83.3 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 6.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y504 E505 P649 | Y504-G507 PolarHBondContact OH-N 2.81Å; E505-G507 PolarHBondContact O-N 3.35Å; G507-P649 WeakPolarHBondContact O-CA 3.47Å |
| 508 | L | 81.3 | Confident | 83.4 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 175 | 172.3 | -70.6 | 168.5 | 0 | 0 | 0 | 109.9 | E505 | E505-L508 PolarHBondContact N-O 3.45Å; E505-L508 PolarHBondContact O-N 2.93Å; E505-L508 VanDerWaalsContact O-O 3.12Å |
| 509 | F | 83.3 | Confident | 83.2 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.8 | 163 | -70.8 | -68.4 | 0 | 0 | 0 | 110.8 | I502 P649 D651 F652 T655 F695 L698 | I502-F509 HydrophobicContact CB-CD1 4.33Å; I502-F509 HydrophobicContact CG2-CB 3.56Å; I502-F509 HydrophobicContact CG2-CD1 3.49Å; I502-F509 VanDerWaalsContact CG2-CD1 3.49Å; I502-F509 HydrophobicContact CG2-CE1 4.4Å; I502-F509 HydrophobicContact CG2-CG 3.76Å; F509-P649 HydrophobicContact CD1-CG 4.32Å; F509-P649 HydrophobicContact CD2-CB 4.1Å; F509-P649 HydrophobicContact CD2-CG 4.29Å; F509-P649 HydrophobicContact CE1-CG 4.09Å; F509-P649 HydrophobicContact CE2-CB 3.9Å; F509-P649 HydrophobicContact CE2-CG 4.06Å; F509-P649 HydrophobicContact CG-CG 4.43Å; F509-P649 HydrophobicContact CZ-CB 4.28Å; F509-P649 HydrophobicContact CZ-CG 3.97Å; F509-D651 WeakPolarHBondContact CD2-OD2 3.47Å; F509-F652 HydrophobicContact CZ-CD2 4.02Å; F509-T655 HydrophobicContact CD2-CG2 3.83Å; F509-T655 HydrophobicContact CE2-CG2 3.86Å; F509-T655 HydrophobicContact CG-CG2 4.44Å; F509-F695 AromaticContact CE1-CE1 3.67Å; F509-F695 HydrophobicContact CE1-CE1 3.67Å; F509-F695 AromaticContact CE1-CZ 3.85Å; F509-F695 HydrophobicContact CE1-CZ 3.85Å; F509-F695 HydrophobicContact CZ-CE1 4.23Å; F509-F695 HydrophobicContact CZ-CZ 4.28Å; F509-L698 HydrophobicContact CE1-CD1 3.92Å; F509-L698 HydrophobicContact CE1-CG 3.86Å; F509-L698 HydrophobicContact CZ-CD1 3.77Å; F509-L698 HydrophobicContact CZ-CG 4.12Å |
| 510 | G | 80.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | trans | -77.1 | -178.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.7 | P503 | P503-G510 PolarHBondContact O-N 3.39Š| ||
| 511 | D | 82.2 | Confident | 82 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 80% | 0.802 | 38% | 0.377 | S | S | * | . | trans | -63.7 | 146.7 | 172.6 | -85 | -44.3 | 0 | 0 | 0 | 111.2 | P503 E513 | P503-D511 WeakPolarHBondContact CD-O 3.29Å; D511-E513 PolarHBondContact O-N 2.9Å | ||
| 512 | P | 84.4 | Confident | 81.7 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 31% | 0.312 | 39% | 0.386 | S | S | . | . | trans | -71.3 | 115.9 | -179.8 | 27.6 | -33.6 | 0 | 0 | 0 | 111.8 | W499 I501 I502 | W499-P512 HydrophobicContact CH2-CB 4.13Å; W499-P512 HydrophobicContact CH2-CG 4.44Å; W499-P512 HydrophobicContact CZ3-CB 3.87Å; I501-P512 CarbonylContact O-C 3.56Å; I501-P512 WeakPolarHBondContact O-CA 3.35Å; I502-P512 HydrophobicContact CG1-CB 4.13Å | ||
| 513 | E | 85.8 | Confident | 81.6 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -85.8 | 129.2 | 179 | -167.6 | 50.6 | -92.6 | 0 | 0 | 111.4 | G500 I501 D511 L519 | G500-E513 CarbonylContact C-O 3.44Å; G500-E513 WeakPolarHBondContact CA-O 3.5Å; I501-E513 PolarHBondContact N-O 3.03Å; I501-E513 PolarHBondContact O-N 3.04Å; D511-E513 PolarHBondContact O-N 2.9Å; E513-L519 HydrophobicContact CB-CD2 4.32Å; E513-L519 HydrophobicContact CG-CD2 4.11Å; E513-L519 HydrophobicContact CG-CG 4.33Å |
| 514 | L | 84.6 | Confident | 81.6 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 56% | 0.56 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -98.5 | -24.8 | -170.4 | -62.7 | 175.9 | 0 | 0 | 0 | 113.2 | W499 | W499-L514 HydrophobicContact CE3-CD2 4.46Å; W499-L514 HydrophobicContact CZ3-CD2 4.45Å; W499-L514 VanDerWaalsContact O-CD2 3.23Å; W499-L514 WeakPolarHBondContact O-CD2 3.44Å |
| 515 | E | 82.4 | Confident | 81.8 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | trans | -117.5 | 96.6 | 170.8 | -76.2 | -156.2 | -133.9 | 0 | 0 | 110.3 | S517 E518 K555 | E515-S517 PolarHBondContact O-N 2.84Å; E515-E518 HydrophobicContact CB-CG 4.27Å; E515-E518 PolarHBondContact O-N 3.36Å; E515-K555 IonicContact OE2-NZ 2.74Å; E515-K555 PolarHBondContact OE2-NZ 2.33Å | ||
| 516 | P | 80.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.032 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -53.2 | -25.3 | -178.7 | -31.1 | 37.7 | 0 | 0 | 0 | 115.1 | M498 I501 E518 L519 M525 L528 | M498-P516 HydrophobicContact CE-CG 3.93Å; I501-P516 HydrophobicContact CD1-CB 3.93Å; I501-P516 HydrophobicContact CD1-CG 3.73Å; I501-P516 HydrophobicContact CG1-CG 4.15Å; P516-E518 PolarHBondContact O-N 3.16Å; P516-L519 HydrophobicContact CB-CD1 4.34Å; P516-L519 VanDerWaalsContact O-CB 3.3Å; P516-L519 WeakPolarHBondContact O-CB 3.29Å; P516-L519 WeakPolarHBondContact O-CG 3.38Å; P516-L519 PolarHBondContact O-N 2.94Å; P516-L519 VanDerWaalsContact O-N 3.17Å; P516-M525 WeakPolarHBondContact O-CE 3.48Å; P516-L528 HydrophobicContact CB-CD1 4.44Å |
| 517 | S | 80 | Confident | 83.1 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -67.3 | -10.6 | 174.2 | 64.1 | 0 | 0 | 0 | 0 | 115.9 | E515 S553 K555 | E515-S517 PolarHBondContact O-N 2.84Å; S517-S553 PolarHBondContact N-O 3.26Å; S517-K555 VanDerWaalsContact OG-CE 3.26Å; S517-K555 WeakPolarHBondContact OG-CE 3.45Å; S517-K555 PolarHBondContact OG-NZ 2.8Å |
| 518 | E | 78.6 | Confident | 83.9 | Confident | 143 Ų | 143 | 56.6 Ų | 56.6 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -90.1 | -4.5 | 173.1 | -57.7 | -157.7 | 147.5 | 0 | 0 | 112.3 | E515 P516 | E515-E518 HydrophobicContact CB-CG 4.27Å; E515-E518 PolarHBondContact O-N 3.36Å; P516-E518 PolarHBondContact O-N 3.16Å |
| 519 | L | 79.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.8 | 144.9 | 174.1 | -66.2 | 168.8 | 0 | 0 | 0 | 112.3 | I501 E513 P516 L524 M525 L528 | I501-L519 HydrophobicContact CD1-CD1 4.41Å; E513-L519 HydrophobicContact CB-CD2 4.32Å; E513-L519 HydrophobicContact CG-CD2 4.11Å; E513-L519 HydrophobicContact CG-CG 4.33Å; P516-L519 HydrophobicContact CB-CD1 4.34Å; P516-L519 VanDerWaalsContact O-CB 3.3Å; P516-L519 WeakPolarHBondContact O-CB 3.29Å; P516-L519 WeakPolarHBondContact O-CG 3.38Å; P516-L519 PolarHBondContact O-N 2.94Å; P516-L519 VanDerWaalsContact O-N 3.17Å; L519-L524 HydrophobicContact CD1-CD2 4.03Å; L519-L524 HydrophobicContact CD1-CG 4.37Å; L519-L524 HydrophobicContact CD2-CD2 4.45Å; L519-M525 HydrophobicContact CB-CG 3.61Å; L519-M525 HydrophobicContact CB-SD 3.96Å; L519-M525 HydrophobicContact CD1-CG 4.31Å; L519-M525 HydrophobicContact CD1-SD 4.06Å; L519-L528 HydrophobicContact CD1-CD1 4.34Å |
| 520 | D | 76.6 | Confident | 84.8 | Confident | 155 Ų | 155 | 49.9 Ų | 49.9 | 83% | 0.829 | 27% | 0.271 | S | S | * | . | trans | -62 | 148.8 | 174.4 | -85.1 | -41.5 | 0 | 0 | 0 | 113.2 | G522 M525 | D520-G522 PolarHBondContact O-N 3.28Å; D520-M525 WeakPolarHBondContact O-CG 3.43Å | ||
| 521 | N | 74.2 | Confident | 85.3 | Confident | 95 Ų | 95 | 49.1 Ų | 49.1 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.2 | 98.5 | 175.5 | -74.6 | -38.1 | 0 | 0 | 0 | 110.9 | Y599 | N521-Y599 HydrophobicContact CB-CE1 4.41Š|
| 522 | G | 84.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -165 | -166.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D520 L524 M525 E526 | D520-G522 PolarHBondContact O-N 3.28Å; G522-L524 PolarHBondContact O-N 2.89Å; G522-M525 PolarHBondContact O-N 2.93Å; G522-E526 PolarHBondContact O-N 3.15Å |
| 523 | P | 88.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -28.2 | -167.3 | -31 | 37.4 | 0 | 0 | 0 | 116.3 | C527 Y631 W671 L696 | P523-C527 VanDerWaalsContact O-CB 3.26Å; P523-C527 WeakPolarHBondContact O-CB 3.43Å; P523-C527 PolarHBondContact O-N 2.83Å; P523-Y631 HydrophobicContact CB-CE1 4.2Å; P523-Y631 VanDerWaalsContact O-CE1 3.24Å; P523-Y631 WeakPolarHBondContact O-CE1 3.48Å; P523-W671 HydrophobicContact CB-CD2 3.83Å; P523-W671 HydrophobicContact CB-CE3 4.17Å; P523-W671 HydrophobicContact CB-CG 4.28Å; P523-W671 HydrophobicContact CB-CH2 4.27Å; P523-W671 HydrophobicContact CB-CZ2 3.93Å; P523-W671 HydrophobicContact CB-CZ3 4.39Å; P523-W671 HydrophobicContact CG-CD2 4.33Å; P523-W671 HydrophobicContact CG-CE3 4.43Å; P523-W671 HydrophobicContact CG-CH2 3.7Å; P523-W671 HydrophobicContact CG-CZ2 3.55Å; P523-W671 HydrophobicContact CG-CZ3 4.14Å; P523-L696 HydrophobicContact CB-CD2 3.92Å; P523-L696 WeakPolarHBondContact O-CD1 3.22Å |
| 524 | L | 90.6 | Very high | 85.8 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.7 | -48.3 | 174.5 | -179.9 | 59.6 | 0 | 0 | 0 | 111.5 | I501 P503 L519 G522 C527 L528 L669 L696 | I501-L524 HydrophobicContact CG2-CD1 4.29Å; I501-L524 HydrophobicContact CG2-CD2 4.12Å; P503-L524 HydrophobicContact CB-CD2 3.93Å; L519-L524 HydrophobicContact CD1-CD2 4.03Å; L519-L524 HydrophobicContact CD1-CG 4.37Å; L519-L524 HydrophobicContact CD2-CD2 4.45Å; G522-L524 PolarHBondContact O-N 2.89Å; L524-C527 WeakPolarHBondContact O-CB 3.26Å; L524-C527 PolarHBondContact O-N 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.49Å; L524-L528 PolarHBondContact O-N 3.25Å; L524-L528 VanDerWaalsContact O-N 3.14Å; L524-L669 HydrophobicContact CD1-CD1 3.71Å; L524-L696 HydrophobicContact CD1-CB 4.22Å |
| 525 | M | 90.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 176.1 | -81.7 | -65.8 | -84.6 | 0 | 0 | 112.6 | P516 L519 D520 G522 C527 L528 A529 T554 | P516-M525 WeakPolarHBondContact O-CE 3.48Å; L519-M525 HydrophobicContact CB-CG 3.61Å; L519-M525 HydrophobicContact CB-SD 3.96Å; L519-M525 HydrophobicContact CD1-CG 4.31Å; L519-M525 HydrophobicContact CD1-SD 4.06Å; D520-M525 WeakPolarHBondContact O-CG 3.43Å; G522-M525 PolarHBondContact O-N 2.93Å; M525-C527 VanDerWaalsContact C-N 3.28Å; M525-C527 PolarHBondContact O-N 3.19Å; M525-L528 PolarHBondContact O-N 2.78Å; M525-L528 HydrophobicContact SD-CD1 3.9Å; M525-A529 WeakPolarHBondContact O-CB 3.29Å; M525-A529 PolarHBondContact O-N 2.91Å; M525-T554 HydrophobicContact CE-CG2 4.36Å; M525-T554 HydrophobicContact SD-CG2 4.35Å |
| 526 | E | 90.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 171.2 | -71.1 | 176.9 | -98.3 | 0 | 0 | 111.5 | G522 L528 A529 T530 Y599 Y631 | G522-E526 PolarHBondContact O-N 3.15Å; E526-L528 PolarHBondContact O-N 3.01Å; E526-A529 PolarHBondContact O-N 2.85Å; E526-T530 VanDerWaalsContact O-CB 3.32Å; E526-T530 WeakPolarHBondContact O-CB 3.13Å; E526-T530 WeakPolarHBondContact O-CG2 3.37Å; E526-T530 PolarHBondContact O-N 2.9Å; E526-T530 PolarHBondContact O-OG1 2.78Å; E526-Y599 PolarHBondContact OE1-OH 2.83Å; E526-Y631 HydrophobicContact CB-CE1 4.12Å; E526-Y631 HydrophobicContact CB-CE2 3.95Å; E526-Y631 VanDerWaalsContact CD-OH 3.26Å; E526-Y631 PolarHBondContact OE1-OH 2.91Å; E526-Y631 PolarHBondContact OE2-OH 3.48Å; E526-Y631 VanDerWaalsContact OE2-OH 3.13Å |
| 527 | C | 92.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.7 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | P523 L524 M525 C531 Y631 L696 | P523-C527 VanDerWaalsContact O-CB 3.26Å; P523-C527 WeakPolarHBondContact O-CB 3.43Å; P523-C527 PolarHBondContact O-N 2.83Å; L524-C527 WeakPolarHBondContact O-CB 3.26Å; L524-C527 PolarHBondContact O-N 3.29Å; M525-C527 VanDerWaalsContact C-N 3.28Å; M525-C527 PolarHBondContact O-N 3.19Å; C527-C531 WeakPolarHBondContact O-CB 3.4Å; C527-C531 PolarHBondContact O-N 2.85Å; C527-Y631 HydrophobicContact CB-CD1 3.55Å; C527-Y631 HydrophobicContact CB-CE1 4.22Å; C527-Y631 HydrophobicContact CB-CG 4.14Å; C527-L696 HydrophobicContact CB-CD1 3.87Å |
| 528 | L | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 178.6 | -63.7 | 162 | 0 | 0 | 0 | 112.3 | I501 P516 L519 L524 M525 E526 M550 T554 L669 L699 | I501-L528 HydrophobicContact CD1-CD1 3.29Å; I501-L528 HydrophobicContact CD1-CD2 3.59Å; I501-L528 HydrophobicContact CD1-CG 4.05Å; P516-L528 HydrophobicContact CB-CD1 4.44Å; L519-L528 HydrophobicContact CD1-CD1 4.34Å; L524-L528 WeakPolarHBondContact O-CG 3.49Å; L524-L528 PolarHBondContact O-N 3.25Å; L524-L528 VanDerWaalsContact O-N 3.14Å; M525-L528 PolarHBondContact O-N 2.78Å; M525-L528 HydrophobicContact SD-CD1 3.9Å; E526-L528 PolarHBondContact O-N 3.01Å; L528-M550 HydrophobicContact CD2-CG 3.83Å; L528-M550 HydrophobicContact CD2-SD 4.22Å; L528-T554 HydrophobicContact CB-CG2 3.66Å; L528-L669 HydrophobicContact CD2-CD1 3.86Å; L528-L669 HydrophobicContact CG-CD1 4.36Å; L528-L699 HydrophobicContact CD2-CD1 4.03Å |
| 529 | A | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.6 | -14.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M525 E526 H532 F551 T554 W556 V576 | M525-A529 WeakPolarHBondContact O-CB 3.29Å; M525-A529 PolarHBondContact O-N 2.91Å; E526-A529 PolarHBondContact O-N 2.85Å; A529-H532 PolarHBondContact O-NE2 2.92Å; A529-H532 VanDerWaalsContact O-NE2 3.15Å; A529-F551 HydrophobicContact CB-CE2 4.44Å; A529-T554 HydrophobicContact CB-CG2 4.47Å; A529-W556 HydrophobicContact CB-CD2 3.77Å; A529-W556 HydrophobicContact CB-CE3 3.64Å; A529-W556 HydrophobicContact CB-CG 4.18Å; A529-W556 HydrophobicContact CB-CZ3 4.13Å; A529-V576 HydrophobicContact CB-CG2 4.4Å |
| 530 | T | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -124.6 | -28 | -176.4 | 65.9 | 0 | 0 | 0 | 0 | 115.6 | E526 H532 V576 V601 I603 T620 | E526-T530 VanDerWaalsContact O-CB 3.32Å; E526-T530 WeakPolarHBondContact O-CB 3.13Å; E526-T530 WeakPolarHBondContact O-CG2 3.37Å; E526-T530 PolarHBondContact O-N 2.9Å; E526-T530 PolarHBondContact O-OG1 2.78Å; T530-H532 PolarHBondContact O-N 3.45Å; T530-V576 HydrophobicContact CG2-CG2 3.58Å; T530-V601 HydrophobicContact CG2-CB 4.2Å; T530-V601 HydrophobicContact CG2-CG1 3.74Å; T530-I603 HydrophobicContact CG2-CG1 4.32Å; T530-T620 HydrophobicContact CG2-CG2 4.03Å |
| 531 | C | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -83 | 61.8 | -173 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | C527 Y631 K633 | C527-C531 WeakPolarHBondContact O-CB 3.4Å; C527-C531 PolarHBondContact O-N 2.85Å; C531-Y631 PolarHBondContact SG-O 3.09Å; C531-K633 VanDerWaalsContact O-CD 3.3Å; C531-K633 WeakPolarHBondContact O-CD 3.31Å; C531-K633 WeakPolarHBondContact O-CE 3.45Å; C531-K633 PolarHBondContact O-NZ 2.96Å |
| 532 | H | 90 | Very high | 85.5 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -145.1 | 164.4 | -176.5 | 60.6 | 28.5 | 0 | 0 | 0 | 112.8 | A529 T530 L534 D547 F551 F558 Q606 | A529-H532 PolarHBondContact O-NE2 2.92Å; A529-H532 VanDerWaalsContact O-NE2 3.15Å; T530-H532 PolarHBondContact O-N 3.45Å; H532-L534 HydrophobicContact CB-CG 4.24Å; H532-D547 WeakPolarHBondContact CA-OD2 3.42Å; H532-D547 HydrophobicContact CB-CB 4.05Å; H532-D547 WeakPolarHBondContact CB-OD2 3.15Å; H532-F551 AromaticContact CD2-CD2 3.6Å; H532-F551 AromaticContact NE2-CD2 3.34Å; H532-F551 VanDerWaalsContact NE2-CD2 3.34Å; H532-F551 WeakPolarHBondContact NE2-CD2 3.42Å; H532-F551 AromaticContact NE2-CE2 3.79Å; H532-F558 AromaticContact CE1-CD2 3.96Å; H532-F558 AromaticContact CE1-CE2 3.65Å; H532-Q606 PolarHBondContact O-NE2 3.4Å; H532-Q606 PolarHBondContact O-OE1 2.99Å |
| 533 | S | 84.3 | Confident | 85.2 | Confident | 44 Ų | 44 | 31 Ų | 31 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -113.5 | 39 | 173.3 | -67 | 0 | 0 | 0 | 0 | 113 | D547 Q606 M616 | S533-D547 PolarHBondContact N-OD2 3.42Å; S533-Q606 PolarHBondContact OG-OE1 2.67Å; S533-M616 WeakPolarHBondContact OG-CE 3.29Å | ||
| 534 | L | 86.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -71 | 152.4 | 170.9 | -61.6 | 177.1 | 0 | 0 | 0 | 111.7 | H532 L541 A542 D547 L548 F551 F558 | H532-L534 HydrophobicContact CB-CG 4.24Å; L534-L541 HydrophobicContact CB-CD1 4.44Å; L534-L541 HydrophobicContact CB-CG 4.45Å; L534-L541 HydrophobicContact CD1-CD2 3.85Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L534-A542 WeakPolarHBondContact CA-O 3.41Å; L534-D547 HydrophobicContact CD2-CB 3.96Å; L534-D547 HydrophobicContact CG-CB 4.14Å; L534-L548 HydrophobicContact CD2-CB 4.17Å; L534-L548 HydrophobicContact CD2-CD1 4.49Å; L534-F551 HydrophobicContact CD1-CB 3.52Å; L534-F551 HydrophobicContact CD1-CD1 4.45Å; L534-F551 HydrophobicContact CD1-CG 3.93Å; L534-F558 HydrophobicContact CB-CE2 4.15Å; L534-F558 HydrophobicContact CB-CZ 4.47Å; L534-F558 WeakPolarHBondContact O-CZ 3.24Å | ||
| 535 | T | 81.4 | Confident | 84.1 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.6 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | I309 A542 | I309-T535 HydrophobicContact CD1-CG2 4.17Å; T535-A542 PolarHBondContact N-O 3.08Å; T535-A542 PolarHBondContact O-N 2.96Å; T535-A542 PolarHBondContact OG1-O 2.73Å |
| 536 | L | 82.1 | Confident | 83.7 | Confident | 58 Ų | 58 | 33.8 Ų | 33.8 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.8 | 174.9 | -163 | 72.1 | 0 | 0 | 0 | 110.1 | L541 F558 E560 | L536-L541 HydrophobicContact CD1-CD1 4.36Å; L536-F558 HydrophobicContact CB-CD1 4.37Å; L536-F558 HydrophobicContact CB-CE1 4Å; L536-E560 PolarHBondContact N-OE2 2.72Å |
| 537 | I | 73.6 | Confident | 83.5 | Confident | 30 Ų | 30 | 34.1 Ų | 34.1 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.1 | -179.9 | -58.5 | -177.8 | 0 | 0 | 0 | 108 | I309 P321 I354 G539 V540 A542 | I309-I537 HydrophobicContact CG2-CD1 4.13Å; P321-I537 HydrophobicContact CB-CD1 4.12Å; P321-I537 HydrophobicContact CG-CD1 4.08Å; I354-I537 HydrophobicContact CD1-CD1 3.87Å; I354-I537 HydrophobicContact CG2-CG2 3.76Å; I537-G539 PolarHBondContact O-N 2.85Å; I537-V540 PolarHBondContact N-O 2.94Å; I537-V540 WeakPolarHBondContact O-CB 3.33Å; I537-V540 PolarHBondContact O-N 3.08Å; I537-A542 HydrophobicContact CD1-CB 3.83Å; I537-A542 HydrophobicContact CG1-CB 4.17Å |
| 538 | E | 73.8 | Confident | 83.2 | Confident | 201 Ų | 201 | 36 Ų | 36 | 94% | 0.939 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 25.5 | -175.3 | -56.4 | -166.8 | 147.7 | 0 | 0 | 114.6 | ||
| 539 | G | 75.9 | Confident | 83 | Confident | 58 Ų | 58 | 39.8 Ų | 39.8 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I537 | I537-G539 PolarHBondContact O-N 2.85Š|
| 540 | V | 81.4 | Confident | 82.9 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 61% | 0.606 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.5 | 172.6 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | I537 | I537-V540 PolarHBondContact N-O 2.94Å; I537-V540 WeakPolarHBondContact O-CB 3.33Å; I537-V540 PolarHBondContact O-N 3.08Å |
| 541 | L | 83.5 | Confident | 82.9 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.4 | 178.6 | -157.7 | 69.7 | 0 | 0 | 0 | 110.4 | L534 L536 L548 F551 F558 | L534-L541 HydrophobicContact CB-CD1 4.44Å; L534-L541 HydrophobicContact CB-CG 4.45Å; L534-L541 HydrophobicContact CD1-CD2 3.85Å; L534-L541 HydrophobicContact CD1-CG 4.26Å; L536-L541 HydrophobicContact CD1-CD1 4.36Å; L541-L548 HydrophobicContact CB-CD1 4.18Å; L541-L548 HydrophobicContact CD2-CD1 4.01Å; L541-L548 HydrophobicContact CG-CD1 4.21Å; L541-F551 HydrophobicContact CD2-CD1 3.56Å; L541-F551 HydrophobicContact CD2-CE1 3.98Å; L541-F551 HydrophobicContact CD2-CG 4.36Å; L541-F558 HydrophobicContact CD1-CB 3.84Å; L541-F558 HydrophobicContact CD1-CD1 3.29Å; L541-F558 HydrophobicContact CD1-CD2 4.01Å; L541-F558 HydrophobicContact CD1-CE1 3.7Å; L541-F558 HydrophobicContact CD1-CE2 4.35Å; L541-F558 HydrophobicContact CD1-CG 3.47Å; L541-F558 VanDerWaalsContact CD1-CG 3.47Å; L541-F558 HydrophobicContact CD1-CZ 4.22Å |
| 542 | A | 79.7 | Confident | 82.7 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P321 L534 T535 I537 | P321-A542 HydrophobicContact CG-CB 3.96Å; L534-A542 WeakPolarHBondContact CA-O 3.41Å; T535-A542 PolarHBondContact N-O 3.08Å; T535-A542 PolarHBondContact O-N 2.96Å; T535-A542 PolarHBondContact OG1-O 2.73Å; I537-A542 HydrophobicContact CD1-CB 3.83Å; I537-A542 HydrophobicContact CG1-CB 4.17Å |
| 543 | G | 78.1 | Confident | 82.6 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 152.6 | -159.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 544 | D | 77.8 | Confident | 82.9 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | trans | -59.9 | 132.2 | 178.8 | -172.1 | -44.2 | 0 | 0 | 0 | 110.9 | L546 D547 L548 | D544-L546 PolarHBondContact O-N 3.06Å; D544-L546 WeakPolarHBondContact OD1-CB 3.21Å; D544-L546 PolarHBondContact OD1-N 3.23Å; D544-D547 HydrophobicContact CB-CB 4.21Å; D544-D547 PolarHBondContact O-N 3.48Å; D544-D547 VanDerWaalsContact O-N 3.07Å; D544-L548 WeakPolarHBondContact O-CB 3.37Å; D544-L548 PolarHBondContact O-N 2.98Å | ||
| 545 | P | 76.6 | Confident | 82.9 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 29% | 0.292 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.4 | -31.8 | 178.3 | -26.1 | 35.2 | 0 | 0 | 0 | 113.9 | L548 K549 | P545-L548 PolarHBondContact O-N 3.14Å; P545-K549 VanDerWaalsContact O-CB 3.31Å; P545-K549 WeakPolarHBondContact O-CB 3.22Å; P545-K549 WeakPolarHBondContact O-CG 3.48Å; P545-K549 PolarHBondContact O-N 3.1Å |
| 546 | L | 82.5 | Confident | 83.2 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 175.6 | -165.2 | 171.6 | 0 | 0 | 0 | 110.1 | L496 D544 K549 M550 L667 M701 | L496-L546 HydrophobicContact CD1-CB 4.36Å; L496-L546 HydrophobicContact CD1-CD1 3.84Å; L496-L546 HydrophobicContact CD1-CG 4.04Å; D544-L546 PolarHBondContact O-N 3.06Å; D544-L546 WeakPolarHBondContact OD1-CB 3.21Å; D544-L546 PolarHBondContact OD1-N 3.23Å; L546-K549 PolarHBondContact O-N 3.18Å; L546-M550 HydrophobicContact CD2-CE 3.37Å; L546-M550 VanDerWaalsContact O-CB 3.28Å; L546-M550 WeakPolarHBondContact O-CB 3.33Å; L546-M550 PolarHBondContact O-N 3.18Å; L546-L667 HydrophobicContact CD1-CD1 4.23Å; L546-L667 HydrophobicContact CD2-CD1 3.96Å; L546-M701 HydrophobicContact CD1-CE 4.05Å; L546-M701 HydrophobicContact CD1-SD 4.39Å; L546-M701 HydrophobicContact CD2-CE 3.92Å; L546-M701 HydrophobicContact CD2-SD 3.67Å; L546-M701 HydrophobicContact CG-CE 3.91Å; L546-M701 HydrophobicContact CG-SD 3.62Å |
| 547 | D | 87.4 | Confident | 83.5 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.6 | -78.1 | 23.8 | 0 | 0 | 0 | 111.5 | H532 S533 L534 D544 M550 F551 K633 | H532-D547 WeakPolarHBondContact CA-OD2 3.42Å; H532-D547 HydrophobicContact CB-CB 4.05Å; H532-D547 WeakPolarHBondContact CB-OD2 3.15Å; S533-D547 PolarHBondContact N-OD2 3.42Å; L534-D547 HydrophobicContact CD2-CB 3.96Å; L534-D547 HydrophobicContact CG-CB 4.14Å; D544-D547 HydrophobicContact CB-CB 4.21Å; D544-D547 PolarHBondContact O-N 3.48Å; D544-D547 VanDerWaalsContact O-N 3.07Å; D547-M550 PolarHBondContact O-N 2.88Å; D547-F551 WeakPolarHBondContact O-CB 3.49Å; D547-F551 PolarHBondContact O-N 3.11Å; D547-K633 IonicContact OD1-NZ 3.88Å; D547-K633 PolarHBondContact OD1-NZ 3.26Å; D547-K633 IonicContact OD2-NZ 2.68Å; D547-K633 PolarHBondContact OD2-NZ 2.92Å |
| 548 | L | 86.4 | Confident | 84.1 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 177.4 | -176.5 | 62.6 | 0 | 0 | 0 | 111.1 | L534 L541 D544 P545 Q552 | L534-L548 HydrophobicContact CD2-CB 4.17Å; L534-L548 HydrophobicContact CD2-CD1 4.49Å; L541-L548 HydrophobicContact CB-CD1 4.18Å; L541-L548 HydrophobicContact CD2-CD1 4.01Å; L541-L548 HydrophobicContact CG-CD1 4.21Å; D544-L548 WeakPolarHBondContact O-CB 3.37Å; D544-L548 PolarHBondContact O-N 2.98Å; P545-L548 PolarHBondContact O-N 3.14Å; L548-Q552 HydrophobicContact CD1-CG 4.44Å; L548-Q552 VanDerWaalsContact O-CB 3.24Å; L548-Q552 WeakPolarHBondContact O-CB 3.35Å; L548-Q552 WeakPolarHBondContact O-CG 3.45Å; L548-Q552 PolarHBondContact O-N 3.23Å |
| 549 | K | 86.6 | Confident | 84.4 | Confident | 79 Ų | 79 | 40.9 Ų | 40.9 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -42 | 176.2 | -70.8 | -89.4 | -175 | 166.6 | 0 | 111.9 | L496 D497 P545 L546 S553 | L496-K549 WeakPolarHBondContact O-CG 3.25Å; D497-K549 WeakPolarHBondContact OD1-CE 3.44Å; D497-K549 IonicContact OD1-NZ 3.49Å; D497-K549 PolarHBondContact OD1-NZ 3.08Å; P545-K549 VanDerWaalsContact O-CB 3.31Å; P545-K549 WeakPolarHBondContact O-CB 3.22Å; P545-K549 WeakPolarHBondContact O-CG 3.48Å; P545-K549 PolarHBondContact O-N 3.1Å; L546-K549 PolarHBondContact O-N 3.18Å; K549-S553 WeakPolarHBondContact O-CB 3.37Å; K549-S553 PolarHBondContact O-N 3.36Å |
| 550 | M | 89.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -53.1 | 174.9 | -172.8 | -172.1 | -38.4 | 0 | 0 | 110.8 | L528 L546 D547 S553 K633 L699 | L528-M550 HydrophobicContact CD2-CG 3.83Å; L528-M550 HydrophobicContact CD2-SD 4.22Å; L546-M550 HydrophobicContact CD2-CE 3.37Å; L546-M550 VanDerWaalsContact O-CB 3.28Å; L546-M550 WeakPolarHBondContact O-CB 3.33Å; L546-M550 PolarHBondContact O-N 3.18Å; D547-M550 PolarHBondContact O-N 2.88Å; M550-S553 PolarHBondContact O-N 2.94Å; M550-S553 PolarHBondContact O-OG 2.98Å; M550-K633 HydrophobicContact CE-CD 3.83Å; M550-K633 HydrophobicContact SD-CD 4.17Å; M550-L699 HydrophobicContact CE-CD2 3.6Å; M550-L699 HydrophobicContact CG-CD2 4.14Å; M550-L699 HydrophobicContact SD-CD2 3.96Å |
| 551 | F | 90.7 | Very high | 83.4 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 178.7 | -173.2 | -93.8 | 0 | 0 | 0 | 112 | A529 H532 L534 L541 D547 S553 T554 W556 F558 V576 | A529-F551 HydrophobicContact CB-CE2 4.44Å; H532-F551 AromaticContact CD2-CD2 3.6Å; H532-F551 AromaticContact NE2-CD2 3.34Å; H532-F551 VanDerWaalsContact NE2-CD2 3.34Å; H532-F551 WeakPolarHBondContact NE2-CD2 3.42Å; H532-F551 AromaticContact NE2-CE2 3.79Å; L534-F551 HydrophobicContact CD1-CB 3.52Å; L534-F551 HydrophobicContact CD1-CD1 4.45Å; L534-F551 HydrophobicContact CD1-CG 3.93Å; L541-F551 HydrophobicContact CD2-CD1 3.56Å; L541-F551 HydrophobicContact CD2-CE1 3.98Å; L541-F551 HydrophobicContact CD2-CG 4.36Å; D547-F551 WeakPolarHBondContact O-CB 3.49Å; D547-F551 PolarHBondContact O-N 3.11Å; F551-S553 PolarHBondContact O-N 2.93Å; F551-T554 WeakPolarHBondContact O-CB 3.48Å; F551-T554 PolarHBondContact O-N 3.05Å; F551-T554 PolarHBondContact O-OG1 3.21Å; F551-W556 VanDerWaalsContact CE1-O 3.3Å; F551-W556 WeakPolarHBondContact CE1-O 3.39Å; F551-W556 HydrophobicContact CE2-CB 4.17Å; F551-W556 HydrophobicContact CZ-CB 3.92Å; F551-W556 WeakPolarHBondContact CZ-O 3.41Å; F551-F558 HydrophobicContact CE1-CB 3.88Å; F551-F558 HydrophobicContact CE2-CB 4.44Å; F551-F558 HydrophobicContact CZ-CB 3.66Å; F551-V576 HydrophobicContact CE2-CB 4.4Å; F551-V576 HydrophobicContact CE2-CG1 3.96Å; F551-V576 HydrophobicContact CZ-CG1 4.42Å |
| 552 | Q | 89 | Confident | 81.9 | Confident | 106 Ų | 106 | 41.1 Ų | 41.1 | 50% | 0.495 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.8 | -34.3 | 177 | -76.1 | 173.3 | 1.2 | 0 | 0 | 112.7 | L548 T554 K555 | L548-Q552 HydrophobicContact CD1-CG 4.44Å; L548-Q552 VanDerWaalsContact O-CB 3.24Å; L548-Q552 WeakPolarHBondContact O-CB 3.35Å; L548-Q552 WeakPolarHBondContact O-CG 3.45Å; L548-Q552 PolarHBondContact O-N 3.23Å; Q552-T554 VanDerWaalsContact C-N 3.29Å; Q552-T554 PolarHBondContact O-N 3.4Å; Q552-K555 PolarHBondContact O-N 3.22Å |
| 553 | S | 87.6 | Confident | 80.5 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -27.2 | 178 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | S517 K549 M550 F551 K555 | S517-S553 PolarHBondContact N-O 3.26Å; K549-S553 WeakPolarHBondContact O-CB 3.37Å; K549-S553 PolarHBondContact O-N 3.36Å; M550-S553 PolarHBondContact O-N 2.94Å; M550-S553 PolarHBondContact O-OG 2.98Å; F551-S553 PolarHBondContact O-N 2.93Å; S553-K555 VanDerWaalsContact C-N 3.32Å |
| 554 | T | 88.9 | Confident | 79 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.9 | -25.1 | 174.8 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | M525 L528 A529 F551 Q552 W556 | M525-T554 HydrophobicContact CE-CG2 4.36Å; M525-T554 HydrophobicContact SD-CG2 4.35Å; L528-T554 HydrophobicContact CB-CG2 3.66Å; A529-T554 HydrophobicContact CB-CG2 4.47Å; F551-T554 WeakPolarHBondContact O-CB 3.48Å; F551-T554 PolarHBondContact O-N 3.05Å; F551-T554 PolarHBondContact O-OG1 3.21Å; Q552-T554 VanDerWaalsContact C-N 3.29Å; Q552-T554 PolarHBondContact O-N 3.4Å; T554-W556 PolarHBondContact O-N 3.16Å; T554-W556 WeakPolarHBondContact OG1-CB 3.26Å; T554-W556 PolarHBondContact OG1-N 2.86Å |
| 555 | K | 87.3 | Confident | 77.5 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 20.7 | -172.2 | -51.8 | 170.7 | -169 | 158.2 | 0 | 114 | E515 S517 Q552 S553 P579 | E515-K555 IonicContact OE2-NZ 2.74Å; E515-K555 PolarHBondContact OE2-NZ 2.33Å; S517-K555 VanDerWaalsContact OG-CE 3.26Å; S517-K555 WeakPolarHBondContact OG-CE 3.45Å; S517-K555 PolarHBondContact OG-NZ 2.8Å; Q552-K555 PolarHBondContact O-N 3.22Å; S553-K555 VanDerWaalsContact C-N 3.32Å; K555-P579 WeakPolarHBondContact O-CB 3.26Å; K555-P579 WeakPolarHBondContact O-CG 3.44Å |
| 556 | W | 89.1 | Confident | 76.4 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | trans | -74.1 | 163.4 | 173.4 | -78.6 | 40.2 | 0 | 0 | 0 | 113 | A529 F551 T554 V576 R577 P578 Y599 V601 | A529-W556 HydrophobicContact CB-CD2 3.77Å; A529-W556 HydrophobicContact CB-CE3 3.64Å; A529-W556 HydrophobicContact CB-CG 4.18Å; A529-W556 HydrophobicContact CB-CZ3 4.13Å; F551-W556 VanDerWaalsContact CE1-O 3.3Å; F551-W556 WeakPolarHBondContact CE1-O 3.39Å; F551-W556 HydrophobicContact CE2-CB 4.17Å; F551-W556 HydrophobicContact CZ-CB 3.92Å; F551-W556 WeakPolarHBondContact CZ-O 3.41Å; T554-W556 PolarHBondContact O-N 3.16Å; T554-W556 WeakPolarHBondContact OG1-CB 3.26Å; T554-W556 PolarHBondContact OG1-N 2.86Å; W556-V576 HydrophobicContact CE3-CB 4.19Å; W556-V576 HydrophobicContact CE3-CG2 4.02Å; W556-V576 HydrophobicContact CZ3-CG2 4.09Å; W556-R577 WeakPolarHBondContact CB-O 3.46Å; W556-P578 HydrophobicContact CD2-CB 4.3Å; W556-P578 HydrophobicContact CZ2-CB 4.09Å; W556-Y599 HydrophobicContact CH2-CD1 4.3Å; W556-Y599 HydrophobicContact CH2-CE1 4.06Å; W556-V601 HydrophobicContact CZ3-CG2 4.3Å | ||
| 557 | E | 86.7 | Confident | 75.1 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.5 | 176.9 | -61 | 172.1 | -150.8 | 0 | 0 | 109.8 | V576 R577 S580 | E557-V576 WeakPolarHBondContact O-CA 3.31Å; E557-R577 HydrophobicContact CB-CG 3.89Å; E557-R577 PolarHBondContact N-O 3.33Å; E557-R577 PolarHBondContact O-N 2.66Å; E557-R577 IonicContact OE2-CZ 3.23Å; E557-R577 VanDerWaalsContact OE2-CZ 3.23Å; E557-R577 IonicContact OE2-NE 3.2Å; E557-R577 PolarHBondContact OE2-NE 3.03Å; E557-R577 IonicContact OE2-NH2 2.73Å; E557-R577 PolarHBondContact OE2-NH2 3.4Å; E557-S580 PolarHBondContact OE1-N 2.66Å; E557-S580 PolarHBondContact OE1-OG 3.38Å |
| 558 | F | 86.2 | Confident | 73.6 | Confident | 25 Ų | 25 | 58 Ų | 58 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.7 | -179.5 | 178.3 | -81.6 | 0 | 0 | 0 | 110.5 | H532 L534 L536 L541 F551 E560 T574 V576 | H532-F558 AromaticContact CE1-CD2 3.96Å; H532-F558 AromaticContact CE1-CE2 3.65Å; L534-F558 HydrophobicContact CB-CE2 4.15Å; L534-F558 HydrophobicContact CB-CZ 4.47Å; L534-F558 WeakPolarHBondContact O-CZ 3.24Å; L536-F558 HydrophobicContact CB-CD1 4.37Å; L536-F558 HydrophobicContact CB-CE1 4Å; L541-F558 HydrophobicContact CD1-CB 3.84Å; L541-F558 HydrophobicContact CD1-CD1 3.29Å; L541-F558 HydrophobicContact CD1-CD2 4.01Å; L541-F558 HydrophobicContact CD1-CE1 3.7Å; L541-F558 HydrophobicContact CD1-CE2 4.35Å; L541-F558 HydrophobicContact CD1-CG 3.47Å; L541-F558 VanDerWaalsContact CD1-CG 3.47Å; L541-F558 HydrophobicContact CD1-CZ 4.22Å; F551-F558 HydrophobicContact CE1-CB 3.88Å; F551-F558 HydrophobicContact CE2-CB 4.44Å; F551-F558 HydrophobicContact CZ-CB 3.66Å; F558-E560 HydrophobicContact CE1-CG 3.63Å; F558-E560 HydrophobicContact CZ-CG 3.98Å; F558-T574 HydrophobicContact CD2-CG2 4.13Å; F558-T574 HydrophobicContact CE1-CG2 4.1Å; F558-T574 HydrophobicContact CE2-CG2 3.39Å; F558-T574 HydrophobicContact CZ-CG2 3.37Å; F558-V576 HydrophobicContact CD2-CG1 3.87Å |
| 559 | I | 82 | Confident | 72 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 129.5 | -173.8 | -57 | 178.1 | 0 | 0 | 0 | 109.7 | E561 T574 I575 | I559-E561 HydrophobicContact CG2-CB 4.35Å; I559-E561 HydrophobicContact CG2-CG 3.67Å; I559-T574 WeakPolarHBondContact O-CA 3.49Å; I559-I575 PolarHBondContact N-O 2.88Å; I559-I575 PolarHBondContact O-N 3.11Å |
| 560 | E | 74.1 | Confident | 70.9 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | trans | -115.6 | 100.6 | 163.8 | -70.8 | -175.2 | 122.5 | 0 | 0 | 107.7 | R357 L536 F558 T574 | R357-E560 IonicContact CZ-OE1 3.48Å; R357-E560 IonicContact CZ-OE2 3.29Å; R357-E560 IonicContact NH1-OE1 3.18Å; R357-E560 PolarHBondContact NH1-OE1 3.41Å; R357-E560 IonicContact NH1-OE2 3.4Å; R357-E560 VanDerWaalsContact NH2-CD 3.34Å; R357-E560 IonicContact NH2-OE1 2.91Å; R357-E560 PolarHBondContact NH2-OE1 3.44Å; R357-E560 IonicContact NH2-OE2 2.69Å; R357-E560 PolarHBondContact NH2-OE2 3.01Å; L536-E560 PolarHBondContact N-OE2 2.72Å; F558-E560 HydrophobicContact CE1-CG 3.63Å; F558-E560 HydrophobicContact CZ-CG 3.98Å; E560-T574 HydrophobicContact CG-CG2 3.91Å; E560-T574 PolarHBondContact OE1-OG1 3.36Å | ||
| 561 | E | 61.6 | Low | 69.5 | Low | 84 Ų | 84 | 64 Ų | 64 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | trans | -97.2 | 146.3 | 177.1 | -90.3 | 170.1 | -157.9 | 0 | 0 | 110.6 | I559 | I559-E561 HydrophobicContact CG2-CB 4.35Å; I559-E561 HydrophobicContact CG2-CG 3.67Å | ||
| 562 | A | 50.8 | Low | 68.1 | Low | 78 Ų | 78 | 63.9 Ų | 63.9 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | trans | -65.7 | 147.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D564 H565 | A562-D564 PolarHBondContact O-N 3.21Å; A562-H565 PolarHBondContact O-N 2.97Å | ||
| 563 | A | 51 | Low | 67 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -56.6 | -27 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H565 C566 | A563-H565 PolarHBondContact O-N 3.44Å; A563-C566 PolarHBondContact O-N 2.92Å |
| 564 | D | 45.7 | Very low | 66.6 | Low | 150 Ų | 150 | 60.9 Ų | 60.9 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -66 | -7.8 | -174.8 | -55.8 | -31.2 | 0 | 0 | 0 | 115 | A562 | A562-D564 PolarHBondContact O-N 3.21Š|
| 565 | H | 47.2 | Very low | 66.4 | Low | 154 Ų | 154 | 61.1 Ų | 61.1 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -121.6 | -1.8 | 179.2 | -65.9 | -11.1 | 0 | 0 | 0 | 114.5 | A562 A563 K567 | A562-H565 PolarHBondContact O-N 2.97Å; A563-H565 PolarHBondContact O-N 3.44Å; H565-K567 PolarHBondContact O-N 3.18Å |
| 566 | C | 52.7 | Low | 66.4 | Low | 22 Ų | 22 | 56.1 Ų | 56.1 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -65.5 | 125.9 | 179.9 | -80.4 | 0 | 0 | 0 | 0 | 112.4 | A563 F568 V572 | A563-C566 PolarHBondContact O-N 2.92Å; C566-F568 PolarHBondContact O-N 3.08Å; C566-V572 PolarHBondContact SG-O 2.7Å | ||
| 567 | K | 55.9 | Low | 66.3 | Low | 123 Ų | 123 | 58.9 Ų | 58.9 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -69.4 | -7.8 | 174 | -56.2 | 174.7 | -160.2 | 154.5 | 0 | 114.1 | H565 E600 L623 | H565-K567 PolarHBondContact O-N 3.18Å; K567-E600 WeakPolarHBondContact CD-OE2 3.49Å; K567-E600 IonicContact NZ-OE1 2.85Å; K567-E600 PolarHBondContact NZ-OE1 2.85Å; K567-E600 IonicContact NZ-OE2 2.75Å; K567-E600 PolarHBondContact NZ-OE2 3Å; K567-L623 HydrophobicContact CB-CD1 4.43Å; K567-L623 HydrophobicContact CB-CD2 4.4Å; K567-L623 HydrophobicContact CD-CD1 4.31Å |
| 568 | F | 55.4 | Low | 66.2 | Low | 14 Ų | 14 | 57.5 Ų | 57.5 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -84.5 | 139.3 | 177.4 | -68.6 | -92.7 | 0 | 0 | 0 | 110.3 | C566 M570 V572 I575 R621 L623 | C566-F568 PolarHBondContact O-N 3.08Å; F568-M570 HydrophobicContact CB-CG 4.19Å; F568-M570 PolarHBondContact O-N 3.32Å; F568-V572 HydrophobicContact CB-CG2 3.88Å; F568-V572 HydrophobicContact CD1-CG2 4.15Å; F568-V572 HydrophobicContact CD2-CB 4.22Å; F568-V572 HydrophobicContact CD2-CG1 4.44Å; F568-V572 HydrophobicContact CD2-CG2 4.03Å; F568-V572 HydrophobicContact CG-CB 4.42Å; F568-V572 HydrophobicContact CG-CG2 3.77Å; F568-I575 HydrophobicContact CD2-CD1 4.03Å; F568-I575 HydrophobicContact CD2-CG1 4.45Å; F568-I575 HydrophobicContact CE2-CD1 3.86Å; F568-I575 HydrophobicContact CE2-CG1 3.99Å; F568-I575 HydrophobicContact CE2-CG2 4.49Å; F568-R621 HydrophobicContact CE1-CG 4.45Å; F568-R621 WeakPolarHBondContact CE1-O 3.36Å; F568-L623 HydrophobicContact CD1-CD2 3.65Å; F568-L623 HydrophobicContact CD1-CG 4.48Å; F568-L623 HydrophobicContact CD2-CD2 4Å; F568-L623 HydrophobicContact CE1-CD2 3.51Å; F568-L623 HydrophobicContact CE1-CG 3.86Å; F568-L623 HydrophobicContact CE2-CD2 3.86Å; F568-L623 HydrophobicContact CE2-CG 4.01Å; F568-L623 HydrophobicContact CG-CD2 3.89Å; F568-L623 HydrophobicContact CZ-CD2 3.61Å; F568-L623 HydrophobicContact CZ-CG 3.59Å |
| 569 | E | 53.1 | Low | 65.7 | Low | 164 Ų | 164 | 58.4 Ų | 58.4 | 77% | 0.766 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -64.5 | 10.3 | 175 | -51.3 | 159.1 | 114.3 | 0 | 0 | 114.3 | R621 | E569-R621 IonicContact OE2-CZ 3.27Å; E569-R621 IonicContact OE2-NH1 3.82Å; E569-R621 PolarHBondContact OE2-NH1 3.04Å; E569-R621 IonicContact OE2-NH2 2.64Å; E569-R621 PolarHBondContact OE2-NH2 3.4Å; E569-R621 VanDerWaalsContact OE2-NH2 3.14Å |
| 570 | M | 64.2 | Low | 64.6 | Low | 29 Ų | 29 | 60.9 Ų | 60.9 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -154.1 | 145.3 | -167.6 | 50.8 | -173.1 | 55.4 | 0 | 0 | 109.1 | F568 V572 L604 F628 Y678 | F568-M570 HydrophobicContact CB-CG 4.19Å; F568-M570 PolarHBondContact O-N 3.32Å; M570-V572 HydrophobicContact CG-CG2 4.34Å; M570-V572 PolarHBondContact O-N 2.89Å; M570-L604 HydrophobicContact CG-CD2 4.29Å; M570-L604 HydrophobicContact SD-CD2 3.82Å; M570-F628 HydrophobicContact CE-CZ 4.21Å; M570-F628 HydrophobicContact SD-CE1 4.03Å; M570-F628 HydrophobicContact SD-CZ 4.24Å; M570-Y678 HydrophobicContact CB-CD2 4.22Å; M570-Y678 HydrophobicContact CB-CE1 4.37Å; M570-Y678 HydrophobicContact CB-CE2 3.83Å; M570-Y678 HydrophobicContact CE-CD2 3.8Å; M570-Y678 HydrophobicContact CE-CE2 4.48Å; M570-Y678 HydrophobicContact CE-CG 3.96Å; M570-Y678 HydrophobicContact CG-CE2 4.3Å; M570-Y678 HydrophobicContact SD-CD2 3.68Å; M570-Y678 HydrophobicContact SD-CE2 3.97Å; M570-Y678 HydrophobicContact SD-CG 4.44Å |
| 571 | A | 60.2 | Low | 63.5 | Low | 53 Ų | 53 | 67.5 Ų | 67.5 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | trans | -65.3 | 102 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 572 | V | 61.2 | Low | 62.6 | Low | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | trans | -104.6 | 110.2 | 175.5 | 171 | 0 | 0 | 0 | 0 | 107.7 | C566 F568 M570 T574 I575 G602 L604 | C566-V572 PolarHBondContact SG-O 2.7Å; F568-V572 HydrophobicContact CB-CG2 3.88Å; F568-V572 HydrophobicContact CD1-CG2 4.15Å; F568-V572 HydrophobicContact CD2-CB 4.22Å; F568-V572 HydrophobicContact CD2-CG1 4.44Å; F568-V572 HydrophobicContact CD2-CG2 4.03Å; F568-V572 HydrophobicContact CG-CB 4.42Å; F568-V572 HydrophobicContact CG-CG2 3.77Å; M570-V572 HydrophobicContact CG-CG2 4.34Å; M570-V572 PolarHBondContact O-N 2.89Å; V572-T574 VanDerWaalsContact C-N 3.29Å; V572-T574 WeakPolarHBondContact CG1-O 3.42Å; V572-T574 PolarHBondContact O-N 3.47Å; V572-I575 HydrophobicContact CG1-CG1 3.78Å; V572-G602 VanDerWaalsContact CG1-CA 3.47Å; V572-L604 HydrophobicContact CG2-CD2 3.75Å; V572-L604 HydrophobicContact CG2-CG 4.35Å | ||
| 573 | P | 66.7 | Low | 62 | Low | 59 Ų | 59 | 71 Ų | 71 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -73.9 | -17.1 | -176.2 | 29.3 | -36.9 | 0 | 0 | 0 | 114.2 | I603 | P573-I603 WeakPolarHBondContact CD-O 3.48Š|
| 574 | T | 78.9 | Confident | 61.3 | Low | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.025 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 129.8 | -173.8 | -45 | 0 | 0 | 0 | 0 | 110.4 | F558 I559 E560 V572 I603 | F558-T574 HydrophobicContact CD2-CG2 4.13Å; F558-T574 HydrophobicContact CE1-CG2 4.1Å; F558-T574 HydrophobicContact CE2-CG2 3.39Å; F558-T574 HydrophobicContact CZ-CG2 3.37Å; I559-T574 WeakPolarHBondContact O-CA 3.49Å; E560-T574 HydrophobicContact CG-CG2 3.91Å; E560-T574 PolarHBondContact OE1-OG1 3.36Å; V572-T574 VanDerWaalsContact C-N 3.29Å; V572-T574 WeakPolarHBondContact CG1-O 3.42Å; V572-T574 PolarHBondContact O-N 3.47Å; T574-I603 HydrophobicContact CG2-CD1 4.16Å; T574-I603 PolarHBondContact O-N 3.46Å |
| 575 | I | 84.2 | Confident | 60.6 | Low | 9 Ų | 9 | 77.6 Ų | 77.6 | 5% | 0.046 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139 | -179.1 | -59.7 | 172.4 | 0 | 0 | 0 | 108.7 | I559 F568 V572 E600 | I559-I575 PolarHBondContact N-O 2.88Å; I559-I575 PolarHBondContact O-N 3.11Å; F568-I575 HydrophobicContact CD2-CD1 4.03Å; F568-I575 HydrophobicContact CD2-CG1 4.45Å; F568-I575 HydrophobicContact CE2-CD1 3.86Å; F568-I575 HydrophobicContact CE2-CG1 3.99Å; F568-I575 HydrophobicContact CE2-CG2 4.49Å; V572-I575 HydrophobicContact CG1-CG1 3.78Å; I575-E600 HydrophobicContact CG2-CB 3.91Å |
| 576 | V | 87.8 | Confident | 59.9 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.1 | 171.1 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | A529 T530 F551 W556 E557 F558 V601 I603 | A529-V576 HydrophobicContact CB-CG2 4.4Å; T530-V576 HydrophobicContact CG2-CG2 3.58Å; F551-V576 HydrophobicContact CE2-CB 4.4Å; F551-V576 HydrophobicContact CE2-CG1 3.96Å; F551-V576 HydrophobicContact CZ-CG1 4.42Å; W556-V576 HydrophobicContact CE3-CB 4.19Å; W556-V576 HydrophobicContact CE3-CG2 4.02Å; W556-V576 HydrophobicContact CZ3-CG2 4.09Å; E557-V576 WeakPolarHBondContact O-CA 3.31Å; F558-V576 HydrophobicContact CD2-CG1 3.87Å; V576-V601 HydrophobicContact CG2-CB 4.12Å; V576-V601 PolarHBondContact N-O 3.5Å; V576-V601 PolarHBondContact O-N 2.94Å; V576-I603 HydrophobicContact CG1-CD1 4.47Å |
| 577 | R | 86.4 | Confident | 58.9 | Low | 73 Ų | 73 | 88.1 Ų | 88.1 | 28% | 0.275 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 151 | -178.7 | 69.8 | -179.7 | -174.9 | -152.7 | -2.6 | 112.3 | W556 E557 E600 | W556-R577 WeakPolarHBondContact CB-O 3.46Å; E557-R577 HydrophobicContact CB-CG 3.89Å; E557-R577 PolarHBondContact N-O 3.33Å; E557-R577 PolarHBondContact O-N 2.66Å; E557-R577 IonicContact OE2-CZ 3.23Å; E557-R577 VanDerWaalsContact OE2-CZ 3.23Å; E557-R577 IonicContact OE2-NE 3.2Å; E557-R577 PolarHBondContact OE2-NE 3.03Å; E557-R577 IonicContact OE2-NH2 2.73Å; E557-R577 PolarHBondContact OE2-NH2 3.4Å; R577-E600 HydrophobicContact CB-CG 4.05Å |
| 578 | P | 84.2 | Confident | 57.7 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | trans | -64.7 | 154.9 | 175.1 | 28.4 | -34.9 | 0 | 0 | 0 | 111.3 | W556 S580 Y599 | W556-P578 HydrophobicContact CD2-CB 4.3Å; W556-P578 HydrophobicContact CZ2-CB 4.09Å; P578-S580 PolarHBondContact O-N 3.38Å; P578-Y599 WeakPolarHBondContact CD-O 3.45Å; P578-Y599 HydrophobicContact CG-CD1 4.48Å | ||
| 579 | P | 76.1 | Confident | 56.5 | Low | 45 Ų | 45 | 93.4 Ų | 93.4 | 29% | 0.292 | 50% | 0.501 | S | S | . | . | trans | -64.1 | 136.4 | -176 | 24.8 | -33 | 0 | 0 | 0 | 112.2 | K555 K581 | K555-P579 WeakPolarHBondContact O-CB 3.26Å; K555-P579 WeakPolarHBondContact O-CG 3.44Å; P579-K581 PolarHBondContact O-N 3.42Å | ||
| 580 | S | 59.9 | Low | 55.6 | Low | 80 Ų | 80 | 94.5 Ų | 94.5 | 56% | 0.559 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 35 | -167.7 | -52.3 | 0 | 0 | 0 | 0 | 116.6 | E557 P578 | E557-S580 PolarHBondContact OE1-N 2.66Å; E557-S580 PolarHBondContact OE1-OG 3.38Å; P578-S580 PolarHBondContact O-N 3.38Å |
| 581 | K | 50.7 | Low | 54.2 | Low | 178 Ų | 178 | 102.3 Ų | 102.3 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -6.7 | -171.1 | -70 | 178 | -179.4 | 168.9 | 0 | 115.6 | P579 S583 | P579-K581 PolarHBondContact O-N 3.42Å; K581-S583 PolarHBondContact O-N 2.87Å; K581-S583 VanDerWaalsContact O-N 3.16Å |
| 582 | T | 43.2 | Very low | 53.1 | Low | 132 Ų | 132 | 109.5 Ų | 109.5 | 81% | 0.81 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 17.1 | -175.5 | -38 | 0 | 0 | 0 | 0 | 113.8 | ||
| 583 | S | 37.6 | Very low | 51.9 | Low | 103 Ų | 103 | 114.7 Ų | 114.7 | 72% | 0.72 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 8.4 | -178.4 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | K581 | K581-S583 PolarHBondContact O-N 2.87Å; K581-S583 VanDerWaalsContact O-N 3.16Å |
| 584 | L | 35.6 | Very low | 50.9 | Low | 158 Ų | 158 | 120.2 Ų | 120.2 | 83% | 0.827 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -117.7 | 17 | -173.7 | -98.9 | 167.6 | 0 | 0 | 0 | 115.5 | ||
| 585 | K | 31.9 | Very low | 49.5 | Very low | 195 Ų | 195 | 126.2 Ų | 126.2 | 85% | 0.848 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -136.8 | 135.5 | 164.9 | -72.2 | -175 | 178.5 | 176.8 | 0 | 110.3 | ||
| 586 | E | 32 | Very low | 48 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 56.4 | 70.1 | 168.1 | -61.6 | -173.7 | -174.9 | 0 | 0 | 117.5 | ||
| 587 | K | 31.8 | Very low | 46.7 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -152.7 | 95.9 | 134.1 | -112.4 | 168.4 | -172.2 | 179.8 | 0 | 111.2 | ||||
| 588 | T | 30.6 | Very low | 45.8 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | trans | -82.5 | 118.9 | 175 | -45.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 589 | S | 31.3 | Very low | 45.6 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 57.8 | 63.1 | 160.9 | -58.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 590 | E | 34.2 | Very low | 46 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -139.1 | 165.4 | 149.3 | -124.7 | 163.5 | -138.2 | 0 | 0 | 110.9 | ||||
| 591 | K | 34.9 | Very low | 47.3 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 84% | 0.839 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.7 | -161.5 | -61.7 | 174.8 | -175.8 | 173.6 | 0 | 112.2 | N593 | K591-N593 PolarHBondContact O-N 3.4Š|
| 592 | F | 35.1 | Very low | 49 | Very low | 205 Ų | 205 | 125 Ų | 125 | 90% | 0.899 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.7 | 158.2 | -83.5 | -98.8 | 0 | 0 | 0 | 108.9 | ||
| 593 | N | 36.1 | Very low | 51.1 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 145.6 | 154 | -69.7 | -9.2 | 0 | 0 | 0 | 107.3 | K591 D595 | K591-N593 PolarHBondContact O-N 3.4Å; N593-D595 PolarHBondContact O-N 3.36Å |
| 594 | D | 46 | Very low | 53.3 | Low | 175 Ų | 175 | 114.8 Ų | 114.8 | 94% | 0.936 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 7.3 | 178.4 | -100.4 | -25.4 | 0 | 0 | 0 | 113.3 | ||
| 595 | D | 49.1 | Very low | 55.6 | Low | 130 Ų | 130 | 110.4 Ų | 110.4 | 70% | 0.695 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -4.1 | -167.6 | -61.9 | -62.6 | 0 | 0 | 0 | 115.3 | N593 I597 | N593-D595 PolarHBondContact O-N 3.36Å; D595-I597 PolarHBondContact O-N 3.25Å |
| 596 | D | 52.9 | Low | 58.1 | Low | 157 Ų | 157 | 104.2 Ų | 104.2 | 84% | 0.84 | 52% | 0.521 | S | S | * | . | trans | -74.1 | 86.7 | 179.9 | -91.1 | -17.6 | 0 | 0 | 0 | 111 | ||||
| 597 | I | 61.2 | Low | 60.7 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | trans | -52.3 | 124.2 | 179.4 | -56 | 175.2 | 0 | 0 | 0 | 110.1 | D595 L623 | D595-I597 PolarHBondContact O-N 3.25Å; I597-L623 HydrophobicContact CG2-CB 3.71Å; I597-L623 HydrophobicContact CG2-CD1 4.24Å | ||
| 598 | P | 67.6 | Low | 63 | Low | 59 Ų | 59 | 88.4 Ų | 88.4 | 38% | 0.383 | 46% | 0.455 | S | S | . | . | trans | -64.3 | 142.7 | -175.8 | 26.6 | -35 | 0 | 0 | 0 | 111.7 | E600 L623 | P598-E600 VanDerWaalsContact C-N 3.3Å; P598-E600 HydrophobicContact CB-CG 4.16Å; P598-E600 HydrophobicContact CG-CG 4.39Å; P598-E600 PolarHBondContact O-N 3.41Å; P598-L623 HydrophobicContact CG-CD1 4.21Å | ||
| 599 | Y | 79.1 | Confident | 65.5 | Low | 53 Ų | 53 | 86.5 Ų | 86.5 | 21% | 0.208 | 44% | 0.435 | C | S | . | . | trans | -78.4 | 78.1 | -177.7 | -164.4 | -115.6 | 0 | 0 | 0 | 111.8 | N521 E526 W556 P578 A622 N624 | N521-Y599 HydrophobicContact CB-CE1 4.41Å; E526-Y599 PolarHBondContact OE1-OH 2.83Å; W556-Y599 HydrophobicContact CH2-CD1 4.3Å; W556-Y599 HydrophobicContact CH2-CE1 4.06Å; P578-Y599 WeakPolarHBondContact CD-O 3.45Å; P578-Y599 HydrophobicContact CG-CD1 4.48Å; Y599-A622 HydrophobicContact CE2-CB 4.24Å; Y599-N624 WeakPolarHBondContact CD2-ND2 3.44Å; Y599-N624 WeakPolarHBondContact CE2-OD1 3.42Å | ||
| 600 | E | 84.9 | Confident | 67.6 | Low | 14 Ų | 14 | 82 Ų | 82 | 7% | 0.065 | 40% | 0.404 | C | S | . | . | trans | -112.5 | 136 | 179 | -54.1 | 176.6 | 157.5 | 0 | 0 | 109.2 | K567 I575 R577 P598 L623 | K567-E600 WeakPolarHBondContact CD-OE2 3.49Å; K567-E600 IonicContact NZ-OE1 2.85Å; K567-E600 PolarHBondContact NZ-OE1 2.85Å; K567-E600 IonicContact NZ-OE2 2.75Å; K567-E600 PolarHBondContact NZ-OE2 3Å; I575-E600 HydrophobicContact CG2-CB 3.91Å; R577-E600 HydrophobicContact CB-CG 4.05Å; P598-E600 VanDerWaalsContact C-N 3.3Å; P598-E600 HydrophobicContact CB-CG 4.16Å; P598-E600 HydrophobicContact CG-CG 4.39Å; P598-E600 PolarHBondContact O-N 3.41Å; E600-L623 HydrophobicContact CB-CD1 3.85Å; E600-L623 HydrophobicContact CB-CG 4.3Å; E600-L623 HydrophobicContact CG-CD1 4.24Å; E600-L623 PolarHBondContact O-N 3.13Å; E600-L623 WeakPolarHBondContact OE2-CD1 3.46Å | ||
| 601 | V | 87.3 | Confident | 69.1 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.2 | -177.9 | -172 | 0 | 0 | 0 | 0 | 109.7 | T530 W556 V576 T620 A622 | T530-V601 HydrophobicContact CG2-CB 4.2Å; T530-V601 HydrophobicContact CG2-CG1 3.74Å; W556-V601 HydrophobicContact CZ3-CG2 4.3Å; V576-V601 HydrophobicContact CG2-CB 4.12Å; V576-V601 PolarHBondContact N-O 3.5Å; V576-V601 PolarHBondContact O-N 2.94Å; V601-T620 HydrophobicContact CG1-CG2 4.41Å; V601-A622 HydrophobicContact CG2-CB 4.09Å |
| 602 | G | 87.6 | Confident | 70.7 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V572 T620 R621 | V572-G602 VanDerWaalsContact CG1-CA 3.47Å; G602-T620 CarbonylContact O-C 3.52Å; G602-T620 WeakPolarHBondContact O-CA 3.39Å; G602-T620 VanDerWaalsContact O-CB 3.3Å; G602-T620 WeakPolarHBondContact O-CB 3.44Å; G602-R621 PolarHBondContact N-O 2.73Å; G602-R621 PolarHBondContact O-N 2.89Å |
| 603 | I | 87.1 | Confident | 72.9 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.6 | 172 | -65.3 | 168 | 0 | 0 | 0 | 108.3 | T530 P573 T574 V576 Q606 V618 T620 | T530-I603 HydrophobicContact CG2-CG1 4.32Å; P573-I603 WeakPolarHBondContact CD-O 3.48Å; T574-I603 HydrophobicContact CG2-CD1 4.16Å; T574-I603 PolarHBondContact O-N 3.46Å; V576-I603 HydrophobicContact CG1-CD1 4.47Å; I603-Q606 HydrophobicContact CG2-CG 3.94Å; I603-V618 HydrophobicContact CB-CG1 4.43Å; I603-V618 HydrophobicContact CG1-CG1 4.32Å; I603-V618 HydrophobicContact CG2-CG1 3.56Å; I603-T620 HydrophobicContact CG1-CG2 4.18Å |
| 604 | L | 83.5 | Confident | 75.2 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -40.1 | -172.9 | -68.4 | 146.9 | 0 | 0 | 0 | 112.7 | M570 V572 I619 R621 F628 Y678 | M570-L604 HydrophobicContact CG-CD2 4.29Å; M570-L604 HydrophobicContact SD-CD2 3.82Å; V572-L604 HydrophobicContact CG2-CD2 3.75Å; V572-L604 HydrophobicContact CG2-CG 4.35Å; L604-I619 PolarHBondContact N-O 2.85Å; L604-R621 HydrophobicContact CD1-CB 3.86Å; L604-F628 HydrophobicContact CD1-CD1 3.37Å; L604-F628 HydrophobicContact CD1-CE1 3.44Å; L604-F628 VanDerWaalsContact CD1-CE1 3.44Å; L604-Y678 HydrophobicContact CD2-CD2 4.43Å; L604-Y678 HydrophobicContact CD2-CE2 3.94Å |
| 605 | R | 83.5 | Confident | 77.3 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 25% | 0.249 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 127.3 | -175.9 | -169.1 | 172.2 | 178.3 | -144.4 | -2.9 | 111.2 | V618 I619 V681 L682 V684 | R605-V618 WeakPolarHBondContact O-CA 3.23Å; R605-I619 PolarHBondContact N-O 3.14Å; R605-I619 PolarHBondContact O-N 3.31Å; R605-V681 PolarHBondContact NH1-O 3.46Å; R605-L682 PolarHBondContact NE-O 3.44Å; R605-L682 PolarHBondContact NH1-O 2.88Å; R605-L682 VanDerWaalsContact NH1-O 3.09Å; R605-L682 PolarHBondContact NH2-O 2.93Å; R605-V684 PolarHBondContact NH1-O 2.89Å; R605-V684 PolarHBondContact NH2-O 3.06Å |
| 606 | Q | 84.6 | Confident | 79.4 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.7 | 175.2 | -56.5 | -177.9 | 17.7 | 0 | 0 | 110.3 | H532 S533 I603 P608 V618 | H532-Q606 PolarHBondContact O-NE2 3.4Å; H532-Q606 PolarHBondContact O-OE1 2.99Å; S533-Q606 PolarHBondContact OG-OE1 2.67Å; I603-Q606 HydrophobicContact CG2-CG 3.94Å; Q606-P608 WeakPolarHBondContact O-CD 3.4Å; Q606-V618 HydrophobicContact CB-CG2 4.36Å; Q606-V618 HydrophobicContact CG-CG1 4.18Å; Q606-V618 HydrophobicContact CG-CG2 4.07Å |
| 607 | F | 86.7 | Confident | 81.3 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 95.7 | 160.4 | -62.5 | -79.6 | 0 | 0 | 0 | 107 | M616 S617 I619 R686 V689 | F607-M616 WeakPolarHBondContact O-CA 3.39Å; F607-M616 WeakPolarHBondContact O-CB 3.17Å; F607-S617 WeakPolarHBondContact CA-O 3.27Å; F607-S617 WeakPolarHBondContact CB-O 3.3Å; F607-S617 PolarHBondContact N-O 3.03Å; F607-S617 PolarHBondContact O-N 3.24Å; F607-I619 HydrophobicContact CE2-CD1 4.02Å; F607-I619 HydrophobicContact CE2-CG1 4.32Å; F607-R686 HydrophobicContact CB-CG 4.47Å; F607-R686 HydrophobicContact CD1-CB 3.9Å; F607-R686 HydrophobicContact CD1-CG 3.91Å; F607-R686 HydrophobicContact CE1-CB 3.85Å; F607-R686 HydrophobicContact CE1-CG 4.29Å; F607-R686 HydrophobicContact CG-CG 4.14Å; F607-R686 HydrophobicContact CZ-CB 4.49Å; F607-V689 HydrophobicContact CE2-CG2 3.9Å; F607-V689 HydrophobicContact CZ-CG2 3.95Å |
| 608 | P | 80.1 | Confident | 82.8 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 31% | 0.305 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 162.8 | -171.3 | 24.8 | -34.7 | 0 | 0 | 0 | 112.3 | Q606 S610 R686 | Q606-P608 WeakPolarHBondContact O-CD 3.4Å; P608-S610 PolarHBondContact O-N 3.39Å; P608-R686 PolarHBondContact O-NH1 3.1Å |
| 609 | F | 81.9 | Confident | 84 | Confident | 95 Ų | 95 | 31.6 Ų | 31.6 | 42% | 0.417 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 141.8 | 177.7 | -171.4 | -96.1 | 0 | 0 | 0 | 110.7 | R344 Q614 M616 | R344-F609 PolarHBondContact NH2-O 2.87Å; F609-Q614 VanDerWaalsContact CE2-C 3.45Å; F609-M616 HydrophobicContact CB-CB 4.08Å |
| 610 | S | 75.7 | Confident | 84.5 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.6 | 177 | 157.7 | 0 | 0 | 0 | 0 | 107.1 | P608 S612 L613 Q614 | P608-S610 PolarHBondContact O-N 3.39Å; S610-S612 VanDerWaalsContact C-N 3.31Å; S610-S612 PolarHBondContact O-N 3.28Å; S610-S612 PolarHBondContact OG-OG 3.17Å; S610-L613 CarbonylContact O-C 3.58Å; S610-L613 PolarHBondContact O-N 2.92Å; S610-L613 PolarHBondContact OG-N 3.36Å; S610-Q614 WeakPolarHBondContact O-CA 3.41Å; S610-Q614 PolarHBondContact O-N 3.34Å |
| 611 | S | 65.7 | Low | 84.7 | Confident | 85 Ų | 85 | 29.9 Ų | 29.9 | 59% | 0.594 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -38.2 | -174.3 | -46.5 | 0 | 0 | 0 | 0 | 112.3 | Q614 | S611-Q614 WeakPolarHBondContact O-CG 3.18Š|
| 612 | S | 69.1 | Low | 84.6 | Confident | 69 Ų | 69 | 29.9 Ų | 29.9 | 48% | 0.483 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -27 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | S610 | S610-S612 VanDerWaalsContact C-N 3.31Å; S610-S612 PolarHBondContact O-N 3.28Å; S610-S612 PolarHBondContact OG-OG 3.17Å |
| 613 | L | 81.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 31.1 Ų | 31.1 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.1 | 174.2 | -62.7 | 179 | 0 | 0 | 0 | 113.6 | S610 R615 T638 | S610-L613 CarbonylContact O-C 3.58Å; S610-L613 PolarHBondContact O-N 2.92Å; S610-L613 PolarHBondContact OG-N 3.36Å; L613-R615 WeakPolarHBondContact O-CG 3.23Å; L613-R615 PolarHBondContact O-N 2.82Å; L613-R615 PolarHBondContact O-NH1 3Å; L613-T638 WeakPolarHBondContact O-CG2 3.3Å |
| 614 | Q | 83.4 | Confident | 83.8 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 24.4 | 177 | -58.8 | -171.3 | -11.4 | 0 | 0 | 116.1 | F609 S610 S611 G634 A635 | F609-Q614 VanDerWaalsContact CE2-C 3.45Å; S610-Q614 WeakPolarHBondContact O-CA 3.41Å; S610-Q614 PolarHBondContact O-N 3.34Å; S611-Q614 WeakPolarHBondContact O-CG 3.18Å; Q614-G634 CarbonylContact O-C 3.45Å; Q614-G634 VanDerWaalsContact O-CA 3.29Å; Q614-G634 WeakPolarHBondContact O-CA 3.49Å; Q614-A635 HydrophobicContact CB-CB 3.88Å; Q614-A635 PolarHBondContact O-N 3.33Å |
| 615 | R | 91.6 | Very high | 83.5 | Confident | 33 Ų | 33 | 36 Ų | 36 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.7 | -176 | 73.3 | -165.7 | 172.8 | -103 | 11 | 113.8 | L613 K633 T638 I639 R686 E690 | L613-R615 WeakPolarHBondContact O-CG 3.23Å; L613-R615 PolarHBondContact O-N 2.82Å; L613-R615 PolarHBondContact O-NH1 3Å; R615-K633 CarbonylContact C-O 3.52Å; R615-K633 WeakPolarHBondContact CA-O 3.35Å; R615-K633 WeakPolarHBondContact CB-O 3.23Å; R615-T638 HydrophobicContact CB-CG2 4.45Å; R615-I639 HydrophobicContact CB-CD1 4.28Å; R615-R686 PolarHBondContact O-NH2 3.42Å; R615-E690 IonicContact CZ-OE2 3.26Å; R615-E690 VanDerWaalsContact NE-CD 3.29Å; R615-E690 IonicContact NE-OE1 3.67Å; R615-E690 PolarHBondContact NE-OE1 3.38Å; R615-E690 IonicContact NE-OE2 3.96Å; R615-E690 PolarHBondContact NE-OE2 2.68Å; R615-E690 IonicContact NH2-OE2 3.91Å; R615-E690 PolarHBondContact NH2-OE2 3.2Å |
| 616 | M | 92.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 156 | 164.9 | 73.1 | 175.2 | -80.1 | 0 | 0 | 111.5 | S533 F607 F609 V618 T632 K633 | S533-M616 WeakPolarHBondContact OG-CE 3.29Å; F607-M616 WeakPolarHBondContact O-CA 3.39Å; F607-M616 WeakPolarHBondContact O-CB 3.17Å; F609-M616 HydrophobicContact CB-CB 4.08Å; M616-V618 HydrophobicContact CE-CG2 3.86Å; M616-T632 WeakPolarHBondContact O-CA 3.38Å; M616-T632 WeakPolarHBondContact O-CG2 3.36Å; M616-K633 HydrophobicContact CG-CD 4.28Å; M616-K633 HydrophobicContact CG-CG 3.7Å; M616-K633 PolarHBondContact N-O 3.43Å; M616-K633 PolarHBondContact O-N 3.24Å; M616-K633 VanDerWaalsContact O-O 3.11Å; M616-K633 WeakPolarHBondContact SD-CE 3.45Å |
| 617 | S | 93.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145 | -178.6 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | F607 Y631 T632 E690 | F607-S617 WeakPolarHBondContact CA-O 3.27Å; F607-S617 WeakPolarHBondContact CB-O 3.3Å; F607-S617 PolarHBondContact N-O 3.03Å; F607-S617 PolarHBondContact O-N 3.24Å; S617-Y631 CarbonylContact C-O 3.59Å; S617-Y631 VanDerWaalsContact CA-O 3.28Å; S617-Y631 WeakPolarHBondContact CA-O 3.41Å; S617-T632 WeakPolarHBondContact CB-OG1 3.47Å; S617-T632 WeakPolarHBondContact OG-CG2 3.32Å; S617-T632 PolarHBondContact OG-OG1 2.95Å; S617-E690 WeakPolarHBondContact OG-CG 3.39Å; S617-E690 PolarHBondContact OG-OE1 3.03Å |
| 618 | V | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.9 | -179.8 | -178 | 0 | 0 | 0 | 0 | 109.5 | I603 R605 Q606 M616 T620 I630 Y631 | I603-V618 HydrophobicContact CB-CG1 4.43Å; I603-V618 HydrophobicContact CG1-CG1 4.32Å; I603-V618 HydrophobicContact CG2-CG1 3.56Å; R605-V618 WeakPolarHBondContact O-CA 3.23Å; Q606-V618 HydrophobicContact CB-CG2 4.36Å; Q606-V618 HydrophobicContact CG-CG1 4.18Å; Q606-V618 HydrophobicContact CG-CG2 4.07Å; M616-V618 HydrophobicContact CE-CG2 3.86Å; V618-T620 HydrophobicContact CG1-CG2 3.95Å; V618-I630 WeakPolarHBondContact O-CA 3.46Å; V618-Y631 PolarHBondContact N-O 3.06Å; V618-Y631 PolarHBondContact O-N 3.29Å |
| 619 | I | 91.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.7 | 173.3 | -51 | -179.8 | 0 | 0 | 0 | 109.2 | L604 R605 F607 F628 N629 I630 V681 V689 | L604-I619 PolarHBondContact N-O 2.85Å; R605-I619 PolarHBondContact N-O 3.14Å; R605-I619 PolarHBondContact O-N 3.31Å; F607-I619 HydrophobicContact CE2-CD1 4.02Å; F607-I619 HydrophobicContact CE2-CG1 4.32Å; I619-F628 HydrophobicContact CG2-CB 4.17Å; I619-N629 CarbonylContact C-O 3.36Å; I619-N629 WeakPolarHBondContact CA-O 3.25Å; I619-I630 HydrophobicContact CG1-CB 4.4Å; I619-I630 HydrophobicContact CG1-CD1 4.34Å; I619-I630 HydrophobicContact CG1-CG1 4.38Å; I619-V681 HydrophobicContact CB-CG1 4.4Å; I619-V681 HydrophobicContact CD1-CG1 3.84Å; I619-V681 HydrophobicContact CG2-CG1 3.78Å; I619-V689 HydrophobicContact CD1-CG1 4.15Å |
| 620 | T | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 167.2 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | T530 V601 G602 I603 V618 F628 N629 Y631 | T530-T620 HydrophobicContact CG2-CG2 4.03Å; V601-T620 HydrophobicContact CG1-CG2 4.41Å; G602-T620 CarbonylContact O-C 3.52Å; G602-T620 WeakPolarHBondContact O-CA 3.39Å; G602-T620 VanDerWaalsContact O-CB 3.3Å; G602-T620 WeakPolarHBondContact O-CB 3.44Å; I603-T620 HydrophobicContact CG1-CG2 4.18Å; V618-T620 HydrophobicContact CG1-CG2 3.95Å; T620-F628 CarbonylContact O-C 3.56Å; T620-F628 VanDerWaalsContact O-CA 3.28Å; T620-F628 WeakPolarHBondContact O-CA 3.31Å; T620-N629 PolarHBondContact N-O 3.23Å; T620-N629 PolarHBondContact O-N 2.68Å; T620-Y631 HydrophobicContact CG2-CD2 4.18Å; T620-Y631 WeakPolarHBondContact OG1-CE2 3.46Å |
| 621 | R | 88.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 125.7 | 167.1 | 177.4 | -179.6 | 176.5 | -163.9 | -1.1 | 108.4 | F568 E569 G602 L604 Q625 F628 | F568-R621 HydrophobicContact CE1-CG 4.45Å; F568-R621 WeakPolarHBondContact CE1-O 3.36Å; E569-R621 IonicContact OE2-CZ 3.27Å; E569-R621 IonicContact OE2-NH1 3.82Å; E569-R621 PolarHBondContact OE2-NH1 3.04Å; E569-R621 IonicContact OE2-NH2 2.64Å; E569-R621 PolarHBondContact OE2-NH2 3.4Å; E569-R621 VanDerWaalsContact OE2-NH2 3.14Å; G602-R621 PolarHBondContact N-O 2.73Å; G602-R621 PolarHBondContact O-N 2.89Å; L604-R621 HydrophobicContact CD1-CB 3.86Å; R621-Q625 PolarHBondContact NE-O 3.18Å; R621-F628 HydrophobicContact CB-CD1 3.96Å; R621-F628 HydrophobicContact CB-CE1 4.16Å |
| 622 | A | 85.3 | Confident | 87 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 142.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y599 V601 N624 Q625 | Y599-A622 HydrophobicContact CE2-CB 4.24Å; V601-A622 HydrophobicContact CG2-CB 4.09Å; A622-N624 PolarHBondContact O-N 2.94Å; A622-Q625 HydrophobicContact CB-CB 4.18Å; A622-Q625 HydrophobicContact CB-CG 4.02Å; A622-Q625 PolarHBondContact O-N 3.31Å |
| 623 | L | 79.7 | Confident | 88.2 | Confident | 26 Ų | 26 | 25.3 Ų | 25.3 | 14% | 0.136 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37.2 | -179.5 | -82.1 | 179 | 0 | 0 | 0 | 113 | K567 F568 I597 P598 E600 Q625 | K567-L623 HydrophobicContact CB-CD1 4.43Å; K567-L623 HydrophobicContact CB-CD2 4.4Å; K567-L623 HydrophobicContact CD-CD1 4.31Å; F568-L623 HydrophobicContact CD1-CD2 3.65Å; F568-L623 HydrophobicContact CD1-CG 4.48Å; F568-L623 HydrophobicContact CD2-CD2 4Å; F568-L623 HydrophobicContact CE1-CD2 3.51Å; F568-L623 HydrophobicContact CE1-CG 3.86Å; F568-L623 HydrophobicContact CE2-CD2 3.86Å; F568-L623 HydrophobicContact CE2-CG 4.01Å; F568-L623 HydrophobicContact CG-CD2 3.89Å; F568-L623 HydrophobicContact CZ-CD2 3.61Å; F568-L623 HydrophobicContact CZ-CG 3.59Å; I597-L623 HydrophobicContact CG2-CB 3.71Å; I597-L623 HydrophobicContact CG2-CD1 4.24Å; P598-L623 HydrophobicContact CG-CD1 4.21Å; E600-L623 HydrophobicContact CB-CD1 3.85Å; E600-L623 HydrophobicContact CB-CG 4.3Å; E600-L623 HydrophobicContact CG-CD1 4.24Å; E600-L623 PolarHBondContact O-N 3.13Å; E600-L623 WeakPolarHBondContact OE2-CD1 3.46Å; L623-Q625 VanDerWaalsContact C-N 3.27Å; L623-Q625 PolarHBondContact O-N 2.79Å |
| 624 | N | 78.5 | Confident | 88.7 | Confident | 89 Ų | 89 | 22.4 Ų | 22.4 | 48% | 0.476 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 8.9 | 178.7 | 69.6 | -11.4 | 0 | 0 | 0 | 114.3 | Y599 A622 | Y599-N624 WeakPolarHBondContact CD2-ND2 3.44Å; Y599-N624 WeakPolarHBondContact CE2-OD1 3.42Å; A622-N624 PolarHBondContact O-N 2.94Å |
| 625 | Q | 78 | Confident | 88.9 | Confident | 37 Ų | 37 | 22.5 Ų | 22.5 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | trans | -121.9 | 124.5 | -179 | -66.4 | -178.9 | 33.3 | 0 | 0 | 112.6 | R621 A622 L623 H627 N629 | R621-Q625 PolarHBondContact NE-O 3.18Å; A622-Q625 HydrophobicContact CB-CB 4.18Å; A622-Q625 HydrophobicContact CB-CG 4.02Å; A622-Q625 PolarHBondContact O-N 3.31Å; L623-Q625 VanDerWaalsContact C-N 3.27Å; L623-Q625 PolarHBondContact O-N 2.79Å; Q625-H627 PolarHBondContact O-N 2.7Å; Q625-H627 PolarHBondContact OE1-CE1 3.31Å; Q625-H627 PolarHBondContact OE1-NE2 2.82Å; Q625-N629 PolarHBondContact OE1-ND2 2.82Å | ||
| 626 | N | 78.4 | Confident | 88.8 | Confident | 155 Ų | 155 | 21.2 Ų | 21.2 | 83% | 0.829 | 11% | 0.109 | S | C | * | . | S | Bend | trans | -84.9 | 30.7 | 173.9 | -70.2 | -13.4 | 0 | 0 | 0 | 113.1 | ||
| 627 | H | 86.3 | Confident | 88.5 | Confident | 59 Ų | 59 | 22.5 Ų | 22.5 | 27% | 0.273 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -145.7 | 160.4 | 173 | 64.1 | -71.5 | 0 | 0 | 0 | 110.4 | Q625 N629 | Q625-H627 PolarHBondContact O-N 2.7Å; Q625-H627 PolarHBondContact OE1-CE1 3.31Å; Q625-H627 PolarHBondContact OE1-NE2 2.82Å; H627-N629 PolarHBondContact CD2-OD1 2.98Å; H627-N629 PolarHBondContact NE2-OD1 2.83Å |
| 628 | F | 89.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 23.5 Ų | 23.5 | 7% | 0.066 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 150.1 | 174.6 | -60.3 | -77.4 | 0 | 0 | 0 | 109.3 | M570 L604 I619 T620 R621 L674 A676 Y678 V681 | M570-F628 HydrophobicContact CE-CZ 4.21Å; M570-F628 HydrophobicContact SD-CE1 4.03Å; M570-F628 HydrophobicContact SD-CZ 4.24Å; L604-F628 HydrophobicContact CD1-CD1 3.37Å; L604-F628 HydrophobicContact CD1-CE1 3.44Å; L604-F628 VanDerWaalsContact CD1-CE1 3.44Å; I619-F628 HydrophobicContact CG2-CB 4.17Å; T620-F628 CarbonylContact O-C 3.56Å; T620-F628 VanDerWaalsContact O-CA 3.28Å; T620-F628 WeakPolarHBondContact O-CA 3.31Å; R621-F628 HydrophobicContact CB-CD1 3.96Å; R621-F628 HydrophobicContact CB-CE1 4.16Å; F628-L674 HydrophobicContact CB-CB 4.08Å; F628-L674 PolarHBondContact N-O 2.93Å; F628-L674 WeakPolarHBondContact O-CA 3.49Å; F628-L674 PolarHBondContact O-N 3.3Å; F628-A676 VanDerWaalsContact CE2-O 3.28Å; F628-A676 WeakPolarHBondContact CE2-O 3.04Å; F628-Y678 HydrophobicContact CZ-CD2 4.39Å; F628-V681 HydrophobicContact CD2-CG2 3.87Å; F628-V681 HydrophobicContact CE2-CG2 4.06Å; F628-V681 HydrophobicContact CG-CG2 4.23Å |
| 629 | N | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144.7 | 169.5 | -67.7 | -33.2 | 0 | 0 | 0 | 108.9 | I619 T620 Q625 H627 Y631 W671 | I619-N629 CarbonylContact C-O 3.36Å; I619-N629 WeakPolarHBondContact CA-O 3.25Å; T620-N629 PolarHBondContact N-O 3.23Å; T620-N629 PolarHBondContact O-N 2.68Å; Q625-N629 PolarHBondContact OE1-ND2 2.82Å; H627-N629 PolarHBondContact CD2-OD1 2.98Å; H627-N629 PolarHBondContact NE2-OD1 2.83Å; N629-Y631 HydrophobicContact CB-CD2 4.37Å; N629-Y631 HydrophobicContact CB-CE2 3.62Å; N629-Y631 PolarHBondContact ND2-OH 3.48Å; N629-W671 HydrophobicContact CB-CE3 4.32Å; N629-W671 HydrophobicContact CB-CZ3 4.49Å |
| 630 | I | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128 | 162.7 | -179.3 | 167.2 | 0 | 0 | 0 | 108.6 | V618 I619 W671 K672 L674 V689 L693 | V618-I630 WeakPolarHBondContact O-CA 3.46Å; I619-I630 HydrophobicContact CG1-CB 4.4Å; I619-I630 HydrophobicContact CG1-CD1 4.34Å; I619-I630 HydrophobicContact CG1-CG1 4.38Å; I630-W671 CarbonylContact O-C 3.57Å; I630-W671 WeakPolarHBondContact O-CA 3.36Å; I630-W671 WeakPolarHBondContact O-CB 3.46Å; I630-K672 HydrophobicContact CG2-CB 3.82Å; I630-K672 WeakPolarHBondContact CG2-O 3.38Å; I630-K672 PolarHBondContact N-O 3.31Å; I630-K672 PolarHBondContact O-N 2.99Å; I630-L674 HydrophobicContact CG2-CD1 3.83Å; I630-V689 HydrophobicContact CD1-CB 3.55Å; I630-V689 HydrophobicContact CD1-CG1 3.57Å; I630-V689 HydrophobicContact CG2-CG1 4.49Å; I630-L693 HydrophobicContact CG2-CD2 4.23Å |
| 631 | Y | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.3 | 171.6 | -66.1 | -71.8 | 0 | 0 | 0 | 108.9 | P523 E526 C527 C531 S617 V618 T620 N629 W671 L696 | P523-Y631 HydrophobicContact CB-CE1 4.2Å; P523-Y631 VanDerWaalsContact O-CE1 3.24Å; P523-Y631 WeakPolarHBondContact O-CE1 3.48Å; E526-Y631 HydrophobicContact CB-CE1 4.12Å; E526-Y631 HydrophobicContact CB-CE2 3.95Å; E526-Y631 VanDerWaalsContact CD-OH 3.26Å; E526-Y631 PolarHBondContact OE1-OH 2.91Å; E526-Y631 PolarHBondContact OE2-OH 3.48Å; E526-Y631 VanDerWaalsContact OE2-OH 3.13Å; C527-Y631 HydrophobicContact CB-CD1 3.55Å; C527-Y631 HydrophobicContact CB-CE1 4.22Å; C527-Y631 HydrophobicContact CB-CG 4.14Å; C531-Y631 PolarHBondContact SG-O 3.09Å; S617-Y631 CarbonylContact C-O 3.59Å; S617-Y631 VanDerWaalsContact CA-O 3.28Å; S617-Y631 WeakPolarHBondContact CA-O 3.41Å; V618-Y631 PolarHBondContact N-O 3.06Å; V618-Y631 PolarHBondContact O-N 3.29Å; T620-Y631 HydrophobicContact CG2-CD2 4.18Å; T620-Y631 WeakPolarHBondContact OG1-CE2 3.46Å; N629-Y631 HydrophobicContact CB-CD2 4.37Å; N629-Y631 HydrophobicContact CB-CE2 3.62Å; N629-Y631 PolarHBondContact ND2-OH 3.48Å; Y631-W671 HydrophobicContact CD1-CB 3.48Å; Y631-W671 VanDerWaalsContact CD1-CB 3.48Å; Y631-W671 HydrophobicContact CD1-CG 4.43Å; Y631-W671 HydrophobicContact CE1-CB 3.59Å; Y631-W671 HydrophobicContact CE1-CD2 4.16Å; Y631-W671 AromaticContact CE1-CE3 3.91Å; Y631-W671 HydrophobicContact CE1-CE3 3.91Å; Y631-W671 HydrophobicContact CE1-CG 4.08Å; Y631-W671 HydrophobicContact CG-CB 4.47Å; Y631-L696 HydrophobicContact CD1-CD1 4.43Å |
| 632 | T | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 132.4 | -175.3 | -63.5 | 0 | 0 | 0 | 0 | 109.5 | M616 S617 I639 A670 L693 | M616-T632 WeakPolarHBondContact O-CA 3.38Å; M616-T632 WeakPolarHBondContact O-CG2 3.36Å; S617-T632 WeakPolarHBondContact CB-OG1 3.47Å; S617-T632 WeakPolarHBondContact OG-CG2 3.32Å; S617-T632 PolarHBondContact OG-OG1 2.95Å; T632-I639 HydrophobicContact CG2-CD1 3.61Å; T632-A670 PolarHBondContact N-O 3.3Å; T632-A670 PolarHBondContact O-N 3.09Å; T632-L693 HydrophobicContact CG2-CD1 4.06Å |
| 633 | K | 94.8 | Very high | 88.8 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 147.4 | 170.9 | 73.1 | -179.4 | 179.8 | -164.1 | 0 | 111 | C531 D547 M550 R615 M616 A668 L669 | C531-K633 VanDerWaalsContact O-CD 3.3Å; C531-K633 WeakPolarHBondContact O-CD 3.31Å; C531-K633 WeakPolarHBondContact O-CE 3.45Å; C531-K633 PolarHBondContact O-NZ 2.96Å; D547-K633 IonicContact OD1-NZ 3.88Å; D547-K633 PolarHBondContact OD1-NZ 3.26Å; D547-K633 IonicContact OD2-NZ 2.68Å; D547-K633 PolarHBondContact OD2-NZ 2.92Å; M550-K633 HydrophobicContact CE-CD 3.83Å; M550-K633 HydrophobicContact SD-CD 4.17Å; R615-K633 CarbonylContact C-O 3.52Å; R615-K633 WeakPolarHBondContact CA-O 3.35Å; R615-K633 WeakPolarHBondContact CB-O 3.23Å; M616-K633 HydrophobicContact CG-CD 4.28Å; M616-K633 HydrophobicContact CG-CG 3.7Å; M616-K633 PolarHBondContact N-O 3.43Å; M616-K633 PolarHBondContact O-N 3.24Å; M616-K633 VanDerWaalsContact O-O 3.11Å; M616-K633 WeakPolarHBondContact SD-CE 3.45Å; K633-A668 WeakPolarHBondContact CA-O 3.37Å; K633-L669 HydrophobicContact CB-CD2 3.59Å |
| 634 | G | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | -169.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q614 L667 A668 | Q614-G634 CarbonylContact O-C 3.45Å; Q614-G634 VanDerWaalsContact O-CA 3.29Å; Q614-G634 WeakPolarHBondContact O-CA 3.49Å; G634-L667 WeakPolarHBondContact O-CA 3.42Å; G634-A668 PolarHBondContact N-O 3.18Å; G634-A668 VanDerWaalsContact N-O 3.16Å; G634-A668 PolarHBondContact O-N 3.05Å |
| 635 | A | 87.3 | Confident | 89.6 | Confident | 14 Ų | 14 | 37 Ų | 37 | 12% | 0.116 | 19% | 0.194 | C | C | . | . | trans | -59.6 | 130.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q614 E637 T638 I639 | Q614-A635 HydrophobicContact CB-CB 3.88Å; Q614-A635 PolarHBondContact O-N 3.33Å; A635-E637 VanDerWaalsContact C-N 3.32Å; A635-E637 HydrophobicContact CB-CG 4.19Å; A635-E637 PolarHBondContact O-N 3.37Å; A635-T638 WeakPolarHBondContact O-CA 3.04Å; A635-T638 WeakPolarHBondContact O-CB 3.31Å; A635-T638 PolarHBondContact O-N 2.85Å; A635-I639 PolarHBondContact O-N 2.97Å; A635-I639 VanDerWaalsContact O-N 3.08Å | ||
| 636 | P | 89.9 | Confident | 90 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -49.9 | -46.8 | -174.7 | -31.9 | 38.4 | 0 | 0 | 0 | 114.7 | T638 I639 E640 F652 L656 V666 A668 | P636-T638 PolarHBondContact O-N 3.04Å; P636-I639 PolarHBondContact O-N 2.72Å; P636-E640 WeakPolarHBondContact O-CB 3.37Å; P636-E640 PolarHBondContact O-N 3.11Å; P636-F652 HydrophobicContact CB-CZ 3.97Å; P636-L656 HydrophobicContact CB-CD1 3.83Å; P636-L656 HydrophobicContact CB-CD2 3.67Å; P636-L656 HydrophobicContact CB-CG 4.4Å; P636-L656 HydrophobicContact CG-CD1 3.68Å; P636-L656 HydrophobicContact CG-CD2 4.42Å; P636-V666 WeakPolarHBondContact CD-O 3.49Å; P636-V666 HydrophobicContact CG-CB 4.37Å; P636-V666 HydrophobicContact CG-CG1 4.04Å; P636-A668 HydrophobicContact CB-CB 4.17Å; P636-A668 HydrophobicContact CG-CB 4.27Å |
| 637 | E | 84.6 | Confident | 90.4 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.4 | -26.6 | 175.4 | 57 | -92.2 | -149 | 0 | 0 | 114.4 | A635 L641 | A635-E637 VanDerWaalsContact C-N 3.32Å; A635-E637 HydrophobicContact CB-CG 4.19Å; A635-E637 PolarHBondContact O-N 3.37Å; E637-L641 WeakPolarHBondContact O-CD1 3.49Å; E637-L641 WeakPolarHBondContact O-CG 3.17Å |
| 638 | T | 89.4 | Confident | 90.5 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -91.9 | -36.1 | -179.6 | -68.5 | 0 | 0 | 0 | 0 | 111.1 | L613 R615 A635 P636 L641 L642 | L613-T638 WeakPolarHBondContact O-CG2 3.3Å; R615-T638 HydrophobicContact CB-CG2 4.45Å; A635-T638 WeakPolarHBondContact O-CA 3.04Å; A635-T638 WeakPolarHBondContact O-CB 3.31Å; A635-T638 PolarHBondContact O-N 2.85Å; P636-T638 PolarHBondContact O-N 3.04Å; T638-L641 PolarHBondContact O-N 3.16Å; T638-L642 HydrophobicContact CG2-CD1 4.19Å; T638-L642 WeakPolarHBondContact O-CD1 3.46Å; T638-L642 VanDerWaalsContact O-CG 3.3Å; T638-L642 WeakPolarHBondContact O-CG 3.1Å |
| 639 | I | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.3 | -37.3 | 174.5 | -58.5 | -53.3 | 0 | 0 | 0 | 111.1 | R615 T632 A635 P636 L641 L642 C643 A668 A670 | R615-I639 HydrophobicContact CB-CD1 4.28Å; T632-I639 HydrophobicContact CG2-CD1 3.61Å; A635-I639 PolarHBondContact O-N 2.97Å; A635-I639 VanDerWaalsContact O-N 3.08Å; P636-I639 PolarHBondContact O-N 2.72Å; I639-L641 VanDerWaalsContact C-N 3.27Å; I639-L641 PolarHBondContact O-N 2.9Å; I639-L642 PolarHBondContact O-N 3.47Å; I639-C643 WeakPolarHBondContact O-CB 3.09Å; I639-C643 PolarHBondContact O-N 2.93Å; I639-C643 PolarHBondContact O-SG 3.46Å; I639-C643 VanDerWaalsContact O-SG 3.42Å; I639-A668 HydrophobicContact CB-CB 3.64Å; I639-A668 HydrophobicContact CG1-CB 3.77Å; I639-A668 HydrophobicContact CG2-CB 3.85Å; I639-A670 HydrophobicContact CG2-CB 3.64Å |
| 640 | E | 91.7 | Very high | 90 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -50.8 | -44.6 | 171.8 | -174.1 | -167 | 154.2 | 0 | 0 | 112.3 | P636 L642 I648 F652 H653 | P636-E640 WeakPolarHBondContact O-CB 3.37Å; P636-E640 PolarHBondContact O-N 3.11Å; E640-L642 VanDerWaalsContact C-N 3.28Å; E640-L642 PolarHBondContact O-N 2.63Å; E640-I648 HydrophobicContact CG-CD1 4.09Å; E640-I648 WeakPolarHBondContact O-CD1 3.5Å; E640-F652 HydrophobicContact CB-CE1 3.86Å; E640-F652 HydrophobicContact CB-CZ 4.14Å; E640-F652 HydrophobicContact CG-CD1 4.3Å; E640-F652 HydrophobicContact CG-CE1 3.88Å; E640-F652 WeakPolarHBondContact OE2-CE1 3.46Å; E640-H653 VanDerWaalsContact CD-CE1 3.49Å; E640-H653 IonicContact OE1-CE1 3.66Å; E640-H653 PolarHBondContact OE1-CE1 2.96Å; E640-H653 IonicContact OE1-NE2 2.99Å; E640-H653 IonicContact OE2-CE1 2.73Å; E640-H653 PolarHBondContact OE2-CE1 2.72Å; E640-H653 IonicContact OE2-ND1 3.75Å |
| 641 | L | 90.6 | Very high | 89.7 | Confident | 132 Ų | 132 | 45.8 Ų | 45.8 | 69% | 0.691 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.1 | -179.7 | -67.5 | 170.8 | 0 | 0 | 0 | 114.4 | E637 T638 I639 | E637-L641 WeakPolarHBondContact O-CD1 3.49Å; E637-L641 WeakPolarHBondContact O-CG 3.17Å; T638-L641 PolarHBondContact O-N 3.16Å; I639-L641 VanDerWaalsContact C-N 3.27Å; I639-L641 PolarHBondContact O-N 2.9Å |
| 642 | L | 92.3 | Very high | 89.3 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -25.7 | -176.7 | -66.2 | 171.4 | 0 | 0 | 0 | 112.4 | T638 I639 E640 E690 N692 L693 | T638-L642 HydrophobicContact CG2-CD1 4.19Å; T638-L642 WeakPolarHBondContact O-CD1 3.46Å; T638-L642 VanDerWaalsContact O-CG 3.3Å; T638-L642 WeakPolarHBondContact O-CG 3.1Å; I639-L642 PolarHBondContact O-N 3.47Å; E640-L642 VanDerWaalsContact C-N 3.28Å; E640-L642 PolarHBondContact O-N 2.63Å; L642-E690 WeakPolarHBondContact CB-O 3.37Å; L642-E690 HydrophobicContact CD2-CB 4.46Å; L642-N692 PolarHBondContact O-N 3.1Å; L642-L693 HydrophobicContact CB-CD1 4.25Å; L642-L693 PolarHBondContact O-N 3.41Å |
| 643 | C | 92.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 5% | 0.054 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -70.6 | 153.8 | 170.5 | -75.6 | 0 | 0 | 0 | 0 | 112.1 | I639 I648 A670 L693 | I639-C643 WeakPolarHBondContact O-CB 3.09Å; I639-C643 PolarHBondContact O-N 2.93Å; I639-C643 PolarHBondContact O-SG 3.46Å; I639-C643 VanDerWaalsContact O-SG 3.42Å; C643-I648 HydrophobicContact CB-CD1 4.09Å; C643-I648 HydrophobicContact CB-CG1 4.09Å; C643-A670 VanDerWaalsContact SG-CB 3.55Å; C643-L693 CarbonylContact C-O 3.55Å; C643-L693 WeakPolarHBondContact CA-O 3.38Å |
| 644 | R | 90.7 | Very high | 88.4 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | trans | -71.6 | 135.4 | 167.7 | -58.5 | 161.6 | 48.3 | 126.4 | -5.3 | 109.5 | D646 T647 N692 L693 | R644-D646 WeakPolarHBondContact CB-OD1 3.42Å; R644-D646 IonicContact CZ-OD1 2.75Å; R644-D646 IonicContact CZ-OD2 3.31Å; R644-D646 IonicContact NE-OD1 3.43Å; R644-D646 PolarHBondContact NE-OD1 3.26Å; R644-D646 IonicContact NE-OD2 3.65Å; R644-D646 IonicContact NH2-OD1 3.68Å; R644-D646 PolarHBondContact NH2-OD1 2.98Å; R644-D646 IonicContact NH2-OD2 2.83Å; R644-D646 PolarHBondContact NH2-OD2 3.19Å; R644-D646 PolarHBondContact O-N 2.98Å; R644-D646 VanDerWaalsContact O-N 3.08Å; R644-T647 PolarHBondContact O-N 3.48Å; R644-T647 PolarHBondContact O-OG1 2.68Å; R644-N692 HydrophobicContact CG-CB 4.01Å; R644-L693 PolarHBondContact N-O 2.71Å | ||
| 645 | C | 85.5 | Confident | 88.2 | Confident | 114 Ų | 114 | 53.4 Ų | 53.4 | 77% | 0.77 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -60 | -22.1 | -177.7 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | T647 | C645-T647 VanDerWaalsContact C-N 3.26Å; C645-T647 PolarHBondContact O-N 3.1Å |
| 646 | D | 85.9 | Confident | 88.1 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -78.2 | -5.6 | 175.5 | 68.3 | -45 | 0 | 0 | 0 | 114.1 | R644 | R644-D646 WeakPolarHBondContact CB-OD1 3.42Å; R644-D646 IonicContact CZ-OD1 2.75Å; R644-D646 IonicContact CZ-OD2 3.31Å; R644-D646 IonicContact NE-OD1 3.43Å; R644-D646 PolarHBondContact NE-OD1 3.26Å; R644-D646 IonicContact NE-OD2 3.65Å; R644-D646 IonicContact NH2-OD1 3.68Å; R644-D646 PolarHBondContact NH2-OD1 2.98Å; R644-D646 IonicContact NH2-OD2 2.83Å; R644-D646 PolarHBondContact NH2-OD2 3.19Å; R644-D646 PolarHBondContact O-N 2.98Å; R644-D646 VanDerWaalsContact O-N 3.08Å |
| 647 | T | 87.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -108.7 | 1.3 | 177.2 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | Y504 R644 C645 R694 F695 | Y504-T647 WeakPolarHBondContact CE2-O 3.29Å; R644-T647 PolarHBondContact O-N 3.48Å; R644-T647 PolarHBondContact O-OG1 2.68Å; C645-T647 VanDerWaalsContact C-N 3.26Å; C645-T647 PolarHBondContact O-N 3.1Å; T647-R694 HydrophobicContact CG2-CB 4.22Å; T647-R694 HydrophobicContact CG2-CG 4.14Å; T647-F695 WeakPolarHBondContact O-CB 3.19Å; T647-F695 PolarHBondContact OG1-N 3.28Å |
| 648 | I | 87.8 | Confident | 87.7 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -97.3 | 125.2 | -176.5 | -58.2 | 174.5 | 0 | 0 | 0 | 108.8 | E640 C643 F652 | E640-I648 HydrophobicContact CG-CD1 4.09Å; E640-I648 WeakPolarHBondContact O-CD1 3.5Å; C643-I648 HydrophobicContact CB-CD1 4.09Å; C643-I648 HydrophobicContact CB-CG1 4.09Å; I648-F652 HydrophobicContact CG2-CB 3.71Å; I648-F652 HydrophobicContact CG2-CD1 4.25Å; I648-F652 HydrophobicContact CG2-CD2 4.1Å; I648-F652 HydrophobicContact CG2-CG 3.77Å |
| 649 | P | 87.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | trans | -55.3 | 143.2 | 176 | -29 | 36.6 | 0 | 0 | 0 | 113 | Y504 G507 F509 D651 F652 F695 | Y504-P649 HydrophobicContact CD2-CG 3.7Å; Y504-P649 HydrophobicContact CE2-CG 4.01Å; G507-P649 WeakPolarHBondContact O-CA 3.47Å; F509-P649 HydrophobicContact CD1-CG 4.32Å; F509-P649 HydrophobicContact CD2-CB 4.1Å; F509-P649 HydrophobicContact CD2-CG 4.29Å; F509-P649 HydrophobicContact CE1-CG 4.09Å; F509-P649 HydrophobicContact CE2-CB 3.9Å; F509-P649 HydrophobicContact CE2-CG 4.06Å; F509-P649 HydrophobicContact CG-CG 4.43Å; F509-P649 HydrophobicContact CZ-CB 4.28Å; F509-P649 HydrophobicContact CZ-CG 3.97Å; P649-D651 VanDerWaalsContact CB-OD1 3.31Å; P649-D651 WeakPolarHBondContact CB-OD1 3.48Å; P649-D651 PolarHBondContact O-N 2.99Å; P649-D651 VanDerWaalsContact O-N 3.13Å; P649-F652 WeakPolarHBondContact O-CB 3.47Å; P649-F652 PolarHBondContact O-N 2.91Å; P649-F695 HydrophobicContact CG-CD1 4.29Å; P649-F695 HydrophobicContact CG-CE1 4.05Å | ||
| 650 | R | 84.2 | Confident | 86.7 | Confident | 251 Ų | 251 | 58.2 Ų | 58.2 | 95% | 0.947 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.3 | -179.5 | -63 | -176.5 | -177.4 | -178.5 | 2.3 | 112.9 | ||
| 651 | D | 85.8 | Confident | 85.9 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 10.2 | -180 | 65.4 | -50 | 0 | 0 | 0 | 113.4 | F509 P649 H653 S654 T655 | F509-D651 WeakPolarHBondContact CD2-OD2 3.47Å; P649-D651 VanDerWaalsContact CB-OD1 3.31Å; P649-D651 WeakPolarHBondContact CB-OD1 3.48Å; P649-D651 PolarHBondContact O-N 2.99Å; P649-D651 VanDerWaalsContact O-N 3.13Å; D651-H653 PolarHBondContact O-N 2.98Å; D651-S654 VanDerWaalsContact CA-OG 3.29Å; D651-S654 WeakPolarHBondContact CA-OG 3.5Å; D651-S654 WeakPolarHBondContact CB-OG 3.48Å; D651-S654 PolarHBondContact O-N 3.43Å; D651-S654 PolarHBondContact O-OG 2.67Å; D651-T655 PolarHBondContact O-N 3.2Å; D651-T655 PolarHBondContact O-OG1 3.35Å; D651-T655 PolarHBondContact OD2-OG1 2.7Å |
| 652 | F | 88.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -44.7 | -55.5 | -179.7 | 179.7 | -99.5 | 0 | 0 | 0 | 113.5 | F509 P636 E640 I648 P649 S654 L656 F695 L698 | F509-F652 HydrophobicContact CZ-CD2 4.02Å; P636-F652 HydrophobicContact CB-CZ 3.97Å; E640-F652 HydrophobicContact CB-CE1 3.86Å; E640-F652 HydrophobicContact CB-CZ 4.14Å; E640-F652 HydrophobicContact CG-CD1 4.3Å; E640-F652 HydrophobicContact CG-CE1 3.88Å; E640-F652 WeakPolarHBondContact OE2-CE1 3.46Å; I648-F652 HydrophobicContact CG2-CB 3.71Å; I648-F652 HydrophobicContact CG2-CD1 4.25Å; I648-F652 HydrophobicContact CG2-CD2 4.1Å; I648-F652 HydrophobicContact CG2-CG 3.77Å; P649-F652 WeakPolarHBondContact O-CB 3.47Å; P649-F652 PolarHBondContact O-N 2.91Å; F652-S654 PolarHBondContact O-N 3.48Å; F652-L656 HydrophobicContact CE1-CD2 4.34Å; F652-L656 WeakPolarHBondContact O-CB 3.21Å; F652-L656 PolarHBondContact O-N 2.64Å; F652-F695 HydrophobicContact CD2-CE2 4.37Å; F652-F695 HydrophobicContact CD2-CZ 4.06Å; F652-F695 HydrophobicContact CE2-CD2 4.5Å; F652-F695 AromaticContact CE2-CE2 3.73Å; F652-F695 HydrophobicContact CE2-CE2 3.73Å; F652-F695 AromaticContact CE2-CZ 3.8Å; F652-F695 HydrophobicContact CE2-CZ 3.8Å; F652-L698 HydrophobicContact CE2-CD2 4.12Å |
| 653 | H | 86.1 | Confident | 84.3 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 36% | 0.356 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 179.1 | -74.4 | -26.9 | 0 | 0 | 0 | 113.7 | E640 D651 S657 R1360 | E640-H653 VanDerWaalsContact CD-CE1 3.49Å; E640-H653 IonicContact OE1-CE1 3.66Å; E640-H653 PolarHBondContact OE1-CE1 2.96Å; E640-H653 IonicContact OE1-NE2 2.99Å; E640-H653 IonicContact OE2-CE1 2.73Å; E640-H653 PolarHBondContact OE2-CE1 2.72Å; E640-H653 IonicContact OE2-ND1 3.75Å; D651-H653 PolarHBondContact O-N 2.98Å; H653-S657 WeakPolarHBondContact O-CB 3.27Å; H653-S657 PolarHBondContact O-N 2.87Å; H653-R1360 PolarHBondContact NE2-NH2 3.41Å |
| 654 | S | 84.8 | Confident | 83.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.8 | -49 | 179.3 | 24.8 | 0 | 0 | 0 | 0 | 111.3 | D651 F652 S657 V658 | D651-S654 VanDerWaalsContact CA-OG 3.29Å; D651-S654 WeakPolarHBondContact CA-OG 3.5Å; D651-S654 WeakPolarHBondContact CB-OG 3.48Å; D651-S654 PolarHBondContact O-N 3.43Å; D651-S654 PolarHBondContact O-OG 2.67Å; F652-S654 PolarHBondContact O-N 3.48Å; S654-S657 PolarHBondContact O-N 3.31Å; S654-S657 VanDerWaalsContact O-N 3.14Å; S654-V658 PolarHBondContact O-N 2.81Å |
| 655 | T | 86.9 | Confident | 83.4 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | -179.4 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | I502 F509 D651 S657 V658 Y659 | I502-T655 HydrophobicContact CD1-CG2 4.27Å; F509-T655 HydrophobicContact CD2-CG2 3.83Å; F509-T655 HydrophobicContact CE2-CG2 3.86Å; F509-T655 HydrophobicContact CG-CG2 4.44Å; D651-T655 PolarHBondContact O-N 3.2Å; D651-T655 PolarHBondContact O-OG1 3.35Å; D651-T655 PolarHBondContact OD2-OG1 2.7Å; T655-S657 VanDerWaalsContact C-N 3.33Å; T655-S657 PolarHBondContact O-N 2.7Å; T655-V658 PolarHBondContact O-N 2.92Å; T655-Y659 HydrophobicContact CG2-CD2 4.33Å; T655-Y659 HydrophobicContact CG2-CE2 4.01Å; T655-Y659 VanDerWaalsContact O-CD2 3.32Å; T655-Y659 WeakPolarHBondContact O-CD2 3.33Å; T655-Y659 PolarHBondContact O-N 2.96Å |
| 656 | L | 86.1 | Confident | 83.5 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.5 | -44.1 | 169.7 | 176.8 | 62.3 | 0 | 0 | 0 | 112.5 | P636 F652 V658 T660 V666 | P636-L656 HydrophobicContact CB-CD1 3.83Å; P636-L656 HydrophobicContact CB-CD2 3.67Å; P636-L656 HydrophobicContact CB-CG 4.4Å; P636-L656 HydrophobicContact CG-CD1 3.68Å; P636-L656 HydrophobicContact CG-CD2 4.42Å; F652-L656 HydrophobicContact CE1-CD2 4.34Å; F652-L656 WeakPolarHBondContact O-CB 3.21Å; F652-L656 PolarHBondContact O-N 2.64Å; L656-V658 VanDerWaalsContact C-N 3.27Å; L656-V658 PolarHBondContact O-N 3.12Å; L656-T660 HydrophobicContact CD1-CG2 3.8Å; L656-T660 HydrophobicContact CG-CG2 4.43Å; L656-T660 WeakPolarHBondContact O-CB 3.44Å; L656-T660 WeakPolarHBondContact O-CG2 3.49Å; L656-T660 PolarHBondContact O-N 3.29Å; L656-T660 PolarHBondContact O-OG1 3.5Å; L656-V666 HydrophobicContact CD1-CB 3.96Å; L656-V666 HydrophobicContact CD1-CG1 3.85Å; L656-V666 HydrophobicContact CD1-CG2 4.33Å |
| 657 | S | 80.2 | Confident | 83.7 | Confident | 24 Ų | 24 | 50 Ų | 50 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.5 | -17.1 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 113.8 | H653 S654 T655 R661 | H653-S657 WeakPolarHBondContact O-CB 3.27Å; H653-S657 PolarHBondContact O-N 2.87Å; S654-S657 PolarHBondContact O-N 3.31Å; S654-S657 VanDerWaalsContact O-N 3.14Å; T655-S657 VanDerWaalsContact C-N 3.33Å; T655-S657 PolarHBondContact O-N 2.7Å; S657-R661 WeakPolarHBondContact O-CB 3.21Å; S657-R661 WeakPolarHBondContact O-CD 3.5Å; S657-R661 WeakPolarHBondContact O-CG 3.47Å; S657-R661 PolarHBondContact OG-NE 3.34Å |
| 658 | V | 84.8 | Confident | 84 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.3 | -61.7 | 171.1 | 171.7 | 0 | 0 | 0 | 0 | 108.7 | S654 T655 L656 T660 R661 E662 | S654-V658 PolarHBondContact O-N 2.81Å; T655-V658 PolarHBondContact O-N 2.92Å; L656-V658 VanDerWaalsContact C-N 3.27Å; L656-V658 PolarHBondContact O-N 3.12Å; V658-T660 VanDerWaalsContact C-N 3.33Å; V658-T660 PolarHBondContact O-N 3.26Å; V658-R661 WeakPolarHBondContact O-CB 3.49Å; V658-R661 PolarHBondContact O-N 3.16Å; V658-E662 PolarHBondContact O-N 3.4Å |
| 659 | Y | 85 | Confident | 84.4 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.3 | -35.6 | -174.5 | -66.5 | -75.7 | 0 | 0 | 0 | 113.5 | W499 I502 T655 R661 E662 Y664 I700 | W499-Y659 AromaticContact CH2-CE1 3.76Å; W499-Y659 HydrophobicContact CH2-CE1 3.76Å; W499-Y659 HydrophobicContact CZ2-CE1 4.32Å; W499-Y659 AromaticContact CZ3-CE1 3.94Å; W499-Y659 HydrophobicContact CZ3-CE1 3.94Å; I502-Y659 HydrophobicContact CD1-CD2 4.09Å; I502-Y659 HydrophobicContact CD1-CE2 3.31Å; T655-Y659 HydrophobicContact CG2-CD2 4.33Å; T655-Y659 HydrophobicContact CG2-CE2 4.01Å; T655-Y659 VanDerWaalsContact O-CD2 3.32Å; T655-Y659 WeakPolarHBondContact O-CD2 3.33Å; T655-Y659 PolarHBondContact O-N 2.96Å; Y659-R661 VanDerWaalsContact C-N 3.32Å; Y659-R661 PolarHBondContact O-N 3.02Å; Y659-E662 PolarHBondContact O-N 3.33Å; Y659-Y664 AromaticContact CD1-CD2 3.98Å; Y659-Y664 HydrophobicContact CD1-CD2 3.98Å; Y659-Y664 HydrophobicContact CD1-CE2 4.44Å; Y659-Y664 WeakPolarHBondContact O-CB 3.4Å; Y659-Y664 PolarHBondContact O-N 3.41Å; Y659-Y664 VanDerWaalsContact O-N 3.11Å; Y659-I700 HydrophobicContact CD1-CD1 3.71Å; Y659-I700 HydrophobicContact CD1-CG2 4.28Å; Y659-I700 HydrophobicContact CD2-CD1 3.81Å; Y659-I700 HydrophobicContact CE1-CD1 3.82Å; Y659-I700 HydrophobicContact CE2-CD1 3.95Å; Y659-I700 HydrophobicContact CG-CD1 3.7Å |
| 660 | T | 76.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -16.6 | 176 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | L656 V658 V666 L732 | L656-T660 HydrophobicContact CD1-CG2 3.8Å; L656-T660 HydrophobicContact CG-CG2 4.43Å; L656-T660 WeakPolarHBondContact O-CB 3.44Å; L656-T660 WeakPolarHBondContact O-CG2 3.49Å; L656-T660 PolarHBondContact O-N 3.29Å; L656-T660 PolarHBondContact O-OG1 3.5Å; V658-T660 VanDerWaalsContact C-N 3.33Å; V658-T660 PolarHBondContact O-N 3.26Å; T660-V666 HydrophobicContact CG2-CB 4.28Å; T660-V666 HydrophobicContact CG2-CG2 3.88Å; T660-L732 WeakPolarHBondContact O-CB 3.4Å |
| 661 | R | 73.1 | Confident | 85.2 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -37.6 | 169.8 | -78.5 | 174.6 | -173.6 | -154.6 | -0.5 | 112 | S657 V658 Y659 G663 D847 L848 | S657-R661 WeakPolarHBondContact O-CB 3.21Å; S657-R661 WeakPolarHBondContact O-CD 3.5Å; S657-R661 WeakPolarHBondContact O-CG 3.47Å; S657-R661 PolarHBondContact OG-NE 3.34Å; V658-R661 WeakPolarHBondContact O-CB 3.49Å; V658-R661 PolarHBondContact O-N 3.16Å; Y659-R661 VanDerWaalsContact C-N 3.32Å; Y659-R661 PolarHBondContact O-N 3.02Å; R661-G663 PolarHBondContact O-N 2.85Å; R661-G663 VanDerWaalsContact O-N 3.08Å; R661-D847 PolarHBondContact NH1-O 3.43Å; R661-D847 VanDerWaalsContact NH1-O 3.16Å; R661-D847 VanDerWaalsContact NH2-CB 3.31Å; R661-D847 IonicContact NH2-OD2 2.78Å; R661-D847 PolarHBondContact NH2-OD2 3.44Å; R661-L848 HydrophobicContact CG-CD2 4.45Å |
| 662 | E | 77.4 | Confident | 85.6 | Confident | 131 Ų | 131 | 37.2 Ų | 37.2 | 61% | 0.612 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 21.7 | 172.8 | -53.4 | -70.7 | 128.5 | 0 | 0 | 112.4 | V658 Y659 Y664 | V658-E662 PolarHBondContact O-N 3.4Å; Y659-E662 PolarHBondContact O-N 3.33Å; E662-Y664 HydrophobicContact CB-CD2 3.78Å; E662-Y664 HydrophobicContact CB-CE2 3.78Å; E662-Y664 PolarHBondContact O-N 3.05Å |
| 663 | G | 73 | Confident | 85.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -12.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | R661 S736 | R661-G663 PolarHBondContact O-N 2.85Å; R661-G663 VanDerWaalsContact O-N 3.08Å; G663-S736 WeakPolarHBondContact CA-OG 3.4Å; G663-S736 PolarHBondContact N-OG 3.19Å |
| 664 | Y | 83.3 | Confident | 85.7 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 18% | 0.18 | 19% | 0.187 | C | C | . | . | trans | -61.2 | 140.7 | -176.6 | -63.3 | -72.1 | 0 | 0 | 0 | 113 | W499 Y659 E662 V666 I700 M701 E702 | W499-Y664 HydrophobicContact CB-CD1 4.43Å; W499-Y664 HydrophobicContact CB-CE1 4.31Å; W499-Y664 AromaticContact CD1-CE1 3.36Å; W499-Y664 AromaticContact CD1-CZ 3.66Å; W499-Y664 HydrophobicContact CG-CD1 4.31Å; W499-Y664 AromaticContact CG-CE1 3.85Å; W499-Y664 HydrophobicContact CG-CE1 3.85Å; W499-Y664 AromaticContact NE1-CE1 3.79Å; W499-Y664 AromaticContact NE1-CZ 3.57Å; W499-Y664 PolarHBondContact NE1-OH 2.96Å; Y659-Y664 AromaticContact CD1-CD2 3.98Å; Y659-Y664 HydrophobicContact CD1-CD2 3.98Å; Y659-Y664 HydrophobicContact CD1-CE2 4.44Å; Y659-Y664 WeakPolarHBondContact O-CB 3.4Å; Y659-Y664 PolarHBondContact O-N 3.41Å; Y659-Y664 VanDerWaalsContact O-N 3.11Å; E662-Y664 HydrophobicContact CB-CD2 3.78Å; E662-Y664 HydrophobicContact CB-CE2 3.78Å; E662-Y664 PolarHBondContact O-N 3.05Å; Y664-V666 PolarHBondContact O-N 3.49Å; Y664-I700 HydrophobicContact CD1-CG2 4.01Å; Y664-I700 HydrophobicContact CG-CG2 3.83Å; Y664-M701 WeakPolarHBondContact CA-O 3.36Å; Y664-E702 HydrophobicContact CD1-CB 4.11Å; Y664-E702 HydrophobicContact CD1-CG 4.33Å; Y664-E702 HydrophobicContact CE1-CB 3.94Å; Y664-E702 HydrophobicContact CE1-CG 3.88Å | ||
| 665 | R | 80.2 | Confident | 85.6 | Confident | 81 Ų | 81 | 43.9 Ų | 43.9 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 105 | 172.3 | -177.3 | 167.2 | 168.2 | 148.4 | -18.4 | 108.6 | L496 M701 D729 | L496-R665 HydrophobicContact CD2-CB 4.04Å; L496-R665 HydrophobicContact CD2-CG 4.49Å; R665-M701 HydrophobicContact CG-CE 4.23Å; R665-M701 PolarHBondContact N-O 3.35Å; R665-M701 PolarHBondContact O-N 3.23Å; R665-M701 VanDerWaalsContact O-N 3.07Å; R665-D729 IonicContact NH1-OD1 3.31Å; R665-D729 PolarHBondContact NH1-OD1 3.37Å |
| 666 | V | 87.8 | Confident | 85.2 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134 | 179.9 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | P636 L656 T660 Y664 L698 L699 | P636-V666 WeakPolarHBondContact CD-O 3.49Å; P636-V666 HydrophobicContact CG-CB 4.37Å; P636-V666 HydrophobicContact CG-CG1 4.04Å; L656-V666 HydrophobicContact CD1-CB 3.96Å; L656-V666 HydrophobicContact CD1-CG1 3.85Å; L656-V666 HydrophobicContact CD1-CG2 4.33Å; T660-V666 HydrophobicContact CG2-CB 4.28Å; T660-V666 HydrophobicContact CG2-CG2 3.88Å; Y664-V666 PolarHBondContact O-N 3.49Å; V666-L698 HydrophobicContact CG1-CB 3.99Å; V666-L698 HydrophobicContact CG1-CD1 4.14Å; V666-L698 HydrophobicContact CG1-CD2 3.96Å; V666-L698 HydrophobicContact CG1-CG 4.24Å; V666-L699 CarbonylContact C-O 3.53Å; V666-L699 WeakPolarHBondContact CA-O 3.2Å |
| 667 | L | 90.9 | Very high | 84.7 | Confident | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 151.2 | 165.4 | -64.7 | 177.2 | 0 | 0 | 0 | 109.5 | L546 G634 L698 L699 M701 | L546-L667 HydrophobicContact CD1-CD1 4.23Å; L546-L667 HydrophobicContact CD2-CD1 3.96Å; G634-L667 WeakPolarHBondContact O-CA 3.42Å; L667-L698 CarbonylContact O-C 3.48Å; L667-L698 WeakPolarHBondContact O-CA 3.39Å; L667-L699 HydrophobicContact CB-CB 4.31Å; L667-L699 HydrophobicContact CD1-CD2 4.38Å; L667-L699 PolarHBondContact N-O 3.01Å; L667-L699 PolarHBondContact O-N 3.42Å; L667-M701 HydrophobicContact CD1-CE 3.79Å; L667-M701 HydrophobicContact CG-CE 3.99Å |
| 668 | A | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 146 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K633 G634 P636 I639 F695 L698 | K633-A668 WeakPolarHBondContact CA-O 3.37Å; G634-A668 PolarHBondContact N-O 3.18Å; G634-A668 VanDerWaalsContact N-O 3.16Å; G634-A668 PolarHBondContact O-N 3.05Å; P636-A668 HydrophobicContact CB-CB 4.17Å; P636-A668 HydrophobicContact CG-CB 4.27Å; I639-A668 HydrophobicContact CB-CB 3.64Å; I639-A668 HydrophobicContact CG1-CB 3.77Å; I639-A668 HydrophobicContact CG2-CB 3.85Å; A668-F695 HydrophobicContact CB-CE2 3.99Å; A668-L698 HydrophobicContact CB-CD2 4.03Å |
| 669 | L | 95.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.6 | 177.5 | -55.9 | 179.7 | 0 | 0 | 0 | 109.9 | L524 L528 K633 F695 L696 G697 L699 | L524-L669 HydrophobicContact CD1-CD1 3.71Å; L528-L669 HydrophobicContact CD2-CD1 3.86Å; L528-L669 HydrophobicContact CG-CD1 4.36Å; K633-L669 HydrophobicContact CB-CD2 3.59Å; L669-F695 WeakPolarHBondContact O-CD2 3.48Å; L669-L696 HydrophobicContact CB-CB 4.04Å; L669-L696 PolarHBondContact O-N 2.84Å; L669-G697 PolarHBondContact N-O 2.9Å; L669-L699 HydrophobicContact CD1-CB 4.43Å; L669-L699 HydrophobicContact CG-CB 4.47Å |
| 670 | A | 95.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T632 I639 C643 L693 R694 | T632-A670 PolarHBondContact N-O 3.3Å; T632-A670 PolarHBondContact O-N 3.09Å; I639-A670 HydrophobicContact CG2-CB 3.64Å; C643-A670 VanDerWaalsContact SG-CB 3.55Å; A670-L693 HydrophobicContact CB-CB 4.01Å; A670-L693 HydrophobicContact CB-CD1 4.05Å; A670-R694 CarbonylContact C-O 3.54Å; A670-R694 WeakPolarHBondContact CA-O 3.15Å; A670-R694 WeakPolarHBondContact CB-O 3.46Å |
| 671 | W | 94.9 | Very high | 83.6 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 15% | 0.148 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 168.9 | 179 | 83.3 | -57.4 | 0 | 0 | 0 | 114.1 | P523 N629 I630 Y631 R694 L696 | P523-W671 HydrophobicContact CB-CD2 3.83Å; P523-W671 HydrophobicContact CB-CE3 4.17Å; P523-W671 HydrophobicContact CB-CG 4.28Å; P523-W671 HydrophobicContact CB-CH2 4.27Å; P523-W671 HydrophobicContact CB-CZ2 3.93Å; P523-W671 HydrophobicContact CB-CZ3 4.39Å; P523-W671 HydrophobicContact CG-CD2 4.33Å; P523-W671 HydrophobicContact CG-CE3 4.43Å; P523-W671 HydrophobicContact CG-CH2 3.7Å; P523-W671 HydrophobicContact CG-CZ2 3.55Å; P523-W671 HydrophobicContact CG-CZ3 4.14Å; N629-W671 HydrophobicContact CB-CE3 4.32Å; N629-W671 HydrophobicContact CB-CZ3 4.49Å; I630-W671 CarbonylContact O-C 3.57Å; I630-W671 WeakPolarHBondContact O-CA 3.36Å; I630-W671 WeakPolarHBondContact O-CB 3.46Å; Y631-W671 HydrophobicContact CD1-CB 3.48Å; Y631-W671 VanDerWaalsContact CD1-CB 3.48Å; Y631-W671 HydrophobicContact CD1-CG 4.43Å; Y631-W671 HydrophobicContact CE1-CB 3.59Å; Y631-W671 HydrophobicContact CE1-CD2 4.16Å; Y631-W671 AromaticContact CE1-CE3 3.91Å; Y631-W671 HydrophobicContact CE1-CE3 3.91Å; Y631-W671 HydrophobicContact CE1-CG 4.08Å; Y631-W671 HydrophobicContact CG-CB 4.47Å; W671-R694 PolarHBondContact N-O 3.17Å; W671-R694 PolarHBondContact O-N 2.91Å; W671-L696 HydrophobicContact CB-CD1 3.87Å; W671-L696 HydrophobicContact CB-CG 4.46Å; W671-L696 VanDerWaalsContact CD1-CD2 3.46Å; W671-L696 HydrophobicContact CG-CD1 4.03Å; W671-L696 HydrophobicContact CG-CD2 4.27Å; W671-L696 HydrophobicContact CG-CG 4.25Å |
| 672 | K | 92.8 | Very high | 83.6 | Confident | 39 Ų | 39 | 54 Ų | 54 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 137.9 | 170.4 | -179.8 | -179.8 | 62.2 | -176 | 0 | 111.6 | I630 V689 Q691 L693 | I630-K672 HydrophobicContact CG2-CB 3.82Å; I630-K672 WeakPolarHBondContact CG2-O 3.38Å; I630-K672 PolarHBondContact N-O 3.31Å; I630-K672 PolarHBondContact O-N 2.99Å; K672-V689 WeakPolarHBondContact CE-O 3.31Å; K672-V689 PolarHBondContact NZ-O 3.34Å; K672-Q691 PolarHBondContact NZ-O 3Å; K672-L693 HydrophobicContact CB-CD2 3.77Å; K672-L693 HydrophobicContact CD-CD2 4.45Å |
| 673 | P | 91.1 | Very high | 83.5 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 36% | 0.357 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 133.3 | 168.7 | 29.5 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 674 | L | 87.4 | Confident | 83.8 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.9 | 176.6 | -116 | 81.9 | 0 | 0 | 0 | 111.2 | F628 I630 A676 V689 | F628-L674 HydrophobicContact CB-CB 4.08Å; F628-L674 PolarHBondContact N-O 2.93Å; F628-L674 WeakPolarHBondContact O-CA 3.49Å; F628-L674 PolarHBondContact O-N 3.3Å; I630-L674 HydrophobicContact CG2-CD1 3.83Å; L674-A676 HydrophobicContact CD2-CB 4.48Å; L674-V689 HydrophobicContact CD1-CG1 3.87Å; L674-V689 HydrophobicContact CD2-CG1 3.84Å |
| 675 | K | 81.2 | Confident | 83.8 | Confident | 205 Ų | 205 | 58.1 Ų | 58.1 | 89% | 0.891 | 30% | 0.299 | S | S | * | . | trans | -94.3 | 91.4 | 165.2 | -67 | -173.3 | 177.9 | -175.2 | 0 | 109.2 | ||||
| 676 | A | 78.2 | Confident | 84 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | trans | -143.6 | 156.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F628 L674 V681 | F628-A676 VanDerWaalsContact CE2-O 3.28Å; F628-A676 WeakPolarHBondContact CE2-O 3.04Å; L674-A676 HydrophobicContact CD2-CB 4.48Å; A676-V681 HydrophobicContact CB-CG2 4Å | ||
| 677 | A | 76.8 | Confident | 83.8 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | trans | -76.2 | 146.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T679 K680 V681 | A677-T679 VanDerWaalsContact C-N 3.32Å; A677-T679 PolarHBondContact O-N 3.32Å; A677-K680 WeakPolarHBondContact O-CA 3.18Å; A677-K680 WeakPolarHBondContact O-CB 3.35Å; A677-K680 PolarHBondContact O-N 3.08Å; A677-V681 PolarHBondContact O-N 3.43Å | ||
| 678 | Y | 74.7 | Confident | 83.5 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 28% | 0.275 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -48.8 | -46.9 | -177.3 | 173.7 | -110 | 0 | 0 | 0 | 113.6 | M570 L604 F628 K680 V681 L682 | M570-Y678 HydrophobicContact CB-CD2 4.22Å; M570-Y678 HydrophobicContact CB-CE1 4.37Å; M570-Y678 HydrophobicContact CB-CE2 3.83Å; M570-Y678 HydrophobicContact CE-CD2 3.8Å; M570-Y678 HydrophobicContact CE-CE2 4.48Å; M570-Y678 HydrophobicContact CE-CG 3.96Å; M570-Y678 HydrophobicContact CG-CE2 4.3Å; M570-Y678 HydrophobicContact SD-CD2 3.68Å; M570-Y678 HydrophobicContact SD-CE2 3.97Å; M570-Y678 HydrophobicContact SD-CG 4.44Å; L604-Y678 HydrophobicContact CD2-CD2 4.43Å; L604-Y678 HydrophobicContact CD2-CE2 3.94Å; F628-Y678 HydrophobicContact CZ-CD2 4.39Å; Y678-K680 VanDerWaalsContact C-N 3.27Å; Y678-K680 PolarHBondContact O-N 3.44Å; Y678-V681 WeakPolarHBondContact O-CB 3.48Å; Y678-V681 PolarHBondContact O-N 2.89Å; Y678-L682 HydrophobicContact CD1-CD1 4.42Å; Y678-L682 HydrophobicContact CE1-CD1 3.85Å; Y678-L682 HydrophobicContact CE2-CD1 4.48Å; Y678-L682 HydrophobicContact CE2-CD2 4.4Å; Y678-L682 HydrophobicContact CE2-CG 4.48Å; Y678-L682 PolarHBondContact O-N 3.02Å |
| 679 | T | 72.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 59% | 0.589 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.6 | -33.4 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | A677 H683 | A677-T679 VanDerWaalsContact C-N 3.32Å; A677-T679 PolarHBondContact O-N 3.32Å; T679-H683 PolarHBondContact O-CD2 3.01Å |
| 680 | K | 78.1 | Confident | 82.9 | Confident | 146 Ų | 146 | 69.5 Ų | 69.5 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -73.6 | -32.7 | 174.7 | -68.3 | -173.7 | 176.7 | 179.8 | 0 | 112 | A677 Y678 L682 H683 V684 | A677-K680 WeakPolarHBondContact O-CA 3.18Å; A677-K680 WeakPolarHBondContact O-CB 3.35Å; A677-K680 PolarHBondContact O-N 3.08Å; Y678-K680 VanDerWaalsContact C-N 3.27Å; Y678-K680 PolarHBondContact O-N 3.44Å; K680-L682 VanDerWaalsContact C-N 3.33Å; K680-L682 PolarHBondContact O-N 3.1Å; K680-H683 PolarHBondContact O-N 3.14Å; K680-V684 VanDerWaalsContact O-CB 3.27Å; K680-V684 WeakPolarHBondContact O-CB 3.13Å; K680-V684 WeakPolarHBondContact O-CG2 3.33Å; K680-V684 PolarHBondContact O-N 2.67Å |
| 681 | V | 77 | Confident | 82.6 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 178.9 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | R605 I619 F628 A676 A677 Y678 H683 | R605-V681 PolarHBondContact NH1-O 3.46Å; I619-V681 HydrophobicContact CB-CG1 4.4Å; I619-V681 HydrophobicContact CD1-CG1 3.84Å; I619-V681 HydrophobicContact CG2-CG1 3.78Å; F628-V681 HydrophobicContact CD2-CG2 3.87Å; F628-V681 HydrophobicContact CE2-CG2 4.06Å; F628-V681 HydrophobicContact CG-CG2 4.23Å; A676-V681 HydrophobicContact CB-CG2 4Å; A677-V681 PolarHBondContact O-N 3.43Å; Y678-V681 WeakPolarHBondContact O-CB 3.48Å; Y678-V681 PolarHBondContact O-N 2.89Å; V681-H683 PolarHBondContact O-N 3.44Å |
| 682 | L | 73.5 | Confident | 82.4 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 179.3 | -65.3 | 175.9 | 0 | 0 | 0 | 113.6 | R605 Y678 K680 | R605-L682 PolarHBondContact NE-O 3.44Å; R605-L682 PolarHBondContact NH1-O 2.88Å; R605-L682 VanDerWaalsContact NH1-O 3.09Å; R605-L682 PolarHBondContact NH2-O 2.93Å; Y678-L682 HydrophobicContact CD1-CD1 4.42Å; Y678-L682 HydrophobicContact CE1-CD1 3.85Å; Y678-L682 HydrophobicContact CE2-CD1 4.48Å; Y678-L682 HydrophobicContact CE2-CD2 4.4Å; Y678-L682 HydrophobicContact CE2-CG 4.48Å; Y678-L682 PolarHBondContact O-N 3.02Å; K680-L682 VanDerWaalsContact C-N 3.33Å; K680-L682 PolarHBondContact O-N 3.1Å |
| 683 | H | 75.3 | Confident | 82.4 | Confident | 157 Ų | 157 | 76 Ų | 76 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -105.2 | -7 | -175.5 | -61.9 | -72.7 | 0 | 0 | 0 | 115.1 | T679 K680 V681 | T679-H683 PolarHBondContact O-CD2 3.01Å; K680-H683 PolarHBondContact O-N 3.14Å; V681-H683 PolarHBondContact O-N 3.44Å |
| 684 | V | 80.1 | Confident | 82.5 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | trans | -61.9 | 135.4 | -177.3 | 138.8 | 0 | 0 | 0 | 0 | 112.7 | R605 K680 V689 | R605-V684 PolarHBondContact NH1-O 2.89Å; R605-V684 PolarHBondContact NH2-O 3.06Å; K680-V684 VanDerWaalsContact O-CB 3.27Å; K680-V684 WeakPolarHBondContact O-CB 3.13Å; K680-V684 WeakPolarHBondContact O-CG2 3.33Å; K680-V684 PolarHBondContact O-N 2.67Å; V684-V689 HydrophobicContact CG1-CB 4.38Å; V684-V689 HydrophobicContact CG1-CG1 4.22Å; V684-V689 HydrophobicContact CG1-CG2 3.46Å; V684-V689 VanDerWaalsContact CG1-CG2 3.46Å | ||
| 685 | C | 82.1 | Confident | 82.9 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 49% | 0.493 | 38% | 0.382 | S | S | . | . | trans | -72.8 | 144.7 | -178.5 | -46 | 0 | 0 | 0 | 0 | 112.5 | E687 R688 V689 | C685-E687 WeakPolarHBondContact CB-OE2 3.18Å; C685-E687 PolarHBondContact O-N 2.93Å; C685-R688 PolarHBondContact O-N 2.94Å; C685-R688 VanDerWaalsContact O-N 3.11Å; C685-V689 WeakPolarHBondContact O-CG2 3.44Å; C685-V689 PolarHBondContact O-N 3.21Å | ||
| 686 | R | 85.3 | Confident | 83.4 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -45.1 | -172.7 | -175.6 | 174.9 | -179.2 | 152.7 | 8.2 | 112.9 | F607 P608 R615 R688 V689 E690 | F607-R686 HydrophobicContact CB-CG 4.47Å; F607-R686 HydrophobicContact CD1-CB 3.9Å; F607-R686 HydrophobicContact CD1-CG 3.91Å; F607-R686 HydrophobicContact CE1-CB 3.85Å; F607-R686 HydrophobicContact CE1-CG 4.29Å; F607-R686 HydrophobicContact CG-CG 4.14Å; F607-R686 HydrophobicContact CZ-CB 4.49Å; P608-R686 PolarHBondContact O-NH1 3.1Å; R615-R686 PolarHBondContact O-NH2 3.42Å; R686-R688 PolarHBondContact O-N 2.79Å; R686-V689 PolarHBondContact O-N 2.99Å; R686-E690 HydrophobicContact CG-CG 4.31Å; R686-E690 WeakPolarHBondContact CG-OE2 3.47Å; R686-E690 IonicContact CZ-OE1 3.73Å; R686-E690 VanDerWaalsContact CZ-OE1 3.31Å; R686-E690 IonicContact NE-OE1 3.99Å; R686-E690 PolarHBondContact NE-OE1 3.13Å; R686-E690 IonicContact NE-OE2 3.59Å; R686-E690 PolarHBondContact NE-OE2 3.25Å; R686-E690 IonicContact NH2-OE1 3.75Å; R686-E690 PolarHBondContact NH2-OE1 2.78Å; R686-E690 WeakPolarHBondContact O-CG 3.43Å; R686-E690 PolarHBondContact O-N 3.38Å; R686-E690 VanDerWaalsContact O-N 3.17Å |
| 687 | E | 84 | Confident | 84.1 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63 | -27.1 | -177 | -50.7 | 72.3 | -159.4 | 0 | 0 | 112.2 | C685 Q691 | C685-E687 WeakPolarHBondContact CB-OE2 3.18Å; C685-E687 PolarHBondContact O-N 2.93Å; E687-Q691 VanDerWaalsContact O-CG 3.31Å; E687-Q691 WeakPolarHBondContact O-CG 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.4Å |
| 688 | R | 85.1 | Confident | 84.9 | Confident | 193 Ų | 193 | 65.2 Ų | 65.2 | 73% | 0.728 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -85.1 | -26 | -176.8 | -142.3 | 174.1 | -169.3 | 168.9 | 2.8 | 112.1 | C685 R686 | C685-R688 PolarHBondContact O-N 2.94Å; C685-R688 VanDerWaalsContact O-N 3.11Å; R686-R688 PolarHBondContact O-N 2.79Å |
| 689 | V | 86.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.5 | -38.9 | 176.5 | -126.8 | 0 | 0 | 0 | 0 | 111.7 | F607 I619 I630 K672 L674 V684 C685 R686 Q691 | F607-V689 HydrophobicContact CE2-CG2 3.9Å; F607-V689 HydrophobicContact CZ-CG2 3.95Å; I619-V689 HydrophobicContact CD1-CG1 4.15Å; I630-V689 HydrophobicContact CD1-CB 3.55Å; I630-V689 HydrophobicContact CD1-CG1 3.57Å; I630-V689 HydrophobicContact CG2-CG1 4.49Å; K672-V689 WeakPolarHBondContact CE-O 3.31Å; K672-V689 PolarHBondContact NZ-O 3.34Å; L674-V689 HydrophobicContact CD1-CG1 3.87Å; L674-V689 HydrophobicContact CD2-CG1 3.84Å; V684-V689 HydrophobicContact CG1-CB 4.38Å; V684-V689 HydrophobicContact CG1-CG1 4.22Å; V684-V689 HydrophobicContact CG1-CG2 3.46Å; V684-V689 VanDerWaalsContact CG1-CG2 3.46Å; C685-V689 WeakPolarHBondContact O-CG2 3.44Å; C685-V689 PolarHBondContact O-N 3.21Å; R686-V689 PolarHBondContact O-N 2.99Å; V689-Q691 VanDerWaalsContact C-N 3.27Å; V689-Q691 PolarHBondContact O-N 2.72Å |
| 690 | E | 88.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -76.9 | -1.3 | -173.6 | -66.5 | -179.5 | 152 | 0 | 0 | 114.5 | R615 S617 L642 R686 L693 | R615-E690 IonicContact CZ-OE2 3.26Å; R615-E690 VanDerWaalsContact NE-CD 3.29Å; R615-E690 IonicContact NE-OE1 3.67Å; R615-E690 PolarHBondContact NE-OE1 3.38Å; R615-E690 IonicContact NE-OE2 3.96Å; R615-E690 PolarHBondContact NE-OE2 2.68Å; R615-E690 IonicContact NH2-OE2 3.91Å; R615-E690 PolarHBondContact NH2-OE2 3.2Å; S617-E690 WeakPolarHBondContact OG-CG 3.39Å; S617-E690 PolarHBondContact OG-OE1 3.03Å; L642-E690 WeakPolarHBondContact CB-O 3.37Å; L642-E690 HydrophobicContact CD2-CB 4.46Å; R686-E690 HydrophobicContact CG-CG 4.31Å; R686-E690 WeakPolarHBondContact CG-OE2 3.47Å; R686-E690 IonicContact CZ-OE1 3.73Å; R686-E690 VanDerWaalsContact CZ-OE1 3.31Å; R686-E690 IonicContact NE-OE1 3.99Å; R686-E690 PolarHBondContact NE-OE1 3.13Å; R686-E690 IonicContact NE-OE2 3.59Å; R686-E690 PolarHBondContact NE-OE2 3.25Å; R686-E690 IonicContact NH2-OE1 3.75Å; R686-E690 PolarHBondContact NH2-OE1 2.78Å; R686-E690 WeakPolarHBondContact O-CG 3.43Å; R686-E690 PolarHBondContact O-N 3.38Å; R686-E690 VanDerWaalsContact O-N 3.17Å; E690-L693 WeakPolarHBondContact O-CG 3.28Å |
| 691 | Q | 87.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -83.9 | 147.7 | 178 | -74.3 | 168.9 | 22.5 | 0 | 0 | 113.8 | K672 E687 V689 L693 | K672-Q691 PolarHBondContact NZ-O 3Å; E687-Q691 VanDerWaalsContact O-CG 3.31Å; E687-Q691 WeakPolarHBondContact O-CG 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.4Å; V689-Q691 VanDerWaalsContact C-N 3.27Å; V689-Q691 PolarHBondContact O-N 2.72Å; Q691-L693 PolarHBondContact O-N 3.14Å |
| 692 | N | 90.8 | Very high | 87.2 | Confident | 110 Ų | 110 | 53.4 Ų | 53.4 | 59% | 0.588 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 56.6 | 43.6 | 172.6 | -62.7 | -53.4 | 0 | 0 | 0 | 113.6 | L642 R644 | L642-N692 PolarHBondContact O-N 3.1Å; R644-N692 HydrophobicContact CG-CB 4.01Å |
| 693 | L | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -70 | 166.2 | 174.7 | -55.2 | 178.2 | 0 | 0 | 0 | 111.3 | I630 T632 L642 C643 R644 A670 K672 E690 Q691 | I630-L693 HydrophobicContact CG2-CD2 4.23Å; T632-L693 HydrophobicContact CG2-CD1 4.06Å; L642-L693 HydrophobicContact CB-CD1 4.25Å; L642-L693 PolarHBondContact O-N 3.41Å; C643-L693 CarbonylContact C-O 3.55Å; C643-L693 WeakPolarHBondContact CA-O 3.38Å; R644-L693 PolarHBondContact N-O 2.71Å; A670-L693 HydrophobicContact CB-CB 4.01Å; A670-L693 HydrophobicContact CB-CD1 4.05Å; K672-L693 HydrophobicContact CB-CD2 3.77Å; K672-L693 HydrophobicContact CD-CD2 4.45Å; E690-L693 WeakPolarHBondContact O-CG 3.28Å; Q691-L693 PolarHBondContact O-N 3.14Å |
| 694 | R | 93.8 | Very high | 87.7 | Confident | 127 Ų | 127 | 50.2 Ų | 50.2 | 48% | 0.479 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.3 | 166.3 | -61.9 | -174.9 | 167.3 | -175.6 | -6.3 | 108.4 | T647 A670 W671 | T647-R694 HydrophobicContact CG2-CB 4.22Å; T647-R694 HydrophobicContact CG2-CG 4.14Å; A670-R694 CarbonylContact C-O 3.54Å; A670-R694 WeakPolarHBondContact CA-O 3.15Å; A670-R694 WeakPolarHBondContact CB-O 3.46Å; W671-R694 PolarHBondContact N-O 3.17Å; W671-R694 PolarHBondContact O-N 2.91Å |
| 695 | F | 94.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 149.2 | 173.5 | -176.1 | -111 | 0 | 0 | 0 | 111.3 | Y504 F509 T647 P649 F652 A668 L669 G697 L698 | Y504-F695 AromaticContact CD2-CD1 3.81Å; Y504-F695 HydrophobicContact CD2-CD1 3.81Å; Y504-F695 HydrophobicContact CD2-CE1 4.37Å; Y504-F695 HydrophobicContact CG-CD1 4.18Å; F509-F695 AromaticContact CE1-CE1 3.67Å; F509-F695 HydrophobicContact CE1-CE1 3.67Å; F509-F695 AromaticContact CE1-CZ 3.85Å; F509-F695 HydrophobicContact CE1-CZ 3.85Å; F509-F695 HydrophobicContact CZ-CE1 4.23Å; F509-F695 HydrophobicContact CZ-CZ 4.28Å; T647-F695 WeakPolarHBondContact O-CB 3.19Å; T647-F695 PolarHBondContact OG1-N 3.28Å; P649-F695 HydrophobicContact CG-CD1 4.29Å; P649-F695 HydrophobicContact CG-CE1 4.05Å; F652-F695 HydrophobicContact CD2-CE2 4.37Å; F652-F695 HydrophobicContact CD2-CZ 4.06Å; F652-F695 HydrophobicContact CE2-CD2 4.5Å; F652-F695 AromaticContact CE2-CE2 3.73Å; F652-F695 HydrophobicContact CE2-CE2 3.73Å; F652-F695 AromaticContact CE2-CZ 3.8Å; F652-F695 HydrophobicContact CE2-CZ 3.8Å; A668-F695 HydrophobicContact CB-CE2 3.99Å; L669-F695 WeakPolarHBondContact O-CD2 3.48Å; F695-G697 VanDerWaalsContact CE2-O 3.31Å; F695-G697 WeakPolarHBondContact CE2-O 3.21Å; F695-G697 VanDerWaalsContact CZ-C 3.44Å; F695-G697 WeakPolarHBondContact CZ-O 3.45Å; F695-L698 HydrophobicContact CE2-CD2 4.17Å; F695-L698 HydrophobicContact CZ-CD2 3.91Å; F695-L698 HydrophobicContact CZ-CG 4.12Å |
| 696 | L | 92.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -26.7 | -179.8 | -76.3 | 174.9 | 0 | 0 | 0 | 114 | Y504 P523 L524 C527 Y631 L669 W671 | Y504-L696 WeakPolarHBondContact CB-O 3.38Å; Y504-L696 PolarHBondContact N-O 3.27Å; P523-L696 HydrophobicContact CB-CD2 3.92Å; P523-L696 WeakPolarHBondContact O-CD1 3.22Å; L524-L696 HydrophobicContact CD1-CB 4.22Å; C527-L696 HydrophobicContact CB-CD1 3.87Å; Y631-L696 HydrophobicContact CD1-CD1 4.43Å; L669-L696 HydrophobicContact CB-CB 4.04Å; L669-L696 PolarHBondContact O-N 2.84Å; W671-L696 HydrophobicContact CB-CD1 3.87Å; W671-L696 HydrophobicContact CB-CG 4.46Å; W671-L696 VanDerWaalsContact CD1-CD2 3.46Å; W671-L696 HydrophobicContact CG-CD1 4.03Å; W671-L696 HydrophobicContact CG-CD2 4.27Å; W671-L696 HydrophobicContact CG-CG 4.25Å |
| 697 | G | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -176.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I502 L669 F695 | I502-G697 CarbonylContact O-C 3.46Å; I502-G697 WeakPolarHBondContact O-CA 3.4Å; L669-G697 PolarHBondContact N-O 2.9Å; F695-G697 VanDerWaalsContact CE2-O 3.31Å; F695-G697 WeakPolarHBondContact CE2-O 3.21Å; F695-G697 VanDerWaalsContact CZ-C 3.44Å; F695-G697 WeakPolarHBondContact CZ-O 3.45Å |
| 698 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.2 | 175.7 | -61.7 | 177.7 | 0 | 0 | 0 | 110.8 | I501 I502 F509 F652 V666 L667 A668 F695 | I501-L698 CarbonylContact C-O 3.56Å; I501-L698 WeakPolarHBondContact CA-O 3.49Å; I502-L698 HydrophobicContact CB-CB 4.41Å; I502-L698 PolarHBondContact N-O 2.99Å; I502-L698 PolarHBondContact O-N 3.39Å; F509-L698 HydrophobicContact CE1-CD1 3.92Å; F509-L698 HydrophobicContact CE1-CG 3.86Å; F509-L698 HydrophobicContact CZ-CD1 3.77Å; F509-L698 HydrophobicContact CZ-CG 4.12Å; F652-L698 HydrophobicContact CE2-CD2 4.12Å; V666-L698 HydrophobicContact CG1-CB 3.99Å; V666-L698 HydrophobicContact CG1-CD1 4.14Å; V666-L698 HydrophobicContact CG1-CD2 3.96Å; V666-L698 HydrophobicContact CG1-CG 4.24Å; L667-L698 CarbonylContact O-C 3.48Å; L667-L698 WeakPolarHBondContact O-CA 3.39Å; A668-L698 HydrophobicContact CB-CD2 4.03Å; F695-L698 HydrophobicContact CE2-CD2 4.17Å; F695-L698 HydrophobicContact CZ-CD2 3.91Å; F695-L698 HydrophobicContact CZ-CG 4.12Å |
| 699 | L | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.8 | 173.2 | 179.3 | 68.5 | 0 | 0 | 0 | 108.5 | M498 I501 L528 M550 V666 L667 L669 | M498-L699 HydrophobicContact CE-CD1 3.55Å; M498-L699 HydrophobicContact SD-CD1 3.54Å; M498-L699 VanDerWaalsContact SD-CD1 3.54Å; M498-L699 HydrophobicContact SD-CG 4.29Å; I501-L699 HydrophobicContact CD1-CD1 3.79Å; I501-L699 HydrophobicContact CG1-CD1 3.6Å; L528-L699 HydrophobicContact CD2-CD1 4.03Å; M550-L699 HydrophobicContact CE-CD2 3.6Å; M550-L699 HydrophobicContact CG-CD2 4.14Å; M550-L699 HydrophobicContact SD-CD2 3.96Å; V666-L699 CarbonylContact C-O 3.53Å; V666-L699 WeakPolarHBondContact CA-O 3.2Å; L667-L699 HydrophobicContact CB-CB 4.31Å; L667-L699 HydrophobicContact CD1-CD2 4.38Å; L667-L699 PolarHBondContact N-O 3.01Å; L667-L699 PolarHBondContact O-N 3.42Å; L669-L699 HydrophobicContact CD1-CB 4.43Å; L669-L699 HydrophobicContact CG-CB 4.47Å |
| 700 | I | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.2 | -171.2 | -55 | -179.5 | 0 | 0 | 0 | 110.2 | W499 G500 I502 Y659 Y664 | W499-I700 HydrophobicContact CB-CB 4.46Å; W499-I700 HydrophobicContact CB-CG2 4.04Å; W499-I700 WeakPolarHBondContact CB-O 3.4Å; W499-I700 HydrophobicContact CD2-CG2 4.12Å; W499-I700 HydrophobicContact CE3-CB 3.98Å; W499-I700 HydrophobicContact CE3-CD1 4.18Å; W499-I700 HydrophobicContact CE3-CG2 3.83Å; W499-I700 HydrophobicContact CG-CG2 4.24Å; W499-I700 HydrophobicContact CZ3-CD1 4.1Å; W499-I700 PolarHBondContact N-O 3.1Å; G500-I700 PolarHBondContact N-O 3.32Å; G500-I700 PolarHBondContact O-N 3.1Å; I502-I700 HydrophobicContact CD1-CD1 3.53Å; I502-I700 HydrophobicContact CG1-CD1 3.73Å; Y659-I700 HydrophobicContact CD1-CD1 3.71Å; Y659-I700 HydrophobicContact CD1-CG2 4.28Å; Y659-I700 HydrophobicContact CD2-CD1 3.81Å; Y659-I700 HydrophobicContact CE1-CD1 3.82Å; Y659-I700 HydrophobicContact CE2-CD1 3.95Å; Y659-I700 HydrophobicContact CG-CD1 3.7Å; Y664-I700 HydrophobicContact CD1-CG2 4.01Å; Y664-I700 HydrophobicContact CG-CG2 3.83Å |
| 701 | M | 86.1 | Confident | 90.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.2 | -178.1 | -62.9 | 167.8 | -67.7 | 0 | 0 | 112.2 | L496 D497 M498 L546 Y664 R665 L667 | L496-M701 HydrophobicContact CB-CB 4.32Å; L496-M701 HydrophobicContact CB-SD 4.38Å; L496-M701 HydrophobicContact CD2-CB 4.2Å; D497-M701 CarbonylContact O-C 3.5Å; D497-M701 WeakPolarHBondContact O-CA 3.48Å; D497-M701 WeakPolarHBondContact O-CB 3.42Å; M498-M701 HydrophobicContact SD-CG 3.87Å; L546-M701 HydrophobicContact CD1-CE 4.05Å; L546-M701 HydrophobicContact CD1-SD 4.39Å; L546-M701 HydrophobicContact CD2-CE 3.92Å; L546-M701 HydrophobicContact CD2-SD 3.67Å; L546-M701 HydrophobicContact CG-CE 3.91Å; L546-M701 HydrophobicContact CG-SD 3.62Å; Y664-M701 WeakPolarHBondContact CA-O 3.36Å; R665-M701 HydrophobicContact CG-CE 4.23Å; R665-M701 PolarHBondContact N-O 3.35Å; R665-M701 PolarHBondContact O-N 3.23Å; R665-M701 VanDerWaalsContact O-N 3.07Å; L667-M701 HydrophobicContact CD1-CE 3.79Å; L667-M701 HydrophobicContact CG-CE 3.99Å |
| 702 | E | 81.9 | Confident | 90.6 | Very high | 64 Ų | 64 | 42 Ų | 42 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.4 | -178 | -165.4 | 173.3 | 121.8 | 0 | 0 | 111.6 | D497 Y664 | D497-E702 PolarHBondContact N-O 3.36Å; D497-E702 VanDerWaalsContact N-O 3.13Å; D497-E702 PolarHBondContact O-N 2.96Å; Y664-E702 HydrophobicContact CD1-CB 4.11Å; Y664-E702 HydrophobicContact CD1-CG 4.33Å; Y664-E702 HydrophobicContact CE1-CB 3.94Å; Y664-E702 HydrophobicContact CE1-CG 3.88Å |
| 703 | N | 76.9 | Confident | 90.8 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | trans | -101.5 | 84.6 | 171.4 | -88 | -70 | 0 | 0 | 0 | 108.9 | K487 T492 L496 | K487-N703 PolarHBondContact NZ-OD1 3.31Å; T492-N703 HydrophobicContact CG2-CB 4.26Å; L496-N703 WeakPolarHBondContact CD2-OD1 3.32Å | ||
| 704 | R | 83.1 | Confident | 90.9 | Very high | 138 Ų | 138 | 40.5 Ų | 40.5 | 52% | 0.521 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -70.9 | 134.5 | -170.1 | -155.7 | 179.6 | -140.8 | 178.4 | 5.6 | 112.8 | T492 E493 | T492-R704 CarbonylContact C-O 3.6Å; T492-R704 WeakPolarHBondContact CA-O 3.22Å; T492-R704 WeakPolarHBondContact CB-O 3.27Å; E493-R704 PolarHBondContact N-O 3.4Å; E493-R704 VanDerWaalsContact OE2-CD 3.27Å; E493-R704 WeakPolarHBondContact OE2-CD 3.31Å |
| 705 | L | 88.2 | Confident | 90.9 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 20% | 0.199 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 139.1 | 174.3 | -82.7 | 175.7 | 0 | 0 | 0 | 112.4 | L491 T492 T709 V737 D740 C741 | L491-L705 WeakPolarHBondContact O-CD2 3.15Å; T492-L705 HydrophobicContact CG2-CD2 4.39Å; L705-T709 HydrophobicContact CD2-CG2 3.97Å; L705-V737 HydrophobicContact CD2-CG1 3.82Å; L705-D740 VanDerWaalsContact CD1-C 3.42Å; L705-D740 HydrophobicContact CD1-CB 3.61Å; L705-D740 WeakPolarHBondContact CD1-O 3.42Å; L705-C741 HydrophobicContact CD1-CB 4.03Å; L705-C741 HydrophobicContact CD2-CB 4.13Å |
| 706 | K | 90.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 36.2 Ų | 36.2 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 138.3 | 167.8 | -74 | 177.5 | 175.6 | -179.3 | 0 | 109.9 | G489 L491 T492 E493 D494 E708 T709 Q1079 | G489-K706 PolarHBondContact O-NZ 3.3Å; L491-K706 PolarHBondContact O-N 3.48Å; T492-K706 WeakPolarHBondContact O-CE 3.38Å; E493-K706 HydrophobicContact CG-CG 3.84Å; D494-K706 VanDerWaalsContact OD1-CE 3.27Å; D494-K706 WeakPolarHBondContact OD1-CE 3.31Å; D494-K706 IonicContact OD1-NZ 2.71Å; D494-K706 PolarHBondContact OD1-NZ 3.38Å; K706-E708 VanDerWaalsContact C-N 3.25Å; K706-E708 PolarHBondContact O-N 3.23Å; K706-E708 VanDerWaalsContact O-N 3.14Å; K706-T709 VanDerWaalsContact O-CB 3.27Å; K706-T709 WeakPolarHBondContact O-CB 3.47Å; K706-T709 PolarHBondContact O-N 3.22Å; K706-T709 PolarHBondContact O-OG1 3.14Å; K706-Q1079 WeakPolarHBondContact CD-O 3.21Å; K706-Q1079 PolarHBondContact NZ-O 3.22Å |
| 707 | P | 91.4 | Very high | 90.9 | Very high | 109 Ų | 109 | 39.5 Ų | 39.5 | 71% | 0.708 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.6 | -165.8 | 24.4 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 708 | E | 92.4 | Very high | 90.9 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.4 | 176.3 | -49.9 | 90.7 | 153.8 | 0 | 0 | 113.4 | K706 T710 Q711 V712 N1080 | K706-E708 VanDerWaalsContact C-N 3.25Å; K706-E708 PolarHBondContact O-N 3.23Å; K706-E708 VanDerWaalsContact O-N 3.14Å; E708-T710 PolarHBondContact O-N 3.44Å; E708-Q711 PolarHBondContact O-N 2.85Å; E708-V712 WeakPolarHBondContact O-CG2 3.41Å; E708-V712 PolarHBondContact O-N 3.34Å; E708-N1080 VanDerWaalsContact CD-ND2 3.29Å; E708-N1080 PolarHBondContact OE1-ND2 2.69Å |
| 709 | T | 94.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -56.4 | -165.1 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | L491 L705 K706 Q711 V712 I713 C741 I1081 | L491-T709 HydrophobicContact CB-CG2 4.13Å; L491-T709 HydrophobicContact CD2-CG2 3.5Å; L491-T709 HydrophobicContact CG-CG2 4.41Å; L491-T709 PolarHBondContact O-OG1 3.23Å; L705-T709 HydrophobicContact CD2-CG2 3.97Å; K706-T709 VanDerWaalsContact O-CB 3.27Å; K706-T709 WeakPolarHBondContact O-CB 3.47Å; K706-T709 PolarHBondContact O-N 3.22Å; K706-T709 PolarHBondContact O-OG1 3.14Å; T709-Q711 VanDerWaalsContact C-N 3.26Å; T709-Q711 PolarHBondContact O-N 3.05Å; T709-V712 PolarHBondContact O-N 3.46Å; T709-V712 VanDerWaalsContact O-N 3.09Å; T709-I713 HydrophobicContact CG2-CG1 4.35Å; T709-I713 WeakPolarHBondContact O-CG1 3.39Å; T709-I713 PolarHBondContact O-N 3.36Å; T709-C741 HydrophobicContact CG2-CB 3.81Å; T709-I1081 HydrophobicContact CG2-CD1 4.11Å |
| 710 | T | 94.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -37.2 | -179.4 | -46.9 | 0 | 0 | 0 | 0 | 112 | E708 K714 D740 E742 | E708-T710 PolarHBondContact O-N 3.44Å; T710-K714 HydrophobicContact CG2-CD 4.42Å; T710-K714 WeakPolarHBondContact O-CB 3.29Å; T710-K714 VanDerWaalsContact O-CG 3.26Å; T710-K714 WeakPolarHBondContact O-CG 3.17Å; T710-K714 PolarHBondContact O-N 3.32Å; T710-D740 PolarHBondContact OG1-O 3.28Å; T710-E742 HydrophobicContact CG2-CB 4.29Å; T710-E742 HydrophobicContact CG2-CG 4.16Å |
| 711 | Q | 94.7 | Very high | 90.9 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72.2 | -32.5 | 179 | -175.8 | 55.9 | 35 | 0 | 0 | 112.7 | E708 T709 T715 | E708-Q711 PolarHBondContact O-N 2.85Å; T709-Q711 VanDerWaalsContact C-N 3.26Å; T709-Q711 PolarHBondContact O-N 3.05Å; Q711-T715 WeakPolarHBondContact O-CB 3.34Å; Q711-T715 PolarHBondContact O-N 3.02Å; Q711-T715 VanDerWaalsContact O-N 3.16Å; Q711-T715 PolarHBondContact O-OG1 2.96Å |
| 712 | V | 95.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72 | -45.2 | 173.1 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | E708 T709 K714 T715 L716 I1081 P1085 | E708-V712 WeakPolarHBondContact O-CG2 3.41Å; E708-V712 PolarHBondContact O-N 3.34Å; T709-V712 PolarHBondContact O-N 3.46Å; T709-V712 VanDerWaalsContact O-N 3.09Å; V712-K714 VanDerWaalsContact C-N 3.34Å; V712-K714 PolarHBondContact O-N 2.95Å; V712-T715 WeakPolarHBondContact O-CA 3.5Å; V712-T715 WeakPolarHBondContact O-CB 3.45Å; V712-T715 PolarHBondContact O-N 3.33Å; V712-L716 HydrophobicContact CG1-CD1 4.13Å; V712-L716 HydrophobicContact CG1-CG 4.48Å; V712-L716 WeakPolarHBondContact O-CG 3.46Å; V712-L716 PolarHBondContact O-N 2.96Å; V712-I1081 HydrophobicContact CB-CD1 3.7Å; V712-I1081 HydrophobicContact CB-CG1 3.87Å; V712-I1081 HydrophobicContact CG1-CB 4.42Å; V712-I1081 HydrophobicContact CG1-CD1 3.56Å; V712-I1081 HydrophobicContact CG1-CG1 3.83Å; V712-I1081 HydrophobicContact CG2-CG1 4.17Å; V712-P1085 HydrophobicContact CG1-CG 3.97Å; V712-P1085 HydrophobicContact CG2-CG 4.42Å |
| 713 | I | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.2 | -63.8 | -60.8 | 0 | 0 | 0 | 110.9 | F485 L491 T709 T715 L716 R717 P723 C741 M743 I1081 | F485-I713 HydrophobicContact CD2-CD1 4.42Å; F485-I713 HydrophobicContact CE2-CD1 4.03Å; F485-I713 HydrophobicContact CZ-CD1 4.37Å; L491-I713 HydrophobicContact CD2-CD1 4.39Å; T709-I713 HydrophobicContact CG2-CG1 4.35Å; T709-I713 WeakPolarHBondContact O-CG1 3.39Å; T709-I713 PolarHBondContact O-N 3.36Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.24Å; I713-L716 PolarHBondContact O-N 2.99Å; I713-L716 VanDerWaalsContact O-N 3.15Å; I713-R717 PolarHBondContact O-N 3.26Å; I713-P723 HydrophobicContact CD1-CB 4.07Å; I713-P723 HydrophobicContact CG2-CB 4.5Å; I713-P723 HydrophobicContact CG2-CG 4.27Å; I713-C741 WeakPolarHBondContact CB-O 3.44Å; I713-C741 HydrophobicContact CG1-CB 4.39Å; I713-C741 WeakPolarHBondContact CG2-O 3.39Å; I713-M743 HydrophobicContact CD1-CE 4.16Å; I713-M743 HydrophobicContact CG2-CB 4.16Å; I713-I1081 HydrophobicContact CD1-CD1 4.15Å; I713-I1081 HydrophobicContact CG1-CD1 4.32Å |
| 714 | K | 94.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.8 | -45.4 | 169.8 | -78.4 | 171.1 | 177.2 | 173 | 0 | 113 | T710 V712 L716 R717 Y718 E742 | T710-K714 HydrophobicContact CG2-CD 4.42Å; T710-K714 WeakPolarHBondContact O-CB 3.29Å; T710-K714 VanDerWaalsContact O-CG 3.26Å; T710-K714 WeakPolarHBondContact O-CG 3.17Å; T710-K714 PolarHBondContact O-N 3.32Å; V712-K714 VanDerWaalsContact C-N 3.34Å; V712-K714 PolarHBondContact O-N 2.95Å; K714-L716 VanDerWaalsContact C-N 3.3Å; K714-L716 PolarHBondContact O-N 2.99Å; K714-R717 PolarHBondContact O-N 3.49Å; K714-Y718 WeakPolarHBondContact O-CB 3.41Å; K714-Y718 PolarHBondContact O-N 3.38Å; K714-E742 WeakPolarHBondContact CE-OE1 3.17Å; K714-E742 WeakPolarHBondContact CE-OE2 3.27Å; K714-E742 VanDerWaalsContact NZ-CD 3.26Å; K714-E742 IonicContact NZ-OE1 2.79Å; K714-E742 PolarHBondContact NZ-OE1 3.47Å; K714-E742 IonicContact NZ-OE2 2.75Å; K714-E742 PolarHBondContact NZ-OE2 2.88Å |
| 715 | T | 94.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 45.4 Ų | 45.4 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.4 | -34.8 | 179.7 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | Q711 V712 I713 A719 P1085 | Q711-T715 WeakPolarHBondContact O-CB 3.34Å; Q711-T715 PolarHBondContact O-N 3.02Å; Q711-T715 VanDerWaalsContact O-N 3.16Å; Q711-T715 PolarHBondContact O-OG1 2.96Å; V712-T715 WeakPolarHBondContact O-CA 3.5Å; V712-T715 WeakPolarHBondContact O-CB 3.45Å; V712-T715 PolarHBondContact O-N 3.33Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.24Å; T715-A719 VanDerWaalsContact O-CB 3.31Å; T715-A719 WeakPolarHBondContact O-CB 3.45Å; T715-A719 PolarHBondContact O-N 3.3Å; T715-P1085 HydrophobicContact CG2-CB 4.31Å |
| 716 | L | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.8 | -46.3 | 176.2 | -65.2 | 172 | 0 | 0 | 0 | 112.1 | A483 F485 V712 I713 K714 Y718 A719 N720 I721 P1085 I1088 L1155 | A483-L716 HydrophobicContact CB-CD1 4.37Å; F485-L716 HydrophobicContact CE2-CD1 4.11Å; F485-L716 HydrophobicContact CZ-CD1 3.71Å; V712-L716 HydrophobicContact CG1-CD1 4.13Å; V712-L716 HydrophobicContact CG1-CG 4.48Å; V712-L716 WeakPolarHBondContact O-CG 3.46Å; V712-L716 PolarHBondContact O-N 2.96Å; I713-L716 PolarHBondContact O-N 2.99Å; I713-L716 VanDerWaalsContact O-N 3.15Å; K714-L716 VanDerWaalsContact C-N 3.3Å; K714-L716 PolarHBondContact O-N 2.99Å; L716-Y718 VanDerWaalsContact C-N 3.35Å; L716-Y718 PolarHBondContact O-N 2.88Å; L716-A719 CarbonylContact O-C 3.54Å; L716-A719 PolarHBondContact O-N 3.39Å; L716-A719 VanDerWaalsContact O-N 3.1Å; L716-N720 PolarHBondContact O-N 2.73Å; L716-I721 CarbonylContact C-O 3.47Å; L716-I721 HydrophobicContact CB-CB 4.36Å; L716-I721 HydrophobicContact CD2-CB 4.28Å; L716-I721 HydrophobicContact CD2-CD1 4.1Å; L716-I721 HydrophobicContact CD2-CG2 4.32Å; L716-I721 PolarHBondContact O-N 2.76Å; L716-I721 VanDerWaalsContact O-O 3.12Å; L716-P1085 HydrophobicContact CD2-CB 4.47Å; L716-I1088 HydrophobicContact CD2-CD1 4.31Å; L716-L1155 HydrophobicContact CD2-CD2 4.31Å |
| 717 | R | 92.4 | Very high | 93.6 | Very high | 87 Ų | 87 | 42.9 Ų | 42.9 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 173.6 | -73.1 | -176.4 | 82 | 176.1 | 4.6 | 110.8 | I713 K714 A719 N720 P723 E742 D748 | I713-R717 PolarHBondContact O-N 3.26Å; K714-R717 PolarHBondContact O-N 3.49Å; R717-A719 VanDerWaalsContact C-N 3.3Å; R717-A719 PolarHBondContact O-N 2.95Å; R717-N720 PolarHBondContact O-N 3.36Å; R717-P723 HydrophobicContact CG-CG 4.1Å; R717-E742 WeakPolarHBondContact CD-O 3.3Å; R717-E742 PolarHBondContact NH1-O 2.9Å; R717-D748 IonicContact NH2-OD2 2.71Å; R717-D748 PolarHBondContact NH2-OD2 3.05Å |
| 718 | Y | 91.9 | Very high | 93 | Very high | 173 Ų | 173 | 39.4 Ų | 39.4 | 68% | 0.678 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.5 | -36.2 | 176.2 | -179 | -90.7 | 0 | 0 | 0 | 113.1 | K714 L716 N720 V1157 | K714-Y718 WeakPolarHBondContact O-CB 3.41Å; K714-Y718 PolarHBondContact O-N 3.38Å; L716-Y718 VanDerWaalsContact C-N 3.35Å; L716-Y718 PolarHBondContact O-N 2.88Å; Y718-N720 PolarHBondContact O-N 3.43Å; Y718-V1157 HydrophobicContact CE1-CG2 4.48Å |
| 719 | A | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T715 L716 R717 I721 L1155 S1156 | T715-A719 VanDerWaalsContact O-CB 3.31Å; T715-A719 WeakPolarHBondContact O-CB 3.45Å; T715-A719 PolarHBondContact O-N 3.3Å; L716-A719 CarbonylContact O-C 3.54Å; L716-A719 PolarHBondContact O-N 3.39Å; L716-A719 VanDerWaalsContact O-N 3.1Å; R717-A719 VanDerWaalsContact C-N 3.3Å; R717-A719 PolarHBondContact O-N 2.95Å; A719-I721 HydrophobicContact CB-CD1 4.28Å; A719-I721 HydrophobicContact CB-CG1 4.09Å; A719-I721 PolarHBondContact O-N 2.93Å; A719-L1155 HydrophobicContact CB-CB 4.14Å; A719-L1155 HydrophobicContact CB-CD2 3.53Å; A719-L1155 HydrophobicContact CB-CG 3.62Å; A719-S1156 WeakPolarHBondContact CB-O 3.27Å |
| 720 | N | 90 | Very high | 91.3 | Very high | 114 Ų | 114 | 38 Ų | 38 | 61% | 0.61 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37 | -173.8 | -171.1 | 42.8 | 0 | 0 | 0 | 112.8 | L716 R717 Y718 V1157 | L716-N720 PolarHBondContact O-N 2.73Å; R717-N720 PolarHBondContact O-N 3.36Å; Y718-N720 PolarHBondContact O-N 3.43Å; N720-V1157 HydrophobicContact CB-CG1 3.72Å |
| 721 | I | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -104.5 | 121.9 | 170 | -53.3 | -175.5 | 0 | 0 | 0 | 106.7 | A483 L716 A719 P723 I1088 L1155 | A483-I721 HydrophobicContact CB-CG2 4.32Å; L716-I721 CarbonylContact C-O 3.47Å; L716-I721 HydrophobicContact CB-CB 4.36Å; L716-I721 HydrophobicContact CD2-CB 4.28Å; L716-I721 HydrophobicContact CD2-CD1 4.1Å; L716-I721 HydrophobicContact CD2-CG2 4.32Å; L716-I721 PolarHBondContact O-N 2.76Å; L716-I721 VanDerWaalsContact O-O 3.12Å; A719-I721 HydrophobicContact CB-CD1 4.28Å; A719-I721 HydrophobicContact CB-CG1 4.09Å; A719-I721 PolarHBondContact O-N 2.93Å; I721-P723 WeakPolarHBondContact O-CD 3.48Å; I721-I1088 HydrophobicContact CD1-CD1 3.85Å; I721-I1088 HydrophobicContact CD1-CG2 3.88Å; I721-L1155 HydrophobicContact CD1-CD2 3.9Å | ||
| 722 | R | 93.7 | Very high | 90.1 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 114.6 | -173.2 | 180 | 179.8 | -176.7 | -120.8 | -5.7 | 110.8 | N481 V482 A483 V724 V1013 V1014 G1016 | N481-R722 PolarHBondContact O-N 3.01Å; V482-R722 CarbonylContact C-O 3.55Å; V482-R722 WeakPolarHBondContact CA-O 3.47Å; V482-R722 HydrophobicContact CG2-CB 4.24Å; A483-R722 PolarHBondContact N-O 3.46Å; R722-V724 HydrophobicContact CG-CG2 4.3Å; R722-V1013 PolarHBondContact NH1-O 3.4Å; R722-V1014 PolarHBondContact NH2-O 3.48Å; R722-G1016 PolarHBondContact NH2-O 3.45Å |
| 723 | P | 95.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 146.5 | 168.3 | 33.8 | -36.4 | 0 | 0 | 0 | 111 | A483 F485 I713 R717 I721 M743 | A483-P723 CarbonylContact O-C 3.58Å; A483-P723 WeakPolarHBondContact O-CA 3.44Å; F485-P723 HydrophobicContact CE2-CB 4.44Å; I713-P723 HydrophobicContact CD1-CB 4.07Å; I713-P723 HydrophobicContact CG2-CB 4.5Å; I713-P723 HydrophobicContact CG2-CG 4.27Å; R717-P723 HydrophobicContact CG-CG 4.1Å; I721-P723 WeakPolarHBondContact O-CD 3.48Å; P723-M743 HydrophobicContact CB-CE 4.27Å; P723-M743 HydrophobicContact CB-CG 3.79Å; P723-M743 HydrophobicContact CB-SD 4.21Å; P723-M743 HydrophobicContact CG-CG 3.66Å |
| 724 | V | 96.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 135.6 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | V482 A483 C484 F485 R722 V726 F1019 | V482-V724 HydrophobicContact CG1-CG2 3.86Å; A483-V724 PolarHBondContact O-N 2.95Å; C484-V724 CarbonylContact C-O 3.55Å; C484-V724 WeakPolarHBondContact CA-O 3.17Å; F485-V724 PolarHBondContact N-O 3.05Å; R722-V724 HydrophobicContact CG-CG2 4.3Å; V724-V726 HydrophobicContact CG1-CG2 3.97Å; V724-F1019 HydrophobicContact CG1-CD2 3.68Å; V724-F1019 HydrophobicContact CG1-CE2 3.69Å |
| 725 | M | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 174 | -171.4 | -173 | -70.2 | 0 | 0 | 110.3 | F485 K487 L491 T727 A734 V737 A738 M743 T1017 V1018 F1019 | F485-M725 WeakPolarHBondContact O-CA 3.33Å; K487-M725 HydrophobicContact CB-CG 4.27Å; K487-M725 HydrophobicContact CB-SD 3.91Å; K487-M725 HydrophobicContact CG-CE 4.24Å; K487-M725 HydrophobicContact CG-SD 4.02Å; L491-M725 HydrophobicContact CD1-CE 3.86Å; L491-M725 HydrophobicContact CD1-CG 4.38Å; M725-T727 HydrophobicContact CG-CG2 4.44Å; M725-T727 HydrophobicContact SD-CG2 4.31Å; M725-A734 HydrophobicContact SD-CB 3.81Å; M725-V737 HydrophobicContact CE-CB 4.17Å; M725-V737 HydrophobicContact CE-CG1 3.93Å; M725-A738 HydrophobicContact CE-CB 3.94Å; M725-M743 HydrophobicContact CB-CE 4.08Å; M725-M743 HydrophobicContact CB-SD 3.9Å; M725-M743 HydrophobicContact CE-CE 4.39Å; M725-T1017 PolarHBondContact N-O 3.45Å; M725-V1018 HydrophobicContact CB-CG2 4.36Å; M725-F1019 PolarHBondContact O-N 3.33Å |
| 726 | V | 94.1 | Very high | 88 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 94.8 | -177 | -170.5 | 0 | 0 | 0 | 0 | 110 | C484 F485 V724 F1019 F1022 K1027 L1030 | C484-V726 HydrophobicContact CB-CG2 4.14Å; F485-V726 PolarHBondContact O-N 3.19Å; V724-V726 HydrophobicContact CG1-CG2 3.97Å; V726-F1019 WeakPolarHBondContact CA-O 3.49Å; V726-F1019 HydrophobicContact CG1-CB 4.44Å; V726-F1019 HydrophobicContact CG2-CD2 4.42Å; V726-F1022 HydrophobicContact CG1-CD1 4.33Å; V726-K1027 HydrophobicContact CG1-CB 4.1Å; V726-K1027 HydrophobicContact CG1-CD 4.16Å; V726-K1027 HydrophobicContact CG1-CG 3.88Å; V726-K1027 PolarHBondContact O-NZ 3.23Å; V726-L1030 HydrophobicContact CB-CD2 4.36Å; V726-L1030 HydrophobicContact CG1-CD2 3.82Å; V726-L1030 HydrophobicContact CG2-CD2 3.57Å |
| 727 | T | 88.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | trans | -135.4 | 155.8 | -166.8 | -164.9 | 0 | 0 | 0 | 0 | 114.6 | D486 K487 M725 D729 A734 F1019 A1020 R1021 F1022 | D486-T727 VanDerWaalsContact OD1-CA 3.26Å; D486-T727 WeakPolarHBondContact OD1-CA 3.36Å; D486-T727 WeakPolarHBondContact OD1-CB 3.16Å; D486-T727 PolarHBondContact OD1-OG1 3.4Å; K487-T727 HydrophobicContact CB-CG2 4.11Å; M725-T727 HydrophobicContact CG-CG2 4.44Å; M725-T727 HydrophobicContact SD-CG2 4.31Å; T727-D729 HydrophobicContact CG2-CB 4.14Å; T727-D729 PolarHBondContact OG1-N 2.97Å; T727-A734 HydrophobicContact CG2-CB 3.96Å; T727-F1019 PolarHBondContact N-O 3.31Å; T727-A1020 HydrophobicContact CG2-CB 4.47Å; T727-A1020 CarbonylContact O-C 3.53Å; T727-A1020 WeakPolarHBondContact O-CA 3.47Å; T727-R1021 PolarHBondContact O-N 3.12Å; T727-F1022 PolarHBondContact O-N 3.12Å | ||
| 728 | G | 78.3 | Confident | 87.6 | Confident | 35 Ų | 35 | 22.9 Ų | 22.9 | 36% | 0.361 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -82.2 | -10.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1021 | G728-R1021 WeakPolarHBondContact O-CD 3.32Š|
| 729 | D | 76.5 | Confident | 87.4 | Confident | 13 Ų | 13 | 16.6 Ų | 16.6 | 7% | 0.07 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -73 | 171.4 | -177.1 | -124.1 | -5.3 | 0 | 0 | 0 | 113 | K487 R665 T727 R1021 | K487-D729 IonicContact NZ-OD2 2.91Å; K487-D729 PolarHBondContact NZ-OD2 2.87Å; R665-D729 IonicContact NH1-OD1 3.31Å; R665-D729 PolarHBondContact NH1-OD1 3.37Å; T727-D729 HydrophobicContact CG2-CB 4.14Å; T727-D729 PolarHBondContact OG1-N 2.97Å; D729-R1021 WeakPolarHBondContact O-CD 3.41Å; D729-R1021 PolarHBondContact O-N 3.13Å |
| 730 | N | 75.8 | Confident | 87.3 | Confident | 29 Ų | 29 | 20.8 Ų | 20.8 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | trans | -66.7 | 146.7 | -178.8 | -165.3 | -2 | 0 | 0 | 0 | 112.3 | L732 T733 A734 | N730-L732 PolarHBondContact O-N 3.19Å; N730-T733 PolarHBondContact O-N 3.24Å; N730-A734 WeakPolarHBondContact O-CB 3.44Å; N730-A734 PolarHBondContact O-N 3.06Å | ||
| 731 | M | 82.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.4 | -46.1 | -178.4 | -177.5 | 58.8 | 76.2 | 0 | 0 | 112.9 | A734 L735 L752 A992 I993 V1018 A1020 F1363 | M731-A734 PolarHBondContact O-N 2.91Å; M731-L735 HydrophobicContact CG-CD1 3.88Å; M731-L735 HydrophobicContact CG-CG 4.43Å; M731-L735 WeakPolarHBondContact O-CB 3.42Å; M731-L735 VanDerWaalsContact O-CG 3.22Å; M731-L735 WeakPolarHBondContact O-CG 3.5Å; M731-L735 PolarHBondContact O-N 3.45Å; M731-L735 HydrophobicContact SD-CD1 3.95Å; M731-L735 HydrophobicContact SD-CG 4.05Å; M731-L752 HydrophobicContact CE-CD2 4.41Å; M731-L752 HydrophobicContact CG-CD2 3.72Å; M731-L752 HydrophobicContact SD-CD2 4.05Å; M731-A992 HydrophobicContact CE-CB 4.29Å; M731-A992 HydrophobicContact SD-CB 3.81Å; M731-I993 WeakPolarHBondContact CE-O 3.37Å; M731-V1018 HydrophobicContact SD-CG1 4.25Å; M731-A1020 HydrophobicContact CB-CB 4.28Å; M731-A1020 HydrophobicContact CE-CB 3.84Å; M731-A1020 HydrophobicContact SD-CB 3.95Å; M731-F1363 HydrophobicContact CB-CD1 4.41Å; M731-F1363 HydrophobicContact CB-CE1 4.32Å; M731-F1363 HydrophobicContact CG-CE1 4.47Å |
| 732 | L | 80.6 | Confident | 87.2 | Confident | 27 Ų | 27 | 18.8 Ų | 18.8 | 14% | 0.141 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | -177.9 | -60.9 | 177.9 | 0 | 0 | 0 | 111.9 | T660 N730 A734 L735 S736 F1363 | T660-L732 WeakPolarHBondContact O-CB 3.4Å; N730-L732 PolarHBondContact O-N 3.19Å; L732-A734 PolarHBondContact O-N 3.15Å; L732-L735 PolarHBondContact O-N 2.68Å; L732-S736 PolarHBondContact O-N 2.99Å; L732-F1363 HydrophobicContact CD1-CE1 4.37Å; L732-F1363 HydrophobicContact CD2-CE1 3.86Å; L732-F1363 HydrophobicContact CD2-CZ 4.4Å; L732-F1363 HydrophobicContact CG-CD1 4.28Å; L732-F1363 HydrophobicContact CG-CE1 3.89Å |
| 733 | T | 79 | Confident | 87.1 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.043 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 173.7 | -56 | 0 | 0 | 0 | 0 | 111.7 | N730 L735 S736 V737 | N730-T733 PolarHBondContact O-N 3.24Å; T733-L735 VanDerWaalsContact C-N 3.33Å; T733-L735 PolarHBondContact O-N 2.86Å; T733-S736 PolarHBondContact O-N 2.91Å; T733-V737 WeakPolarHBondContact O-CG2 3.13Å; T733-V737 PolarHBondContact O-N 3.37Å |
| 734 | A | 84.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M725 T727 N730 M731 L732 A738 V1018 A1020 | M725-A734 HydrophobicContact SD-CB 3.81Å; T727-A734 HydrophobicContact CG2-CB 3.96Å; N730-A734 WeakPolarHBondContact O-CB 3.44Å; N730-A734 PolarHBondContact O-N 3.06Å; M731-A734 PolarHBondContact O-N 2.91Å; L732-A734 PolarHBondContact O-N 3.15Å; A734-A738 WeakPolarHBondContact O-CB 3.41Å; A734-A738 PolarHBondContact O-N 2.68Å; A734-V1018 HydrophobicContact CB-CG1 3.67Å; A734-A1020 HydrophobicContact CB-CB 4.04Å |
| 735 | L | 87.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -73.1 | -35.1 | 177.1 | -69.9 | 171.9 | 0 | 0 | 0 | 113.5 | M731 L732 T733 R739 I744 I750 L752 A992 V1018 | M731-L735 HydrophobicContact CG-CD1 3.88Å; M731-L735 HydrophobicContact CG-CG 4.43Å; M731-L735 WeakPolarHBondContact O-CB 3.42Å; M731-L735 VanDerWaalsContact O-CG 3.22Å; M731-L735 WeakPolarHBondContact O-CG 3.5Å; M731-L735 PolarHBondContact O-N 3.45Å; M731-L735 HydrophobicContact SD-CD1 3.95Å; M731-L735 HydrophobicContact SD-CG 4.05Å; L732-L735 PolarHBondContact O-N 2.68Å; T733-L735 VanDerWaalsContact C-N 3.33Å; T733-L735 PolarHBondContact O-N 2.86Å; L735-R739 PolarHBondContact O-N 3.22Å; L735-I744 HydrophobicContact CD2-CD1 4.27Å; L735-I750 HydrophobicContact CD1-CG2 4.23Å; L735-I750 HydrophobicContact CD2-CD1 4.27Å; L735-I750 HydrophobicContact CD2-CG2 3.96Å; L735-L752 HydrophobicContact CD1-CD2 4.22Å; L735-A992 HydrophobicContact CD1-CB 4.5Å; L735-A992 HydrophobicContact CD2-CB 3.82Å; L735-V1018 HydrophobicContact CD2-CB 4.03Å; L735-V1018 HydrophobicContact CD2-CG1 4.21Å; L735-V1018 HydrophobicContact CD2-CG2 3.99Å |
| 736 | S | 84.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 27 Ų | 27 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -58.3 | 169.5 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | G663 L732 T733 A738 R739 D740 | G663-S736 WeakPolarHBondContact CA-OG 3.4Å; G663-S736 PolarHBondContact N-OG 3.19Å; L732-S736 PolarHBondContact O-N 2.99Å; T733-S736 PolarHBondContact O-N 2.91Å; S736-A738 PolarHBondContact O-N 2.82Å; S736-A738 VanDerWaalsContact O-N 3.07Å; S736-R739 CarbonylContact O-C 3.55Å; S736-R739 WeakPolarHBondContact O-CA 3.4Å; S736-R739 WeakPolarHBondContact O-CB 3.43Å; S736-R739 PolarHBondContact O-N 3.38Å; S736-D740 PolarHBondContact O-N 2.92Å; S736-D740 PolarHBondContact OG-OD2 2.94Å |
| 737 | V | 87.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -32.1 | -176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | K487 T492 L705 M725 T733 R739 D740 C741 | K487-V737 HydrophobicContact CD-CG1 4.48Å; K487-V737 HydrophobicContact CD-CG2 4.27Å; K487-V737 HydrophobicContact CG-CB 4.23Å; K487-V737 HydrophobicContact CG-CG1 3.85Å; K487-V737 HydrophobicContact CG-CG2 4.48Å; T492-V737 HydrophobicContact CG2-CG1 4.01Å; T492-V737 HydrophobicContact CG2-CG2 4.45Å; L705-V737 HydrophobicContact CD2-CG1 3.82Å; M725-V737 HydrophobicContact CE-CB 4.17Å; M725-V737 HydrophobicContact CE-CG1 3.93Å; T733-V737 WeakPolarHBondContact O-CG2 3.13Å; T733-V737 PolarHBondContact O-N 3.37Å; V737-R739 VanDerWaalsContact C-N 3.34Å; V737-R739 PolarHBondContact O-N 3.35Å; V737-D740 WeakPolarHBondContact CA-OD2 3.39Å; V737-D740 PolarHBondContact N-OD2 3.39Å; V737-D740 PolarHBondContact O-N 3.03Å; V737-C741 PolarHBondContact O-N 3.48Å; V737-C741 PolarHBondContact O-SG 3.38Å |
| 738 | A | 91 | Very high | 84.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -27.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M725 A734 S736 M743 I744 V1018 | M725-A738 HydrophobicContact CE-CB 3.94Å; A734-A738 WeakPolarHBondContact O-CB 3.41Å; A734-A738 PolarHBondContact O-N 2.68Å; S736-A738 PolarHBondContact O-N 2.82Å; S736-A738 VanDerWaalsContact O-N 3.07Å; A738-M743 HydrophobicContact CB-CB 4.38Å; A738-M743 WeakPolarHBondContact O-CA 3.32Å; A738-M743 VanDerWaalsContact O-CB 3.24Å; A738-M743 WeakPolarHBondContact O-CB 3.43Å; A738-M743 PolarHBondContact O-N 2.93Å; A738-I744 HydrophobicContact CB-CD1 4.01Å; A738-I744 HydrophobicContact CB-CG1 4.22Å; A738-I744 PolarHBondContact O-N 2.81Å; A738-V1018 HydrophobicContact CB-CG2 3.74Å |
| 739 | R | 88.5 | Confident | 84.5 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 16% | 0.158 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -81.2 | -43.3 | 169.1 | -70.3 | 176.2 | 170.4 | -173 | -2.5 | 111.9 | L735 S736 V737 C741 E742 I744 L848 H849 | L735-R739 PolarHBondContact O-N 3.22Å; S736-R739 CarbonylContact O-C 3.55Å; S736-R739 WeakPolarHBondContact O-CA 3.4Å; S736-R739 WeakPolarHBondContact O-CB 3.43Å; S736-R739 PolarHBondContact O-N 3.38Å; V737-R739 VanDerWaalsContact C-N 3.34Å; V737-R739 PolarHBondContact O-N 3.35Å; R739-C741 PolarHBondContact O-N 2.83Å; R739-E742 WeakPolarHBondContact O-CA 3.46Å; R739-E742 PolarHBondContact O-N 3.27Å; R739-I744 HydrophobicContact CG-CB 4.43Å; R739-L848 PolarHBondContact NH1-O 3.02Å; R739-H849 PolarHBondContact NH2-CE1 3.01Å; R739-H849 PolarHBondContact NH2-NE2 3.25Å |
| 740 | D | 88 | Confident | 84.9 | Confident | 87 Ų | 87 | 38 Ų | 38 | 47% | 0.465 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.7 | -30.2 | -177.7 | -55.5 | -40.5 | 0 | 0 | 0 | 112.1 | L705 T710 S736 V737 | L705-D740 VanDerWaalsContact CD1-C 3.42Å; L705-D740 HydrophobicContact CD1-CB 3.61Å; L705-D740 WeakPolarHBondContact CD1-O 3.42Å; T710-D740 PolarHBondContact OG1-O 3.28Å; S736-D740 PolarHBondContact O-N 2.92Å; S736-D740 PolarHBondContact OG-OD2 2.94Å; V737-D740 WeakPolarHBondContact CA-OD2 3.39Å; V737-D740 PolarHBondContact N-OD2 3.39Å; V737-D740 PolarHBondContact O-N 3.03Å |
| 741 | C | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.2 | 170.9 | 71.3 | 0 | 0 | 0 | 0 | 115.3 | L705 T709 I713 V737 R739 M743 | L705-C741 HydrophobicContact CD1-CB 4.03Å; L705-C741 HydrophobicContact CD2-CB 4.13Å; T709-C741 HydrophobicContact CG2-CB 3.81Å; I713-C741 WeakPolarHBondContact CB-O 3.44Å; I713-C741 HydrophobicContact CG1-CB 4.39Å; I713-C741 WeakPolarHBondContact CG2-O 3.39Å; V737-C741 PolarHBondContact O-N 3.48Å; V737-C741 PolarHBondContact O-SG 3.38Å; R739-C741 PolarHBondContact O-N 2.83Å; C741-M743 PolarHBondContact O-N 2.97Å |
| 742 | E | 90.9 | Very high | 85.5 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 35% | 0.346 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 35 | -177 | -64.1 | 174.3 | -123.6 | 0 | 0 | 113.8 | T710 K714 R717 R739 | T710-E742 HydrophobicContact CG2-CB 4.29Å; T710-E742 HydrophobicContact CG2-CG 4.16Å; K714-E742 WeakPolarHBondContact CE-OE1 3.17Å; K714-E742 WeakPolarHBondContact CE-OE2 3.27Å; K714-E742 VanDerWaalsContact NZ-CD 3.26Å; K714-E742 IonicContact NZ-OE1 2.79Å; K714-E742 PolarHBondContact NZ-OE1 3.47Å; K714-E742 IonicContact NZ-OE2 2.75Å; K714-E742 PolarHBondContact NZ-OE2 2.88Å; R717-E742 WeakPolarHBondContact CD-O 3.3Å; R717-E742 PolarHBondContact NH1-O 2.9Å; R739-E742 WeakPolarHBondContact O-CA 3.46Å; R739-E742 PolarHBondContact O-N 3.27Å |
| 743 | M | 91.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -74.1 | -34.1 | 168.5 | -169 | -177.3 | -58.6 | 0 | 0 | 111.5 | L491 I713 P723 M725 A738 C741 T1017 | L491-M743 HydrophobicContact CD1-CE 3.98Å; I713-M743 HydrophobicContact CD1-CE 4.16Å; I713-M743 HydrophobicContact CG2-CB 4.16Å; P723-M743 HydrophobicContact CB-CE 4.27Å; P723-M743 HydrophobicContact CB-CG 3.79Å; P723-M743 HydrophobicContact CB-SD 4.21Å; P723-M743 HydrophobicContact CG-CG 3.66Å; M725-M743 HydrophobicContact CB-CE 4.08Å; M725-M743 HydrophobicContact CB-SD 3.9Å; M725-M743 HydrophobicContact CE-CE 4.39Å; A738-M743 HydrophobicContact CB-CB 4.38Å; A738-M743 WeakPolarHBondContact O-CA 3.32Å; A738-M743 VanDerWaalsContact O-CB 3.24Å; A738-M743 WeakPolarHBondContact O-CB 3.43Å; A738-M743 PolarHBondContact O-N 2.93Å; C741-M743 PolarHBondContact O-N 2.97Å; M743-T1017 HydrophobicContact CG-CG2 3.91Å; M743-T1017 HydrophobicContact SD-CG2 3.93Å |
| 744 | I | 89.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -116.4 | 135.6 | 166.2 | -57.2 | 175.7 | 0 | 0 | 0 | 106.1 | L735 A738 R739 D748 I750 H990 T1017 V1018 | L735-I744 HydrophobicContact CD2-CD1 4.27Å; A738-I744 HydrophobicContact CB-CD1 4.01Å; A738-I744 HydrophobicContact CB-CG1 4.22Å; A738-I744 PolarHBondContact O-N 2.81Å; R739-I744 HydrophobicContact CG-CB 4.43Å; I744-D748 HydrophobicContact CG2-CB 3.77Å; I744-I750 HydrophobicContact CD1-CD1 4.19Å; I744-I750 HydrophobicContact CD1-CG1 4.39Å; I744-I750 HydrophobicContact CG2-CD1 4.24Å; I744-I750 HydrophobicContact CG2-CG1 4.17Å; I744-H990 HydrophobicContact CD1-CB 4.26Å; I744-H990 HydrophobicContact CG1-CB 4.45Å; I744-T1017 HydrophobicContact CD1-CG2 4.36Å; I744-T1017 HydrophobicContact CG1-CG2 3.96Å; I744-V1018 HydrophobicContact CD1-CG2 4.06Å |
| 745 | D | 85.4 | Confident | 86.1 | Confident | 67 Ų | 67 | 36 Ų | 36 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | trans | -75.7 | 160.2 | 177 | -153.3 | -64.3 | 0 | 0 | 0 | 111.9 | L747 D748 | D745-L747 PolarHBondContact O-N 3.01Å; D745-L747 PolarHBondContact OD1-N 2.64Å; D745-D748 HydrophobicContact CB-CB 4.01Å; D745-D748 VanDerWaalsContact CB-CG 3.49Å; D745-D748 WeakPolarHBondContact CB-OD2 3.47Å; D745-D748 PolarHBondContact N-OD2 2.95Å; D745-D748 VanDerWaalsContact N-OD2 3.08Å; D745-D748 PolarHBondContact O-N 2.87Å | ||
| 746 | E | 77.7 | Confident | 85.8 | Confident | 157 Ų | 157 | 39.8 Ų | 39.8 | 73% | 0.734 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.1 | 176.9 | -70.9 | -174.5 | -169 | 0 | 0 | 112.6 | H849 | E746-H849 PolarHBondContact O-CE1 3.5Å; E746-H849 PolarHBondContact O-ND1 3.05Å |
| 747 | L | 78.1 | Confident | 85.6 | Confident | 143 Ų | 143 | 42.2 Ų | 42.2 | 75% | 0.749 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11.6 | 177.8 | -58.3 | 178 | 0 | 0 | 0 | 113.5 | D745 | D745-L747 PolarHBondContact O-N 3.01Å; D745-L747 PolarHBondContact OD1-N 2.64Å |
| 748 | D | 81.4 | Confident | 85.1 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -77.2 | 138.7 | -174.8 | -80.1 | -27.6 | 0 | 0 | 0 | 111.6 | R717 I744 D745 H990 | R717-D748 IonicContact NH2-OD2 2.71Å; R717-D748 PolarHBondContact NH2-OD2 3.05Å; I744-D748 HydrophobicContact CG2-CB 3.77Å; D745-D748 HydrophobicContact CB-CB 4.01Å; D745-D748 VanDerWaalsContact CB-CG 3.49Å; D745-D748 WeakPolarHBondContact CB-OD2 3.47Å; D745-D748 PolarHBondContact N-OD2 2.95Å; D745-D748 VanDerWaalsContact N-OD2 3.08Å; D745-D748 PolarHBondContact O-N 2.87Å; D748-H990 IonicContact OD2-NE2 2.69Å; D748-H990 PolarHBondContact OD2-NE2 3.01Å |
| 749 | R | 81.4 | Confident | 84.1 | Confident | 115 Ų | 115 | 49.1 Ų | 49.1 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.4 | -171.5 | -74.2 | -167.4 | 178.6 | 179.4 | 3.8 | 112.7 | Y844 P987 D988 F989 H990 | R749-Y844 HydrophobicContact CB-CE2 3.97Å; R749-Y844 WeakPolarHBondContact CD-OH 3.5Å; R749-Y844 HydrophobicContact CG-CE2 3.99Å; R749-Y844 PolarHBondContact NE-OH 2.95Å; R749-P987 HydrophobicContact CG-CB 4.4Å; R749-P987 HydrophobicContact CG-CG 4.09Å; R749-P987 VanDerWaalsContact NE-CG 3.34Å; R749-D988 PolarHBondContact N-O 3.01Å; R749-F989 HydrophobicContact CB-CB 3.91Å; R749-F989 CarbonylContact O-C 3.51Å; R749-F989 VanDerWaalsContact O-CA 3.22Å; R749-F989 WeakPolarHBondContact O-CA 3.37Å; R749-H990 PolarHBondContact O-N 3.48Å |
| 750 | I | 84.2 | Confident | 82.5 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.5 | 178.8 | -56.6 | 178.2 | 0 | 0 | 0 | 110.3 | L735 I744 A845 A992 | L735-I750 HydrophobicContact CD1-CG2 4.23Å; L735-I750 HydrophobicContact CD2-CD1 4.27Å; L735-I750 HydrophobicContact CD2-CG2 3.96Å; I744-I750 HydrophobicContact CD1-CD1 4.19Å; I744-I750 HydrophobicContact CD1-CG1 4.39Å; I744-I750 HydrophobicContact CG2-CD1 4.24Å; I744-I750 HydrophobicContact CG2-CG1 4.17Å; I750-A845 HydrophobicContact CB-CB 4.13Å; I750-A845 HydrophobicContact CG2-CB 4.19Å; I750-A845 PolarHBondContact O-N 3.23Å; I750-A845 VanDerWaalsContact O-N 3.15Å; I750-A992 HydrophobicContact CG2-CB 4.46Å |
| 751 | I | 85.8 | Confident | 80.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.6 | 177.5 | -61.6 | 177.3 | 0 | 0 | 0 | 108.8 | F842 H843 Y844 F989 H990 L991 A992 P1347 I1349 | I751-F842 HydrophobicContact CG2-CB 3.96Å; I751-F842 HydrophobicContact CG2-CD1 4.07Å; I751-H843 CarbonylContact C-O 3.52Å; I751-H843 WeakPolarHBondContact CA-O 3.48Å; I751-Y844 HydrophobicContact CG1-CD2 4.23Å; I751-F989 HydrophobicContact CD1-CB 4.37Å; I751-F989 HydrophobicContact CD1-CD2 3.85Å; I751-F989 HydrophobicContact CD1-CE2 4.47Å; I751-F989 HydrophobicContact CD1-CG 4.26Å; I751-H990 PolarHBondContact N-O 3.03Å; I751-L991 HydrophobicContact CB-CD2 3.88Å; I751-L991 HydrophobicContact CG2-CD2 3.75Å; I751-L991 WeakPolarHBondContact O-CA 3.23Å; I751-A992 PolarHBondContact O-N 3.35Å; I751-P1347 HydrophobicContact CD1-CG 3.66Å; I751-I1349 HydrophobicContact CD1-CD1 3.86Å; I751-I1349 HydrophobicContact CD1-CG1 4.29Å |
| 752 | L | 86.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.3 | 175.7 | -72.4 | 164.3 | 0 | 0 | 0 | 109.5 | M731 L735 H843 A992 L1358 L1362 F1363 | M731-L752 HydrophobicContact CE-CD2 4.41Å; M731-L752 HydrophobicContact CG-CD2 3.72Å; M731-L752 HydrophobicContact SD-CD2 4.05Å; L735-L752 HydrophobicContact CD1-CD2 4.22Å; L752-H843 HydrophobicContact CB-CB 4.42Å; L752-H843 PolarHBondContact N-O 3.48Å; L752-H843 PolarHBondContact O-N 3.41Å; L752-A992 HydrophobicContact CD2-CB 4.08Å; L752-L1358 HydrophobicContact CD1-CD1 3.72Å; L752-L1358 HydrophobicContact CD1-CD2 4.37Å; L752-L1362 HydrophobicContact CB-CD1 4.28Å; L752-F1363 HydrophobicContact CD1-CZ 4.45Å |
| 753 | V | 85.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129 | 176.8 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | V840 F842 L991 A992 I993 T997 I1001 L1012 | V753-V840 HydrophobicContact CG1-CG1 4.2Å; V753-F842 HydrophobicContact CG1-CE1 4.2Å; V753-F842 HydrophobicContact CG2-CD1 3.97Å; V753-F842 HydrophobicContact CG2-CE1 3.88Å; V753-L991 HydrophobicContact CG2-CB 4.31Å; V753-L991 HydrophobicContact CG2-CD2 3.76Å; V753-A992 PolarHBondContact N-O 3.29Å; V753-I993 HydrophobicContact CB-CG1 4.13Å; V753-I993 HydrophobicContact CG2-CD1 4.22Å; V753-I993 HydrophobicContact CG2-CG1 3.93Å; V753-T997 HydrophobicContact CG1-CG2 4.21Å; V753-T997 WeakPolarHBondContact O-CG2 3.37Å; V753-I1001 HydrophobicContact CG1-CD1 4.03Å; V753-L1012 HydrophobicContact CG1-CD2 4.32Å; V753-L1012 HydrophobicContact CG2-CD2 4.14Å |
| 754 | S | 85.2 | Confident | 71.7 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 6% | 0.056 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | V840 E841 | S754-V840 CarbonylContact O-C 3.57Å; S754-V840 WeakPolarHBondContact O-CA 3.41Å; S754-V840 WeakPolarHBondContact O-CG1 3.4Å; S754-E841 PolarHBondContact N-O 3.24Å; S754-E841 PolarHBondContact O-N 3.31Å |
| 755 | A | 84.8 | Confident | 68.8 | Low | 9 Ų | 9 | 83.9 Ų | 83.9 | 7% | 0.074 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 141.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L839 V840 T997 I1000 I1001 | A755-L839 WeakPolarHBondContact CA-O 3.27Å; A755-V840 HydrophobicContact CB-CG1 4.36Å; A755-V840 HydrophobicContact CB-CG2 4.08Å; A755-T997 HydrophobicContact CB-CG2 3.92Å; A755-I1000 HydrophobicContact CB-CG2 4.07Å; A755-I1000 WeakPolarHBondContact O-CD1 3.19Å; A755-I1001 HydrophobicContact CB-CD1 4Å; A755-I1001 HydrophobicContact CB-CG1 3.67Å |
| 756 | K | 81.3 | Confident | 66 | Low | 81 Ų | 81 | 86.1 Ų | 86.1 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | trans | -115.7 | 142.4 | 176 | -70.1 | 158.9 | -177.5 | 158.5 | 0 | 109.4 | L839 E841 Y1005 | K756-L839 PolarHBondContact N-O 3.33Å; K756-E841 IonicContact NZ-OE1 2.83Å; K756-E841 PolarHBondContact NZ-OE1 2.94Å; K756-Y1005 VanDerWaalsContact O-CE2 3.29Å; K756-Y1005 WeakPolarHBondContact O-CE2 3.03Å; K756-Y1005 PolarHBondContact O-OH 3.4Å | ||
| 757 | P | 80.3 | Confident | 63.5 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 42% | 0.416 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.4 | 169.9 | 28.6 | -34.7 | 0 | 0 | 0 | 109.5 | Y1004 | P757-Y1004 HydrophobicContact CB-CD2 4.26Å; P757-Y1004 HydrophobicContact CB-CE2 4.02Å |
| 758 | P | 77.6 | Confident | 61 | Low | 46 Ų | 46 | 82 Ų | 82 | 30% | 0.299 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 142.1 | 176.5 | 27.3 | -34 | 0 | 0 | 0 | 110 | L760 L839 Y1004 | P758-L760 PolarHBondContact O-N 2.79Å; P758-L839 HydrophobicContact CB-CD1 4.39Å; P758-Y1004 HydrophobicContact CG-CD1 3.63Å; P758-Y1004 HydrophobicContact CG-CE1 4.14Å; P758-Y1004 HydrophobicContact CG-CG 4.31Å |
| 759 | P | 70.8 | Confident | 58.6 | Low | 103 Ų | 103 | 86.8 Ų | 86.8 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 124.8 | 179.3 | 25.8 | -33.5 | 0 | 0 | 0 | 109.9 | L761 | P759-L761 PolarHBondContact O-N 3.43Å; P759-L761 VanDerWaalsContact O-N 3.08Å |
| 760 | L | 54.6 | Low | 56 | Low | 170 Ų | 170 | 88.7 Ų | 88.7 | 89% | 0.89 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 116.2 | 173.1 | -76.6 | 163.9 | 0 | 0 | 0 | 109.1 | P758 | P758-L760 PolarHBondContact O-N 2.79Š|
| 761 | L | 39.8 | Very low | 53.3 | Low | 162 Ų | 162 | 96.4 Ų | 96.4 | 85% | 0.848 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.5 | 172.2 | -81.9 | 165.5 | 0 | 0 | 0 | 108.3 | P759 H763 | P759-L761 PolarHBondContact O-N 3.43Å; P759-L761 VanDerWaalsContact O-N 3.08Å; L761-H763 PolarHBondContact O-N 3.03Å |
| 762 | P | 31.5 | Very low | 50.5 | Low | 108 Ų | 108 | 101.6 Ų | 101.6 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.8 | 172 | 26.8 | -33.4 | 0 | 0 | 0 | 107.9 | V764 | P762-V764 PolarHBondContact O-N 2.94Š|
| 763 | H | 32.5 | Very low | 47.7 | Very low | 193 Ų | 193 | 108.4 Ų | 108.4 | 89% | 0.894 | 63% | 0.632 | S | S | * | * | trans | -56.3 | 100.9 | 176.7 | -96.4 | -75.3 | 0 | 0 | 0 | 109.6 | L761 Q765 | L761-H763 PolarHBondContact O-N 3.03Å; H763-Q765 PolarHBondContact O-N 2.94Å | ||
| 764 | V | 30.4 | Very low | 44.9 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -60.7 | 110.9 | 162 | 175.7 | 0 | 0 | 0 | 0 | 105.1 | P762 S766 | P762-V764 PolarHBondContact O-N 2.94Å; V764-S766 PolarHBondContact O-N 2.97Å | ||
| 765 | Q | 28.6 | Very low | 42 | Very low | 179 Ų | 179 | 121 Ų | 121 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | trans | -56.4 | 117.2 | 166.3 | -72.5 | -179.9 | -34.7 | 0 | 0 | 106.5 | H763 S767 | H763-Q765 PolarHBondContact O-N 2.94Å; Q765-S767 PolarHBondContact O-N 3.27Å | ||
| 766 | S | 27.5 | Very low | 39.3 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -71.9 | 78.5 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | V764 S768 | V764-S766 PolarHBondContact O-N 2.97Å; S766-S768 PolarHBondContact O-N 3.1Å | ||
| 767 | S | 24.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -62 | 101.5 | 166.1 | 55 | 0 | 0 | 0 | 0 | 107.6 | Q765 P769 | Q765-S767 PolarHBondContact O-N 3.27Å; S767-P769 WeakPolarHBondContact O-CD 3.44Å | ||
| 768 | S | 27.3 | Very low | 34.4 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -59.4 | 123.6 | 179.4 | 35.9 | 0 | 0 | 0 | 0 | 110.1 | S766 N770 | S766-S768 PolarHBondContact O-N 3.1Å; S768-N770 PolarHBondContact O-N 3.18Å | ||
| 769 | P | 29.4 | Very low | 32 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -73.8 | 111.1 | 173.1 | 29.3 | -31.5 | 0 | 0 | 0 | 109.2 | S767 | S767-P769 WeakPolarHBondContact O-CD 3.44Š| ||
| 770 | N | 26.8 | Very low | 29.9 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | 27.8 | 108.5 | 157.2 | -61.1 | -17.6 | 0 | 0 | 0 | 118.3 | S768 | S768-N770 PolarHBondContact O-N 3.18Š| ||
| 771 | D | 27.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -147.4 | 93.4 | 143.2 | -131.7 | -17 | 0 | 0 | 0 | 112.3 | ||||
| 772 | S | 26.9 | Very low | 27.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 173.7 | 95.4 | 153.2 | 32.3 | 0 | 0 | 0 | 0 | 111.1 | T774 | S772-T774 PolarHBondContact O-N 3.35Š| ||
| 773 | V | 28 | Very low | 27.5 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 94.9 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 774 | T | 28.5 | Very low | 27.3 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -159.9 | 119.7 | 146.2 | 13.4 | 0 | 0 | 0 | 0 | 110.6 | S772 | S772-T774 PolarHBondContact O-N 3.35Š| ||
| 775 | C | 23.1 | Very low | 27 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | -99.8 | 134.2 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 776 | S | 28.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -146.9 | 164 | 147.8 | -162.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 777 | A | 30.4 | Very low | 26.8 | Very low | 80 Ų | 80 | 133 Ų | 133 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 146.4 | -146.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 778 | K | 27.8 | Very low | 26.9 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | 67.3 | 149.3 | 163.6 | -57.1 | 175.5 | 179.7 | -176.6 | 0 | 116.6 | ||||
| 779 | G | 27.6 | Very low | 26.9 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | cis | 171 | 153.2 | -9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 780 | D | 25.8 | Very low | 26.6 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 69 | 151.7 | 157 | -51.6 | -31.9 | 0 | 0 | 0 | 122.9 | ||||
| 781 | L | 27.2 | Very low | 26.5 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | 82 | 87.8 | 157.9 | -70.4 | 153.3 | 0 | 0 | 0 | 122.6 | ||||
| 782 | A | 25.9 | Very low | 26.6 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 61.4 | 146.5 | 112.6 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 783 | S | 24 | Very low | 26.4 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 92.8 | 138.8 | 150.2 | -7.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 784 | D | 27.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | 73 | 96.2 | 144.1 | -56.8 | -11.8 | 0 | 0 | 0 | 124.5 | ||||
| 785 | Q | 24 | Very low | 26.2 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 59.4 | 137.1 | 107.1 | -79.7 | -166.9 | 12.9 | 0 | 0 | 124.3 | |||||
| 786 | Q | 26.3 | Very low | 26.4 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 72.6 | 146.2 | 150.6 | -67.4 | -177.4 | 17.1 | 0 | 0 | 118.7 | ||||
| 787 | H | 26.6 | Very low | 26.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | -162.3 | 162.6 | -10 | -127.1 | -47.4 | 0 | 0 | 0 | 111.4 | ||||
| 788 | I | 26.9 | Very low | 26.1 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 74.1 | 141.5 | 156.2 | -64.8 | 159.7 | 0 | 0 | 0 | 114.2 | ||||
| 789 | D | 26.6 | Very low | 26 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -136.9 | -177.6 | 22.9 | -141.5 | -43.2 | 0 | 0 | 0 | 115.2 | ||||
| 790 | T | 23.4 | Very low | 26 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 148.3 | -168.6 | 45.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 791 | S | 24.3 | Very low | 26 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 144.1 | 160.9 | 116 | 67.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 792 | S | 29.5 | Very low | 25.9 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 72.2 | 112.7 | 173.5 | 73.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 793 | N | 23.1 | Very low | 26 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -86.9 | 125.8 | 161.5 | -80.6 | -31.2 | 0 | 0 | 0 | 109.5 | ||||
| 794 | H | 28 | Very low | 26 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | -141 | 116.2 | 158.9 | -103.2 | -77.2 | 0 | 0 | 0 | 110.1 | ||||
| 795 | V | 24.4 | Very low | 26.1 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -84.4 | 117.1 | 169.2 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 796 | S | 26.7 | Very low | 26.1 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -121.1 | 125.4 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 797 | L | 25.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -69.1 | 152.2 | 168 | -85.6 | 75.1 | 0 | 0 | 0 | 110.4 | S799 | L797-S799 PolarHBondContact O-N 3.15Å; L797-S799 VanDerWaalsContact O-N 3.15Å | ||
| 798 | P | 27.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 101.1 | -177.3 | 30.4 | -34.6 | 0 | 0 | 0 | 112.2 | I800 | P798-I800 PolarHBondContact O-N 3.44Š| ||
| 799 | S | 25.1 | Very low | 26.1 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -68.9 | 121.5 | 166.8 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | L797 L801 | L797-S799 PolarHBondContact O-N 3.15Å; L797-S799 VanDerWaalsContact O-N 3.15Å; S799-L801 PolarHBondContact O-N 2.88Å | ||
| 800 | I | 29.2 | Very low | 26.2 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 107.8 | 171.4 | -63.1 | 176.6 | 0 | 0 | 0 | 108.3 | P798 | P798-I800 PolarHBondContact O-N 3.44Š| ||
| 801 | L | 24.7 | Very low | 26.6 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | -111.1 | 104.6 | -174.7 | -163.8 | 153.8 | 0 | 0 | 0 | 110.3 | S799 T803 | S799-L801 PolarHBondContact O-N 2.88Å; L801-T803 HydrophobicContact CD2-CG2 3.62Å; L801-T803 PolarHBondContact O-N 3.19Å | ||
| 802 | L | 26.5 | Very low | 26.6 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -76.9 | 106.2 | 172.7 | -93.1 | 164.8 | 0 | 0 | 0 | 110 | ||||
| 803 | T | 27.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -76.8 | 121.5 | 178.6 | 42 | 0 | 0 | 0 | 0 | 111.7 | L801 | L801-T803 HydrophobicContact CD2-CG2 3.62Å; L801-T803 PolarHBondContact O-N 3.19Å | ||
| 804 | Q | 24 | Very low | 26.7 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -78.5 | 134.3 | 165.4 | -64 | -177.5 | 8.3 | 0 | 0 | 110.1 | ||||
| 805 | S | 28.2 | Very low | 26.6 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -105.4 | 131.4 | 165.8 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 806 | Q | 24.1 | Very low | 26.5 | Very low | 192 Ų | 192 | 149 Ų | 149 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 129.6 | -175.9 | -65 | -177.8 | -6.6 | 0 | 0 | 112.8 | ||||
| 807 | G | 28.2 | Very low | 26.4 | Very low | 77 Ų | 77 | 152 Ų | 152 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -125.8 | 147.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 808 | T | 27.8 | Very low | 26.4 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | trans | -119.8 | 144.1 | -158.2 | 56.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 809 | R | 25.1 | Very low | 26.2 | Very low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | 68.9 | 152.1 | 166.2 | -70.8 | 177.1 | 168.2 | 162.9 | -3.5 | 115.7 | ||||
| 810 | N | 28.4 | Very low | 26.2 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 64% | 0.642 | 80% | 0.801 | S | S | * | * | cis | -155.5 | 160.6 | 10.3 | -131.8 | 6.1 | 0 | 0 | 0 | 113.9 | ||||
| 811 | N | 30.6 | Very low | 26.1 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | 67.6 | 102.7 | 151.3 | -66.1 | -16 | 0 | 0 | 0 | 123.8 | ||||
| 812 | N | 25.3 | Very low | 26 | Very low | 147 Ų | 147 | 150.5 Ų | 150.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | 49.5 | 102.8 | 118.6 | -64.4 | -21.1 | 0 | 0 | 0 | 122.4 | |||||
| 813 | R | 26.5 | Very low | 26 | Very low | 241 Ų | 241 | 148.9 Ų | 148.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | 179.3 | 142.1 | 99.3 | -102.1 | 179 | 170.7 | 171.5 | -1.8 | 112.7 | |||||
| 814 | P | 27 | Very low | 26 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -88.8 | 137.1 | 177.7 | 34.1 | -32.9 | 0 | 0 | 0 | 112.7 | ||||
| 815 | R | 26.5 | Very low | 26.1 | Very low | 244 Ų | 244 | 145 Ų | 145 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 132.4 | 158 | -86.7 | -166.7 | 170.5 | 168.4 | -2.9 | 112.5 | ||||
| 816 | T | 22.5 | Very low | 26 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -45.6 | 126.7 | 161.4 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 817 | H | 25.4 | Very low | 26.2 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | -174.9 | 160.2 | 112.5 | -108.4 | -80.2 | 0 | 0 | 0 | 113.6 | |||||
| 818 | S | 23.7 | Very low | 26 | Very low | 108 Ų | 108 | 152 Ų | 152 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -55.1 | 122.5 | 175.6 | 49.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 819 | S | 24.6 | Very low | 25.9 | Very low | 92 Ų | 92 | 154.1 Ų | 154.1 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -158.4 | 64.3 | 162.6 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | N821 | S819-N821 PolarHBondContact O-N 3.05Š| ||
| 820 | F | 25.4 | Very low | 25.8 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 96% | 0.961 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -72.9 | 80.6 | 157.5 | -102.4 | -88.6 | 0 | 0 | 0 | 108.7 | ||
| 821 | N | 25.1 | Very low | 25.7 | Very low | 169 Ų | 169 | 153.7 Ų | 153.7 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | 172.6 | 65.5 | 164 | -94 | -6 | 0 | 0 | 0 | 108.6 | S819 | S819-N821 PolarHBondContact O-N 3.05Š| ||
| 822 | A | 23.5 | Very low | 25.6 | Very low | 65 Ų | 65 | 152 Ų | 152 | 54% | 0.537 | 79% | 0.786 | S | S | . | * | trans | -153.2 | 28.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 823 | T | 26.7 | Very low | 26 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -129 | 2.4 | -177.6 | 43 | 0 | 0 | 0 | 0 | 114.9 | ||
| 824 | N | 28.5 | Very low | 26.4 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -101.8 | -5.3 | 175.2 | -79.2 | 14.1 | 0 | 0 | 0 | 114.1 | ||
| 825 | S | 25.3 | Very low | 26.8 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 27.2 | -173.4 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 826 | L | 25.6 | Very low | 27.4 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | 18.8 | 172.2 | -78.3 | 172.5 | 0 | 0 | 0 | 112.1 | ||
| 827 | F | 28.6 | Very low | 28.4 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -126.3 | 13.1 | 174.9 | -110.6 | -82.7 | 0 | 0 | 0 | 112.7 | ||
| 828 | E | 25.1 | Very low | 29.7 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -102.5 | -0.5 | -179.9 | -73.4 | -168.7 | 119.7 | 0 | 0 | 114.4 | ||
| 829 | E | 23.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -106.9 | 129.6 | 173.7 | -66.6 | -164.4 | 151.6 | 0 | 0 | 112 | ||
| 830 | N | 24.8 | Very low | 33.8 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 70.6 | 38 | 166.2 | -55.6 | -48.4 | 0 | 0 | 0 | 119.3 | ||
| 831 | F | 25.6 | Very low | 36.2 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | -124.6 | 135.8 | 151.9 | -90.6 | -87.5 | 0 | 0 | 0 | 112.3 | N833 | F831-N833 PolarHBondContact O-N 3.49Š| ||
| 832 | S | 27.7 | Very low | 38.6 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 62% | 0.615 | 60% | 0.601 | S | S | * | * | trans | -86.7 | 107.6 | -172.9 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | Q834 | S832-Q834 PolarHBondContact O-N 3.32Š| ||
| 833 | N | 33.8 | Very low | 40.9 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -54.3 | -19.2 | -175.1 | -75 | -27.9 | 0 | 0 | 0 | 116.5 | F831 Q835 Y836 | F831-N833 PolarHBondContact O-N 3.49Å; N833-Q835 PolarHBondContact O-N 2.91Å; N833-Q835 VanDerWaalsContact O-N 3.09Å; N833-Y836 PolarHBondContact O-N 2.85Å |
| 834 | Q | 34.5 | Very low | 42.9 | Very low | 180 Ų | 180 | 108.5 Ų | 108.5 | 84% | 0.841 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -65.1 | -13.4 | -173.6 | -70.8 | -173.4 | -31.3 | 0 | 0 | 115.7 | S832 | S832-Q834 PolarHBondContact O-N 3.32Š|
| 835 | Q | 36.7 | Very low | 44.7 | Very low | 153 Ų | 153 | 102 Ų | 102 | 72% | 0.715 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -95 | -12.5 | -174.8 | -157.9 | 162.9 | 2.9 | 0 | 0 | 114.5 | N833 | N833-Q835 PolarHBondContact O-N 2.91Å; N833-Q835 VanDerWaalsContact O-N 3.09Å |
| 836 | Y | 38.2 | Very low | 46.1 | Very low | 135 Ų | 135 | 103.4 Ų | 103.4 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -20.1 | 176.7 | -74.5 | -82.6 | 0 | 0 | 0 | 114 | N833 S838 L839 | N833-Y836 PolarHBondContact O-N 2.85Å; Y836-S838 PolarHBondContact O-N 3.02Å; Y836-L839 HydrophobicContact CD1-CD1 4.31Å; Y836-L839 PolarHBondContact O-N 2.88Å; Y836-L839 VanDerWaalsContact O-N 3.08Å |
| 837 | D | 43.7 | Very low | 47.3 | Very low | 103 Ų | 103 | 97.4 Ų | 97.4 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -6.3 | 177.8 | -79.1 | -26 | 0 | 0 | 0 | 114.3 | ||
| 838 | S | 53 | Low | 48.2 | Very low | 81 Ų | 81 | 89.5 Ų | 89.5 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.3 | 175.9 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | Y836 | Y836-S838 PolarHBondContact O-N 3.02Š|
| 839 | L | 67.4 | Low | 48.8 | Very low | 31 Ų | 31 | 85.6 Ų | 85.6 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -14.1 | -175.5 | -67.9 | 169.6 | 0 | 0 | 0 | 114.2 | A755 K756 P758 Y836 Y1005 | A755-L839 WeakPolarHBondContact CA-O 3.27Å; K756-L839 PolarHBondContact N-O 3.33Å; P758-L839 HydrophobicContact CB-CD1 4.39Å; Y836-L839 HydrophobicContact CD1-CD1 4.31Å; Y836-L839 PolarHBondContact O-N 2.88Å; Y836-L839 VanDerWaalsContact O-N 3.08Å; L839-Y1005 WeakPolarHBondContact CB-OH 3.4Å |
| 840 | V | 66.4 | Low | 49.2 | Very low | 13 Ų | 13 | 84.2 Ų | 84.2 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 104.4 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | V753 S754 A755 F842 Y1005 L1008 | V753-V840 HydrophobicContact CG1-CG1 4.2Å; S754-V840 CarbonylContact O-C 3.57Å; S754-V840 WeakPolarHBondContact O-CA 3.41Å; S754-V840 WeakPolarHBondContact O-CG1 3.4Å; A755-V840 HydrophobicContact CB-CG1 4.36Å; A755-V840 HydrophobicContact CB-CG2 4.08Å; V840-F842 HydrophobicContact CG1-CE2 4Å; V840-F842 HydrophobicContact CG1-CZ 4.31Å; V840-Y1005 HydrophobicContact CG2-CD1 4.21Å; V840-Y1005 HydrophobicContact CG2-CD2 3.94Å; V840-Y1005 HydrophobicContact CG2-CE1 4.33Å; V840-Y1005 HydrophobicContact CG2-CE2 4.04Å; V840-Y1005 HydrophobicContact CG2-CG 4.03Å; V840-L1008 HydrophobicContact CG1-CD2 3.78Å |
| 841 | E | 77.2 | Confident | 49.3 | Very low | 32 Ų | 32 | 82 Ų | 82 | 15% | 0.15 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.9 | -171 | -61.9 | 176.1 | -121.4 | 0 | 0 | 110.8 | S754 K756 H843 I1350 | S754-E841 PolarHBondContact N-O 3.24Å; S754-E841 PolarHBondContact O-N 3.31Å; K756-E841 IonicContact NZ-OE1 2.83Å; K756-E841 PolarHBondContact NZ-OE1 2.94Å; E841-H843 IonicContact OE2-CE1 3.62Å; E841-H843 PolarHBondContact OE2-CE1 3Å; E841-H843 VanDerWaalsContact OE2-CE1 3.27Å; E841-H843 IonicContact OE2-NE2 2.81Å; E841-I1350 HydrophobicContact CB-CD1 4.06Å; E841-I1350 HydrophobicContact CG-CD1 3.83Å |
| 842 | F | 75.4 | Confident | 49.3 | Very low | 5 Ų | 5 | 79.3 Ų | 79.3 | 2% | 0.022 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 104.2 | 175.7 | -67 | -95.7 | 0 | 0 | 0 | 109.4 | I751 V753 V840 L991 L1008 L1012 W1346 P1347 P1348 I1350 | I751-F842 HydrophobicContact CG2-CB 3.96Å; I751-F842 HydrophobicContact CG2-CD1 4.07Å; V753-F842 HydrophobicContact CG1-CE1 4.2Å; V753-F842 HydrophobicContact CG2-CD1 3.97Å; V753-F842 HydrophobicContact CG2-CE1 3.88Å; V840-F842 HydrophobicContact CG1-CE2 4Å; V840-F842 HydrophobicContact CG1-CZ 4.31Å; F842-L991 HydrophobicContact CD1-CD2 3.97Å; F842-L991 HydrophobicContact CE1-CD2 4.07Å; F842-L1008 HydrophobicContact CZ-CD2 4.35Å; F842-L1012 HydrophobicContact CE1-CD2 4.21Å; F842-L1012 HydrophobicContact CZ-CD2 4.46Å; F842-W1346 HydrophobicContact CE1-CZ2 4.39Å; F842-W1346 HydrophobicContact CZ-CZ2 4.31Å; F842-P1347 HydrophobicContact CB-CB 4.07Å; F842-P1347 HydrophobicContact CD1-CB 3.48Å; F842-P1347 VanDerWaalsContact CD1-CB 3.48Å; F842-P1347 HydrophobicContact CD1-CG 4.41Å; F842-P1347 HydrophobicContact CD2-CB 4.17Å; F842-P1347 HydrophobicContact CE1-CB 3.86Å; F842-P1347 HydrophobicContact CG-CB 3.64Å; F842-P1347 HydrophobicContact CZ-CB 4.36Å; F842-P1348 HydrophobicContact CD2-CG 3.86Å; F842-P1348 HydrophobicContact CE2-CG 4.14Å; F842-I1350 PolarHBondContact O-N 2.9Å |
| 843 | H | 71.4 | Confident | 49.2 | Very low | 5 Ų | 5 | 81.2 Ų | 81.2 | 2% | 0.023 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.1 | -176.9 | -52.4 | -81.5 | 0 | 0 | 0 | 111.3 | I751 L752 E841 L1358 | I751-H843 CarbonylContact C-O 3.52Å; I751-H843 WeakPolarHBondContact CA-O 3.48Å; L752-H843 HydrophobicContact CB-CB 4.42Å; L752-H843 PolarHBondContact N-O 3.48Å; L752-H843 PolarHBondContact O-N 3.41Å; E841-H843 IonicContact OE2-CE1 3.62Å; E841-H843 PolarHBondContact OE2-CE1 3Å; E841-H843 VanDerWaalsContact OE2-CE1 3.27Å; E841-H843 IonicContact OE2-NE2 2.81Å; H843-L1358 HydrophobicContact CB-CD2 3.39Å |
| 844 | Y | 68.5 | Low | 48.7 | Very low | 46 Ų | 46 | 82.6 Ų | 82.6 | 18% | 0.18 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.7 | 177.6 | -172.4 | -126.2 | 0 | 0 | 0 | 111.6 | R749 I751 E846 | R749-Y844 HydrophobicContact CB-CE2 3.97Å; R749-Y844 WeakPolarHBondContact CD-OH 3.5Å; R749-Y844 HydrophobicContact CG-CE2 3.99Å; R749-Y844 PolarHBondContact NE-OH 2.95Å; I751-Y844 HydrophobicContact CG1-CD2 4.23Å; Y844-E846 HydrophobicContact CD1-CB 3.65Å; Y844-E846 HydrophobicContact CD1-CG 3.89Å; Y844-E846 HydrophobicContact CE1-CB 3.83Å; Y844-E846 HydrophobicContact CE1-CG 3.67Å; Y844-E846 VanDerWaalsContact CE1-OE1 3.3Å; Y844-E846 WeakPolarHBondContact CE1-OE1 3.36Å; Y844-E846 PolarHBondContact O-N 3.04Å |
| 845 | A | 66.1 | Low | 48.2 | Very low | 4 Ų | 4 | 79.7 Ų | 79.7 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | trans | -84.1 | 57 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I750 D847 L848 | I750-A845 HydrophobicContact CB-CB 4.13Å; I750-A845 HydrophobicContact CG2-CB 4.19Å; I750-A845 PolarHBondContact O-N 3.23Å; I750-A845 VanDerWaalsContact O-N 3.15Å; A845-D847 PolarHBondContact O-N 3.12Å; A845-L848 HydrophobicContact CB-CD1 4.25Å | ||
| 846 | E | 55.3 | Low | 47.5 | Very low | 116 Ų | 116 | 79 Ų | 79 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.1 | -165.8 | -158.3 | 151.9 | -130.1 | 0 | 0 | 114.6 | Y844 L848 | Y844-E846 HydrophobicContact CD1-CB 3.65Å; Y844-E846 HydrophobicContact CD1-CG 3.89Å; Y844-E846 HydrophobicContact CE1-CB 3.83Å; Y844-E846 HydrophobicContact CE1-CG 3.67Å; Y844-E846 VanDerWaalsContact CE1-OE1 3.3Å; Y844-E846 WeakPolarHBondContact CE1-OE1 3.36Å; Y844-E846 PolarHBondContact O-N 3.04Å; E846-L848 PolarHBondContact O-N 2.8Å |
| 847 | D | 49.3 | Very low | 46.8 | Very low | 43 Ų | 43 | 76.5 Ų | 76.5 | 23% | 0.23 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.2 | -175.2 | -61.4 | -7 | 0 | 0 | 0 | 115.1 | R661 A845 H849 S1354 V1355 | R661-D847 PolarHBondContact NH1-O 3.43Å; R661-D847 VanDerWaalsContact NH1-O 3.16Å; R661-D847 VanDerWaalsContact NH2-CB 3.31Å; R661-D847 IonicContact NH2-OD2 2.78Å; R661-D847 PolarHBondContact NH2-OD2 3.44Å; A845-D847 PolarHBondContact O-N 3.12Å; D847-H849 PolarHBondContact O-N 3.33Å; D847-S1354 WeakPolarHBondContact OD1-CA 3.41Å; D847-S1354 VanDerWaalsContact OD2-CA 3.29Å; D847-S1354 WeakPolarHBondContact OD2-CA 3.37Å; D847-S1354 WeakPolarHBondContact OD2-CB 3.43Å; D847-V1355 HydrophobicContact CB-CG2 3.89Å; D847-V1355 PolarHBondContact OD2-N 3.48Å |
| 848 | L | 48.6 | Very low | 45.8 | Very low | 30 Ų | 30 | 78 Ų | 78 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 21.9 | -171.2 | -106.7 | 154.7 | 0 | 0 | 0 | 113.5 | R661 R739 A845 E846 | R661-L848 HydrophobicContact CG-CD2 4.45Å; R739-L848 PolarHBondContact NH1-O 3.02Å; A845-L848 HydrophobicContact CB-CD1 4.25Å; E846-L848 PolarHBondContact O-N 2.8Å |
| 849 | H | 38.5 | Very low | 44.4 | Very low | 88 Ų | 88 | 80.2 Ų | 80.2 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141 | 7.1 | -172.2 | -67.3 | -80.6 | 0 | 0 | 0 | 114.8 | R739 E746 D847 | R739-H849 PolarHBondContact NH2-CE1 3.01Å; R739-H849 PolarHBondContact NH2-NE2 3.25Å; E746-H849 PolarHBondContact O-CE1 3.5Å; E746-H849 PolarHBondContact O-ND1 3.05Å; D847-H849 PolarHBondContact O-N 3.33Å |
| 850 | K | 31.9 | Very low | 42.4 | Very low | 142 Ų | 142 | 87.9 Ų | 87.9 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | trans | -118 | 118.4 | -178.8 | -77.1 | -164.8 | 170.8 | -164.9 | 0 | 113 | ||||
| 851 | P | 26.5 | Very low | 40.4 | Very low | 105 Ų | 105 | 94.4 Ų | 94.4 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | trans | -62.8 | 149.2 | 158.7 | 28.9 | -33.4 | 0 | 0 | 0 | 109.7 | T853 | P851-T853 PolarHBondContact O-N 3Š| ||
| 852 | V | 25.4 | Very low | 38 | Very low | 132 Ų | 132 | 96.4 Ų | 96.4 | 80% | 0.8 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -0.9 | -160 | 177.8 | 0 | 0 | 0 | 0 | 114.9 | E854 | V852-E854 PolarHBondContact O-N 3.42Š|
| 853 | T | 25 | Very low | 35.6 | Very low | 128 Ų | 128 | 103 Ų | 103 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -12.6 | -166.1 | 47.8 | 0 | 0 | 0 | 0 | 117.1 | P851 | P851-T853 PolarHBondContact O-N 3Š|
| 854 | E | 23.4 | Very low | 33.4 | Very low | 162 Ų | 162 | 109.2 Ų | 109.2 | 76% | 0.757 | 64% | 0.636 | S | S | * | * | trans | -139.6 | 77 | -175.7 | -68.4 | -164.9 | 154.9 | 0 | 0 | 115.4 | V852 | V852-E854 PolarHBondContact O-N 3.42Š| ||
| 855 | V | 23.5 | Very low | 31.4 | Very low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | trans | -142.6 | 79.9 | 153.9 | -170 | 0 | 0 | 0 | 0 | 110.9 | A857 | V855-A857 PolarHBondContact O-N 3.1Š| ||
| 856 | T | 23.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 85% | 0.847 | 71% | 0.709 | S | S | * | * | trans | -83.4 | 105.4 | 164.6 | -41.8 | 0 | 0 | 0 | 0 | 108.9 | T858 | T856-T858 PolarHBondContact O-N 2.85Š| ||
| 857 | A | 23.5 | Very low | 27.9 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | -70.4 | 121.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V855 | V855-A857 PolarHBondContact O-N 3.1Š| ||
| 858 | T | 22.8 | Very low | 26.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -123.4 | 87.9 | 167 | 42 | 0 | 0 | 0 | 0 | 110.2 | T856 | T856-T858 PolarHBondContact O-N 2.85Š| ||
| 859 | T | 23.8 | Very low | 25.6 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -129.1 | 72.6 | 173.5 | 30.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 860 | E | 25.2 | Very low | 25 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -73.6 | 128.8 | 161.9 | -69.7 | -169.6 | 144 | 0 | 0 | 110.3 | G862 | E860-G862 PolarHBondContact O-N 3.07Š| ||
| 861 | T | 23.8 | Very low | 24.7 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 79.3 | 179.1 | 37.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 862 | G | 26.2 | Very low | 25.1 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 119.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E860 | E860-G862 PolarHBondContact O-N 3.07Š|
| 863 | T | 25.8 | Very low | 25.3 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 158.3 | -179 | 41.1 | 0 | 0 | 0 | 0 | 115 | ||
| 864 | T | 25.8 | Very low | 25.3 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 140.2 | -170 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 865 | R | 26 | Very low | 25.4 | Very low | 252 Ų | 252 | 152.2 Ų | 152.2 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | -158.1 | 155.3 | 127.1 | -110.2 | 165.8 | -170.1 | -171.3 | 2.9 | 112.3 | |||||
| 866 | K | 23.9 | Very low | 25.5 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -94.3 | 144.4 | 179 | -56.1 | 168.4 | -176.2 | 170.6 | 0 | 109.2 | ||||
| 867 | F | 24.8 | Very low | 25.6 | Very low | 171 Ų | 171 | 150.4 Ų | 150.4 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | -179 | 142.2 | 96.6 | -108.6 | -77.7 | 0 | 0 | 0 | 115.1 | |||||
| 868 | H | 24.7 | Very low | 25.7 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 61% | 0.606 | 81% | 0.805 | S | S | * | * | trans | 40.2 | 126.5 | 149 | -88.8 | -10.2 | 0 | 0 | 0 | 124.6 | ||||
| 869 | K | 24.2 | Very low | 25.9 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 70.4 | 142.3 | 134.3 | -64.4 | 164.8 | 176.9 | 161.9 | 0 | 116.5 | ||||
| 870 | S | 26.1 | Very low | 26 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | cis | -147.3 | 149.3 | 15.8 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 871 | R | 25 | Very low | 26 | Very low | 237 Ų | 237 | 150.7 Ų | 150.7 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -102.9 | 171.9 | 145.8 | -96.5 | -176.7 | 174.4 | -177.3 | -1.5 | 107.3 | ||||
| 872 | P | 35.7 | Very low | 26.1 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -119.9 | -159.5 | 14 | 24.8 | 1.9 | 0 | 0 | 0 | 111.1 | ||||
| 873 | V | 28.3 | Very low | 26.2 | Very low | 129 Ų | 129 | 152 Ų | 152 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | cis | -150.4 | 153.5 | 32.9 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 874 | N | 24.9 | Very low | 26.1 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 155.4 | 178.7 | -52.5 | -23.4 | 0 | 0 | 0 | 113.6 | ||||
| 875 | R | 26.9 | Very low | 26.3 | Very low | 246 Ų | 246 | 151.5 Ų | 151.5 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | -149.3 | 138.9 | 126.4 | -118.4 | 172.5 | -173.7 | 171.4 | 1.8 | 112.5 | |||||
| 876 | T | 24.9 | Very low | 26.1 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | -76 | 174.1 | 166.5 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 877 | S | 26.3 | Very low | 26.3 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | cis | -173 | 143.5 | 34.3 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 878 | T | 25.5 | Very low | 26.3 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 61.9 | 158.5 | 140.7 | 61.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 879 | K | 26.7 | Very low | 26.6 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | cis | -164.6 | 158.9 | 9.6 | -141.5 | 176.7 | -178 | -172.5 | 0 | 110.8 | ||||
| 880 | S | 25.6 | Very low | 26.7 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 59% | 0.594 | 79% | 0.788 | S | S | * | * | trans | 46.8 | 148 | 144.3 | 56.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 881 | D | 25 | Very low | 26.6 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | cis | -168.4 | 164.2 | -11.4 | -92.9 | -30.1 | 0 | 0 | 0 | 108.8 | ||||
| 882 | A | 27 | Very low | 26.7 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 155.5 | 167 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 883 | D | 27 | Very low | 26.3 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | cis | -140.8 | 175.6 | 1.3 | -141.3 | -32.2 | 0 | 0 | 0 | 112.3 | ||||
| 884 | A | 24.4 | Very low | 26.3 | Very low | 71 Ų | 71 | 144.8 Ų | 144.8 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | trans | -76.1 | 155.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 885 | H | 28.7 | Very low | 26.3 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -153 | 131.2 | 133.1 | -114.6 | -70.7 | 0 | 0 | 0 | 113.2 | ||||
| 886 | T | 23.6 | Very low | 26.2 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | -86.9 | 140.7 | -175.7 | -46.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 887 | F | 27.9 | Very low | 26.2 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | -136.6 | 111.7 | 152.9 | -117.8 | -86.6 | 0 | 0 | 0 | 110.2 | ||||
| 888 | S | 23.3 | Very low | 26.1 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 130.5 | 173.6 | 57 | 0 | 0 | 0 | 0 | 110.2 | ||
| 889 | V | 31 | Very low | 26 | Very low | 141 Ų | 141 | 153.4 Ų | 153.4 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 146.5 | 164.1 | 180 | 0 | 0 | 0 | 0 | 108.7 | ||
| 890 | R | 26.6 | Very low | 25.9 | Very low | 241 Ų | 241 | 153.7 Ų | 153.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.9 | -172.7 | -76.9 | 169.7 | 159.5 | 158.9 | -9.8 | 112.6 | ||
| 891 | N | 24.9 | Very low | 25.8 | Very low | 149 Ų | 149 | 160.6 Ų | 160.6 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.1 | 146.1 | -80 | -9 | 0 | 0 | 0 | 109.2 | T893 | N891-T893 HydrophobicContact CB-CG2 4.36Š|
| 892 | G | 27.4 | Very low | 25.9 | Very low | 83 Ų | 83 | 160.1 Ų | 160.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 120.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 893 | T | 27 | Very low | 25.7 | Very low | 125 Ų | 125 | 162 Ų | 162 | 77% | 0.767 | 83% | 0.834 | S | S | * | * | trans | -118.5 | 112.7 | -178.9 | 55 | 0 | 0 | 0 | 0 | 111.9 | N891 | N891-T893 HydrophobicContact CB-CG2 4.36Š| ||
| 894 | K | 28.1 | Very low | 25.6 | Very low | 201 Ų | 201 | 162.1 Ų | 162.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -110.3 | 144.8 | 151.6 | -79.9 | -178.1 | 176.9 | 176.3 | 0 | 108.7 | R896 | K894-R896 PolarHBondContact O-N 2.83Š| ||
| 895 | S | 25.5 | Very low | 25.7 | Very low | 126 Ų | 126 | 166.1 Ų | 166.1 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | 45.1 | 57.5 | 162.9 | -59.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 896 | R | 24 | Very low | 25.7 | Very low | 256 Ų | 256 | 162.8 Ų | 162.8 | 97% | 0.966 | 84% | 0.835 | S | S | * | * | trans | -113.8 | 94 | 135.7 | -110.5 | -176.3 | 178.8 | 175.3 | 1.3 | 110 | K894 | K894-R896 PolarHBondContact O-N 2.83Š| ||
| 897 | K | 25.1 | Very low | 25.9 | Very low | 204 Ų | 204 | 163 Ų | 163 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -103.9 | 158.1 | 162.7 | -90.5 | -177.4 | 175.9 | 175.1 | 0 | 108.9 | ||||
| 898 | L | 24.2 | Very low | 25.8 | Very low | 152 Ų | 152 | 158.4 Ų | 158.4 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | 71.4 | 61.3 | 167.2 | -140.8 | 79 | 0 | 0 | 0 | 117.6 | ||||
| 899 | M | 24.3 | Very low | 25.9 | Very low | 181 Ų | 181 | 160.6 Ų | 160.6 | 89% | 0.892 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -148.6 | 44.5 | 146.2 | -125.1 | -53.9 | 173.8 | 0 | 0 | 114.3 | ||
| 900 | H | 23.9 | Very low | 25.7 | Very low | 183 Ų | 183 | 158.5 Ų | 158.5 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -160.5 | 56.7 | 156.9 | -134.5 | -77.8 | 0 | 0 | 0 | 114.6 | ||
| 901 | R | 23.3 | Very low | 25.7 | Very low | 231 Ų | 231 | 158.8 Ų | 158.8 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -174.5 | 90.4 | 159.1 | -107.7 | 177.9 | -158.3 | -162.4 | 5.7 | 110 | ||
| 902 | L | 26.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 155.1 Ų | 155.1 | 76% | 0.759 | 83% | 0.829 | S | S | * | * | trans | -176.2 | 75.4 | 149.6 | -103.7 | 163.5 | 0 | 0 | 0 | 108 | ||||
| 903 | C | 24.2 | Very low | 25.6 | Very low | 132 Ų | 132 | 157.3 Ų | 157.3 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | trans | -95.2 | 78.1 | 159.2 | -69.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 904 | E | 24.8 | Very low | 25.5 | Very low | 161 Ų | 161 | 159.7 Ų | 159.7 | 75% | 0.752 | 83% | 0.833 | S | S | * | * | trans | -165.3 | 153.7 | 166.3 | -109.5 | 152.3 | -165.3 | 0 | 0 | 108.8 | ||||
| 905 | D | 26 | Very low | 25.4 | Very low | 156 Ų | 156 | 157.8 Ų | 157.8 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | trans | 56.7 | 69.5 | 171.6 | -61.6 | -16.4 | 0 | 0 | 0 | 119.6 | ||||
| 906 | V | 27.8 | Very low | 25.6 | Very low | 127 Ų | 127 | 159.6 Ų | 159.6 | 77% | 0.77 | 82% | 0.821 | S | S | * | * | trans | -105.3 | 112.4 | 144.5 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | C908 | V906-C908 PolarHBondContact O-N 3.44Š| ||
| 907 | P | 27.5 | Very low | 25.8 | Very low | 118 Ų | 118 | 151.7 Ų | 151.7 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 92.1 | -174.5 | 29.4 | -34.6 | 0 | 0 | 0 | 112.4 | V909 | P907-V909 PolarHBondContact O-N 2.97Å; P907-V909 VanDerWaalsContact O-N 3.15Å | ||
| 908 | C | 26.6 | Very low | 25.9 | Very low | 115 Ų | 115 | 147 Ų | 147 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -69 | 105.1 | 172.4 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | V906 S910 | V906-C908 PolarHBondContact O-N 3.44Å; C908-S910 PolarHBondContact O-N 3.38Å | ||
| 909 | V | 25 | Very low | 26.1 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 89.9 | 178 | -177 | 0 | 0 | 0 | 0 | 111.7 | P907 | P907-V909 PolarHBondContact O-N 2.97Å; P907-V909 VanDerWaalsContact O-N 3.15Å | ||
| 910 | S | 27 | Very low | 26.1 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | -160.8 | 119.1 | 149 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | C908 | C908-S910 PolarHBondContact O-N 3.38Š| ||
| 911 | R | 26.8 | Very low | 26.3 | Very low | 248 Ų | 248 | 139.3 Ų | 139.3 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | 62 | 115.6 | 155.1 | -63.3 | 179.2 | 174.9 | 170.2 | -3.2 | 118.2 | ||||
| 912 | G | 25.6 | Very low | 26.5 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -73 | 159.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 913 | C | 25.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | 38.5 | 99.1 | 162.9 | -57.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 914 | E | 24.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | -149.9 | 135.7 | 87.2 | -104.9 | -179 | 166.2 | 0 | 0 | 112.6 | |||||
| 915 | Q | 26.3 | Very low | 26.9 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 59.9 | 116.6 | 155.2 | -58.1 | -169.9 | 17.4 | 0 | 0 | 121.9 | ||||
| 916 | H | 29.1 | Very low | 27 | Very low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | 63.3 | 83.4 | 137.4 | -68.3 | -66.4 | 0 | 0 | 0 | 122.4 | ||||
| 917 | S | 27.3 | Very low | 27.1 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | 46.6 | 117.8 | 112.4 | 62 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 918 | S | 27.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | 92.3 | 132.2 | 129.1 | 67 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 919 | S | 29.2 | Very low | 27.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 60.2 | 113.4 | 153.8 | 53.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 920 | S | 23.1 | Very low | 27.5 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -78.1 | 132.2 | 154.4 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 921 | S | 28.9 | Very low | 27.7 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -136.6 | 157.7 | 156.7 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 922 | S | 27.6 | Very low | 27.7 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -73.2 | 150 | -169.4 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 923 | P | 30.9 | Very low | 27.9 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -85 | 150.8 | -164.4 | 33.8 | -37.1 | 0 | 0 | 0 | 114.5 | ||||
| 924 | L | 26.3 | Very low | 27.9 | Very low | 179 Ų | 179 | 131.1 Ų | 131.1 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -132.2 | 155 | 143.3 | -135.6 | 85.4 | 0 | 0 | 0 | 108.7 | ||||
| 925 | S | 27.7 | Very low | 28.2 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 146.2 | -165.4 | 55.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 926 | D | 26.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -120.1 | 111.4 | 158.2 | -124.5 | -24.4 | 0 | 0 | 0 | 112 | ||||
| 927 | I | 30.2 | Very low | 28.1 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | trans | 36.5 | 107.4 | 146.9 | -55.5 | 169.6 | 0 | 0 | 0 | 118.5 | ||||
| 928 | T | 28.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 130 Ų | 130 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | -141.8 | 148.1 | 118 | -7.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 929 | A | 30.2 | Very low | 28.5 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -75 | 165.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 930 | V | 29.2 | Very low | 28.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | cis | -171.4 | 155.1 | -39.1 | 116.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 931 | P | 32.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -105.2 | 175 | -158.5 | 40.2 | -37.2 | 0 | 0 | 0 | 117 | ||||
| 932 | N | 24.9 | Very low | 28.7 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 4.6 | 122.3 | 159.7 | -65.4 | -7.9 | 0 | 0 | 0 | 119.8 | ||||
| 933 | V | 30 | Very low | 28.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -138.1 | 138.1 | 141.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | V935 | V933-V935 HydrophobicContact CG1-CG2 4.36Š| ||
| 934 | S | 25 | Very low | 28.7 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -119.1 | 121.6 | 173 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 935 | V | 31 | Very low | 28.7 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -141.3 | 139.5 | 165.8 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | V933 | V933-V935 HydrophobicContact CG1-CG2 4.36Š| ||
| 936 | N | 27.7 | Very low | 28.8 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -82 | 148.3 | -171.9 | -70.1 | -46.6 | 0 | 0 | 0 | 113.6 | ||||
| 937 | G | 27.3 | Very low | 28.9 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | -163.2 | 66.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 938 | H | 27.2 | Very low | 28.8 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -75.5 | 159.4 | 172.8 | -100.6 | -11.6 | 0 | 0 | 0 | 111.7 | ||||
| 939 | P | 35.7 | Very low | 28.8 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | cis | -145.9 | 161.4 | 41.3 | 41.7 | -22.6 | 0 | 0 | 0 | 119.5 | ||||
| 940 | R | 27.1 | Very low | 28.7 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 44.9 | 141.7 | 133.7 | -61.5 | 178.7 | -178.2 | 174.9 | 0.1 | 120.4 | ||||
| 941 | T | 29 | Very low | 28.5 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | cis | -176.8 | 165.4 | 2.2 | 21 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 942 | S | 28.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | cis | -174.6 | 163.5 | -12 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 943 | S | 27.1 | Very low | 28 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 61 | 139.6 | 163.5 | 53.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 944 | S | 30.9 | Very low | 28 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | cis | -150.4 | 143.3 | 31.5 | 55.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 945 | D | 27.3 | Very low | 28.1 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | 26.3 | 125.8 | 147.1 | -47.3 | -19.7 | 0 | 0 | 0 | 122.3 | ||||
| 946 | Q | 29.8 | Very low | 27.8 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | -173.9 | 138.5 | 94.6 | -98.2 | -174 | 45.2 | 0 | 0 | 114.5 | |||||
| 947 | R | 27.8 | Very low | 27.7 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 60.2 | 112.1 | 149.9 | -64.3 | -169.7 | 166.1 | 133 | -0.6 | 120 | ||||
| 948 | E | 26.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | 77.9 | 131.8 | 95 | -71.4 | 172.1 | 127.1 | 0 | 0 | 113.8 | |||||
| 949 | H | 28.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | cis | -125.6 | 146.4 | 7.6 | -74 | -72.9 | 0 | 0 | 0 | 110.3 | ||||
| 950 | H | 28.6 | Very low | 26.9 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | 62.4 | 145.1 | 58.9 | -73.8 | -45.2 | 0 | 0 | 0 | 115.1 | |||||
| 951 | D | 24.7 | Very low | 26.9 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | cis | -178.5 | 166.8 | -35.4 | -118 | -40.3 | 0 | 0 | 0 | 108.5 | ||||
| 952 | Y | 26.2 | Very low | 26.7 | Very low | 218 Ų | 218 | 148 Ų | 148 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | trans | -162.9 | 88.1 | 151.1 | -118.8 | -72.3 | 0 | 0 | 0 | 114.3 | ||||
| 953 | E | 22.7 | Very low | 26.5 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -139.9 | 102.9 | 155.7 | -167.9 | -177.9 | -116 | 0 | 0 | 111.3 | ||||
| 954 | I | 29.3 | Very low | 26.5 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -148.9 | 141.9 | 168.4 | -58.2 | -177.2 | 0 | 0 | 0 | 106.3 | ||||
| 955 | G | 25.9 | Very low | 26.3 | Very low | 68 Ų | 68 | 152.3 Ų | 152.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 157.2 | 148.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 956 | K | 24.9 | Very low | 26.2 | Very low | 206 Ų | 206 | 153.2 Ų | 153.2 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -48 | 151.6 | -173 | -59.4 | 159.4 | -178.1 | 170 | 0 | 115.6 | ||||
| 957 | S | 25.3 | Very low | 25.9 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | trans | -123.7 | 132.4 | 141.2 | -80.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 958 | G | 24.7 | Very low | 25.9 | Very low | 75 Ų | 75 | 148.8 Ų | 148.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 149.5 | 69.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 959 | C | 24.5 | Very low | 25.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -99.4 | 124.5 | 166.8 | -69.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 960 | Y | 25.5 | Very low | 25.6 | Very low | 240 Ų | 240 | 145 Ų | 145 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | trans | -144.5 | 153.6 | 136.5 | -95.2 | -66.5 | 0 | 0 | 0 | 108.7 | ||||
| 961 | L | 27.6 | Very low | 25.6 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -75 | 174 | -176.8 | -131.7 | 73.4 | 0 | 0 | 0 | 111.4 | ||||
| 962 | K | 23.4 | Very low | 25.5 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -107.3 | 156.9 | -173 | -155.8 | -178.8 | 158.2 | -78.6 | 0 | 110.4 | ||||
| 963 | D | 24.5 | Very low | 25.5 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 64% | 0.642 | 80% | 0.798 | S | S | * | * | trans | 69.6 | 125.9 | 171.3 | -47.3 | -47.8 | 0 | 0 | 0 | 112.1 | ||||
| 964 | D | 28.3 | Very low | 25.7 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | -160 | 173.5 | 58.9 | -132.5 | -26 | 0 | 0 | 0 | 116 | |||||
| 965 | L | 26.6 | Very low | 25.4 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 50 | 109 | 157.2 | -99.9 | 63.6 | 0 | 0 | 0 | 124.1 | ||||
| 966 | H | 25.4 | Very low | 25.3 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | 57.6 | 107.7 | 119.2 | -83.5 | -94.2 | 0 | 0 | 0 | 124 | |||||
| 967 | S | 23 | Very low | 25.3 | Very low | 99 Ų | 99 | 156 Ų | 156 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | 53.3 | 105.5 | 129.8 | 63.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 968 | V | 28.2 | Very low | 25.2 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | -125.5 | 141 | 124.7 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 969 | S | 24.9 | Very low | 25.1 | Very low | 92 Ų | 92 | 158 Ų | 158 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | -116.9 | 144 | -167.1 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 970 | N | 24.4 | Very low | 25 | Very low | 113 Ų | 113 | 157.8 Ų | 157.8 | 60% | 0.604 | 80% | 0.798 | S | S | * | * | trans | 58.3 | 105.8 | 154.9 | -60.4 | -50.9 | 0 | 0 | 0 | 118.2 | ||||
| 971 | H | 27.5 | Very low | 25 | Very low | 198 Ų | 198 | 152.8 Ų | 152.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | -121.8 | 125.8 | 113.7 | -107.6 | -89.9 | 0 | 0 | 0 | 109.3 | |||||
| 972 | R | 23.3 | Very low | 24.7 | Very low | 214 Ų | 214 | 155.3 Ų | 155.3 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | trans | -99.7 | 123.7 | 176.9 | -70.8 | -179.9 | 177.1 | -177.4 | -1.8 | 109.2 | ||||
| 973 | L | 26.8 | Very low | 24.8 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -126.4 | 129.6 | 148.5 | -113.5 | 94.7 | 0 | 0 | 0 | 110.5 | ||||
| 974 | N | 25.4 | Very low | 24.9 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -12.6 | 115.6 | -180 | -61.9 | -29.2 | 0 | 0 | 0 | 119.2 | T976 | N974-T976 PolarHBondContact O-N 3.01Š| ||
| 975 | R | 22.7 | Very low | 25.1 | Very low | 251 Ų | 251 | 157 Ų | 157 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | trans | -61.6 | 114.8 | 155.4 | -76.2 | 177.6 | 169.1 | 170.7 | -5 | 110.3 | ||||
| 976 | T | 25.5 | Very low | 26 | Very low | 133 Ų | 133 | 157.3 Ų | 157.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 157.2 | 150.9 | 44.9 | 0 | 0 | 0 | 0 | 109.6 | N974 | N974-T976 PolarHBondContact O-N 3.01Š|
| 977 | R | 23.3 | Very low | 27.2 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 139.2 | -178.7 | -67.7 | 177 | 176 | 174.8 | -3.7 | 110.1 | V979 | R977-V979 PolarHBondContact O-N 3.42Š|
| 978 | P | 24.1 | Very low | 29.5 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 118.4 | 168.1 | 28.3 | -32.7 | 0 | 0 | 0 | 108.8 | S980 | P978-S980 PolarHBondContact O-N 3.4Š|
| 979 | V | 23.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 76% | 0.758 | 72% | 0.716 | S | S | * | * | trans | -72.3 | 112.1 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 107 | R977 I981 | R977-V979 PolarHBondContact O-N 3.42Å; V979-I981 HydrophobicContact CG1-CG1 4.1Å; V979-I981 PolarHBondContact O-N 2.93Å | ||
| 980 | S | 22.2 | Very low | 35.1 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -73 | 79.7 | 177.4 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | P978 R982 | P978-S980 PolarHBondContact O-N 3.4Å; S980-R982 PolarHBondContact O-N 2.97Å | ||
| 981 | I | 24.3 | Very low | 38.2 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | trans | -65.4 | 102.2 | 169.9 | -58.8 | 177.7 | 0 | 0 | 0 | 107.2 | V979 M983 | V979-I981 HydrophobicContact CG1-CG1 4.1Å; V979-I981 PolarHBondContact O-N 2.93Å; I981-M983 VanDerWaalsContact C-N 3.29Å; I981-M983 HydrophobicContact CG2-CG 4.1Å; I981-M983 PolarHBondContact O-N 2.66Å | ||
| 982 | R | 22.5 | Very low | 41.3 | Very low | 232 Ų | 232 | 127 Ų | 127 | 88% | 0.875 | 62% | 0.619 | S | S | * | * | trans | -64.9 | 97 | 158.5 | -79.2 | -175.6 | 172.1 | -176.1 | -3.5 | 106.7 | S980 L984 | S980-R982 PolarHBondContact O-N 2.97Å; R982-L984 PolarHBondContact O-N 3.17Å | ||
| 983 | M | 25 | Very low | 44.6 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | trans | -64.6 | 115.3 | 162 | -67.7 | -167 | -73.2 | 0 | 0 | 106.7 | I981 | I981-M983 VanDerWaalsContact C-N 3.29Å; I981-M983 HydrophobicContact CG2-CG 4.1Å; I981-M983 PolarHBondContact O-N 2.66Å | ||
| 984 | L | 25.8 | Very low | 47.6 | Very low | 150 Ų | 150 | 109 Ų | 109 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | trans | -59 | 157 | 153.5 | -88.4 | 68 | 0 | 0 | 0 | 107.9 | R982 R986 | R982-L984 PolarHBondContact O-N 3.17Å; L984-R986 PolarHBondContact O-N 3.42Å | ||
| 985 | D | 33.2 | Very low | 50.5 | Low | 161 Ų | 161 | 101.8 Ų | 101.8 | 86% | 0.861 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -48.4 | 134.1 | 178.9 | -67.7 | -70.1 | 0 | 0 | 0 | 111.4 | P987 | D985-P987 WeakPolarHBondContact O-CD 3.4Å; D985-P987 VanDerWaalsContact O-N 3.14Å |
| 986 | R | 44.7 | Very low | 53.4 | Low | 143 Ų | 143 | 92.8 Ų | 92.8 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -60.6 | 114.4 | -168.5 | -69.8 | 173 | 168.3 | 178.6 | -7.9 | 109.8 | L984 D1340 A1343 | L984-R986 PolarHBondContact O-N 3.42Å; R986-D1340 PolarHBondContact NH1-O 3.17Å; R986-D1340 PolarHBondContact NH2-O 3.22Å; R986-A1343 PolarHBondContact NH2-O 3.44Å | ||
| 987 | P | 51.8 | Low | 56.5 | Low | 51 Ų | 51 | 86.8 Ų | 86.8 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | trans | -64.7 | 142.5 | 162.6 | 29.6 | -33.1 | 0 | 0 | 0 | 108.1 | R749 D985 | R749-P987 HydrophobicContact CG-CB 4.4Å; R749-P987 HydrophobicContact CG-CG 4.09Å; R749-P987 VanDerWaalsContact NE-CG 3.34Å; D985-P987 WeakPolarHBondContact O-CD 3.4Å; D985-P987 VanDerWaalsContact O-N 3.14Å | ||
| 988 | D | 70.4 | Confident | 59.8 | Low | 86 Ų | 86 | 75.8 Ų | 75.8 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | trans | -69.8 | 162.5 | 176 | -139.2 | -35.6 | 0 | 0 | 0 | 109.9 | R749 K1015 | R749-D988 PolarHBondContact N-O 3.01Å; D988-K1015 IonicContact OD1-NZ 2.64Å; D988-K1015 PolarHBondContact OD1-NZ 2.88Å | ||
| 989 | F | 82.3 | Confident | 62.8 | Low | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.4 | -176.7 | 74 | -90.9 | 0 | 0 | 0 | 112.6 | R749 I751 L991 K1015 I1339 W1346 P1347 | R749-F989 HydrophobicContact CB-CB 3.91Å; R749-F989 CarbonylContact O-C 3.51Å; R749-F989 VanDerWaalsContact O-CA 3.22Å; R749-F989 WeakPolarHBondContact O-CA 3.37Å; I751-F989 HydrophobicContact CD1-CB 4.37Å; I751-F989 HydrophobicContact CD1-CD2 3.85Å; I751-F989 HydrophobicContact CD1-CE2 4.47Å; I751-F989 HydrophobicContact CD1-CG 4.26Å; F989-L991 HydrophobicContact CE2-CG 4.41Å; F989-K1015 HydrophobicContact CE1-CD 4.49Å; F989-K1015 HydrophobicContact CE2-CD 4.18Å; F989-K1015 HydrophobicContact CE2-CG 4.45Å; F989-K1015 HydrophobicContact CZ-CD 4.17Å; F989-K1015 WeakPolarHBondContact O-CD 3.49Å; F989-I1339 HydrophobicContact CE1-CG2 4.36Å; F989-I1339 HydrophobicContact CZ-CG2 3.88Å; F989-W1346 HydrophobicContact CE2-CZ3 4.3Å; F989-W1346 HydrophobicContact CZ-CE3 4.46Å; F989-W1346 HydrophobicContact CZ-CZ3 4.12Å; F989-P1347 HydrophobicContact CE2-CG 4.13Å; F989-P1347 HydrophobicContact CZ-CG 4.46Å |
| 990 | H | 88.1 | Confident | 65.9 | Low | 25 Ų | 25 | 67 Ų | 67 | 12% | 0.116 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.3 | -179 | -64.8 | -103.4 | 0 | 0 | 0 | 109.3 | I744 D748 R749 I751 T1017 | I744-H990 HydrophobicContact CD1-CB 4.26Å; I744-H990 HydrophobicContact CG1-CB 4.45Å; D748-H990 IonicContact OD2-NE2 2.69Å; D748-H990 PolarHBondContact OD2-NE2 3.01Å; R749-H990 PolarHBondContact O-N 3.48Å; I751-H990 PolarHBondContact N-O 3.03Å; H990-T1017 WeakPolarHBondContact ND1-CB 3.04Å; H990-T1017 PolarHBondContact ND1-OG1 3.23Å |
| 991 | L | 91.1 | Very high | 69.2 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 145 | 170.3 | -64.6 | 164 | 0 | 0 | 0 | 109.9 | I751 V753 F842 F989 L1012 K1015 G1016 T1017 W1346 | I751-L991 HydrophobicContact CB-CD2 3.88Å; I751-L991 HydrophobicContact CG2-CD2 3.75Å; I751-L991 WeakPolarHBondContact O-CA 3.23Å; V753-L991 HydrophobicContact CG2-CB 4.31Å; V753-L991 HydrophobicContact CG2-CD2 3.76Å; F842-L991 HydrophobicContact CD1-CD2 3.97Å; F842-L991 HydrophobicContact CE1-CD2 4.07Å; F989-L991 HydrophobicContact CE2-CG 4.41Å; L991-L1012 HydrophobicContact CD1-CD2 4.06Å; L991-K1015 HydrophobicContact CD1-CB 3.82Å; L991-K1015 HydrophobicContact CG-CB 4.29Å; L991-K1015 PolarHBondContact N-O 3.12Å; L991-G1016 CarbonylContact O-C 3.47Å; L991-G1016 VanDerWaalsContact O-CA 3.31Å; L991-G1016 WeakPolarHBondContact O-CA 3.32Å; L991-T1017 PolarHBondContact O-N 3.41Å; L991-W1346 HydrophobicContact CD1-CH2 3.9Å |
| 992 | A | 92 | Very high | 72.2 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | M731 L735 I750 I751 L752 V753 V1018 | M731-A992 HydrophobicContact CE-CB 4.29Å; M731-A992 HydrophobicContact SD-CB 3.81Å; L735-A992 HydrophobicContact CD1-CB 4.5Å; L735-A992 HydrophobicContact CD2-CB 3.82Å; I750-A992 HydrophobicContact CG2-CB 4.46Å; I751-A992 PolarHBondContact O-N 3.35Å; L752-A992 HydrophobicContact CD2-CB 4.08Å; V753-A992 PolarHBondContact N-O 3.29Å; A992-V1018 WeakPolarHBondContact CA-O 3.44Å; A992-V1018 HydrophobicContact CB-CB 4.33Å |
| 993 | I | 92.5 | Very high | 75.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.1 | -163 | -47.4 | -173.3 | 0 | 0 | 0 | 110.9 | M731 V753 T997 W998 L1012 V1018 F1019 A1020 | M731-I993 WeakPolarHBondContact CE-O 3.37Å; V753-I993 HydrophobicContact CB-CG1 4.13Å; V753-I993 HydrophobicContact CG2-CD1 4.22Å; V753-I993 HydrophobicContact CG2-CG1 3.93Å; I993-T997 HydrophobicContact CG2-CG2 4.11Å; I993-W998 HydrophobicContact CG2-CB 4.42Å; I993-L1012 HydrophobicContact CD1-CB 3.79Å; I993-L1012 HydrophobicContact CD1-CD1 4.22Å; I993-L1012 HydrophobicContact CD1-CD2 3.93Å; I993-L1012 HydrophobicContact CD1-CG 4.18Å; I993-V1018 PolarHBondContact N-O 3.48Å; I993-F1019 HydrophobicContact CB-CD1 4.13Å; I993-F1019 HydrophobicContact CB-CE1 4.33Å; I993-F1019 HydrophobicContact CD1-CE1 3.98Å; I993-F1019 HydrophobicContact CG1-CE1 4.37Å; I993-F1019 WeakPolarHBondContact O-CA 3.47Å; I993-A1020 PolarHBondContact O-N 3.17Å; I993-A1020 VanDerWaalsContact O-N 3.12Å |
| 994 | S | 90.4 | Very high | 78.2 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 153.8 | 176.6 | 84.4 | 0 | 0 | 0 | 0 | 112.4 | K996 T997 W998 A1020 | S994-K996 VanDerWaalsContact C-N 3.27Å; S994-K996 PolarHBondContact O-N 3.47Å; S994-K996 PolarHBondContact OG-N 3.31Å; S994-T997 PolarHBondContact O-N 3.19Å; S994-T997 WeakPolarHBondContact OG-CB 3.5Å; S994-T997 PolarHBondContact OG-N 3.25Å; S994-T997 PolarHBondContact OG-OG1 3.41Å; S994-W998 WeakPolarHBondContact O-CB 3.36Å; S994-W998 PolarHBondContact O-N 3.43Å; S994-A1020 CarbonylContact C-O 3.58Å; S994-A1020 VanDerWaalsContact CA-O 3.32Å; S994-A1020 WeakPolarHBondContact CA-O 3.45Å |
| 995 | G | 85.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -33.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A999 A1020 Q1026 | G995-A999 PolarHBondContact O-N 3.47Å; G995-A999 VanDerWaalsContact O-N 3.15Å; G995-A1020 PolarHBondContact N-O 2.93Å; G995-Q1026 PolarHBondContact O-NE2 2.91Å |
| 996 | K | 84.3 | Confident | 83.7 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 27% | 0.265 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.6 | -48.8 | 173.7 | -179.6 | -180 | 172.8 | -176.5 | 0 | 111.1 | S994 W998 A999 I1000 E1361 | S994-K996 VanDerWaalsContact C-N 3.27Å; S994-K996 PolarHBondContact O-N 3.47Å; S994-K996 PolarHBondContact OG-N 3.31Å; K996-W998 VanDerWaalsContact C-N 3.32Å; K996-W998 PolarHBondContact O-N 2.86Å; K996-A999 PolarHBondContact O-N 3.39Å; K996-I1000 HydrophobicContact CG-CD1 4.23Å; K996-I1000 WeakPolarHBondContact O-CG1 3.38Å; K996-I1000 PolarHBondContact O-N 3Å; K996-E1361 IonicContact NZ-OE2 3.02Å; K996-E1361 PolarHBondContact NZ-OE2 2.87Å |
| 997 | T | 90.4 | Very high | 85.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 176.9 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | V753 A755 I993 S994 A999 I1000 I1001 | V753-T997 HydrophobicContact CG1-CG2 4.21Å; V753-T997 WeakPolarHBondContact O-CG2 3.37Å; A755-T997 HydrophobicContact CB-CG2 3.92Å; I993-T997 HydrophobicContact CG2-CG2 4.11Å; S994-T997 PolarHBondContact O-N 3.19Å; S994-T997 WeakPolarHBondContact OG-CB 3.5Å; S994-T997 PolarHBondContact OG-N 3.25Å; S994-T997 PolarHBondContact OG-OG1 3.41Å; T997-A999 PolarHBondContact O-N 2.79Å; T997-I1000 PolarHBondContact O-N 2.7Å; T997-I1001 HydrophobicContact CG2-CD1 3.7Å; T997-I1001 HydrophobicContact CG2-CG1 4.36Å; T997-I1001 WeakPolarHBondContact O-CB 3.37Å; T997-I1001 VanDerWaalsContact O-CG1 3.31Å; T997-I1001 WeakPolarHBondContact O-CG1 3.34Å; T997-I1001 PolarHBondContact O-N 2.85Å |
| 998 | W | 91.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 178.6 | 178.4 | -101.7 | 0 | 0 | 0 | 112.8 | I993 S994 K996 I1001 R1002 I1009 V1013 F1019 F1022 L1030 | I993-W998 HydrophobicContact CG2-CB 4.42Å; S994-W998 WeakPolarHBondContact O-CB 3.36Å; S994-W998 PolarHBondContact O-N 3.43Å; K996-W998 VanDerWaalsContact C-N 3.32Å; K996-W998 PolarHBondContact O-N 2.86Å; W998-I1001 PolarHBondContact O-N 3.07Å; W998-R1002 WeakPolarHBondContact O-CB 3.3Å; W998-R1002 PolarHBondContact O-N 2.91Å; W998-I1009 HydrophobicContact CH2-CD1 4.48Å; W998-I1009 HydrophobicContact CH2-CG1 4.35Å; W998-I1009 HydrophobicContact CH2-CG2 3.91Å; W998-I1009 HydrophobicContact CZ3-CG1 4.4Å; W998-I1009 HydrophobicContact CZ3-CG2 4.45Å; W998-V1013 HydrophobicContact CH2-CG2 3.7Å; W998-V1013 HydrophobicContact CZ3-CG2 3.99Å; W998-F1019 HydrophobicContact CE3-CE1 4.4Å; W998-F1019 HydrophobicContact CZ3-CE1 4.3Å; W998-F1022 HydrophobicContact CB-CE1 4.42Å; W998-F1022 HydrophobicContact CB-CE2 3.93Å; W998-F1022 HydrophobicContact CB-CZ 3.54Å; W998-F1022 AromaticContact CD1-CE1 3.87Å; W998-F1022 AromaticContact CD1-CZ 3.82Å; W998-F1022 HydrophobicContact CD2-CE1 4.15Å; W998-F1022 AromaticContact CD2-CZ 3.74Å; W998-F1022 HydrophobicContact CD2-CZ 3.74Å; W998-F1022 HydrophobicContact CE3-CZ 4.25Å; W998-F1022 AromaticContact CG-CE1 3.91Å; W998-F1022 HydrophobicContact CG-CE1 3.91Å; W998-F1022 HydrophobicContact CG-CE2 4.28Å; W998-F1022 AromaticContact CG-CZ 3.4Å; W998-F1022 HydrophobicContact CG-CZ 3.4Å; W998-F1022 VanDerWaalsContact CG-CZ 3.4Å; W998-L1030 HydrophobicContact CH2-CD1 4.03Å; W998-L1030 HydrophobicContact CZ2-CB 4.5Å; W998-L1030 HydrophobicContact CZ2-CD1 4.43Å; W998-L1030 HydrophobicContact CZ3-CD1 4.44Å |
| 999 | A | 87 | Confident | 88.2 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -51.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G995 K996 T997 I1001 R1002 E1003 | G995-A999 PolarHBondContact O-N 3.47Å; G995-A999 VanDerWaalsContact O-N 3.15Å; K996-A999 PolarHBondContact O-N 3.39Å; T997-A999 PolarHBondContact O-N 2.79Å; A999-I1001 VanDerWaalsContact C-N 3.3Å; A999-I1001 PolarHBondContact O-N 3.16Å; A999-R1002 PolarHBondContact O-N 2.91Å; A999-R1002 VanDerWaalsContact O-N 3.12Å; A999-E1003 PolarHBondContact O-N 3.39Å |
| 1000 | I | 89.2 | Confident | 88.6 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 178.7 | -64 | 165 | 0 | 0 | 0 | 111 | A755 K996 T997 Y1004 Y1005 | A755-I1000 HydrophobicContact CB-CG2 4.07Å; A755-I1000 WeakPolarHBondContact O-CD1 3.19Å; K996-I1000 HydrophobicContact CG-CD1 4.23Å; K996-I1000 WeakPolarHBondContact O-CG1 3.38Å; K996-I1000 PolarHBondContact O-N 3Å; T997-I1000 PolarHBondContact O-N 2.7Å; I1000-Y1004 HydrophobicContact CG2-CD2 4.13Å; I1000-Y1004 WeakPolarHBondContact O-CB 3.45Å; I1000-Y1004 WeakPolarHBondContact O-CD2 3.26Å; I1000-Y1004 PolarHBondContact O-N 3.23Å; I1000-Y1005 HydrophobicContact CG2-CD2 4.4Å; I1000-Y1005 HydrophobicContact CG2-CE2 4.07Å |
| 1001 | I | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 177.9 | -69.8 | 175.2 | 0 | 0 | 0 | 112 | V753 A755 T997 W998 A999 Y1005 P1006 L1008 I1009 L1012 | V753-I1001 HydrophobicContact CG1-CD1 4.03Å; A755-I1001 HydrophobicContact CB-CD1 4Å; A755-I1001 HydrophobicContact CB-CG1 3.67Å; T997-I1001 HydrophobicContact CG2-CD1 3.7Å; T997-I1001 HydrophobicContact CG2-CG1 4.36Å; T997-I1001 WeakPolarHBondContact O-CB 3.37Å; T997-I1001 VanDerWaalsContact O-CG1 3.31Å; T997-I1001 WeakPolarHBondContact O-CG1 3.34Å; T997-I1001 PolarHBondContact O-N 2.85Å; W998-I1001 PolarHBondContact O-N 3.07Å; A999-I1001 VanDerWaalsContact C-N 3.3Å; A999-I1001 PolarHBondContact O-N 3.16Å; I1001-Y1005 HydrophobicContact CG1-CD2 4.4Å; I1001-Y1005 CarbonylContact O-C 3.54Å; I1001-Y1005 VanDerWaalsContact O-CA 3.29Å; I1001-Y1005 WeakPolarHBondContact O-CA 3.36Å; I1001-Y1005 PolarHBondContact O-N 2.9Å; I1001-P1006 VanDerWaalsContact O-N 3.16Å; I1001-L1008 HydrophobicContact CD1-CD2 4.49Å; I1001-L1008 HydrophobicContact CG2-CB 4.34Å; I1001-I1009 HydrophobicContact CG2-CG1 4.04Å; I1001-L1012 HydrophobicContact CD1-CD1 3.72Å; I1001-L1012 HydrophobicContact CG2-CD1 3.75Å |
| 1002 | R | 88.3 | Confident | 88.5 | Confident | 120 Ų | 120 | 40.1 Ų | 40.1 | 45% | 0.453 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -70.8 | -31.1 | 178.1 | -170.5 | 171.2 | -179.2 | -117.2 | -4.7 | 113.1 | W998 A999 I1009 | W998-R1002 WeakPolarHBondContact O-CB 3.3Å; W998-R1002 PolarHBondContact O-N 2.91Å; A999-R1002 PolarHBondContact O-N 2.91Å; A999-R1002 VanDerWaalsContact O-N 3.12Å; R1002-I1009 HydrophobicContact CB-CD1 3.95Å; R1002-I1009 HydrophobicContact CG-CD1 3.94Å |
| 1003 | E | 86.5 | Confident | 88.5 | Confident | 127 Ų | 127 | 40.1 Ų | 40.1 | 59% | 0.593 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -82.7 | -49.7 | 178.9 | -169.5 | -178.9 | 162.5 | 0 | 0 | 112.4 | A999 | A999-E1003 PolarHBondContact O-N 3.39Å |
| 1004 | Y | 86.9 | Confident | 88.4 | Confident | 92 Ų | 92 | 40.4 Ų | 40.4 | 36% | 0.361 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -105.8 | -23.2 | -170.3 | -61.3 | -81.1 | 0 | 0 | 0 | 115 | P757 P758 I1000 P1006 W1007 | P757-Y1004 HydrophobicContact CB-CD2 4.26Å; P757-Y1004 HydrophobicContact CB-CE2 4.02Å; P758-Y1004 HydrophobicContact CG-CD1 3.63Å; P758-Y1004 HydrophobicContact CG-CE1 4.14Å; P758-Y1004 HydrophobicContact CG-CG 4.31Å; I1000-Y1004 HydrophobicContact CG2-CD2 4.13Å; I1000-Y1004 WeakPolarHBondContact O-CB 3.45Å; I1000-Y1004 WeakPolarHBondContact O-CD2 3.26Å; I1000-Y1004 PolarHBondContact O-N 3.23Å; Y1004-P1006 VanDerWaalsContact C-CD 3.43Å; Y1004-W1007 WeakPolarHBondContact O-CZ3 3.19Å |
| 1005 | Y | 87.7 | Confident | 88.4 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | trans | -131.2 | 42.1 | -172 | -49.9 | -74.7 | 0 | 0 | 0 | 114.1 | K756 L839 V840 I1000 I1001 W1007 L1008 | K756-Y1005 VanDerWaalsContact O-CE2 3.29Å; K756-Y1005 WeakPolarHBondContact O-CE2 3.03Å; K756-Y1005 PolarHBondContact O-OH 3.4Å; L839-Y1005 WeakPolarHBondContact CB-OH 3.4Å; V840-Y1005 HydrophobicContact CG2-CD1 4.21Å; V840-Y1005 HydrophobicContact CG2-CD2 3.94Å; V840-Y1005 HydrophobicContact CG2-CE1 4.33Å; V840-Y1005 HydrophobicContact CG2-CE2 4.04Å; V840-Y1005 HydrophobicContact CG2-CG 4.03Å; I1000-Y1005 HydrophobicContact CG2-CD2 4.4Å; I1000-Y1005 HydrophobicContact CG2-CE2 4.07Å; I1001-Y1005 HydrophobicContact CG1-CD2 4.4Å; I1001-Y1005 CarbonylContact O-C 3.54Å; I1001-Y1005 VanDerWaalsContact O-CA 3.29Å; I1001-Y1005 WeakPolarHBondContact O-CA 3.36Å; I1001-Y1005 PolarHBondContact O-N 2.9Å; Y1005-W1007 AromaticContact CD1-CH2 3.63Å; Y1005-W1007 HydrophobicContact CD1-CH2 3.63Å; Y1005-W1007 AromaticContact CD1-CZ2 3.77Å; Y1005-W1007 HydrophobicContact CD1-CZ2 3.77Å; Y1005-W1007 HydrophobicContact CD1-CZ3 4.5Å; Y1005-W1007 HydrophobicContact CE1-CH2 4.46Å; Y1005-W1007 HydrophobicContact CG-CH2 4.44Å; Y1005-W1007 PolarHBondContact O-N 3.42Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.3Å; Y1005-L1008 PolarHBondContact O-N 2.99Å | ||
| 1006 | P | 85.8 | Confident | 88.6 | Confident | 69 Ų | 69 | 40.8 Ų | 40.8 | 45% | 0.448 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -62.8 | -24 | -165.9 | 24.8 | -35.8 | 0 | 0 | 0 | 114.4 | I1001 Y1004 L1008 I1009 | I1001-P1006 VanDerWaalsContact O-N 3.16Å; Y1004-P1006 VanDerWaalsContact C-CD 3.43Å; P1006-L1008 PolarHBondContact O-N 2.84Å; P1006-I1009 WeakPolarHBondContact O-CB 3.43Å; P1006-I1009 PolarHBondContact O-N 2.85Å |
| 1007 | W | 86.1 | Confident | 89.1 | Confident | 163 Ų | 163 | 38.1 Ų | 38.1 | 62% | 0.617 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -63.4 | -17.6 | 175 | 65.8 | 88.5 | 0 | 0 | 0 | 113.7 | Y1004 Y1005 P1010 | Y1004-W1007 WeakPolarHBondContact O-CZ3 3.19Å; Y1005-W1007 AromaticContact CD1-CH2 3.63Å; Y1005-W1007 HydrophobicContact CD1-CH2 3.63Å; Y1005-W1007 AromaticContact CD1-CZ2 3.77Å; Y1005-W1007 HydrophobicContact CD1-CZ2 3.77Å; Y1005-W1007 HydrophobicContact CD1-CZ3 4.5Å; Y1005-W1007 HydrophobicContact CE1-CH2 4.46Å; Y1005-W1007 HydrophobicContact CG-CH2 4.44Å; Y1005-W1007 PolarHBondContact O-N 3.42Å; W1007-P1010 WeakPolarHBondContact O-CD 3.41Å |
| 1008 | L | 87 | Confident | 89.3 | Confident | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -83.9 | -24.9 | 179.8 | -160.6 | 65.5 | 0 | 0 | 0 | 112.4 | V840 F842 I1001 Y1005 P1006 P1010 K1011 L1012 | V840-L1008 HydrophobicContact CG1-CD2 3.78Å; F842-L1008 HydrophobicContact CZ-CD2 4.35Å; I1001-L1008 HydrophobicContact CD1-CD2 4.49Å; I1001-L1008 HydrophobicContact CG2-CB 4.34Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.3Å; Y1005-L1008 PolarHBondContact O-N 2.99Å; P1006-L1008 PolarHBondContact O-N 2.84Å; L1008-P1010 VanDerWaalsContact C-CD 3.5Å; L1008-K1011 PolarHBondContact O-N 3.1Å; L1008-K1011 VanDerWaalsContact O-N 3.1Å; L1008-L1012 HydrophobicContact CB-CD1 4.32Å; L1008-L1012 HydrophobicContact CD2-CD1 4.04Å; L1008-L1012 HydrophobicContact CD2-CD2 4.47Å; L1008-L1012 HydrophobicContact CD2-CG 4.42Å; L1008-L1012 HydrophobicContact CG-CD1 3.93Å; L1008-L1012 HydrophobicContact CG-CD2 4.39Å; L1008-L1012 HydrophobicContact CG-CG 4Å; L1008-L1012 WeakPolarHBondContact O-CG 3.34Å; L1008-L1012 PolarHBondContact O-N 3.14Å; L1008-L1012 VanDerWaalsContact O-N 3.14Å |
| 1009 | I | 89.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 37.9 Ų | 37.9 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.2 | -48.7 | -177.7 | -73 | 178.7 | 0 | 0 | 0 | 113.1 | W998 I1001 R1002 P1006 K1011 L1012 V1013 | W998-I1009 HydrophobicContact CH2-CD1 4.48Å; W998-I1009 HydrophobicContact CH2-CG1 4.35Å; W998-I1009 HydrophobicContact CH2-CG2 3.91Å; W998-I1009 HydrophobicContact CZ3-CG1 4.4Å; W998-I1009 HydrophobicContact CZ3-CG2 4.45Å; I1001-I1009 HydrophobicContact CG2-CG1 4.04Å; R1002-I1009 HydrophobicContact CB-CD1 3.95Å; R1002-I1009 HydrophobicContact CG-CD1 3.94Å; P1006-I1009 WeakPolarHBondContact O-CB 3.43Å; P1006-I1009 PolarHBondContact O-N 2.85Å; I1009-K1011 VanDerWaalsContact C-N 3.28Å; I1009-K1011 PolarHBondContact O-N 3.31Å; I1009-L1012 PolarHBondContact O-N 3.12Å; I1009-V1013 HydrophobicContact CG2-CG2 3.83Å; I1009-V1013 WeakPolarHBondContact O-CB 3.37Å; I1009-V1013 VanDerWaalsContact O-CG2 3.27Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.46Å; I1009-V1013 PolarHBondContact O-N 3.19Å |
| 1010 | P | 89.4 | Confident | 89.6 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 28% | 0.279 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.4 | -37.5 | -177.8 | -25.3 | 35.5 | 0 | 0 | 0 | 113.3 | W1007 L1008 V1014 V1037 I1335 | W1007-P1010 WeakPolarHBondContact O-CD 3.41Å; L1008-P1010 VanDerWaalsContact C-CD 3.5Å; P1010-V1014 WeakPolarHBondContact O-CG2 3.36Å; P1010-V1014 PolarHBondContact O-N 3Å; P1010-V1037 HydrophobicContact CB-CG1 3.85Å; P1010-I1335 HydrophobicContact CB-CD1 3.57Å; P1010-I1335 HydrophobicContact CB-CG1 4.49Å |
| 1011 | K | 87.6 | Confident | 89.3 | Confident | 44 Ų | 44 | 39.2 Ų | 39.2 | 19% | 0.191 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.7 | -42 | 178.1 | -69 | 178.7 | 176.8 | 179.8 | 0 | 111.9 | L1008 I1009 V1014 K1015 I1335 E1338 I1339 W1346 | L1008-K1011 PolarHBondContact O-N 3.1Å; L1008-K1011 VanDerWaalsContact O-N 3.1Å; I1009-K1011 VanDerWaalsContact C-N 3.28Å; I1009-K1011 PolarHBondContact O-N 3.31Å; K1011-V1014 PolarHBondContact O-N 3Å; K1011-K1015 PolarHBondContact O-N 2.84Å; K1011-I1335 HydrophobicContact CB-CG2 4.46Å; K1011-I1335 HydrophobicContact CG-CG2 3.93Å; K1011-E1338 WeakPolarHBondContact CE-OE1 3.45Å; K1011-E1338 IonicContact NZ-OE1 2.59Å; K1011-E1338 PolarHBondContact NZ-OE1 3.23Å; K1011-I1339 HydrophobicContact CB-CD1 4.16Å; K1011-I1339 HydrophobicContact CG-CD1 4.3Å; K1011-I1339 HydrophobicContact CG-CG1 4.49Å; K1011-W1346 HydrophobicContact CB-CH2 3.87Å; K1011-W1346 HydrophobicContact CB-CZ2 3.75Å; K1011-W1346 HydrophobicContact CD-CZ2 4.32Å |
| 1012 | L | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 177.6 | -63.5 | 173.5 | 0 | 0 | 0 | 111.9 | V753 F842 L991 I993 I1001 L1008 I1009 V1014 K1015 G1016 | V753-L1012 HydrophobicContact CG1-CD2 4.32Å; V753-L1012 HydrophobicContact CG2-CD2 4.14Å; F842-L1012 HydrophobicContact CE1-CD2 4.21Å; F842-L1012 HydrophobicContact CZ-CD2 4.46Å; L991-L1012 HydrophobicContact CD1-CD2 4.06Å; I993-L1012 HydrophobicContact CD1-CB 3.79Å; I993-L1012 HydrophobicContact CD1-CD1 4.22Å; I993-L1012 HydrophobicContact CD1-CD2 3.93Å; I993-L1012 HydrophobicContact CD1-CG 4.18Å; I1001-L1012 HydrophobicContact CD1-CD1 3.72Å; I1001-L1012 HydrophobicContact CG2-CD1 3.75Å; L1008-L1012 HydrophobicContact CB-CD1 4.32Å; L1008-L1012 HydrophobicContact CD2-CD1 4.04Å; L1008-L1012 HydrophobicContact CD2-CD2 4.47Å; L1008-L1012 HydrophobicContact CD2-CG 4.42Å; L1008-L1012 HydrophobicContact CG-CD1 3.93Å; L1008-L1012 HydrophobicContact CG-CD2 4.39Å; L1008-L1012 HydrophobicContact CG-CG 4Å; L1008-L1012 WeakPolarHBondContact O-CG 3.34Å; L1008-L1012 PolarHBondContact O-N 3.14Å; L1008-L1012 VanDerWaalsContact O-N 3.14Å; I1009-L1012 PolarHBondContact O-N 3.12Å; L1012-V1014 VanDerWaalsContact C-N 3.33Å; L1012-V1014 PolarHBondContact O-N 3.4Å; L1012-K1015 PolarHBondContact O-N 3.33Å; L1012-G1016 VanDerWaalsContact O-CA 3.25Å; L1012-G1016 WeakPolarHBondContact O-CA 3.46Å; L1012-G1016 PolarHBondContact O-N 2.97Å |
| 1013 | V | 92 | Very high | 88.6 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -33.8 | -178.6 | 168.5 | 0 | 0 | 0 | 0 | 112.2 | R722 W998 I1009 L1030 L1034 V1037 | R722-V1013 PolarHBondContact NH1-O 3.4Å; W998-V1013 HydrophobicContact CH2-CG2 3.7Å; W998-V1013 HydrophobicContact CZ3-CG2 3.99Å; I1009-V1013 HydrophobicContact CG2-CG2 3.83Å; I1009-V1013 WeakPolarHBondContact O-CB 3.37Å; I1009-V1013 VanDerWaalsContact O-CG2 3.27Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.46Å; I1009-V1013 PolarHBondContact O-N 3.19Å; V1013-L1030 HydrophobicContact CG2-CD1 4.15Å; V1013-L1034 HydrophobicContact CG1-CB 4.24Å; V1013-L1034 HydrophobicContact CG1-CD2 3.4Å; V1013-L1034 HydrophobicContact CG1-CG 3.63Å; V1013-V1037 HydrophobicContact CG1-CG2 4.3Å |
| 1014 | V | 90.2 | Very high | 88.1 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.036 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.3 | -31.7 | 179.9 | 168.5 | 0 | 0 | 0 | 0 | 113.6 | R722 P1010 K1011 L1012 V1037 Y1039 I1335 R1336 | R722-V1014 PolarHBondContact NH2-O 3.48Å; P1010-V1014 WeakPolarHBondContact O-CG2 3.36Å; P1010-V1014 PolarHBondContact O-N 3Å; K1011-V1014 PolarHBondContact O-N 3Å; L1012-V1014 VanDerWaalsContact C-N 3.33Å; L1012-V1014 PolarHBondContact O-N 3.4Å; V1014-V1037 HydrophobicContact CG2-CG2 4.38Å; V1014-Y1039 HydrophobicContact CG2-CE2 4.04Å; V1014-I1335 HydrophobicContact CB-CG2 4.02Å; V1014-I1335 HydrophobicContact CG1-CG2 4.23Å; V1014-I1335 HydrophobicContact CG2-CB 4.2Å; V1014-I1335 HydrophobicContact CG2-CD1 4.39Å; V1014-I1335 HydrophobicContact CG2-CG2 3.86Å; V1014-R1336 HydrophobicContact CG1-CB 3.95Å; V1014-R1336 HydrophobicContact CG1-CG 4.31Å |
| 1015 | K | 89.2 | Confident | 87.7 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -113.2 | -9.2 | 179.6 | -79.1 | -91.5 | -178.7 | 164.2 | 0 | 115.1 | D988 F989 L991 K1011 L1012 T1017 I1339 D1340 | D988-K1015 IonicContact OD1-NZ 2.64Å; D988-K1015 PolarHBondContact OD1-NZ 2.88Å; F989-K1015 HydrophobicContact CE1-CD 4.49Å; F989-K1015 HydrophobicContact CE2-CD 4.18Å; F989-K1015 HydrophobicContact CE2-CG 4.45Å; F989-K1015 HydrophobicContact CZ-CD 4.17Å; F989-K1015 WeakPolarHBondContact O-CD 3.49Å; L991-K1015 HydrophobicContact CD1-CB 3.82Å; L991-K1015 HydrophobicContact CG-CB 4.29Å; L991-K1015 PolarHBondContact N-O 3.12Å; K1011-K1015 PolarHBondContact O-N 2.84Å; L1012-K1015 PolarHBondContact O-N 3.33Å; K1015-T1017 PolarHBondContact O-N 3.08Å; K1015-I1339 HydrophobicContact CG-CD1 4.13Å; K1015-I1339 HydrophobicContact CG-CG2 4.39Å; K1015-D1340 IonicContact NZ-OD1 3.71Å |
| 1016 | G | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R722 L991 L1012 F1019 | R722-G1016 PolarHBondContact NH2-O 3.45Å; L991-G1016 CarbonylContact O-C 3.47Å; L991-G1016 VanDerWaalsContact O-CA 3.31Å; L991-G1016 WeakPolarHBondContact O-CA 3.32Å; L1012-G1016 VanDerWaalsContact O-CA 3.25Å; L1012-G1016 WeakPolarHBondContact O-CA 3.46Å; L1012-G1016 PolarHBondContact O-N 2.97Å; G1016-F1019 WeakPolarHBondContact O-CE2 3.35Å |
| 1017 | T | 94.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -25.7 | -175.6 | -74.8 | 0 | 0 | 0 | 0 | 112.8 | M725 M743 I744 H990 L991 K1015 | M725-T1017 PolarHBondContact N-O 3.45Å; M743-T1017 HydrophobicContact CG-CG2 3.91Å; M743-T1017 HydrophobicContact SD-CG2 3.93Å; I744-T1017 HydrophobicContact CD1-CG2 4.36Å; I744-T1017 HydrophobicContact CG1-CG2 3.96Å; H990-T1017 WeakPolarHBondContact ND1-CB 3.04Å; H990-T1017 PolarHBondContact ND1-OG1 3.23Å; L991-T1017 PolarHBondContact O-N 3.41Å; K1015-T1017 PolarHBondContact O-N 3.08Å |
| 1018 | V | 94.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.4 | 177 | 177 | 0 | 0 | 0 | 0 | 110 | M725 M731 A734 L735 A738 I744 A992 I993 A1020 | M725-V1018 HydrophobicContact CB-CG2 4.36Å; M731-V1018 HydrophobicContact SD-CG1 4.25Å; A734-V1018 HydrophobicContact CB-CG1 3.67Å; L735-V1018 HydrophobicContact CD2-CB 4.03Å; L735-V1018 HydrophobicContact CD2-CG1 4.21Å; L735-V1018 HydrophobicContact CD2-CG2 3.99Å; A738-V1018 HydrophobicContact CB-CG2 3.74Å; I744-V1018 HydrophobicContact CD1-CG2 4.06Å; A992-V1018 WeakPolarHBondContact CA-O 3.44Å; A992-V1018 HydrophobicContact CB-CB 4.33Å; I993-V1018 PolarHBondContact N-O 3.48Å; V1018-A1020 HydrophobicContact CG1-CB 4.34Å |
| 1019 | F | 95 | Very high | 87.9 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.3 | 173.9 | -62.9 | -88.8 | 0 | 0 | 0 | 107.5 | V724 M725 V726 T727 I993 W998 G1016 F1022 L1030 | V724-F1019 HydrophobicContact CG1-CD2 3.68Å; V724-F1019 HydrophobicContact CG1-CE2 3.69Å; M725-F1019 PolarHBondContact O-N 3.33Å; V726-F1019 WeakPolarHBondContact CA-O 3.49Å; V726-F1019 HydrophobicContact CG1-CB 4.44Å; V726-F1019 HydrophobicContact CG2-CD2 4.42Å; T727-F1019 PolarHBondContact N-O 3.31Å; I993-F1019 HydrophobicContact CB-CD1 4.13Å; I993-F1019 HydrophobicContact CB-CE1 4.33Å; I993-F1019 HydrophobicContact CD1-CE1 3.98Å; I993-F1019 HydrophobicContact CG1-CE1 4.37Å; I993-F1019 WeakPolarHBondContact O-CA 3.47Å; W998-F1019 HydrophobicContact CE3-CE1 4.4Å; W998-F1019 HydrophobicContact CZ3-CE1 4.3Å; G1016-F1019 WeakPolarHBondContact O-CE2 3.35Å; F1019-F1022 HydrophobicContact CB-CD1 4.34Å; F1019-F1022 HydrophobicContact CB-CD2 3.88Å; F1019-F1022 HydrophobicContact CB-CE1 4.21Å; F1019-F1022 HydrophobicContact CB-CE2 3.72Å; F1019-F1022 HydrophobicContact CB-CG 4.2Å; F1019-F1022 HydrophobicContact CB-CZ 3.91Å; F1019-F1022 HydrophobicContact CD1-CE1 4.21Å; F1019-F1022 AromaticContact CD1-CE2 3.92Å; F1019-F1022 HydrophobicContact CD1-CE2 3.92Å; F1019-F1022 AromaticContact CD1-CZ 3.54Å; F1019-F1022 HydrophobicContact CD1-CZ 3.54Å; F1019-F1022 HydrophobicContact CE1-CZ 4.48Å; F1019-F1022 HydrophobicContact CG-CE2 4.32Å; F1019-F1022 HydrophobicContact CG-CZ 4.13Å; F1019-L1030 HydrophobicContact CB-CD2 3.93Å; F1019-L1030 HydrophobicContact CD1-CD1 4.23Å; F1019-L1030 HydrophobicContact CD1-CD2 3.91Å; F1019-L1030 HydrophobicContact CD2-CD1 4.38Å; F1019-L1030 HydrophobicContact CD2-CD2 3.42Å; F1019-L1030 VanDerWaalsContact CD2-CD2 3.42Å; F1019-L1030 HydrophobicContact CE1-CD1 3.76Å; F1019-L1030 HydrophobicContact CE1-CD2 4.23Å; F1019-L1030 HydrophobicContact CE2-CD1 3.92Å; F1019-L1030 HydrophobicContact CE2-CD2 3.78Å; F1019-L1030 HydrophobicContact CE2-CG 4.47Å; F1019-L1030 HydrophobicContact CG-CD2 3.47Å; F1019-L1030 VanDerWaalsContact CG-CD2 3.47Å; F1019-L1030 HydrophobicContact CZ-CD1 3.6Å; F1019-L1030 HydrophobicContact CZ-CD2 4.17Å |
| 1020 | A | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 156.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T727 M731 A734 I993 S994 G995 V1018 F1022 | T727-A1020 HydrophobicContact CG2-CB 4.47Å; T727-A1020 CarbonylContact O-C 3.53Å; T727-A1020 WeakPolarHBondContact O-CA 3.47Å; M731-A1020 HydrophobicContact CB-CB 4.28Å; M731-A1020 HydrophobicContact CE-CB 3.84Å; M731-A1020 HydrophobicContact SD-CB 3.95Å; A734-A1020 HydrophobicContact CB-CB 4.04Å; I993-A1020 PolarHBondContact O-N 3.17Å; I993-A1020 VanDerWaalsContact O-N 3.12Å; S994-A1020 CarbonylContact C-O 3.58Å; S994-A1020 VanDerWaalsContact CA-O 3.32Å; S994-A1020 WeakPolarHBondContact CA-O 3.45Å; G995-A1020 PolarHBondContact N-O 2.93Å; V1018-A1020 HydrophobicContact CG1-CB 4.34Å; A1020-F1022 WeakPolarHBondContact O-CD2 3.4Å; A1020-F1022 PolarHBondContact O-N 2.75Å |
| 1021 | R | 83.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 27 Ų | 27 | 35% | 0.351 | 12% | 0.124 | S | C | . | . | S | Bend | trans | 53.5 | 31.6 | -166.7 | -57.4 | -62.7 | -155 | 176.9 | 8.2 | 113.4 | T727 G728 D729 | T727-R1021 PolarHBondContact O-N 3.12Å; G728-R1021 WeakPolarHBondContact O-CD 3.32Å; D729-R1021 WeakPolarHBondContact O-CD 3.41Å; D729-R1021 PolarHBondContact O-N 3.13Å |
| 1022 | F | 87 | Confident | 88.4 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | trans | -81.4 | 128.7 | 178.5 | -96.1 | -125.2 | 0 | 0 | 0 | 111.5 | V726 T727 W998 F1019 A1020 Q1026 K1027 L1030 | V726-F1022 HydrophobicContact CG1-CD1 4.33Å; T727-F1022 PolarHBondContact O-N 3.12Å; W998-F1022 HydrophobicContact CB-CE1 4.42Å; W998-F1022 HydrophobicContact CB-CE2 3.93Å; W998-F1022 HydrophobicContact CB-CZ 3.54Å; W998-F1022 AromaticContact CD1-CE1 3.87Å; W998-F1022 AromaticContact CD1-CZ 3.82Å; W998-F1022 HydrophobicContact CD2-CE1 4.15Å; W998-F1022 AromaticContact CD2-CZ 3.74Å; W998-F1022 HydrophobicContact CD2-CZ 3.74Å; W998-F1022 HydrophobicContact CE3-CZ 4.25Å; W998-F1022 AromaticContact CG-CE1 3.91Å; W998-F1022 HydrophobicContact CG-CE1 3.91Å; W998-F1022 HydrophobicContact CG-CE2 4.28Å; W998-F1022 AromaticContact CG-CZ 3.4Å; W998-F1022 HydrophobicContact CG-CZ 3.4Å; W998-F1022 VanDerWaalsContact CG-CZ 3.4Å; F1019-F1022 HydrophobicContact CB-CD1 4.34Å; F1019-F1022 HydrophobicContact CB-CD2 3.88Å; F1019-F1022 HydrophobicContact CB-CE1 4.21Å; F1019-F1022 HydrophobicContact CB-CE2 3.72Å; F1019-F1022 HydrophobicContact CB-CG 4.2Å; F1019-F1022 HydrophobicContact CB-CZ 3.91Å; F1019-F1022 HydrophobicContact CD1-CE1 4.21Å; F1019-F1022 AromaticContact CD1-CE2 3.92Å; F1019-F1022 HydrophobicContact CD1-CE2 3.92Å; F1019-F1022 AromaticContact CD1-CZ 3.54Å; F1019-F1022 HydrophobicContact CD1-CZ 3.54Å; F1019-F1022 HydrophobicContact CE1-CZ 4.48Å; F1019-F1022 HydrophobicContact CG-CE2 4.32Å; F1019-F1022 HydrophobicContact CG-CZ 4.13Å; A1020-F1022 WeakPolarHBondContact O-CD2 3.4Å; A1020-F1022 PolarHBondContact O-N 2.75Å; F1022-Q1026 HydrophobicContact CB-CB 4.43Å; F1022-Q1026 HydrophobicContact CD1-CB 3.54Å; F1022-Q1026 HydrophobicContact CE1-CB 3.98Å; F1022-Q1026 HydrophobicContact CG-CB 4.14Å; F1022-K1027 HydrophobicContact CB-CG 4.36Å; F1022-L1030 HydrophobicContact CE1-CB 4.16Å; F1022-L1030 HydrophobicContact CE1-CD2 4.19Å | ||
| 1023 | R | 77.8 | Confident | 88.4 | Confident | 140 Ų | 140 | 29.3 Ų | 29.3 | 53% | 0.528 | 14% | 0.137 | S | C | . | . | trans | -75.8 | 157.4 | 172.1 | -57.9 | -178.1 | -178.1 | 178.8 | 0.1 | 110.8 | E1025 Q1026 K1027 E1365 | R1023-E1025 VanDerWaalsContact C-N 3.28Å; R1023-E1025 WeakPolarHBondContact CB-OE2 3.07Å; R1023-E1025 PolarHBondContact O-N 3.43Å; R1023-Q1026 HydrophobicContact CB-CG 4.18Å; R1023-Q1026 WeakPolarHBondContact O-CA 3.44Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.37Å; R1023-Q1026 PolarHBondContact O-N 2.95Å; R1023-K1027 PolarHBondContact O-N 3.48Å; R1023-E1365 IonicContact CZ-OE1 2.68Å; R1023-E1365 IonicContact NH2-OE1 3.51Å; R1023-E1365 PolarHBondContact NH2-OE1 2.99Å | ||
| 1024 | P | 75.2 | Confident | 88.5 | Confident | 59 Ų | 59 | 29.3 Ų | 29.3 | 38% | 0.383 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -52.1 | -41.4 | -175.6 | -29.3 | 37.4 | 0 | 0 | 0 | 114.4 | Q1026 K1027 A1028 N1049 | P1024-Q1026 VanDerWaalsContact C-N 3.33Å; P1024-Q1026 PolarHBondContact O-N 3.46Å; P1024-K1027 WeakPolarHBondContact O-CB 3.45Å; P1024-K1027 PolarHBondContact O-N 3.06Å; P1024-A1028 PolarHBondContact O-N 3.38Å; P1024-N1049 WeakPolarHBondContact CB-O 3.37Å; P1024-N1049 HydrophobicContact CG-CB 4.26Å |
| 1025 | E | 77.7 | Confident | 88.5 | Confident | 112 Ų | 112 | 31.7 Ų | 31.7 | 52% | 0.523 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -66.9 | -36.7 | 177.7 | -49.4 | 77.2 | -172.4 | 0 | 0 | 111.1 | R1023 K1027 A1028 Q1029 | R1023-E1025 VanDerWaalsContact C-N 3.28Å; R1023-E1025 WeakPolarHBondContact CB-OE2 3.07Å; R1023-E1025 PolarHBondContact O-N 3.43Å; E1025-K1027 VanDerWaalsContact C-N 3.34Å; E1025-A1028 PolarHBondContact O-N 2.74Å; E1025-Q1029 WeakPolarHBondContact O-CG 3.09Å; E1025-Q1029 PolarHBondContact O-N 3.07Å; E1025-Q1029 PolarHBondContact O-NE2 3.28Å |
| 1026 | Q | 86.2 | Confident | 88.4 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 176.7 | -58.2 | -175.8 | -49.4 | 0 | 0 | 111.6 | G995 F1022 R1023 P1024 Q1029 L1030 | G995-Q1026 PolarHBondContact O-NE2 2.91Å; F1022-Q1026 HydrophobicContact CB-CB 4.43Å; F1022-Q1026 HydrophobicContact CD1-CB 3.54Å; F1022-Q1026 HydrophobicContact CE1-CB 3.98Å; F1022-Q1026 HydrophobicContact CG-CB 4.14Å; R1023-Q1026 HydrophobicContact CB-CG 4.18Å; R1023-Q1026 WeakPolarHBondContact O-CA 3.44Å; R1023-Q1026 WeakPolarHBondContact O-CB 3.37Å; R1023-Q1026 PolarHBondContact O-N 2.95Å; P1024-Q1026 VanDerWaalsContact C-N 3.33Å; P1024-Q1026 PolarHBondContact O-N 3.46Å; Q1026-Q1029 PolarHBondContact O-N 3.1Å; Q1026-L1030 WeakPolarHBondContact O-CB 3.35Å; Q1026-L1030 PolarHBondContact O-N 2.91Å |
| 1027 | K | 89.4 | Confident | 88.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 170.8 | -55.3 | -157.1 | -176.3 | -159.9 | 0 | 110.3 | D486 V726 F1022 R1023 P1024 E1025 Q1029 L1030 I1031 N1049 D1050 A1053 | D486-K1027 IonicContact OD1-NZ 3.26Å; D486-K1027 IonicContact OD2-NZ 3.48Å; D486-K1027 PolarHBondContact OD2-NZ 3.42Å; V726-K1027 HydrophobicContact CG1-CB 4.1Å; V726-K1027 HydrophobicContact CG1-CD 4.16Å; V726-K1027 HydrophobicContact CG1-CG 3.88Å; V726-K1027 PolarHBondContact O-NZ 3.23Å; F1022-K1027 HydrophobicContact CB-CG 4.36Å; R1023-K1027 PolarHBondContact O-N 3.48Å; P1024-K1027 WeakPolarHBondContact O-CB 3.45Å; P1024-K1027 PolarHBondContact O-N 3.06Å; E1025-K1027 VanDerWaalsContact C-N 3.34Å; K1027-Q1029 PolarHBondContact O-N 3.35Å; K1027-L1030 PolarHBondContact O-N 2.79Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.32Å; K1027-I1031 PolarHBondContact O-N 3.18Å; K1027-N1049 PolarHBondContact NZ-ND2 3.23Å; K1027-D1050 WeakPolarHBondContact CD-OD1 3.39Å; K1027-D1050 WeakPolarHBondContact CE-OD1 3.46Å; K1027-D1050 IonicContact NZ-OD1 3.97Å; K1027-D1050 PolarHBondContact NZ-OD1 3.09Å; K1027-D1050 IonicContact NZ-OD2 3.74Å; K1027-A1053 HydrophobicContact CB-CB 3.94Å |
| 1028 | A | 86 | Confident | 88 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1024 E1025 L1030 I1031 E1032 | P1024-A1028 PolarHBondContact O-N 3.38Å; E1025-A1028 PolarHBondContact O-N 2.74Å; A1028-L1030 VanDerWaalsContact C-N 3.28Å; A1028-L1030 PolarHBondContact O-N 2.96Å; A1028-I1031 WeakPolarHBondContact O-CB 3.18Å; A1028-I1031 PolarHBondContact O-N 3.2Å; A1028-I1031 VanDerWaalsContact O-N 3.09Å; A1028-E1032 PolarHBondContact O-N 2.85Å |
| 1029 | Q | 89.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 37 Ų | 37 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -36.3 | 177.5 | -69.4 | 161.6 | 30.1 | 0 | 0 | 113 | E1025 Q1026 K1027 E1032 S1033 | E1025-Q1029 WeakPolarHBondContact O-CG 3.09Å; E1025-Q1029 PolarHBondContact O-N 3.07Å; E1025-Q1029 PolarHBondContact O-NE2 3.28Å; Q1026-Q1029 PolarHBondContact O-N 3.1Å; K1027-Q1029 PolarHBondContact O-N 3.35Å; Q1029-E1032 PolarHBondContact O-N 2.91Å; Q1029-S1033 WeakPolarHBondContact O-CB 3.4Å; Q1029-S1033 PolarHBondContact O-N 3.33Å; Q1029-S1033 PolarHBondContact O-OG 3.34Å |
| 1030 | L | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | 174.8 | 175.3 | 61.6 | 0 | 0 | 0 | 111.7 | V726 W998 V1013 F1019 F1022 Q1026 K1027 A1028 S1033 L1034 | V726-L1030 HydrophobicContact CB-CD2 4.36Å; V726-L1030 HydrophobicContact CG1-CD2 3.82Å; V726-L1030 HydrophobicContact CG2-CD2 3.57Å; W998-L1030 HydrophobicContact CH2-CD1 4.03Å; W998-L1030 HydrophobicContact CZ2-CB 4.5Å; W998-L1030 HydrophobicContact CZ2-CD1 4.43Å; W998-L1030 HydrophobicContact CZ3-CD1 4.44Å; V1013-L1030 HydrophobicContact CG2-CD1 4.15Å; F1019-L1030 HydrophobicContact CB-CD2 3.93Å; F1019-L1030 HydrophobicContact CD1-CD1 4.23Å; F1019-L1030 HydrophobicContact CD1-CD2 3.91Å; F1019-L1030 HydrophobicContact CD2-CD1 4.38Å; F1019-L1030 HydrophobicContact CD2-CD2 3.42Å; F1019-L1030 VanDerWaalsContact CD2-CD2 3.42Å; F1019-L1030 HydrophobicContact CE1-CD1 3.76Å; F1019-L1030 HydrophobicContact CE1-CD2 4.23Å; F1019-L1030 HydrophobicContact CE2-CD1 3.92Å; F1019-L1030 HydrophobicContact CE2-CD2 3.78Å; F1019-L1030 HydrophobicContact CE2-CG 4.47Å; F1019-L1030 HydrophobicContact CG-CD2 3.47Å; F1019-L1030 VanDerWaalsContact CG-CD2 3.47Å; F1019-L1030 HydrophobicContact CZ-CD1 3.6Å; F1019-L1030 HydrophobicContact CZ-CD2 4.17Å; F1022-L1030 HydrophobicContact CE1-CB 4.16Å; F1022-L1030 HydrophobicContact CE1-CD2 4.19Å; Q1026-L1030 WeakPolarHBondContact O-CB 3.35Å; Q1026-L1030 PolarHBondContact O-N 2.91Å; K1027-L1030 PolarHBondContact O-N 2.79Å; A1028-L1030 VanDerWaalsContact C-N 3.28Å; A1028-L1030 PolarHBondContact O-N 2.96Å; L1030-S1033 PolarHBondContact O-N 2.87Å; L1030-L1034 HydrophobicContact CG-CD1 4.35Å; L1030-L1034 PolarHBondContact O-N 2.93Å |
| 1031 | I | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.7 | -59.9 | -62.1 | 0 | 0 | 0 | 110.6 | C484 K1027 A1028 S1033 L1034 Q1035 V1041 M1043 A1053 V1056 A1057 | C484-I1031 HydrophobicContact CB-CD1 3.91Å; K1027-I1031 WeakPolarHBondContact O-CG1 3.32Å; K1027-I1031 PolarHBondContact O-N 3.18Å; A1028-I1031 WeakPolarHBondContact O-CB 3.18Å; A1028-I1031 PolarHBondContact O-N 3.2Å; A1028-I1031 VanDerWaalsContact O-N 3.09Å; I1031-S1033 VanDerWaalsContact C-N 3.32Å; I1031-S1033 PolarHBondContact O-N 2.97Å; I1031-L1034 HydrophobicContact CD1-CD1 4.43Å; I1031-L1034 PolarHBondContact O-N 2.97Å; I1031-Q1035 VanDerWaalsContact O-CG 3.29Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.49Å; I1031-Q1035 PolarHBondContact O-N 3Å; I1031-Q1035 VanDerWaalsContact O-N 3.08Å; I1031-V1041 HydrophobicContact CD1-CG1 3.77Å; I1031-V1041 HydrophobicContact CG2-CG1 4.31Å; I1031-M1043 HydrophobicContact CD1-CB 4.32Å; I1031-M1043 HydrophobicContact CD1-SD 4.32Å; I1031-A1053 HydrophobicContact CG1-CB 3.98Å; I1031-V1056 HydrophobicContact CB-CG1 4.41Å; I1031-V1056 HydrophobicContact CG2-CG1 4.04Å; I1031-A1057 HydrophobicContact CG2-CB 4.17Å |
| 1032 | E | 89.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 34.7 Ų | 34.7 | 36% | 0.36 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 174.8 | -62.3 | -166.4 | 142.6 | 0 | 0 | 112.2 | K388 A1028 Q1029 Q1035 S1036 V1056 | K388-E1032 IonicContact NZ-OE1 2.76Å; K388-E1032 PolarHBondContact NZ-OE1 3.08Å; A1028-E1032 PolarHBondContact O-N 2.85Å; Q1029-E1032 PolarHBondContact O-N 2.91Å; E1032-Q1035 PolarHBondContact O-N 2.93Å; E1032-S1036 PolarHBondContact O-N 2.92Å; E1032-V1056 HydrophobicContact CG-CG1 3.42Å; E1032-V1056 VanDerWaalsContact CG-CG1 3.42Å |
| 1033 | S | 92.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.5 | -30.6 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | Q1029 L1030 I1031 S1036 | Q1029-S1033 WeakPolarHBondContact O-CB 3.4Å; Q1029-S1033 PolarHBondContact O-N 3.33Å; Q1029-S1033 PolarHBondContact O-OG 3.34Å; L1030-S1033 PolarHBondContact O-N 2.87Å; I1031-S1033 VanDerWaalsContact C-N 3.32Å; I1031-S1033 PolarHBondContact O-N 2.97Å; S1033-S1036 PolarHBondContact O-OG 3.48Å; S1033-S1036 VanDerWaalsContact O-OG 3.05Å |
| 1034 | L | 93.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 169.2 | -77.8 | 160.4 | 0 | 0 | 0 | 111.4 | V482 C484 V1013 L1030 I1031 V1037 Y1039 V1041 | V482-L1034 HydrophobicContact CG1-CD1 4.26Å; V482-L1034 HydrophobicContact CG1-CD2 4.22Å; V482-L1034 HydrophobicContact CG2-CD2 4.38Å; C484-L1034 VanDerWaalsContact SG-CD1 3.56Å; V1013-L1034 HydrophobicContact CG1-CB 4.24Å; V1013-L1034 HydrophobicContact CG1-CD2 3.4Å; V1013-L1034 HydrophobicContact CG1-CG 3.63Å; L1030-L1034 HydrophobicContact CG-CD1 4.35Å; L1030-L1034 PolarHBondContact O-N 2.93Å; I1031-L1034 HydrophobicContact CD1-CD1 4.43Å; I1031-L1034 PolarHBondContact O-N 2.97Å; L1034-V1037 VanDerWaalsContact O-CG2 3.29Å; L1034-V1037 WeakPolarHBondContact O-CG2 3.4Å; L1034-Y1039 HydrophobicContact CB-CD2 4.48Å; L1034-Y1039 HydrophobicContact CD2-CD2 3.73Å; L1034-Y1039 HydrophobicContact CD2-CE2 4.12Å; L1034-Y1039 WeakPolarHBondContact O-CB 3.36Å; L1034-Y1039 PolarHBondContact O-N 2.81Å; L1034-Y1039 VanDerWaalsContact O-N 3.16Å; L1034-V1041 HydrophobicContact CB-CG2 3.62Å; L1034-V1041 HydrophobicContact CD1-CG1 4.09Å; L1034-V1041 HydrophobicContact CD1-CG2 4.45Å |
| 1035 | Q | 90.4 | Very high | 90.1 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -71.5 | -36 | 179.9 | -67.9 | -178.7 | 28.8 | 0 | 0 | 112.8 | I1031 E1032 V1037 G1038 V1041 V1056 H1058 | I1031-Q1035 VanDerWaalsContact O-CG 3.29Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.49Å; I1031-Q1035 PolarHBondContact O-N 3Å; I1031-Q1035 VanDerWaalsContact O-N 3.08Å; E1032-Q1035 PolarHBondContact O-N 2.93Å; Q1035-V1037 VanDerWaalsContact C-N 3.31Å; Q1035-V1037 PolarHBondContact O-N 3.18Å; Q1035-G1038 WeakPolarHBondContact O-CA 3.17Å; Q1035-G1038 PolarHBondContact O-N 3.08Å; Q1035-V1041 HydrophobicContact CG-CG2 3.98Å; Q1035-V1056 PolarHBondContact NE2-O 3.12Å; Q1035-H1058 VanDerWaalsContact CD-CE1 3.42Å; Q1035-H1058 VanDerWaalsContact CD-ND1 3.27Å; Q1035-H1058 PolarHBondContact NE2-ND1 2.9Å; Q1035-H1058 PolarHBondContact OE1-CE1 3.15Å |
| 1036 | S | 87.3 | Confident | 90.3 | Very high | 92 Ų | 92 | 21.2 Ų | 21.2 | 64% | 0.643 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -64.8 | -32.4 | -179.8 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | E1032 S1033 G1038 | E1032-S1036 PolarHBondContact O-N 2.92Å; S1033-S1036 PolarHBondContact O-OG 3.48Å; S1033-S1036 VanDerWaalsContact O-OG 3.05Å; S1036-G1038 VanDerWaalsContact C-N 3.25Å; S1036-G1038 PolarHBondContact O-N 3.17Å |
| 1037 | V | 88.9 | Confident | 89.4 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 5.7 | 171.2 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | P1010 V1013 V1014 L1034 Q1035 Y1039 Y1332 I1335 | P1010-V1037 HydrophobicContact CB-CG1 3.85Å; V1013-V1037 HydrophobicContact CG1-CG2 4.3Å; V1014-V1037 HydrophobicContact CG2-CG2 4.38Å; L1034-V1037 VanDerWaalsContact O-CG2 3.29Å; L1034-V1037 WeakPolarHBondContact O-CG2 3.4Å; Q1035-V1037 VanDerWaalsContact C-N 3.31Å; Q1035-V1037 PolarHBondContact O-N 3.18Å; V1037-Y1039 HydrophobicContact CG2-CD2 3.54Å; V1037-Y1039 HydrophobicContact CG2-CE2 3.8Å; V1037-Y1332 WeakPolarHBondContact O-CD1 3.4Å; V1037-Y1332 PolarHBondContact O-N 3.39Å; V1037-I1335 HydrophobicContact CB-CD1 4.28Å; V1037-I1335 HydrophobicContact CG1-CD1 3.89Å |
| 1038 | G | 87.4 | Confident | 88.3 | Confident | 21 Ų | 21 | 21.7 Ų | 21.7 | 22% | 0.216 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 20.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q1035 S1036 Y1332 | Q1035-G1038 WeakPolarHBondContact O-CA 3.17Å; Q1035-G1038 PolarHBondContact O-N 3.08Å; S1036-G1038 VanDerWaalsContact C-N 3.25Å; S1036-G1038 PolarHBondContact O-N 3.17Å; G1038-Y1332 WeakPolarHBondContact O-CE1 3.28Å |
| 1039 | Y | 91 | Very high | 87.6 | Confident | 14 Ų | 14 | 23 Ų | 23 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | trans | -78.4 | 148.2 | 168.3 | -69.6 | -68.6 | 0 | 0 | 0 | 112.3 | V482 V1014 L1034 V1037 Y1332 | V482-Y1039 HydrophobicContact CG2-CD1 3.3Å; V482-Y1039 HydrophobicContact CG2-CD2 4.04Å; V482-Y1039 HydrophobicContact CG2-CE1 3.69Å; V482-Y1039 HydrophobicContact CG2-CE2 4.37Å; V482-Y1039 HydrophobicContact CG2-CG 3.49Å; V482-Y1039 VanDerWaalsContact CG2-CG 3.49Å; V1014-Y1039 HydrophobicContact CG2-CE2 4.04Å; L1034-Y1039 HydrophobicContact CB-CD2 4.48Å; L1034-Y1039 HydrophobicContact CD2-CD2 3.73Å; L1034-Y1039 HydrophobicContact CD2-CE2 4.12Å; L1034-Y1039 WeakPolarHBondContact O-CB 3.36Å; L1034-Y1039 PolarHBondContact O-N 2.81Å; L1034-Y1039 VanDerWaalsContact O-N 3.16Å; V1037-Y1039 HydrophobicContact CG2-CD2 3.54Å; V1037-Y1039 HydrophobicContact CG2-CE2 3.8Å; Y1039-Y1332 AromaticContact CD1-CD1 3.53Å; Y1039-Y1332 HydrophobicContact CD1-CD1 3.53Å; Y1039-Y1332 HydrophobicContact CD1-CD2 4.24Å; Y1039-Y1332 AromaticContact CD1-CE1 3.67Å; Y1039-Y1332 HydrophobicContact CD1-CE1 3.67Å; Y1039-Y1332 HydrophobicContact CD1-CE2 4.4Å; Y1039-Y1332 AromaticContact CD1-CG 3.87Å; Y1039-Y1332 HydrophobicContact CD1-CG 3.87Å; Y1039-Y1332 HydrophobicContact CD2-CD1 4.25Å; Y1039-Y1332 HydrophobicContact CD2-CG 4.34Å; Y1039-Y1332 AromaticContact CE1-CD1 3.6Å; Y1039-Y1332 HydrophobicContact CE1-CD1 3.6Å; Y1039-Y1332 AromaticContact CE1-CD2 3.45Å; Y1039-Y1332 HydrophobicContact CE1-CD2 3.45Å; Y1039-Y1332 VanDerWaalsContact CE1-CD2 3.45Å; Y1039-Y1332 AromaticContact CE1-CE1 3.87Å; Y1039-Y1332 HydrophobicContact CE1-CE1 3.87Å; Y1039-Y1332 AromaticContact CE1-CE2 3.79Å; Y1039-Y1332 HydrophobicContact CE1-CE2 3.79Å; Y1039-Y1332 AromaticContact CE1-CG 3.42Å; Y1039-Y1332 HydrophobicContact CE1-CG 3.42Å; Y1039-Y1332 VanDerWaalsContact CE1-CG 3.42Å; Y1039-Y1332 HydrophobicContact CE2-CD1 4.3Å; Y1039-Y1332 AromaticContact CE2-CG 3.94Å; Y1039-Y1332 HydrophobicContact CE2-CG 3.94Å; Y1039-Y1332 AromaticContact CG-CD1 3.89Å; Y1039-Y1332 HydrophobicContact CG-CD1 3.89Å; Y1039-Y1332 HydrophobicContact CG-CE1 4.34Å; Y1039-Y1332 HydrophobicContact CG-CG 4.32Å; Y1039-Y1332 VanDerWaalsContact CZ-CB 3.48Å; Y1039-Y1332 AromaticContact CZ-CD1 4Å; Y1039-Y1332 AromaticContact CZ-CD2 3.64Å; Y1039-Y1332 AromaticContact CZ-CG 3.45Å; Y1039-Y1332 VanDerWaalsContact CZ-CG 3.45Å | ||
| 1040 | F | 91 | Very high | 87.1 | Confident | 45 Ų | 45 | 21 Ų | 21 | 20% | 0.197 | 12% | 0.124 | C | C | . | . | trans | -99.6 | 114.6 | 165.6 | -72.5 | -86 | 0 | 0 | 0 | 107.8 | V476 V479 I480 N481 V482 H1058 M1162 | V476-F1040 HydrophobicContact CG1-CD1 4.21Å; V479-F1040 HydrophobicContact CG2-CB 4.44Å; V479-F1040 HydrophobicContact CG2-CD1 4.1Å; V479-F1040 HydrophobicContact CG2-CD2 4.3Å; V479-F1040 HydrophobicContact CG2-CG 3.98Å; I480-F1040 WeakPolarHBondContact CA-O 3.13Å; N481-F1040 PolarHBondContact N-O 2.88Å; N481-F1040 PolarHBondContact OD1-N 2.9Å; N481-F1040 PolarHBondContact OD1-O 2.79Å; V482-F1040 PolarHBondContact N-O 3.15Å; V482-F1040 VanDerWaalsContact N-O 3.16Å; F1040-H1058 AromaticContact CD1-CD2 3.56Å; F1040-H1058 AromaticContact CD1-NE2 3.69Å; F1040-H1058 AromaticContact CE1-CD2 3.8Å; F1040-H1058 AromaticContact CE1-NE2 3.61Å; F1040-M1162 HydrophobicContact CD1-CE 4.38Å; F1040-M1162 HydrophobicContact CE1-CE 3.49Å; F1040-M1162 VanDerWaalsContact CE1-CE 3.49Å; F1040-M1162 HydrophobicContact CE2-CE 4.03Å; F1040-M1162 HydrophobicContact CZ-CE 3.28Å | ||
| 1041 | V | 94.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.1 | -160.9 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | V482 I1031 L1034 Q1035 H1058 A1059 | V482-V1041 HydrophobicContact CG1-CG1 4.42Å; V482-V1041 WeakPolarHBondContact O-CA 3.45Å; I1031-V1041 HydrophobicContact CD1-CG1 3.77Å; I1031-V1041 HydrophobicContact CG2-CG1 4.31Å; L1034-V1041 HydrophobicContact CB-CG2 3.62Å; L1034-V1041 HydrophobicContact CD1-CG1 4.09Å; L1034-V1041 HydrophobicContact CD1-CG2 4.45Å; Q1035-V1041 HydrophobicContact CG-CG2 3.98Å; V1041-H1058 WeakPolarHBondContact O-CB 3.38Å; V1041-H1058 PolarHBondContact O-N 3.42Å; V1041-A1059 PolarHBondContact O-N 2.96Å |
| 1042 | S | 94.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 150 | 156.6 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | V482 A483 C484 A1059 | V482-S1042 PolarHBondContact O-N 3.08Å; A483-S1042 WeakPolarHBondContact CA-OG 3.2Å; A483-S1042 WeakPolarHBondContact CB-OG 3.49Å; C484-S1042 PolarHBondContact N-O 3.04Å; S1042-A1059 WeakPolarHBondContact CA-O 3.37Å; S1042-A1059 WeakPolarHBondContact CB-O 3.48Å |
| 1043 | M | 93.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.4 | 162.1 | -179.4 | 61.7 | -172.5 | 0 | 0 | 108.1 | C484 I1031 D1050 A1053 L1054 A1057 A1059 G1060 I1061 | C484-M1043 HydrophobicContact CB-SD 3.5Å; C484-M1043 VanDerWaalsContact CB-SD 3.5Å; C484-M1043 CarbonylContact O-C 3.59Å; C484-M1043 WeakPolarHBondContact O-CA 3.5Å; I1031-M1043 HydrophobicContact CD1-CB 4.32Å; I1031-M1043 HydrophobicContact CD1-SD 4.32Å; M1043-D1050 HydrophobicContact CE-CB 4.2Å; M1043-D1050 VanDerWaalsContact CE-CG 3.5Å; M1043-D1050 WeakPolarHBondContact CE-OD1 3.42Å; M1043-A1053 HydrophobicContact CE-CB 4.49Å; M1043-A1053 HydrophobicContact CG-CB 3.92Å; M1043-A1053 HydrophobicContact SD-CB 4.44Å; M1043-L1054 HydrophobicContact CB-CD2 4.09Å; M1043-L1054 HydrophobicContact CG-CD2 3.89Å; M1043-L1054 HydrophobicContact CG-CG 4.22Å; M1043-L1054 WeakPolarHBondContact O-CD2 3.35Å; M1043-A1057 HydrophobicContact CB-CB 3.73Å; M1043-A1059 PolarHBondContact N-O 2.96Å; M1043-A1059 VanDerWaalsContact N-O 3.1Å; M1043-G1060 CarbonylContact O-C 3.55Å; M1043-I1061 PolarHBondContact O-N 3.38Å |
| 1044 | C | 93.8 | Very high | 85 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129 | 174.2 | -167 | 0 | 0 | 0 | 0 | 108.5 | C484 F485 D486 T490 I1061 V1084 | C484-C1044 PolarHBondContact O-N 2.8Å; F485-C1044 WeakPolarHBondContact CA-O 3.41Å; F485-C1044 HydrophobicContact CD1-CB 3.64Å; F485-C1044 HydrophobicContact CE1-CB 3.9Å; D486-C1044 PolarHBondContact N-O 3.3Å; T490-C1044 HydrophobicContact CG2-CB 4.43Å; C1044-I1061 WeakPolarHBondContact CA-O 3.48Å; C1044-V1084 HydrophobicContact CB-CG2 4.17Å |
| 1045 | G | 88.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T490 D1050 I1061 A1062 L1063 | T490-G1045 VanDerWaalsContact OG1-CA 3.27Å; T490-G1045 WeakPolarHBondContact OG1-CA 3.34Å; G1045-D1050 WeakPolarHBondContact CA-OD2 3.48Å; G1045-I1061 PolarHBondContact N-O 2.96Å; G1045-I1061 VanDerWaalsContact N-O 3.17Å; G1045-A1062 CarbonylContact O-C 2.95Å; G1045-A1062 WeakPolarHBondContact O-CA 3.37Å; G1045-L1063 PolarHBondContact O-N 3.22Å |
| 1046 | D | 80 | Confident | 83.8 | Confident | 34 Ų | 34 | 20.2 Ų | 20.2 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -124.3 | -32.2 | -176.9 | 54.2 | -78.8 | 0 | 0 | 0 | 114 | G489 T490 L1063 S1064 | G489-D1046 WeakPolarHBondContact CA-OD1 3.4Å; G489-D1046 WeakPolarHBondContact CA-OD2 3.32Å; T490-D1046 WeakPolarHBondContact CB-OD1 3.29Å; T490-D1046 PolarHBondContact N-OD1 2.67Å; T490-D1046 PolarHBondContact OG1-N 3.36Å; T490-D1046 PolarHBondContact OG1-OD1 3.47Å; D1046-L1063 HydrophobicContact CB-CB 4.15Å; D1046-S1064 PolarHBondContact O-OG 2.66Å |
| 1047 | G | 68.2 | Low | 83.9 | Confident | 11 Ų | 11 | 16.1 Ų | 16.1 | 11% | 0.113 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -93.2 | 166.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1049 D1050 | G1047-N1049 VanDerWaalsContact C-OD1 3.23Å; G1047-N1049 WeakPolarHBondContact CA-OD1 3.2Å; G1047-N1049 PolarHBondContact O-N 2.87Å; G1047-N1049 PolarHBondContact O-OD1 2.9Å; G1047-D1050 PolarHBondContact O-N 3.47Å |
| 1048 | A | 65.6 | Low | 83.9 | Confident | 21 Ų | 21 | 17.4 Ų | 17.4 | 17% | 0.174 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -76.1 | -11.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L315 T316 D1050 C1051 A1068 | L315-A1048 VanDerWaalsContact O-CB 3.28Å; L315-A1048 WeakPolarHBondContact O-CB 3.47Å; T316-A1048 WeakPolarHBondContact O-CA 3.28Å; T316-A1048 WeakPolarHBondContact O-CB 3.43Å; T316-A1048 PolarHBondContact O-N 2.91Å; A1048-D1050 PolarHBondContact O-N 3.15Å; A1048-D1050 VanDerWaalsContact O-N 3.14Å; A1048-C1051 HydrophobicContact CB-CB 4.26Å; A1048-C1051 WeakPolarHBondContact O-CB 3.29Å; A1048-C1051 PolarHBondContact O-N 3.22Å; A1048-A1068 HydrophobicContact CB-CB 3.43Å; A1048-A1068 VanDerWaalsContact CB-CB 3.43Å |
| 1049 | N | 72.9 | Confident | 84.1 | Confident | 46 Ų | 46 | 16.4 Ų | 16.4 | 25% | 0.246 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -53.6 | -25.1 | 163.7 | 69 | -30.5 | 0 | 0 | 0 | 112.2 | D486 P1024 K1027 G1047 | D486-N1049 PolarHBondContact OD2-ND2 2.86Å; P1024-N1049 WeakPolarHBondContact CB-O 3.37Å; P1024-N1049 HydrophobicContact CG-CB 4.26Å; K1027-N1049 PolarHBondContact NZ-ND2 3.23Å; G1047-N1049 VanDerWaalsContact C-OD1 3.23Å; G1047-N1049 WeakPolarHBondContact CA-OD1 3.2Å; G1047-N1049 PolarHBondContact O-N 2.87Å; G1047-N1049 PolarHBondContact O-OD1 2.9Å |
| 1050 | D | 78.7 | Confident | 84 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -93.7 | -11.6 | 173.1 | -71 | -37.8 | 0 | 0 | 0 | 114.4 | D486 K1027 M1043 G1045 G1047 A1048 G1052 A1053 L1054 | D486-D1050 WeakPolarHBondContact CB-OD2 3.46Å; K1027-D1050 WeakPolarHBondContact CD-OD1 3.39Å; K1027-D1050 WeakPolarHBondContact CE-OD1 3.46Å; K1027-D1050 IonicContact NZ-OD1 3.97Å; K1027-D1050 PolarHBondContact NZ-OD1 3.09Å; K1027-D1050 IonicContact NZ-OD2 3.74Å; M1043-D1050 HydrophobicContact CE-CB 4.2Å; M1043-D1050 VanDerWaalsContact CE-CG 3.5Å; M1043-D1050 WeakPolarHBondContact CE-OD1 3.42Å; G1045-D1050 WeakPolarHBondContact CA-OD2 3.48Å; G1047-D1050 PolarHBondContact O-N 3.47Å; A1048-D1050 PolarHBondContact O-N 3.15Å; A1048-D1050 VanDerWaalsContact O-N 3.14Å; D1050-G1052 VanDerWaalsContact C-N 3.29Å; D1050-G1052 PolarHBondContact O-N 3.38Å; D1050-G1052 VanDerWaalsContact O-N 3.17Å; D1050-A1053 CarbonylContact O-C 3.57Å; D1050-A1053 WeakPolarHBondContact O-CA 3.39Å; D1050-A1053 WeakPolarHBondContact O-CB 3.42Å; D1050-A1053 PolarHBondContact O-N 3.42Å; D1050-L1054 HydrophobicContact CB-CD1 3.87Å; D1050-L1054 HydrophobicContact CB-CG 4.08Å; D1050-L1054 WeakPolarHBondContact O-CG 3.46Å; D1050-L1054 PolarHBondContact O-N 3.42Å |
| 1051 | C | 74.5 | Confident | 84.1 | Confident | 17 Ų | 17 | 13.8 Ų | 13.8 | 12% | 0.115 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -53 | -44.6 | -172.4 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | L380 A1048 A1053 L1054 K1055 A1068 | L380-C1051 VanDerWaalsContact CD1-SG 3.55Å; A1048-C1051 HydrophobicContact CB-CB 4.26Å; A1048-C1051 WeakPolarHBondContact O-CB 3.29Å; A1048-C1051 PolarHBondContact O-N 3.22Å; C1051-A1053 PolarHBondContact O-N 2.96Å; C1051-L1054 PolarHBondContact O-N 2.76Å; C1051-K1055 VanDerWaalsContact O-CB 3.27Å; C1051-K1055 WeakPolarHBondContact O-CB 3.46Å; C1051-K1055 PolarHBondContact O-N 3.16Å; C1051-A1068 PolarHBondContact SG-O 2.89Å |
| 1052 | G | 76.4 | Confident | 83.8 | Confident | 31 Ų | 31 | 13.8 Ų | 13.8 | 32% | 0.32 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -64 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1050 V1056 | D1050-G1052 VanDerWaalsContact C-N 3.29Å; D1050-G1052 PolarHBondContact O-N 3.38Å; D1050-G1052 VanDerWaalsContact O-N 3.17Å; G1052-V1056 WeakPolarHBondContact O-CB 3.12Å; G1052-V1056 WeakPolarHBondContact O-CG2 3.2Å; G1052-V1056 PolarHBondContact O-N 3.07Å |
| 1053 | A | 85.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -74.7 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1027 I1031 M1043 D1050 C1051 V1056 A1057 | K1027-A1053 HydrophobicContact CB-CB 3.94Å; I1031-A1053 HydrophobicContact CG1-CB 3.98Å; M1043-A1053 HydrophobicContact CE-CB 4.49Å; M1043-A1053 HydrophobicContact CG-CB 3.92Å; M1043-A1053 HydrophobicContact SD-CB 4.44Å; D1050-A1053 CarbonylContact O-C 3.57Å; D1050-A1053 WeakPolarHBondContact O-CA 3.39Å; D1050-A1053 WeakPolarHBondContact O-CB 3.42Å; D1050-A1053 PolarHBondContact O-N 3.42Å; C1051-A1053 PolarHBondContact O-N 2.96Å; A1053-V1056 PolarHBondContact O-N 3.03Å; A1053-A1057 VanDerWaalsContact O-CB 3.32Å; A1053-A1057 WeakPolarHBondContact O-CB 3.4Å; A1053-A1057 PolarHBondContact O-N 2.88Å |
| 1054 | L | 86.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.7 | -68 | 166.8 | 0 | 0 | 0 | 111.8 | M1043 D1050 C1051 V1056 G1060 I1061 A1062 | M1043-L1054 HydrophobicContact CB-CD2 4.09Å; M1043-L1054 HydrophobicContact CG-CD2 3.89Å; M1043-L1054 HydrophobicContact CG-CG 4.22Å; M1043-L1054 WeakPolarHBondContact O-CD2 3.35Å; D1050-L1054 HydrophobicContact CB-CD1 3.87Å; D1050-L1054 HydrophobicContact CB-CG 4.08Å; D1050-L1054 WeakPolarHBondContact O-CG 3.46Å; D1050-L1054 PolarHBondContact O-N 3.42Å; C1051-L1054 PolarHBondContact O-N 2.76Å; L1054-V1056 VanDerWaalsContact C-N 3.28Å; L1054-V1056 PolarHBondContact O-N 3.31Å; L1054-G1060 WeakPolarHBondContact O-CA 3.2Å; L1054-I1061 VanDerWaalsContact CD2-N 3.34Å; L1054-I1061 WeakPolarHBondContact CD2-O 3.3Å; L1054-A1062 HydrophobicContact CD1-CB 4.39Å |
| 1055 | K | 78.3 | Confident | 81.1 | Confident | 62 Ų | 62 | 21.6 Ų | 21.6 | 27% | 0.27 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -55.9 | -39.4 | 173.4 | 175.8 | -168.3 | 179.1 | 179.7 | 0 | 112.3 | D24 S383 C1051 | D24-K1055 IonicContact OD2-NZ 2.65Å; D24-K1055 PolarHBondContact OD2-NZ 2.96Å; S383-K1055 WeakPolarHBondContact OG-CD 3.36Å; S383-K1055 WeakPolarHBondContact OG-CE 3.48Å; S383-K1055 PolarHBondContact OG-NZ 2.98Å; C1051-K1055 VanDerWaalsContact O-CB 3.27Å; C1051-K1055 WeakPolarHBondContact O-CB 3.46Å; C1051-K1055 PolarHBondContact O-N 3.16Å |
| 1056 | V | 82.6 | Confident | 79.8 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 10% | 0.103 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -92.4 | -22.6 | -171.8 | 171.4 | 0 | 0 | 0 | 0 | 112.9 | I1031 E1032 Q1035 G1052 A1053 L1054 | I1031-V1056 HydrophobicContact CB-CG1 4.41Å; I1031-V1056 HydrophobicContact CG2-CG1 4.04Å; E1032-V1056 HydrophobicContact CG-CG1 3.42Å; E1032-V1056 VanDerWaalsContact CG-CG1 3.42Å; Q1035-V1056 PolarHBondContact NE2-O 3.12Å; G1052-V1056 WeakPolarHBondContact O-CB 3.12Å; G1052-V1056 WeakPolarHBondContact O-CG2 3.2Å; G1052-V1056 PolarHBondContact O-N 3.07Å; A1053-V1056 PolarHBondContact O-N 3.03Å; L1054-V1056 VanDerWaalsContact C-N 3.28Å; L1054-V1056 PolarHBondContact O-N 3.31Å |
| 1057 | A | 88.9 | Confident | 78.7 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -62.2 | 149.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1031 M1043 A1053 A1059 | I1031-A1057 HydrophobicContact CG2-CB 4.17Å; M1043-A1057 HydrophobicContact CB-CB 3.73Å; A1053-A1057 VanDerWaalsContact O-CB 3.32Å; A1053-A1057 WeakPolarHBondContact O-CB 3.4Å; A1053-A1057 PolarHBondContact O-N 2.88Å; A1057-A1059 PolarHBondContact O-N 2.84Å |
| 1058 | H | 88.9 | Confident | 78 | Confident | 33 Ų | 33 | 22.3 Ų | 22.3 | 15% | 0.153 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.6 | 172.1 | -80 | 83.4 | 0 | 0 | 0 | 112 | V473 V476 Q1035 F1040 V1041 | V473-H1058 WeakPolarHBondContact CG1-O 3.3Å; V476-H1058 HydrophobicContact CG1-CB 4Å; Q1035-H1058 VanDerWaalsContact CD-CE1 3.42Å; Q1035-H1058 VanDerWaalsContact CD-ND1 3.27Å; Q1035-H1058 PolarHBondContact NE2-ND1 2.9Å; Q1035-H1058 PolarHBondContact OE1-CE1 3.15Å; F1040-H1058 AromaticContact CD1-CD2 3.56Å; F1040-H1058 AromaticContact CD1-NE2 3.69Å; F1040-H1058 AromaticContact CE1-CD2 3.8Å; F1040-H1058 AromaticContact CE1-NE2 3.61Å; V1041-H1058 WeakPolarHBondContact O-CB 3.38Å; V1041-H1058 PolarHBondContact O-N 3.42Å |
| 1059 | A | 90.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 99.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V473 I480 V1041 S1042 M1043 A1057 F1074 | V473-A1059 HydrophobicContact CG1-CB 4.2Å; I480-A1059 HydrophobicContact CD1-CB 3.69Å; V1041-A1059 PolarHBondContact O-N 2.96Å; S1042-A1059 WeakPolarHBondContact CA-O 3.37Å; S1042-A1059 WeakPolarHBondContact CB-O 3.48Å; M1043-A1059 PolarHBondContact N-O 2.96Å; M1043-A1059 VanDerWaalsContact N-O 3.1Å; A1057-A1059 PolarHBondContact O-N 2.84Å; A1059-F1074 HydrophobicContact CB-CD2 4.3Å; A1059-F1074 HydrophobicContact CB-CE2 4.05Å |
| 1060 | G | 90.6 | Very high | 77.4 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 141.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1043 L1054 S1072 F1074 | M1043-G1060 CarbonylContact O-C 3.55Å; L1054-G1060 WeakPolarHBondContact O-CA 3.2Å; G1060-S1072 PolarHBondContact O-OG 2.96Å; G1060-F1074 WeakPolarHBondContact O-CD2 3.22Å; G1060-F1074 PolarHBondContact O-N 2.92Å |
| 1061 | I | 91.9 | Very high | 76.7 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 108.4 | 175.6 | -51.5 | 167.9 | 0 | 0 | 0 | 107.5 | M1043 C1044 G1045 L1054 S1072 F1074 V1084 L1087 | M1043-I1061 PolarHBondContact O-N 3.38Å; C1044-I1061 WeakPolarHBondContact CA-O 3.48Å; G1045-I1061 PolarHBondContact N-O 2.96Å; G1045-I1061 VanDerWaalsContact N-O 3.17Å; L1054-I1061 VanDerWaalsContact CD2-N 3.34Å; L1054-I1061 WeakPolarHBondContact CD2-O 3.3Å; I1061-S1072 PolarHBondContact N-OG 2.94Å; I1061-F1074 WeakPolarHBondContact CA-O 3.41Å; I1061-F1074 HydrophobicContact CG1-CB 4.43Å; I1061-V1084 HydrophobicContact CD1-CB 4.29Å; I1061-V1084 HydrophobicContact CD1-CG1 4.18Å; I1061-V1084 HydrophobicContact CD1-CG2 3.8Å; I1061-L1087 HydrophobicContact CD1-CD2 3.66Å; I1061-L1087 HydrophobicContact CG1-CD2 3.83Å |
| 1062 | A | 89.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | G1045 L1054 S1072 F1074 I1075 S1076 | G1045-A1062 CarbonylContact O-C 2.95Å; G1045-A1062 WeakPolarHBondContact O-CA 3.37Å; L1054-A1062 HydrophobicContact CD1-CB 4.39Å; A1062-S1072 PolarHBondContact N-OG 3.23Å; A1062-F1074 PolarHBondContact N-O 3.35Å; A1062-I1075 CarbonylContact O-C 3.48Å; A1062-S1076 PolarHBondContact O-N 3.31Å |
| 1063 | L | 87.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -100.4 | 0.7 | 177.5 | -59.9 | -177.7 | 0 | 0 | 0 | 113.7 | T490 G1045 D1046 Q1079 | T490-L1063 HydrophobicContact CG2-CD1 4.18Å; G1045-L1063 PolarHBondContact O-N 3.22Å; D1046-L1063 HydrophobicContact CB-CB 4.15Å; L1063-Q1079 WeakPolarHBondContact O-CG 3.46Å |
| 1064 | S | 74.1 | Confident | 77.3 | Confident | 29 Ų | 29 | 20.5 Ų | 20.5 | 20% | 0.203 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -124.7 | 160 | -178.5 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | D1046 S1069 I1075 | D1046-S1064 PolarHBondContact O-OG 2.66Å; S1064-S1069 WeakPolarHBondContact O-CB 3.41Å; S1064-S1069 PolarHBondContact O-OG 3.15Å; S1064-S1069 VanDerWaalsContact O-OG 3.1Å; S1064-I1075 WeakPolarHBondContact O-CG2 3.45Å |
| 1065 | E | 64.6 | Low | 77.3 | Confident | 133 Ų | 133 | 21.3 Ų | 21.3 | 62% | 0.621 | 12% | 0.117 | S | C | * | . | trans | -99.1 | 17.9 | 179.1 | -65.4 | -176.7 | 176.3 | 0 | 0 | 113.1 | K1077 | E1065-K1077 IonicContact OE1-NZ 3.89Å; E1065-K1077 PolarHBondContact OE1-NZ 2.88Å; E1065-K1077 IonicContact OE2-NZ 2.67Å | ||
| 1066 | A | 60.9 | Low | 77.8 | Confident | 22 Ų | 22 | 18.5 Ų | 18.5 | 18% | 0.182 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -68.6 | 161.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1068 S1069 | A1066-A1068 VanDerWaalsContact C-N 3.28Å; A1066-A1068 PolarHBondContact O-N 3.27Å; A1066-S1069 WeakPolarHBondContact O-CA 3.38Å; A1066-S1069 WeakPolarHBondContact O-CB 3.12Å; A1066-S1069 PolarHBondContact O-N 2.8Å; A1066-S1069 PolarHBondContact O-OG 3.24Å |
| 1067 | E | 57.2 | Low | 78 | Confident | 32 Ų | 32 | 24.5 Ų | 24.5 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -62 | -35.6 | -179.3 | -70.2 | -175.4 | 171.5 | 0 | 0 | 112.4 | T314 K377 S1069 V1070 | T314-E1067 HydrophobicContact CG2-CB 3.98Å; T314-E1067 HydrophobicContact CG2-CG 3.51Å; T314-E1067 WeakPolarHBondContact CG2-OE2 3.43Å; T314-E1067 WeakPolarHBondContact O-CB 3.15Å; T314-E1067 PolarHBondContact O-N 2.95Å; T314-E1067 VanDerWaalsContact O-N 3.14Å; K377-E1067 WeakPolarHBondContact CD-OE2 3.47Å; K377-E1067 WeakPolarHBondContact CE-OE2 3.34Å; K377-E1067 IonicContact NZ-OE1 3.3Å; K377-E1067 PolarHBondContact NZ-OE1 2.65Å; K377-E1067 IonicContact NZ-OE2 3.45Å; K377-E1067 PolarHBondContact NZ-OE2 3.46Å; E1067-S1069 PolarHBondContact O-N 3.24Å; E1067-V1070 VanDerWaalsContact O-CB 3.28Å; E1067-V1070 WeakPolarHBondContact O-CB 3.43Å; E1067-V1070 WeakPolarHBondContact O-CG2 3.37Å; E1067-V1070 PolarHBondContact O-N 3.04Å |
| 1068 | A | 53.6 | Low | 77.9 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 5% | 0.05 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -56.8 | -27.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | T314 A1048 C1051 A1066 V1070 | T314-A1068 PolarHBondContact O-N 2.65Å; A1048-A1068 HydrophobicContact CB-CB 3.43Å; A1048-A1068 VanDerWaalsContact CB-CB 3.43Å; C1051-A1068 PolarHBondContact SG-O 2.89Å; A1066-A1068 VanDerWaalsContact C-N 3.28Å; A1066-A1068 PolarHBondContact O-N 3.27Å; A1068-V1070 VanDerWaalsContact C-N 3.27Å; A1068-V1070 PolarHBondContact O-N 3.3Å |
| 1069 | S | 63.2 | Low | 77.7 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -70.8 | -21.3 | 175.9 | 80.6 | 0 | 0 | 0 | 0 | 113.1 | S1064 A1066 E1067 A1071 S1072 | S1064-S1069 WeakPolarHBondContact O-CB 3.41Å; S1064-S1069 PolarHBondContact O-OG 3.15Å; S1064-S1069 VanDerWaalsContact O-OG 3.1Å; A1066-S1069 WeakPolarHBondContact O-CA 3.38Å; A1066-S1069 WeakPolarHBondContact O-CB 3.12Å; A1066-S1069 PolarHBondContact O-N 2.8Å; A1066-S1069 PolarHBondContact O-OG 3.24Å; E1067-S1069 PolarHBondContact O-N 3.24Å; S1069-A1071 PolarHBondContact O-N 3.47Å; S1069-S1072 WeakPolarHBondContact O-CB 3.31Å; S1069-S1072 PolarHBondContact O-N 3.1Å |
| 1070 | V | 63 | Low | 77.6 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -69.3 | -18 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | M256 I384 E1067 A1068 S1072 | M256-V1070 HydrophobicContact CE-CB 4.5Å; M256-V1070 HydrophobicContact CE-CG1 3.96Å; I384-V1070 HydrophobicContact CD1-CB 4.08Å; I384-V1070 HydrophobicContact CD1-CG1 3.96Å; E1067-V1070 VanDerWaalsContact O-CB 3.28Å; E1067-V1070 WeakPolarHBondContact O-CB 3.43Å; E1067-V1070 WeakPolarHBondContact O-CG2 3.37Å; E1067-V1070 PolarHBondContact O-N 3.04Å; A1068-V1070 VanDerWaalsContact C-N 3.27Å; A1068-V1070 PolarHBondContact O-N 3.3Å; V1070-S1072 PolarHBondContact O-N 2.93Å |
| 1071 | A | 64.2 | Low | 77.7 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -70.3 | -13.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L380 I384 S1069 | L380-A1071 HydrophobicContact CD1-CB 3.94Å; I384-A1071 HydrophobicContact CG1-CB 4.24Å; S1069-A1071 PolarHBondContact O-N 3.47Å |
| 1072 | S | 77.3 | Confident | 77.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -84.9 | 134.2 | 176.8 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | G1060 I1061 A1062 S1069 V1070 F1074 | G1060-S1072 PolarHBondContact O-OG 2.96Å; I1061-S1072 PolarHBondContact N-OG 2.94Å; A1062-S1072 PolarHBondContact N-OG 3.23Å; S1069-S1072 WeakPolarHBondContact O-CB 3.31Å; S1069-S1072 PolarHBondContact O-N 3.1Å; V1070-S1072 PolarHBondContact O-N 2.93Å; S1072-F1074 WeakPolarHBondContact CB-O 3.48Å; S1072-F1074 PolarHBondContact O-N 3.17Å; S1072-F1074 PolarHBondContact OG-O 3.14Å |
| 1073 | P | 81.4 | Confident | 78 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -66.4 | -20.2 | 175.9 | 27.2 | -33.8 | 0 | 0 | 0 | 113.2 | C468 V469 N470 V473 | C468-P1073 WeakPolarHBondContact CA-O 3.16Å; V469-P1073 PolarHBondContact N-O 3.19Å; N470-P1073 HydrophobicContact CB-CB 4.41Å; V473-P1073 HydrophobicContact CB-CB 4.41Å; V473-P1073 HydrophobicContact CG1-CB 4.46Å; V473-P1073 HydrophobicContact CG1-CG 4.41Å; V473-P1073 HydrophobicContact CG2-CB 3.98Å |
| 1074 | F | 88.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.6 | 174 | -56.1 | -79.1 | 0 | 0 | 0 | 111.6 | L461 I466 F467 C468 V473 I474 C477 A1059 G1060 I1061 A1062 S1072 L1087 | L461-F1074 HydrophobicContact CD1-CE1 4.33Å; I466-F1074 HydrophobicContact CG2-CB 4.41Å; I466-F1074 HydrophobicContact CG2-CD1 4.35Å; F467-F1074 WeakPolarHBondContact O-CA 3.43Å; C468-F1074 HydrophobicContact CB-CD1 3.76Å; C468-F1074 HydrophobicContact CB-CE1 3.78Å; C468-F1074 WeakPolarHBondContact SG-CE1 3.29Å; V473-F1074 HydrophobicContact CB-CE2 3.94Å; V473-F1074 HydrophobicContact CB-CZ 3.95Å; V473-F1074 HydrophobicContact CG1-CE2 3.65Å; V473-F1074 HydrophobicContact CG1-CZ 4.13Å; I474-F1074 HydrophobicContact CG1-CE1 3.84Å; I474-F1074 HydrophobicContact CG1-CZ 3.95Å; C477-F1074 VanDerWaalsContact SG-CE2 3.5Å; A1059-F1074 HydrophobicContact CB-CD2 4.3Å; A1059-F1074 HydrophobicContact CB-CE2 4.05Å; G1060-F1074 WeakPolarHBondContact O-CD2 3.22Å; G1060-F1074 PolarHBondContact O-N 2.92Å; I1061-F1074 WeakPolarHBondContact CA-O 3.41Å; I1061-F1074 HydrophobicContact CG1-CB 4.43Å; A1062-F1074 PolarHBondContact N-O 3.35Å; S1072-F1074 WeakPolarHBondContact CB-O 3.48Å; S1072-F1074 PolarHBondContact O-N 3.17Å; S1072-F1074 PolarHBondContact OG-O 3.14Å; F1074-L1087 HydrophobicContact CB-CD2 4.49Å; F1074-L1087 HydrophobicContact CD1-CD1 3.87Å; F1074-L1087 HydrophobicContact CD1-CD2 4.29Å; F1074-L1087 HydrophobicContact CD2-CD1 4.46Å; F1074-L1087 HydrophobicContact CD2-CD2 3.63Å; F1074-L1087 HydrophobicContact CE1-CD1 3.59Å; F1074-L1087 HydrophobicContact CE1-CD2 4.48Å; F1074-L1087 HydrophobicContact CE2-CD1 4.23Å; F1074-L1087 HydrophobicContact CE2-CD2 3.87Å; F1074-L1087 HydrophobicContact CG-CD1 4.3Å; F1074-L1087 HydrophobicContact CG-CD2 3.87Å; F1074-L1087 HydrophobicContact CZ-CD1 3.81Å; F1074-L1087 HydrophobicContact CZ-CD2 4.3Å |
| 1075 | I | 88.3 | Confident | 79.4 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.9 | 175 | -56.7 | 171.7 | 0 | 0 | 0 | 107.1 | I466 F467 A1062 S1064 | I466-I1075 CarbonylContact C-O 3.59Å; F467-I1075 HydrophobicContact CB-CB 4.49Å; F467-I1075 PolarHBondContact N-O 2.85Å; F467-I1075 PolarHBondContact O-N 3.17Å; A1062-I1075 CarbonylContact O-C 3.48Å; S1064-I1075 WeakPolarHBondContact O-CG2 3.45Å |
| 1076 | S | 89.1 | Confident | 80.8 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.1 | 174.6 | -161.3 | 0 | 0 | 0 | 0 | 111.1 | A1062 Q1078 | A1062-S1076 PolarHBondContact O-N 3.31Å; S1076-Q1078 PolarHBondContact O-N 3.47Å |
| 1077 | K | 85.2 | Confident | 82.4 | Confident | 144 Ų | 144 | 27.2 Ų | 27.2 | 63% | 0.626 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -77.6 | -4.7 | 173.5 | -163.9 | 170.2 | -169.7 | 80.1 | 0 | 113 | G465 E1065 | G465-K1077 PolarHBondContact O-N 2.75Å; E1065-K1077 IonicContact OE1-NZ 3.89Å; E1065-K1077 PolarHBondContact OE1-NZ 2.88Å; E1065-K1077 IonicContact OE2-NZ 2.67Å |
| 1078 | Q | 86.6 | Confident | 84.2 | Confident | 98 Ų | 98 | 25.8 Ų | 25.8 | 46% | 0.458 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -107.4 | 121.5 | 174.1 | -66.4 | -175.6 | -13.6 | 0 | 0 | 108.6 | S1076 N1080 | S1076-Q1078 PolarHBondContact O-N 3.47Å; Q1078-N1080 PolarHBondContact O-N 2.91Å |
| 1079 | Q | 85 | Confident | 86.1 | Confident | 104 Ų | 104 | 28.1 Ų | 28.1 | 49% | 0.486 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -76 | 45.8 | 179.7 | -63.1 | -179.5 | -76.5 | 0 | 0 | 112.6 | D494 K706 L1063 | D494-Q1079 PolarHBondContact OD2-NE2 2.92Å; K706-Q1079 WeakPolarHBondContact CD-O 3.21Å; K706-Q1079 PolarHBondContact NZ-O 3.22Å; L1063-Q1079 WeakPolarHBondContact O-CG 3.46Å |
| 1080 | N | 88.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -140.4 | 158.1 | 175.8 | 74.1 | 29.1 | 0 | 0 | 0 | 111.3 | E708 Q1078 S1082 C1083 | E708-N1080 VanDerWaalsContact CD-ND2 3.29Å; E708-N1080 PolarHBondContact OE1-ND2 2.69Å; Q1078-N1080 PolarHBondContact O-N 2.91Å; N1080-S1082 PolarHBondContact O-N 2.79Å; N1080-S1082 VanDerWaalsContact O-N 3.13Å; N1080-S1082 WeakPolarHBondContact OD1-CB 3.22Å; N1080-S1082 PolarHBondContact OD1-N 3.06Å; N1080-S1082 VanDerWaalsContact OD1-N 3.11Å; N1080-S1082 PolarHBondContact OD1-OG 3.28Å; N1080-C1083 PolarHBondContact O-SG 3.34Å |
| 1081 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 6.7 | -176.4 | 61.9 | 161.1 | 0 | 0 | 0 | 114.5 | F485 T490 L491 T709 V712 I713 C1083 V1084 P1085 | F485-I1081 HydrophobicContact CD1-CB 4.42Å; F485-I1081 HydrophobicContact CD1-CD1 4.48Å; F485-I1081 HydrophobicContact CD1-CG2 3.75Å; F485-I1081 HydrophobicContact CE1-CB 3.91Å; F485-I1081 HydrophobicContact CE1-CD1 3.98Å; F485-I1081 HydrophobicContact CE1-CG2 3.73Å; F485-I1081 HydrophobicContact CZ-CD1 4.41Å; T490-I1081 HydrophobicContact CG2-CG2 3.78Å; T490-I1081 WeakPolarHBondContact O-CG2 3.42Å; L491-I1081 HydrophobicContact CD2-CD1 3.83Å; L491-I1081 HydrophobicContact CD2-CG2 4.5Å; T709-I1081 HydrophobicContact CG2-CD1 4.11Å; V712-I1081 HydrophobicContact CB-CD1 3.7Å; V712-I1081 HydrophobicContact CB-CG1 3.87Å; V712-I1081 HydrophobicContact CG1-CB 4.42Å; V712-I1081 HydrophobicContact CG1-CD1 3.56Å; V712-I1081 HydrophobicContact CG1-CG1 3.83Å; V712-I1081 HydrophobicContact CG2-CG1 4.17Å; I713-I1081 HydrophobicContact CD1-CD1 4.15Å; I713-I1081 HydrophobicContact CG1-CD1 4.32Å; I1081-C1083 PolarHBondContact O-N 2.97Å; I1081-V1084 HydrophobicContact CB-CG2 4.42Å; I1081-V1084 PolarHBondContact O-N 2.97Å; I1081-V1084 VanDerWaalsContact O-N 3.1Å; I1081-P1085 VanDerWaalsContact O-CD 3.32Å; I1081-P1085 WeakPolarHBondContact O-CD 3.37Å |
| 1082 | S | 93.3 | Very high | 90.3 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 24% | 0.238 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.7 | 178.9 | 81 | 0 | 0 | 0 | 0 | 113.2 | N1080 V1084 P1085 T1086 | N1080-S1082 PolarHBondContact O-N 2.79Å; N1080-S1082 VanDerWaalsContact O-N 3.13Å; N1080-S1082 WeakPolarHBondContact OD1-CB 3.22Å; N1080-S1082 PolarHBondContact OD1-N 3.06Å; N1080-S1082 VanDerWaalsContact OD1-N 3.11Å; N1080-S1082 PolarHBondContact OD1-OG 3.28Å; S1082-V1084 VanDerWaalsContact C-N 3.32Å; S1082-V1084 PolarHBondContact O-N 3.38Å; S1082-P1085 WeakPolarHBondContact O-CD 3.37Å; S1082-T1086 PolarHBondContact O-OG1 3Å |
| 1083 | C | 92.9 | Very high | 91 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -38.4 | 170.6 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | I466 N1080 I1081 T1086 L1087 | I466-C1083 HydrophobicContact CD1-CB 3.83Å; I466-C1083 HydrophobicContact CG1-CB 4.08Å; N1080-C1083 PolarHBondContact O-SG 3.34Å; I1081-C1083 PolarHBondContact O-N 2.97Å; C1083-T1086 PolarHBondContact O-N 2.94Å; C1083-L1087 WeakPolarHBondContact O-CB 3.44Å; C1083-L1087 PolarHBondContact O-N 3.32Å |
| 1084 | V | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -56.6 | -172.3 | -172 | 0 | 0 | 0 | 0 | 113.2 | F485 C1044 I1061 I1081 S1082 T1086 L1087 I1088 | F485-V1084 HydrophobicContact CE1-CG2 3.94Å; F485-V1084 HydrophobicContact CZ-CG1 4.41Å; F485-V1084 HydrophobicContact CZ-CG2 4.43Å; C1044-V1084 HydrophobicContact CB-CG2 4.17Å; I1061-V1084 HydrophobicContact CD1-CB 4.29Å; I1061-V1084 HydrophobicContact CD1-CG1 4.18Å; I1061-V1084 HydrophobicContact CD1-CG2 3.8Å; I1081-V1084 HydrophobicContact CB-CG2 4.42Å; I1081-V1084 PolarHBondContact O-N 2.97Å; I1081-V1084 VanDerWaalsContact O-N 3.1Å; S1082-V1084 VanDerWaalsContact C-N 3.32Å; S1082-V1084 PolarHBondContact O-N 3.38Å; V1084-T1086 PolarHBondContact O-N 3.33Å; V1084-L1087 PolarHBondContact O-N 3.49Å; V1084-I1088 HydrophobicContact CG1-CD1 4.02Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.24Å; V1084-I1088 PolarHBondContact O-N 3.2Å; V1084-I1088 VanDerWaalsContact O-N 3.07Å |
| 1085 | P | 95 | Very high | 91.3 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.7 | -25.8 | 177 | 28.1 | -36.6 | 0 | 0 | 0 | 112.1 | V712 T715 L716 I1081 S1082 R1089 L1155 | V712-P1085 HydrophobicContact CG1-CG 3.97Å; V712-P1085 HydrophobicContact CG2-CG 4.42Å; T715-P1085 HydrophobicContact CG2-CB 4.31Å; L716-P1085 HydrophobicContact CD2-CB 4.47Å; I1081-P1085 VanDerWaalsContact O-CD 3.32Å; I1081-P1085 WeakPolarHBondContact O-CD 3.37Å; S1082-P1085 WeakPolarHBondContact O-CD 3.37Å; P1085-R1089 WeakPolarHBondContact O-CB 3.36Å; P1085-R1089 PolarHBondContact O-N 2.97Å; P1085-L1155 HydrophobicContact CB-CD2 4.39Å |
| 1086 | T | 94.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 10% | 0.104 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73 | -42.4 | 176.6 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | H464 I466 S1082 C1083 V1084 R1089 E1090 | H464-T1086 HydrophobicContact CB-CG2 4.48Å; I466-T1086 HydrophobicContact CD1-CG2 4.19Å; S1082-T1086 PolarHBondContact O-OG1 3Å; C1083-T1086 PolarHBondContact O-N 2.94Å; V1084-T1086 PolarHBondContact O-N 3.33Å; T1086-R1089 PolarHBondContact O-N 3.39Å; T1086-R1089 PolarHBondContact OG1-NH1 3.19Å; T1086-E1090 PolarHBondContact O-N 2.88Å |
| 1087 | L | 94.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 174.4 | 179.5 | 63.3 | 0 | 0 | 0 | 111.7 | L461 C477 I1061 F1074 C1083 V1084 E1090 G1091 | L461-L1087 HydrophobicContact CD1-CD1 3.7Å; L461-L1087 HydrophobicContact CD2-CD1 3.84Å; L461-L1087 HydrophobicContact CG-CD1 4.46Å; C477-L1087 HydrophobicContact CB-CD1 4.46Å; C477-L1087 HydrophobicContact CB-CG 4.09Å; I1061-L1087 HydrophobicContact CD1-CD2 3.66Å; I1061-L1087 HydrophobicContact CG1-CD2 3.83Å; F1074-L1087 HydrophobicContact CB-CD2 4.49Å; F1074-L1087 HydrophobicContact CD1-CD1 3.87Å; F1074-L1087 HydrophobicContact CD1-CD2 4.29Å; F1074-L1087 HydrophobicContact CD2-CD1 4.46Å; F1074-L1087 HydrophobicContact CD2-CD2 3.63Å; F1074-L1087 HydrophobicContact CE1-CD1 3.59Å; F1074-L1087 HydrophobicContact CE1-CD2 4.48Å; F1074-L1087 HydrophobicContact CE2-CD1 4.23Å; F1074-L1087 HydrophobicContact CE2-CD2 3.87Å; F1074-L1087 HydrophobicContact CG-CD1 4.3Å; F1074-L1087 HydrophobicContact CG-CD2 3.87Å; F1074-L1087 HydrophobicContact CZ-CD1 3.81Å; F1074-L1087 HydrophobicContact CZ-CD2 4.3Å; C1083-L1087 WeakPolarHBondContact O-CB 3.44Å; C1083-L1087 PolarHBondContact O-N 3.32Å; V1084-L1087 PolarHBondContact O-N 3.49Å; L1087-E1090 PolarHBondContact O-N 3.22Å; L1087-G1091 PolarHBondContact O-N 2.79Å |
| 1088 | I | 95.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 177.9 | -61 | 170.6 | 0 | 0 | 0 | 110.5 | I480 L716 I721 V1084 G1091 R1092 L1155 | I480-I1088 HydrophobicContact CB-CD1 4.29Å; I480-I1088 HydrophobicContact CB-CG1 4.43Å; I480-I1088 HydrophobicContact CG2-CD1 4.06Å; L716-I1088 HydrophobicContact CD2-CD1 4.31Å; I721-I1088 HydrophobicContact CD1-CD1 3.85Å; I721-I1088 HydrophobicContact CD1-CG2 3.88Å; V1084-I1088 HydrophobicContact CG1-CD1 4.02Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.24Å; V1084-I1088 PolarHBondContact O-N 3.2Å; V1084-I1088 VanDerWaalsContact O-N 3.07Å; I1088-G1091 PolarHBondContact O-N 3.31Å; I1088-R1092 WeakPolarHBondContact O-CB 3.38Å; I1088-R1092 VanDerWaalsContact O-CG 3.31Å; I1088-R1092 WeakPolarHBondContact O-CG 2.75Å; I1088-R1092 PolarHBondContact O-N 3.4Å; I1088-L1155 HydrophobicContact CB-CD1 4.46Å; I1088-L1155 HydrophobicContact CG2-CD1 3.95Å |
| 1089 | R | 93.7 | Very high | 91.3 | Very high | 56 Ų | 56 | 14.7 Ų | 14.7 | 21% | 0.211 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 174.6 | -173.9 | -151.6 | -67.1 | 117 | 8.7 | 111.9 | P1085 T1086 R1092 C1093 A1151 Y1152 P1153 L1155 | P1085-R1089 WeakPolarHBondContact O-CB 3.36Å; P1085-R1089 PolarHBondContact O-N 2.97Å; T1086-R1089 PolarHBondContact O-N 3.39Å; T1086-R1089 PolarHBondContact OG1-NH1 3.19Å; R1089-R1092 PolarHBondContact O-N 2.86Å; R1089-C1093 PolarHBondContact O-N 2.93Å; R1089-C1093 VanDerWaalsContact O-N 3.1Å; R1089-A1151 HydrophobicContact CG-CB 3.91Å; R1089-Y1152 WeakPolarHBondContact CD-O 3.12Å; R1089-Y1152 WeakPolarHBondContact CG-O 3.15Å; R1089-P1153 PolarHBondContact NE-O 3.14Å; R1089-L1155 HydrophobicContact CB-CD1 4.35Å |
| 1090 | E | 93.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 9.9 Ų | 9.9 | 5% | 0.047 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 176.6 | -80.8 | -64.9 | 156.3 | 0 | 0 | 112.2 | R460 L461 T1086 L1087 R1092 C1093 A1094 A1151 | R460-E1090 IonicContact CZ-OE2 3.66Å; R460-E1090 VanDerWaalsContact NE-CD 3.28Å; R460-E1090 IonicContact NE-OE1 3.07Å; R460-E1090 PolarHBondContact NE-OE1 3.43Å; R460-E1090 IonicContact NE-OE2 2.63Å; R460-E1090 PolarHBondContact NE-OE2 3.41Å; R460-E1090 IonicContact NH2-OE2 2.73Å; R460-E1090 PolarHBondContact NH2-OE2 3Å; L461-E1090 HydrophobicContact CD2-CB 4.02Å; L461-E1090 HydrophobicContact CD2-CG 4.22Å; L461-E1090 HydrophobicContact CG-CB 4.36Å; T1086-E1090 PolarHBondContact O-N 2.88Å; L1087-E1090 PolarHBondContact O-N 3.22Å; E1090-R1092 VanDerWaalsContact C-N 3.35Å; E1090-R1092 PolarHBondContact O-N 3.06Å; E1090-C1093 CarbonylContact O-C 3.42Å; E1090-C1093 WeakPolarHBondContact O-CA 3.03Å; E1090-C1093 WeakPolarHBondContact O-CB 3.26Å; E1090-C1093 PolarHBondContact O-N 2.62Å; E1090-C1093 VanDerWaalsContact O-N 3.14Å; E1090-A1094 WeakPolarHBondContact O-CB 3.46Å; E1090-A1094 PolarHBondContact O-N 3.42Å; E1090-A1151 HydrophobicContact CG-CB 4.45Å; E1090-A1151 WeakPolarHBondContact OE1-CB 3.38Å |
| 1091 | G | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.8 | -37.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I474 G478 L1087 I1088 C1093 A1094 L1095 | I474-G1091 WeakPolarHBondContact O-CA 3.35Å; G478-G1091 VanDerWaalsContact CA-C 3.41Å; L1087-G1091 PolarHBondContact O-N 2.79Å; I1088-G1091 PolarHBondContact O-N 3.31Å; G1091-C1093 VanDerWaalsContact C-N 3.35Å; G1091-A1094 PolarHBondContact O-N 3.24Å; G1091-L1095 WeakPolarHBondContact O-CB 3.21Å; G1091-L1095 PolarHBondContact O-N 3Å |
| 1092 | R | 91.7 | Very high | 91 | Very high | 6 Ų | 6 | 9.3 Ų | 9.3 | 2% | 0.023 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.7 | -38.2 | 171.9 | -74.9 | -176 | -176.5 | 174.7 | 8.2 | 111.9 | G478 I1088 R1089 E1090 T1096 S1156 P1160 Y1238 | G478-R1092 WeakPolarHBondContact O-CG 3.26Å; G478-R1092 PolarHBondContact O-NE 3.48Å; I1088-R1092 WeakPolarHBondContact O-CB 3.38Å; I1088-R1092 VanDerWaalsContact O-CG 3.31Å; I1088-R1092 WeakPolarHBondContact O-CG 2.75Å; I1088-R1092 PolarHBondContact O-N 3.4Å; R1089-R1092 PolarHBondContact O-N 2.86Å; E1090-R1092 VanDerWaalsContact C-N 3.35Å; E1090-R1092 PolarHBondContact O-N 3.06Å; R1092-T1096 VanDerWaalsContact O-CB 3.26Å; R1092-T1096 WeakPolarHBondContact O-CB 3.43Å; R1092-T1096 PolarHBondContact O-N 3.01Å; R1092-T1096 VanDerWaalsContact O-N 3.11Å; R1092-T1096 PolarHBondContact O-OG1 3.06Å; R1092-S1156 PolarHBondContact NH1-O 2.61Å; R1092-S1156 PolarHBondContact NH1-OG 3.26Å; R1092-P1160 HydrophobicContact CB-CG 4.35Å; R1092-P1160 HydrophobicContact CG-CG 4.06Å; R1092-Y1238 HydrophobicContact CB-CD1 4.1Å |
| 1093 | C | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -66.1 | -46.8 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | R1089 E1090 G1091 T1096 T1097 A1151 | R1089-C1093 PolarHBondContact O-N 2.93Å; R1089-C1093 VanDerWaalsContact O-N 3.1Å; E1090-C1093 CarbonylContact O-C 3.42Å; E1090-C1093 WeakPolarHBondContact O-CA 3.03Å; E1090-C1093 WeakPolarHBondContact O-CB 3.26Å; E1090-C1093 PolarHBondContact O-N 2.62Å; E1090-C1093 VanDerWaalsContact O-N 3.14Å; G1091-C1093 VanDerWaalsContact C-N 3.35Å; C1093-T1096 PolarHBondContact O-N 2.9Å; C1093-T1097 VanDerWaalsContact O-CB 3.3Å; C1093-T1097 WeakPolarHBondContact O-CB 3.41Å; C1093-T1097 PolarHBondContact O-N 2.95Å; C1093-T1097 PolarHBondContact O-OG1 3.11Å; C1093-A1151 HydrophobicContact CB-CB 3.49Å; C1093-A1151 VanDerWaalsContact CB-CB 3.49Å |
| 1094 | A | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -59.6 | -53.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | A457 I474 N475 E1090 G1091 T1096 T1097 S1098 | A457-A1094 HydrophobicContact CB-CB 3.97Å; I474-A1094 HydrophobicContact CG2-CB 3.9Å; N475-A1094 WeakPolarHBondContact OD1-CB 3.42Å; E1090-A1094 WeakPolarHBondContact O-CB 3.46Å; E1090-A1094 PolarHBondContact O-N 3.42Å; G1091-A1094 PolarHBondContact O-N 3.24Å; A1094-T1096 PolarHBondContact O-N 3.43Å; A1094-T1097 CarbonylContact O-C 3.52Å; A1094-T1097 WeakPolarHBondContact O-CA 3.42Å; A1094-T1097 WeakPolarHBondContact O-CB 3.36Å; A1094-T1097 PolarHBondContact O-N 3.27Å; A1094-S1098 PolarHBondContact O-N 3.16Å; A1094-S1098 PolarHBondContact O-OG 3.33Å |
| 1095 | L | 87.6 | Confident | 90.3 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | -180 | -165.9 | 73.6 | 0 | 0 | 0 | 111.7 | F392 N475 V479 G1091 T1097 S1098 F1099 P1160 M1162 | F392-L1095 HydrophobicContact CE2-CD1 4.26Å; F392-L1095 HydrophobicContact CZ-CD1 3.82Å; N475-L1095 HydrophobicContact CB-CD1 3.93Å; N475-L1095 PolarHBondContact OD1-N 3.04Å; V479-L1095 HydrophobicContact CG1-CD2 3.88Å; G1091-L1095 WeakPolarHBondContact O-CB 3.21Å; G1091-L1095 PolarHBondContact O-N 3Å; L1095-T1097 VanDerWaalsContact C-N 3.25Å; L1095-T1097 PolarHBondContact O-N 2.79Å; L1095-S1098 PolarHBondContact O-N 2.85Å; L1095-F1099 HydrophobicContact CD1-CD2 4.15Å; L1095-F1099 HydrophobicContact CD1-CE2 3.89Å; L1095-F1099 HydrophobicContact CG-CD2 4Å; L1095-F1099 HydrophobicContact CG-CE2 4Å; L1095-F1099 WeakPolarHBondContact O-CB 3.04Å; L1095-F1099 VanDerWaalsContact O-CD2 3.31Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.32Å; L1095-F1099 PolarHBondContact O-N 3.34Å; L1095-P1160 HydrophobicContact CB-CG 4.48Å; L1095-P1160 HydrophobicContact CD2-CB 4.24Å; L1095-P1160 HydrophobicContact CD2-CG 3.92Å; L1095-M1162 HydrophobicContact CD2-CG 4.4Å |
| 1096 | T | 88.1 | Confident | 89.9 | Confident | 12 Ų | 12 | 7.8 Ų | 7.8 | 7% | 0.074 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63 | -33.9 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | R1092 C1093 A1094 G1100 K1234 Y1238 R1239 | R1092-T1096 VanDerWaalsContact O-CB 3.26Å; R1092-T1096 WeakPolarHBondContact O-CB 3.43Å; R1092-T1096 PolarHBondContact O-N 3.01Å; R1092-T1096 VanDerWaalsContact O-N 3.11Å; R1092-T1096 PolarHBondContact O-OG1 3.06Å; C1093-T1096 PolarHBondContact O-N 2.9Å; A1094-T1096 PolarHBondContact O-N 3.43Å; T1096-G1100 PolarHBondContact O-N 3.39Å; T1096-K1234 HydrophobicContact CG2-CB 4.32Å; T1096-Y1238 HydrophobicContact CG2-CD2 4.17Å; T1096-Y1238 WeakPolarHBondContact OG1-CB 3.29Å; T1096-R1239 HydrophobicContact CG2-CG 4.23Å |
| 1097 | T | 89.4 | Confident | 89.7 | Confident | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.018 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -69.6 | -50.5 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111 | C1093 A1094 L1095 F1099 G1100 A1101 F1146 R1239 | C1093-T1097 VanDerWaalsContact O-CB 3.3Å; C1093-T1097 WeakPolarHBondContact O-CB 3.41Å; C1093-T1097 PolarHBondContact O-N 2.95Å; C1093-T1097 PolarHBondContact O-OG1 3.11Å; A1094-T1097 CarbonylContact O-C 3.52Å; A1094-T1097 WeakPolarHBondContact O-CA 3.42Å; A1094-T1097 WeakPolarHBondContact O-CB 3.36Å; A1094-T1097 PolarHBondContact O-N 3.27Å; L1095-T1097 VanDerWaalsContact C-N 3.25Å; L1095-T1097 PolarHBondContact O-N 2.79Å; T1097-F1099 VanDerWaalsContact C-N 3.32Å; T1097-F1099 PolarHBondContact O-N 2.82Å; T1097-G1100 PolarHBondContact O-N 2.93Å; T1097-A1101 WeakPolarHBondContact O-CB 3.48Å; T1097-A1101 PolarHBondContact O-N 2.94Å; T1097-F1146 HydrophobicContact CG2-CD1 4.25Å; T1097-F1146 HydrophobicContact CG2-CE1 4.33Å; T1097-R1239 PolarHBondContact OG1-NE 2.89Å; T1097-R1239 PolarHBondContact OG1-NH2 3.12Å |
| 1098 | S | 86 | Confident | 89.6 | Confident | 2 Ų | 2 | 6.9 Ų | 6.9 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.8 | -38.5 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | A1094 L1095 F1102 | A1094-S1098 PolarHBondContact O-N 3.16Å; A1094-S1098 PolarHBondContact O-OG 3.33Å; L1095-S1098 PolarHBondContact O-N 2.85Å; S1098-F1102 VanDerWaalsContact O-CB 3.26Å; S1098-F1102 WeakPolarHBondContact O-CB 3.43Å; S1098-F1102 PolarHBondContact O-N 3.07Å |
| 1099 | F | 85 | Confident | 89.3 | Confident | 27 Ų | 27 | 6.8 Ų | 6.8 | 12% | 0.118 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 174 | -92.5 | -108.2 | 0 | 0 | 0 | 113.2 | F394 L1095 T1097 F1102 K1103 G1161 R1163 L1164 | F394-F1099 HydrophobicContact CD2-CD2 4.16Å; F394-F1099 AromaticContact CD2-CE2 3.53Å; F394-F1099 HydrophobicContact CD2-CE2 3.53Å; F394-F1099 HydrophobicContact CD2-CZ 4.12Å; F394-F1099 AromaticContact CE2-CD2 3.75Å; F394-F1099 HydrophobicContact CE2-CD2 3.75Å; F394-F1099 AromaticContact CE2-CE2 3.61Å; F394-F1099 HydrophobicContact CE2-CE2 3.61Å; F394-F1099 HydrophobicContact CE2-CZ 4.33Å; L1095-F1099 HydrophobicContact CD1-CD2 4.15Å; L1095-F1099 HydrophobicContact CD1-CE2 3.89Å; L1095-F1099 HydrophobicContact CG-CD2 4Å; L1095-F1099 HydrophobicContact CG-CE2 4Å; L1095-F1099 WeakPolarHBondContact O-CB 3.04Å; L1095-F1099 VanDerWaalsContact O-CD2 3.31Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.32Å; L1095-F1099 PolarHBondContact O-N 3.34Å; T1097-F1099 VanDerWaalsContact C-N 3.32Å; T1097-F1099 PolarHBondContact O-N 2.82Å; F1099-F1102 PolarHBondContact O-N 2.84Å; F1099-K1103 PolarHBondContact O-N 3.35Å; F1099-G1161 WeakPolarHBondContact CE1-O 3.5Å; F1099-G1161 WeakPolarHBondContact CZ-O 3.47Å; F1099-R1163 WeakPolarHBondContact CE1-O 3.18Å; F1099-L1164 HydrophobicContact CD1-CD1 4.04Å; F1099-L1164 HydrophobicContact CD2-CD1 4.45Å; F1099-L1164 HydrophobicContact CE1-CD1 3.78Å; F1099-L1164 HydrophobicContact CE2-CD1 4.21Å; F1099-L1164 HydrophobicContact CG-CD1 4.37Å; F1099-L1164 HydrophobicContact CZ-CD1 3.86Å |
| 1100 | G | 87.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 4.1 Ų | 4.1 | 4% | 0.041 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1096 T1097 K1103 F1104 | T1096-G1100 PolarHBondContact O-N 3.39Å; T1097-G1100 PolarHBondContact O-N 2.93Å; G1100-K1103 WeakPolarHBondContact O-CB 3.36Å; G1100-K1103 PolarHBondContact O-N 2.71Å; G1100-F1104 PolarHBondContact O-N 3.08Å |
| 1101 | A | 87.3 | Confident | 89 | Confident | 2 Ų | 2 | 3.7 Ų | 3.7 | 2% | 0.017 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -68.9 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V449 T1097 F1104 M1105 F1146 | V449-A1101 HydrophobicContact CG1-CB 3.88Å; T1097-A1101 WeakPolarHBondContact O-CB 3.48Å; T1097-A1101 PolarHBondContact O-N 2.94Å; A1101-F1104 PolarHBondContact O-N 3.36Å; A1101-M1105 WeakPolarHBondContact O-CB 3.49Å; A1101-M1105 VanDerWaalsContact O-CG 3.31Å; A1101-M1105 WeakPolarHBondContact O-CG 3.26Å; A1101-M1105 PolarHBondContact O-N 2.98Å; A1101-F1146 HydrophobicContact CB-CD1 4.05Å; A1101-F1146 HydrophobicContact CB-CE1 3.98Å |
| 1102 | F | 85.4 | Confident | 89 | Confident | 4 Ų | 4 | 3.9 Ų | 3.9 | 2% | 0.018 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 171.8 | -176.1 | -87.7 | 0 | 0 | 0 | 111.7 | F401 L446 M450 S1098 F1099 F1104 M1105 V1106 L1164 | F401-F1102 HydrophobicContact CB-CZ 4.15Å; F401-F1102 AromaticContact CD1-CE1 3.72Å; F401-F1102 HydrophobicContact CD1-CE1 3.72Å; F401-F1102 AromaticContact CD1-CZ 3.55Å; F401-F1102 HydrophobicContact CD1-CZ 3.55Å; F401-F1102 HydrophobicContact CD2-CE1 4.17Å; F401-F1102 AromaticContact CE1-CE1 3.95Å; F401-F1102 HydrophobicContact CE1-CE1 3.95Å; F401-F1102 HydrophobicContact CE1-CZ 4.14Å; F401-F1102 HydrophobicContact CE2-CE1 4.36Å; F401-F1102 AromaticContact CG-CE1 3.86Å; F401-F1102 HydrophobicContact CG-CE1 3.86Å; F401-F1102 AromaticContact CG-CZ 3.81Å; F401-F1102 HydrophobicContact CG-CZ 3.81Å; F401-F1102 HydrophobicContact CZ-CE1 4.27Å; L446-F1102 HydrophobicContact CD1-CD2 3.9Å; L446-F1102 HydrophobicContact CD1-CE2 4.22Å; L446-F1102 HydrophobicContact CD2-CE2 4.39Å; M450-F1102 HydrophobicContact SD-CD2 3.92Å; S1098-F1102 VanDerWaalsContact O-CB 3.26Å; S1098-F1102 WeakPolarHBondContact O-CB 3.43Å; S1098-F1102 PolarHBondContact O-N 3.07Å; F1099-F1102 PolarHBondContact O-N 2.84Å; F1102-F1104 VanDerWaalsContact C-N 3.3Å; F1102-F1104 PolarHBondContact O-N 3.11Å; F1102-M1105 PolarHBondContact O-N 3.02Å; F1102-V1106 HydrophobicContact CD1-CG2 4.12Å; F1102-V1106 HydrophobicContact CE1-CG2 3.57Å; F1102-V1106 HydrophobicContact CE2-CG2 4.21Å; F1102-V1106 HydrophobicContact CZ-CG2 3.62Å; F1102-V1106 PolarHBondContact O-N 2.8Å; F1102-L1164 HydrophobicContact CD1-CD1 4.07Å; F1102-L1164 HydrophobicContact CD1-CD2 3.76Å; F1102-L1164 HydrophobicContact CD1-CG 3.88Å; F1102-L1164 HydrophobicContact CD2-CD2 3.99Å; F1102-L1164 HydrophobicContact CE1-CD2 3.45Å; F1102-L1164 VanDerWaalsContact CE1-CD2 3.45Å; F1102-L1164 HydrophobicContact CE1-CG 3.87Å; F1102-L1164 HydrophobicContact CE2-CD2 3.71Å; F1102-L1164 HydrophobicContact CG-CD1 4.19Å; F1102-L1164 HydrophobicContact CG-CD2 4.03Å; F1102-L1164 HydrophobicContact CG-CG 4.38Å; F1102-L1164 HydrophobicContact CZ-CD2 3.43Å; F1102-L1164 VanDerWaalsContact CZ-CD2 3.43Å; F1102-L1164 HydrophobicContact CZ-CG 4.36Å |
| 1103 | K | 87.3 | Confident | 88.9 | Confident | 10 Ų | 10 | 3.8 Ų | 3.8 | 4% | 0.043 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -56.3 | -44.6 | 173.1 | -77.9 | -166.4 | -177.6 | -164.7 | 0 | 111.8 | F1099 G1100 G1107 T1169 S1172 F1232 E1303 | F1099-K1103 PolarHBondContact O-N 3.35Å; G1100-K1103 WeakPolarHBondContact O-CB 3.36Å; G1100-K1103 PolarHBondContact O-N 2.71Å; K1103-G1107 WeakPolarHBondContact O-CA 3.39Å; K1103-G1107 PolarHBondContact O-N 2.71Å; K1103-T1169 HydrophobicContact CG-CG2 4.26Å; K1103-S1172 VanDerWaalsContact NZ-CB 3.34Å; K1103-S1172 PolarHBondContact NZ-OG 3.41Å; K1103-F1232 HydrophobicContact CB-CB 4.31Å; K1103-F1232 HydrophobicContact CB-CD1 4.19Å; K1103-F1232 HydrophobicContact CB-CD2 3.61Å; K1103-F1232 HydrophobicContact CB-CE1 4.42Å; K1103-F1232 HydrophobicContact CB-CE2 3.84Å; K1103-F1232 HydrophobicContact CB-CG 3.79Å; K1103-F1232 HydrophobicContact CB-CZ 4.24Å; K1103-F1232 HydrophobicContact CD-CD1 3.54Å; K1103-F1232 HydrophobicContact CD-CD2 4.45Å; K1103-F1232 HydrophobicContact CD-CE1 3.72Å; K1103-F1232 HydrophobicContact CD-CG 3.94Å; K1103-F1232 HydrophobicContact CD-CZ 4.25Å; K1103-F1232 WeakPolarHBondContact O-CE2 3.47Å; K1103-E1303 IonicContact NZ-OE1 3.79Å; K1103-E1303 PolarHBondContact NZ-OE1 2.76Å; K1103-E1303 IonicContact NZ-OE2 3.17Å |
| 1104 | F | 90.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 178 | 169.8 | -115.1 | 0 | 0 | 0 | 112.1 | G1100 A1101 F1102 G1107 Y1108 I1139 L1142 Y1225 L1228 A1229 F1232 | G1100-F1104 PolarHBondContact O-N 3.08Å; A1101-F1104 PolarHBondContact O-N 3.36Å; F1102-F1104 VanDerWaalsContact C-N 3.3Å; F1102-F1104 PolarHBondContact O-N 3.11Å; F1104-G1107 PolarHBondContact O-N 2.84Å; F1104-G1107 VanDerWaalsContact O-N 3.17Å; F1104-Y1108 PolarHBondContact O-N 2.87Å; F1104-I1139 HydrophobicContact CE1-CG2 4.23Å; F1104-I1139 HydrophobicContact CE2-CD1 4.18Å; F1104-I1139 HydrophobicContact CZ-CD1 3.76Å; F1104-I1139 HydrophobicContact CZ-CG2 4.31Å; F1104-L1142 HydrophobicContact CE1-CB 4.4Å; F1104-L1142 HydrophobicContact CZ-CB 4.05Å; F1104-Y1225 WeakPolarHBondContact CE2-O 3.46Å; F1104-L1228 HydrophobicContact CD2-CB 4.11Å; F1104-A1229 HydrophobicContact CD2-CB 4.07Å; F1104-A1229 HydrophobicContact CE2-CB 3.76Å; F1104-A1229 HydrophobicContact CZ-CB 4.29Å; F1104-F1232 HydrophobicContact CB-CD2 4.33Å |
| 1105 | M | 88.8 | Confident | 89 | Confident | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | -179.6 | -75.8 | -69.9 | 160.6 | 0 | 0 | 112.8 | P443 A445 L446 V449 A1101 F1102 G1107 Y1108 S1109 I1139 | P443-M1105 HydrophobicContact CB-CB 4.49Å; P443-M1105 HydrophobicContact CB-SD 4.36Å; P443-M1105 HydrophobicContact CG-CB 4.14Å; A445-M1105 HydrophobicContact CB-CE 3.76Å; A445-M1105 HydrophobicContact CB-SD 3.93Å; L446-M1105 HydrophobicContact CD1-CB 3.53Å; L446-M1105 HydrophobicContact CD1-CG 4Å; V449-M1105 HydrophobicContact CB-CE 3.82Å; V449-M1105 HydrophobicContact CG1-CE 3.88Å; V449-M1105 HydrophobicContact CG2-CE 3.68Å; A1101-M1105 WeakPolarHBondContact O-CB 3.49Å; A1101-M1105 VanDerWaalsContact O-CG 3.31Å; A1101-M1105 WeakPolarHBondContact O-CG 3.26Å; A1101-M1105 PolarHBondContact O-N 2.98Å; F1102-M1105 PolarHBondContact O-N 3.02Å; M1105-G1107 VanDerWaalsContact C-N 3.33Å; M1105-Y1108 WeakPolarHBondContact O-CD1 3.27Å; M1105-Y1108 VanDerWaalsContact O-CE1 3.3Å; M1105-Y1108 WeakPolarHBondContact O-CE1 3.43Å; M1105-Y1108 HydrophobicContact SD-CD1 4.25Å; M1105-Y1108 HydrophobicContact SD-CE1 3.65Å; M1105-S1109 PolarHBondContact O-N 3.23Å; M1105-I1139 HydrophobicContact CE-CG2 3.88Å; M1105-I1139 HydrophobicContact SD-CG2 4.2Å |
| 1106 | V | 86.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 6.9 Ų | 6.9 | 2% | 0.018 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | F401 L405 F1102 Y1108 S1109 M1110 L1173 | F401-V1106 HydrophobicContact CD1-CG2 4.22Å; F401-V1106 HydrophobicContact CE1-CB 4.25Å; F401-V1106 HydrophobicContact CE1-CG1 3.61Å; F401-V1106 HydrophobicContact CE1-CG2 3.74Å; F401-V1106 HydrophobicContact CZ-CG1 4.04Å; L405-V1106 HydrophobicContact CD1-CG1 3.96Å; L405-V1106 HydrophobicContact CD1-CG2 4.15Å; L405-V1106 HydrophobicContact CD2-CG1 3.8Å; L405-V1106 HydrophobicContact CG-CG1 4.47Å; F1102-V1106 HydrophobicContact CD1-CG2 4.12Å; F1102-V1106 HydrophobicContact CE1-CG2 3.57Å; F1102-V1106 HydrophobicContact CE2-CG2 4.21Å; F1102-V1106 HydrophobicContact CZ-CG2 3.62Å; F1102-V1106 PolarHBondContact O-N 2.8Å; V1106-Y1108 PolarHBondContact O-N 3.28Å; V1106-S1109 PolarHBondContact O-N 3.16Å; V1106-S1109 PolarHBondContact O-OG 3.02Å; V1106-M1110 HydrophobicContact CG1-CG 4.33Å; V1106-M1110 WeakPolarHBondContact O-CB 3.19Å; V1106-M1110 PolarHBondContact O-N 3.41Å; V1106-L1173 HydrophobicContact CB-CD2 4.37Å; V1106-L1173 HydrophobicContact CG1-CD2 3.64Å |
| 1107 | G | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.1 | -43.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1103 F1104 M1105 I1111 L1177 L1228 | K1103-G1107 WeakPolarHBondContact O-CA 3.39Å; K1103-G1107 PolarHBondContact O-N 2.71Å; F1104-G1107 PolarHBondContact O-N 2.84Å; F1104-G1107 VanDerWaalsContact O-N 3.17Å; M1105-G1107 VanDerWaalsContact C-N 3.33Å; G1107-I1111 VanDerWaalsContact O-CG1 3.29Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.28Å; G1107-I1111 PolarHBondContact O-N 3.44Å; G1107-L1177 WeakPolarHBondContact O-CD2 3.39Å; G1107-L1228 WeakPolarHBondContact O-CD1 3.38Å |
| 1108 | Y | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 8.7 Ų | 8.7 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -71.3 | -44.4 | 176.6 | 97.3 | -91.6 | 0 | 0 | 0 | 112 | P443 P444 F1104 M1105 V1106 M1110 I1111 Q1112 D1135 I1139 | P443-Y1108 HydrophobicContact CB-CE1 3.46Å; P443-Y1108 VanDerWaalsContact CB-CE1 3.46Å; P443-Y1108 WeakPolarHBondContact CB-OH 3.18Å; P444-Y1108 WeakPolarHBondContact CD-OH 3.26Å; F1104-Y1108 PolarHBondContact O-N 2.87Å; M1105-Y1108 WeakPolarHBondContact O-CD1 3.27Å; M1105-Y1108 VanDerWaalsContact O-CE1 3.3Å; M1105-Y1108 WeakPolarHBondContact O-CE1 3.43Å; M1105-Y1108 HydrophobicContact SD-CD1 4.25Å; M1105-Y1108 HydrophobicContact SD-CE1 3.65Å; V1106-Y1108 PolarHBondContact O-N 3.28Å; Y1108-M1110 PolarHBondContact O-N 3Å; Y1108-I1111 PolarHBondContact O-N 2.99Å; Y1108-Q1112 WeakPolarHBondContact O-CB 3.33Å; Y1108-Q1112 PolarHBondContact O-N 2.94Å; Y1108-D1135 WeakPolarHBondContact CE2-OD1 3.45Å; Y1108-D1135 PolarHBondContact OH-OD2 3.49Å; Y1108-I1139 HydrophobicContact CD1-CD1 4.05Å; Y1108-I1139 HydrophobicContact CD1-CG1 4.33Å; Y1108-I1139 HydrophobicContact CD1-CG2 3.82Å; Y1108-I1139 HydrophobicContact CD2-CD1 3.77Å; Y1108-I1139 HydrophobicContact CD2-CG1 3.7Å; Y1108-I1139 HydrophobicContact CD2-CG2 4.48Å; Y1108-I1139 HydrophobicContact CE1-CG2 3.57Å; Y1108-I1139 HydrophobicContact CE2-CD1 4.43Å; Y1108-I1139 HydrophobicContact CE2-CG1 3.9Å; Y1108-I1139 HydrophobicContact CE2-CG2 4.23Å; Y1108-I1139 HydrophobicContact CG-CD1 3.53Å; Y1108-I1139 HydrophobicContact CG-CG1 3.92Å; Y1108-I1139 HydrophobicContact CG-CG2 4.28Å |
| 1109 | S | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | -177.4 | 78 | 0 | 0 | 0 | 0 | 112.2 | V440 V441 M1105 V1106 F1113 | V440-S1109 WeakPolarHBondContact O-CB 3.08Å; V441-S1109 PolarHBondContact O-OG 3.46Å; V441-S1109 VanDerWaalsContact O-OG 3.04Å; M1105-S1109 PolarHBondContact O-N 3.23Å; V1106-S1109 PolarHBondContact O-N 3.16Å; V1106-S1109 PolarHBondContact O-OG 3.02Å; S1109-F1113 VanDerWaalsContact O-CB 3.25Å; S1109-F1113 WeakPolarHBondContact O-CB 3.18Å; S1109-F1113 PolarHBondContact O-N 3.49Å |
| 1110 | M | 88.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -72.8 | -35.9 | 173.1 | -79.3 | -75.5 | 128.2 | 0 | 0 | 113.6 | L405 L408 V441 V1106 Y1108 F1113 F1114 L1177 | L405-M1110 HydrophobicContact CB-CE 4.36Å; L405-M1110 HydrophobicContact CD2-CE 3.91Å; L405-M1110 HydrophobicContact CD2-CG 4.02Å; L405-M1110 HydrophobicContact CD2-SD 4.2Å; L408-M1110 HydrophobicContact CD2-CE 4.45Å; L408-M1110 HydrophobicContact CD2-SD 3.63Å; L408-M1110 HydrophobicContact CG-SD 4.48Å; V441-M1110 HydrophobicContact CB-CE 4.2Å; V441-M1110 HydrophobicContact CG1-CE 3.64Å; V441-M1110 HydrophobicContact CG2-CE 3.75Å; V1106-M1110 HydrophobicContact CG1-CG 4.33Å; V1106-M1110 WeakPolarHBondContact O-CB 3.19Å; V1106-M1110 PolarHBondContact O-N 3.41Å; Y1108-M1110 PolarHBondContact O-N 3Å; M1110-F1113 HydrophobicContact CE-CD1 4.28Å; M1110-F1113 HydrophobicContact CE-CG 4.39Å; M1110-F1113 PolarHBondContact O-N 2.83Å; M1110-F1113 HydrophobicContact SD-CD1 4.2Å; M1110-F1114 WeakPolarHBondContact O-CD2 3.15Å; M1110-F1114 PolarHBondContact O-N 3.35Å; M1110-L1177 HydrophobicContact CB-CD1 3.66Å; M1110-L1177 HydrophobicContact CB-CD2 3.52Å; M1110-L1177 HydrophobicContact CB-CG 4.24Å; M1110-L1177 HydrophobicContact CG-CD1 3.94Å |
| 1111 | I | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 173.3 | -72.7 | 176.7 | 0 | 0 | 0 | 111.1 | G1107 Y1108 F1114 S1115 L1177 C1180 Q1184 Q1224 Y1225 L1228 | G1107-I1111 VanDerWaalsContact O-CG1 3.29Å; G1107-I1111 WeakPolarHBondContact O-CG1 3.28Å; G1107-I1111 PolarHBondContact O-N 3.44Å; Y1108-I1111 PolarHBondContact O-N 2.99Å; I1111-F1114 PolarHBondContact O-N 3.09Å; I1111-S1115 PolarHBondContact O-N 3.48Å; I1111-S1115 PolarHBondContact O-OG 3.24Å; I1111-L1177 HydrophobicContact CD1-CD2 4.49Å; I1111-L1177 HydrophobicContact CG1-CD2 3.84Å; I1111-C1180 HydrophobicContact CD1-CB 3.51Å; I1111-C1180 HydrophobicContact CG1-CB 3.85Å; I1111-Q1184 VanDerWaalsContact CG2-NE2 3.33Å; I1111-Q1184 PolarHBondContact O-NE2 3.42Å; I1111-Q1184 VanDerWaalsContact O-NE2 3.12Å; I1111-Q1224 HydrophobicContact CD1-CB 4.13Å; I1111-Q1224 HydrophobicContact CG2-CB 4.31Å; I1111-Y1225 HydrophobicContact CB-CD1 4.46Å; I1111-Y1225 HydrophobicContact CB-CE1 3.87Å; I1111-Y1225 HydrophobicContact CG2-CD1 4.14Å; I1111-Y1225 HydrophobicContact CG2-CE1 3.5Å; I1111-Y1225 VanDerWaalsContact CG2-CE1 3.5Å; I1111-L1228 HydrophobicContact CD1-CD1 3.54Å; I1111-L1228 HydrophobicContact CD1-CD2 4.49Å; I1111-L1228 HydrophobicContact CD1-CG 4.04Å |
| 1112 | Q | 92.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 10.9 Ų | 10.9 | 2% | 0.023 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.1 | -171.9 | 175.6 | -6.7 | 0 | 0 | 111.1 | V440 Y1108 F1114 S1115 V1116 Y1131 | V440-Q1112 HydrophobicContact CG1-CB 4.12Å; V440-Q1112 HydrophobicContact CG1-CG 3.75Å; Y1108-Q1112 WeakPolarHBondContact O-CB 3.33Å; Y1108-Q1112 PolarHBondContact O-N 2.94Å; Q1112-F1114 VanDerWaalsContact C-N 3.34Å; Q1112-F1114 PolarHBondContact O-N 3.32Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.45Å; Q1112-S1115 PolarHBondContact O-N 2.86Å; Q1112-S1115 VanDerWaalsContact O-N 3.11Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.5Å; Q1112-V1116 PolarHBondContact O-N 2.75Å; Q1112-Y1131 HydrophobicContact CG-CE1 4.18Å |
| 1113 | F | 90.5 | Very high | 88 | Confident | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.013 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.4 | -43.2 | 171.9 | 172.8 | -98.4 | 0 | 0 | 0 | 112.4 | A409 L437 V440 V441 S1109 M1110 V1116 I1117 | A409-F1113 HydrophobicContact CB-CE2 4.37Å; L437-F1113 HydrophobicContact CD1-CD2 3.53Å; L437-F1113 HydrophobicContact CD1-CE2 3.75Å; L437-F1113 HydrophobicContact CD1-CG 4.45Å; L437-F1113 HydrophobicContact CD2-CE2 4.19Å; L437-F1113 HydrophobicContact CG-CD2 3.97Å; L437-F1113 HydrophobicContact CG-CE2 3.75Å; V440-F1113 HydrophobicContact CG1-CB 4.22Å; V441-F1113 HydrophobicContact CG2-CB 4.4Å; V441-F1113 HydrophobicContact CG2-CD2 3.35Å; V441-F1113 HydrophobicContact CG2-CE2 3.68Å; V441-F1113 HydrophobicContact CG2-CG 4.01Å; S1109-F1113 VanDerWaalsContact O-CB 3.25Å; S1109-F1113 WeakPolarHBondContact O-CB 3.18Å; S1109-F1113 PolarHBondContact O-N 3.49Å; M1110-F1113 HydrophobicContact CE-CD1 4.28Å; M1110-F1113 HydrophobicContact CE-CG 4.39Å; M1110-F1113 PolarHBondContact O-N 2.83Å; M1110-F1113 HydrophobicContact SD-CD1 4.2Å; F1113-V1116 PolarHBondContact O-N 3.23Å; F1113-I1117 HydrophobicContact CD1-CD1 3.91Å; F1113-I1117 HydrophobicContact CD2-CD1 4.35Å; F1113-I1117 HydrophobicContact CE1-CD1 3.49Å; F1113-I1117 VanDerWaalsContact CE1-CD1 3.49Å; F1113-I1117 HydrophobicContact CE2-CD1 3.98Å; F1113-I1117 HydrophobicContact CG-CD1 4.33Å; F1113-I1117 HydrophobicContact CZ-CD1 3.55Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; F1113-I1117 PolarHBondContact O-N 2.95Å |
| 1114 | F | 90.7 | Very high | 87.8 | Confident | 67 Ų | 67 | 11.5 Ų | 11.5 | 29% | 0.294 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 172.9 | -79.1 | -61.3 | 0 | 0 | 0 | 112.9 | M1110 I1111 Q1112 I1117 L1118 | M1110-F1114 WeakPolarHBondContact O-CD2 3.15Å; M1110-F1114 PolarHBondContact O-N 3.35Å; I1111-F1114 PolarHBondContact O-N 3.09Å; Q1112-F1114 VanDerWaalsContact C-N 3.34Å; Q1112-F1114 PolarHBondContact O-N 3.32Å; F1114-I1117 PolarHBondContact O-N 3.1Å; F1114-L1118 VanDerWaalsContact O-CG 3.31Å; F1114-L1118 WeakPolarHBondContact O-CG 3.27Å; F1114-L1118 PolarHBondContact O-N 3.22Å |
| 1115 | S | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.5 | -47 | 172.8 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | I1111 Q1112 L1118 L1119 Q1184 S1221 | I1111-S1115 PolarHBondContact O-N 3.48Å; I1111-S1115 PolarHBondContact O-OG 3.24Å; Q1112-S1115 WeakPolarHBondContact O-CB 3.45Å; Q1112-S1115 PolarHBondContact O-N 2.86Å; Q1112-S1115 VanDerWaalsContact O-N 3.11Å; S1115-L1118 PolarHBondContact O-N 3.32Å; S1115-L1119 WeakPolarHBondContact O-CG 3.39Å; S1115-L1119 PolarHBondContact O-N 3.48Å; S1115-Q1184 PolarHBondContact OG-NE2 3.07Å; S1115-S1221 PolarHBondContact OG-OG 2.94Å |
| 1116 | V | 89.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | -178.9 | 176.3 | 0 | 0 | 0 | 0 | 111 | L437 Q1112 F1113 L1118 L1119 Y1120 I1126 Y1131 | L437-V1116 HydrophobicContact CD1-CB 4.22Å; L437-V1116 HydrophobicContact CD1-CG1 3.88Å; Q1112-V1116 WeakPolarHBondContact O-CG2 3.5Å; Q1112-V1116 PolarHBondContact O-N 2.75Å; F1113-V1116 PolarHBondContact O-N 3.23Å; V1116-L1118 VanDerWaalsContact C-N 3.33Å; V1116-L1118 PolarHBondContact O-N 2.77Å; V1116-L1119 PolarHBondContact O-N 3.21Å; V1116-Y1120 HydrophobicContact CG1-CD1 4.06Å; V1116-Y1120 HydrophobicContact CG1-CD2 3.93Å; V1116-Y1120 HydrophobicContact CG1-CE1 3.73Å; V1116-Y1120 HydrophobicContact CG1-CE2 3.6Å; V1116-Y1120 HydrophobicContact CG1-CG 4.17Å; V1116-Y1120 VanDerWaalsContact CG1-CZ 3.48Å; V1116-Y1120 WeakPolarHBondContact O-CB 3.21Å; V1116-Y1120 PolarHBondContact O-N 3.4Å; V1116-I1126 HydrophobicContact CG2-CD1 4.47Å; V1116-Y1131 WeakPolarHBondContact CG2-OH 3.35Å |
| 1117 | I | 88.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 11.8 Ų | 11.8 | 14% | 0.144 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 175.7 | -69.1 | 172.6 | 0 | 0 | 0 | 111.7 | L437 F1113 F1114 S1121 | L437-I1117 HydrophobicContact CD1-CD1 4.42Å; L437-I1117 HydrophobicContact CD1-CG1 3.89Å; L437-I1117 HydrophobicContact CD2-CG1 4.21Å; F1113-I1117 HydrophobicContact CD1-CD1 3.91Å; F1113-I1117 HydrophobicContact CD2-CD1 4.35Å; F1113-I1117 HydrophobicContact CE1-CD1 3.49Å; F1113-I1117 VanDerWaalsContact CE1-CD1 3.49Å; F1113-I1117 HydrophobicContact CE2-CD1 3.98Å; F1113-I1117 HydrophobicContact CG-CD1 4.33Å; F1113-I1117 HydrophobicContact CZ-CD1 3.55Å; F1113-I1117 WeakPolarHBondContact O-CG1 3.2Å; F1113-I1117 PolarHBondContact O-N 2.95Å; F1114-I1117 PolarHBondContact O-N 3.1Å; I1117-S1121 PolarHBondContact O-N 2.81Å; I1117-S1121 VanDerWaalsContact O-N 3.16Å |
| 1118 | L | 89 | Confident | 87.4 | Confident | 25 Ų | 25 | 12.7 Ų | 12.7 | 13% | 0.131 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.5 | -73 | 170.6 | 0 | 0 | 0 | 112 | F1114 S1115 V1116 S1121 Q1184 F1185 | F1114-L1118 VanDerWaalsContact O-CG 3.31Å; F1114-L1118 WeakPolarHBondContact O-CG 3.27Å; F1114-L1118 PolarHBondContact O-N 3.22Å; S1115-L1118 PolarHBondContact O-N 3.32Å; V1116-L1118 VanDerWaalsContact C-N 3.33Å; V1116-L1118 PolarHBondContact O-N 2.77Å; L1118-S1121 WeakPolarHBondContact O-CB 3.44Å; L1118-S1121 PolarHBondContact O-N 3.21Å; L1118-S1121 PolarHBondContact O-OG 2.63Å; L1118-Q1184 HydrophobicContact CD1-CB 3.82Å; L1118-F1185 HydrophobicContact CD2-CD2 3.86Å |
| 1119 | L | 87.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -78 | -34.9 | 179.6 | -62.4 | 175.2 | 0 | 0 | 0 | 112.7 | S1115 V1116 S1121 I1122 G1123 S1124 I1126 E1213 | S1115-L1119 WeakPolarHBondContact O-CG 3.39Å; S1115-L1119 PolarHBondContact O-N 3.48Å; V1116-L1119 PolarHBondContact O-N 3.21Å; L1119-S1121 PolarHBondContact O-N 3.18Å; L1119-I1122 HydrophobicContact CD2-CD1 4.39Å; L1119-I1122 CarbonylContact O-C 3.59Å; L1119-I1122 WeakPolarHBondContact O-CG1 3.39Å; L1119-I1122 PolarHBondContact O-N 3.01Å; L1119-G1123 PolarHBondContact O-N 2.92Å; L1119-S1124 CarbonylContact C-O 3.57Å; L1119-S1124 VanDerWaalsContact CB-O 3.27Å; L1119-S1124 WeakPolarHBondContact CB-O 3.36Å; L1119-S1124 PolarHBondContact O-N 3.33Å; L1119-S1124 VanDerWaalsContact O-O 3.07Å; L1119-I1126 HydrophobicContact CD1-CG1 3.83Å; L1119-E1213 HydrophobicContact CD2-CB 4.33Å |
| 1120 | Y | 83.3 | Confident | 87.4 | Confident | 7 Ų | 7 | 14 Ų | 14 | 3% | 0.027 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.7 | -27.7 | 170.7 | -76.8 | -0.9 | 0 | 0 | 0 | 112.3 | M420 R433 D436 L437 V1116 I1122 G1123 S1124 N1125 | M420-Y1120 HydrophobicContact CE-CD2 4.27Å; R433-Y1120 HydrophobicContact CB-CE1 4.39Å; R433-Y1120 HydrophobicContact CB-CE2 3.79Å; R433-Y1120 HydrophobicContact CG-CE1 4.14Å; R433-Y1120 HydrophobicContact CG-CE2 4.42Å; D436-Y1120 PolarHBondContact OD2-OH 3.3Å; L437-Y1120 HydrophobicContact CB-CE2 4.37Å; V1116-Y1120 HydrophobicContact CG1-CD1 4.06Å; V1116-Y1120 HydrophobicContact CG1-CD2 3.93Å; V1116-Y1120 HydrophobicContact CG1-CE1 3.73Å; V1116-Y1120 HydrophobicContact CG1-CE2 3.6Å; V1116-Y1120 HydrophobicContact CG1-CG 4.17Å; V1116-Y1120 VanDerWaalsContact CG1-CZ 3.48Å; V1116-Y1120 WeakPolarHBondContact O-CB 3.21Å; V1116-Y1120 PolarHBondContact O-N 3.4Å; Y1120-I1122 PolarHBondContact O-N 3.12Å; Y1120-I1122 VanDerWaalsContact O-N 3.09Å; Y1120-G1123 PolarHBondContact O-N 3.35Å; Y1120-G1123 VanDerWaalsContact O-N 3.16Å; Y1120-S1124 WeakPolarHBondContact CD1-O 3.4Å; Y1120-S1124 PolarHBondContact N-O 2.84Å; Y1120-N1125 HydrophobicContact CE1-CB 4.13Å |
| 1121 | S | 80.7 | Confident | 87.5 | Confident | 55 Ų | 55 | 14.2 Ų | 14.2 | 39% | 0.385 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11 | 172.2 | 84 | 0 | 0 | 0 | 0 | 114.3 | I1117 L1118 L1119 | I1117-S1121 PolarHBondContact O-N 2.81Å; I1117-S1121 VanDerWaalsContact O-N 3.16Å; L1118-S1121 WeakPolarHBondContact O-CB 3.44Å; L1118-S1121 PolarHBondContact O-N 3.21Å; L1118-S1121 PolarHBondContact O-OG 2.63Å; L1119-S1121 PolarHBondContact O-N 3.18Å |
| 1122 | I | 79.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 14.4 Ų | 14.4 | 9% | 0.087 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 10.9 | 176.9 | 69.6 | 163.5 | 0 | 0 | 0 | 112.7 | L1119 Y1120 S1124 F1188 L1200 E1213 | L1119-I1122 HydrophobicContact CD2-CD1 4.39Å; L1119-I1122 CarbonylContact O-C 3.59Å; L1119-I1122 WeakPolarHBondContact O-CG1 3.39Å; L1119-I1122 PolarHBondContact O-N 3.01Å; Y1120-I1122 PolarHBondContact O-N 3.12Å; Y1120-I1122 VanDerWaalsContact O-N 3.09Å; I1122-S1124 VanDerWaalsContact C-N 3.31Å; I1122-S1124 PolarHBondContact O-N 3.35Å; I1122-F1188 HydrophobicContact CD1-CE2 4.4Å; I1122-F1188 HydrophobicContact CG2-CE2 4.09Å; I1122-F1188 HydrophobicContact CG2-CZ 3.65Å; I1122-L1200 WeakPolarHBondContact O-CD2 3.19Å; I1122-E1213 HydrophobicContact CD1-CB 3.85Å; I1122-E1213 HydrophobicContact CD1-CG 4.1Å |
| 1123 | G | 76.5 | Confident | 87.4 | Confident | 24 Ų | 24 | 15.6 Ų | 15.6 | 25% | 0.247 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 7.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1119 Y1120 | L1119-G1123 PolarHBondContact O-N 2.92Å; Y1120-G1123 PolarHBondContact O-N 3.35Å; Y1120-G1123 VanDerWaalsContact O-N 3.16Å |
| 1124 | S | 82.4 | Confident | 87.5 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | -103.6 | 162.5 | -178.3 | -174.3 | 0 | 0 | 0 | 0 | 112 | L1119 Y1120 I1122 N1211 | L1119-S1124 CarbonylContact C-O 3.57Å; L1119-S1124 VanDerWaalsContact CB-O 3.27Å; L1119-S1124 WeakPolarHBondContact CB-O 3.36Å; L1119-S1124 PolarHBondContact O-N 3.33Å; L1119-S1124 VanDerWaalsContact O-O 3.07Å; Y1120-S1124 WeakPolarHBondContact CD1-O 3.4Å; Y1120-S1124 PolarHBondContact N-O 2.84Å; I1122-S1124 VanDerWaalsContact C-N 3.31Å; I1122-S1124 PolarHBondContact O-N 3.35Å; S1124-N1211 PolarHBondContact OG-ND2 3.02Å | ||
| 1125 | N | 83.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.032 | 8% | 0.075 | C | C | . | . | trans | -130.3 | -178.9 | 167.1 | -154 | -5.1 | 0 | 0 | 0 | 111 | Y223 Y1120 Y1131 L1209 | Y223-N1125 WeakPolarHBondContact OH-CB 3.16Å; Y223-N1125 PolarHBondContact OH-ND2 2.95Å; Y1120-N1125 HydrophobicContact CE1-CB 4.13Å; N1125-Y1131 PolarHBondContact OD1-OH 3.24Å; N1125-L1209 HydrophobicContact CB-CD2 4.03Å | ||
| 1126 | I | 87.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | trans | -76 | 146.5 | 165.1 | -65 | 175.8 | 0 | 0 | 0 | 108.6 | Y223 V1116 L1119 Q1130 Y1131 | Y223-I1126 WeakPolarHBondContact CE1-O 3.5Å; Y223-I1126 PolarHBondContact OH-O 3.44Å; V1116-I1126 HydrophobicContact CG2-CD1 4.47Å; L1119-I1126 HydrophobicContact CD1-CG1 3.83Å; I1126-Q1130 HydrophobicContact CG2-CB 3.49Å; I1126-Q1130 VanDerWaalsContact CG2-CB 3.49Å; I1126-Y1131 HydrophobicContact CB-CD1 4.33Å; I1126-Y1131 HydrophobicContact CB-CD2 4.28Å; I1126-Y1131 HydrophobicContact CB-CE1 3.89Å; I1126-Y1131 HydrophobicContact CB-CE2 3.87Å; I1126-Y1131 HydrophobicContact CD1-CE1 3.89Å; I1126-Y1131 HydrophobicContact CG1-CE1 4.43Å; I1126-Y1131 HydrophobicContact CG2-CD1 3.78Å; I1126-Y1131 HydrophobicContact CG2-CD2 4Å; I1126-Y1131 HydrophobicContact CG2-CE1 3.85Å; I1126-Y1131 HydrophobicContact CG2-CE2 4.09Å; I1126-Y1131 HydrophobicContact CG2-CG 3.85Å | ||
| 1127 | S | 88.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -88.8 | 162.8 | -178.7 | 70 | 0 | 0 | 0 | 0 | 114.4 | L1129 Q1130 Y1131 E1275 | S1127-L1129 PolarHBondContact O-N 3.04Å; S1127-Q1130 WeakPolarHBondContact O-CA 3.13Å; S1127-Q1130 WeakPolarHBondContact O-CB 3.34Å; S1127-Q1130 PolarHBondContact O-N 3.22Å; S1127-Q1130 VanDerWaalsContact OG-CG 3.3Å; S1127-Q1130 WeakPolarHBondContact OG-CG 3.24Å; S1127-Q1130 PolarHBondContact OG-NE2 3.01Å; S1127-Y1131 PolarHBondContact O-N 2.94Å; S1127-E1275 WeakPolarHBondContact CB-OE2 3.19Å | ||
| 1128 | D | 89 | Confident | 87 | Confident | 20 Ų | 20 | 19.1 Ų | 19.1 | 11% | 0.107 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | -172.7 | -169.9 | 17.1 | 0 | 0 | 0 | 113.6 | Y223 W224 M225 Y226 Q1130 T1132 | Y223-D1128 HydrophobicContact CD1-CB 3.84Å; Y223-D1128 HydrophobicContact CE1-CB 4.43Å; W224-D1128 PolarHBondContact N-OD2 3.04Å; M225-D1128 WeakPolarHBondContact CB-OD2 3.37Å; M225-D1128 PolarHBondContact N-OD2 3.47Å; Y226-D1128 WeakPolarHBondContact CB-OD1 3.32Å; Y226-D1128 PolarHBondContact N-OD1 2.97Å; D1128-Q1130 VanDerWaalsContact C-N 3.35Å; D1128-T1132 VanDerWaalsContact O-CB 3.31Å; D1128-T1132 WeakPolarHBondContact O-CB 3.46Å; D1128-T1132 PolarHBondContact O-N 3.2Å; D1128-T1132 PolarHBondContact O-OG1 2.63Å |
| 1129 | L | 89.8 | Confident | 87.2 | Confident | 28 Ų | 28 | 17.9 Ų | 17.9 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.3 | -31 | 173.8 | -171.2 | 62.7 | 0 | 0 | 0 | 112.6 | M225 S1127 F1133 L1273 F1274 | M225-L1129 HydrophobicContact CE-CB 3.75Å; M225-L1129 HydrophobicContact CE-CD1 3.63Å; M225-L1129 HydrophobicContact CE-CG 4.27Å; M225-L1129 HydrophobicContact SD-CD1 4.16Å; S1127-L1129 PolarHBondContact O-N 3.04Å; L1129-F1133 VanDerWaalsContact O-CB 3.22Å; L1129-F1133 WeakPolarHBondContact O-CB 3.09Å; L1129-F1133 PolarHBondContact O-N 2.97Å; L1129-L1273 VanDerWaalsContact CD2-C 3.44Å; L1129-L1273 HydrophobicContact CD2-CB 3.63Å; L1129-L1273 HydrophobicContact CD2-CD2 3.83Å; L1129-L1273 HydrophobicContact CD2-CG 3.81Å; L1129-L1273 VanDerWaalsContact CD2-O 3.29Å; L1129-L1273 WeakPolarHBondContact CD2-O 3.14Å; L1129-F1274 HydrophobicContact CD2-CD1 4.35Å; L1129-F1274 HydrophobicContact CD2-CD2 3.42Å; L1129-F1274 VanDerWaalsContact CD2-CD2 3.42Å; L1129-F1274 HydrophobicContact CD2-CE1 4.49Å; L1129-F1274 HydrophobicContact CD2-CE2 3.58Å; L1129-F1274 HydrophobicContact CD2-CG 3.84Å; L1129-F1274 HydrophobicContact CD2-CZ 4.13Å; L1129-F1274 HydrophobicContact CG-CD1 4.27Å; L1129-F1274 HydrophobicContact CG-CD2 4.16Å; L1129-F1274 HydrophobicContact CG-CE1 4.22Å; L1129-F1274 HydrophobicContact CG-CE2 4.09Å; L1129-F1274 HydrophobicContact CG-CG 4.25Å; L1129-F1274 HydrophobicContact CG-CZ 4.13Å |
| 1130 | Q | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.5 | -45.5 | 175.9 | -69.7 | 174.6 | 17.5 | 0 | 0 | 110.9 | I1126 S1127 D1128 F1133 I1134 F1218 F1274 | I1126-Q1130 HydrophobicContact CG2-CB 3.49Å; I1126-Q1130 VanDerWaalsContact CG2-CB 3.49Å; S1127-Q1130 WeakPolarHBondContact O-CA 3.13Å; S1127-Q1130 WeakPolarHBondContact O-CB 3.34Å; S1127-Q1130 PolarHBondContact O-N 3.22Å; S1127-Q1130 VanDerWaalsContact OG-CG 3.3Å; S1127-Q1130 WeakPolarHBondContact OG-CG 3.24Å; S1127-Q1130 PolarHBondContact OG-NE2 3.01Å; D1128-Q1130 VanDerWaalsContact C-N 3.35Å; Q1130-F1133 PolarHBondContact O-N 3.07Å; Q1130-I1134 WeakPolarHBondContact O-CD1 3.27Å; Q1130-I1134 VanDerWaalsContact O-CG1 3.25Å; Q1130-I1134 WeakPolarHBondContact O-CG1 3.43Å; Q1130-I1134 PolarHBondContact O-N 3.08Å; Q1130-F1218 HydrophobicContact CB-CD2 3.73Å; Q1130-F1218 HydrophobicContact CB-CE2 3.51Å; Q1130-F1218 HydrophobicContact CB-CZ 4.23Å; Q1130-F1218 HydrophobicContact CG-CD1 4.48Å; Q1130-F1218 HydrophobicContact CG-CD2 3.78Å; Q1130-F1218 HydrophobicContact CG-CE1 4.37Å; Q1130-F1218 HydrophobicContact CG-CE2 3.66Å; Q1130-F1218 HydrophobicContact CG-CG 4.2Å; Q1130-F1218 HydrophobicContact CG-CZ 3.97Å; Q1130-F1274 HydrophobicContact CG-CD1 4.2Å; Q1130-F1274 PolarHBondContact NE2-O 3.26Å |
| 1131 | Y | 90.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 172.7 | -80 | -49.6 | 0 | 0 | 0 | 112.1 | Y223 Q1112 V1116 N1125 I1126 S1127 F1133 I1134 D1135 | Y223-Y1131 AromaticContact CD1-CD2 3.9Å; Y223-Y1131 HydrophobicContact CD1-CD2 3.9Å; Y223-Y1131 HydrophobicContact CD1-CE2 4.35Å; Y223-Y1131 AromaticContact CE1-CD2 3.56Å; Y223-Y1131 HydrophobicContact CE1-CD2 3.56Å; Y223-Y1131 AromaticContact CE1-CE2 3.71Å; Y223-Y1131 HydrophobicContact CE1-CE2 3.71Å; Y223-Y1131 HydrophobicContact CE2-CE2 4.49Å; Y223-Y1131 AromaticContact CZ-CE2 3.8Å; Q1112-Y1131 HydrophobicContact CG-CE1 4.18Å; V1116-Y1131 WeakPolarHBondContact CG2-OH 3.35Å; N1125-Y1131 PolarHBondContact OD1-OH 3.24Å; I1126-Y1131 HydrophobicContact CB-CD1 4.33Å; I1126-Y1131 HydrophobicContact CB-CD2 4.28Å; I1126-Y1131 HydrophobicContact CB-CE1 3.89Å; I1126-Y1131 HydrophobicContact CB-CE2 3.87Å; I1126-Y1131 HydrophobicContact CD1-CE1 3.89Å; I1126-Y1131 HydrophobicContact CG1-CE1 4.43Å; I1126-Y1131 HydrophobicContact CG2-CD1 3.78Å; I1126-Y1131 HydrophobicContact CG2-CD2 4Å; I1126-Y1131 HydrophobicContact CG2-CE1 3.85Å; I1126-Y1131 HydrophobicContact CG2-CE2 4.09Å; I1126-Y1131 HydrophobicContact CG2-CG 3.85Å; S1127-Y1131 PolarHBondContact O-N 2.94Å; Y1131-F1133 VanDerWaalsContact C-N 3.26Å; Y1131-F1133 PolarHBondContact O-N 3.09Å; Y1131-I1134 PolarHBondContact O-N 3Å; Y1131-I1134 VanDerWaalsContact O-N 3.13Å; Y1131-D1135 PolarHBondContact O-N 2.61Å |
| 1132 | T | 90.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.6 | -40.9 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | M225 Y226 D1128 F1136 F1137 | M225-T1132 HydrophobicContact CG-CG2 4.38Å; Y226-T1132 WeakPolarHBondContact CA-OG1 3.35Å; Y226-T1132 WeakPolarHBondContact CB-OG1 3.36Å; Y226-T1132 PolarHBondContact N-OG1 3.47Å; D1128-T1132 VanDerWaalsContact O-CB 3.31Å; D1128-T1132 WeakPolarHBondContact O-CB 3.46Å; D1128-T1132 PolarHBondContact O-N 3.2Å; D1128-T1132 PolarHBondContact O-OG1 2.63Å; T1132-F1136 WeakPolarHBondContact O-CB 3.46Å; T1132-F1136 PolarHBondContact O-N 3.13Å; T1132-F1137 HydrophobicContact CG2-CE2 4.5Å |
| 1133 | F | 91.3 | Very high | 88.2 | Confident | 31 Ų | 31 | 19.5 Ų | 19.5 | 14% | 0.136 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -67.4 | -41.7 | 176.3 | -179.4 | -103.5 | 0 | 0 | 0 | 113.1 | L1129 Q1130 Y1131 F1137 V1138 F1218 V1222 L1262 F1274 | L1129-F1133 VanDerWaalsContact O-CB 3.22Å; L1129-F1133 WeakPolarHBondContact O-CB 3.09Å; L1129-F1133 PolarHBondContact O-N 2.97Å; Q1130-F1133 PolarHBondContact O-N 3.07Å; Y1131-F1133 VanDerWaalsContact C-N 3.26Å; Y1131-F1133 PolarHBondContact O-N 3.09Å; F1133-F1137 HydrophobicContact CD2-CB 3.86Å; F1133-F1137 HydrophobicContact CD2-CD2 4.45Å; F1133-F1137 HydrophobicContact CD2-CG 4.35Å; F1133-F1137 HydrophobicContact CE2-CB 4.16Å; F1133-F1137 WeakPolarHBondContact O-CB 3.07Å; F1133-F1137 PolarHBondContact O-N 3.11Å; F1133-V1138 HydrophobicContact CD1-CG2 4.18Å; F1133-V1138 HydrophobicContact CE1-CG2 3.7Å; F1133-V1138 HydrophobicContact CZ-CG2 3.89Å; F1133-V1138 PolarHBondContact O-N 3.2Å; F1133-F1218 HydrophobicContact CD1-CZ 4.05Å; F1133-V1222 HydrophobicContact CE1-CG1 4.09Å; F1133-V1222 HydrophobicContact CE1-CG2 4.43Å; F1133-L1262 HydrophobicContact CD1-CD1 4.21Å; F1133-L1262 HydrophobicContact CE1-CD1 3.59Å; F1133-L1262 HydrophobicContact CE2-CD1 4.23Å; F1133-L1262 HydrophobicContact CZ-CD1 3.6Å; F1133-F1274 HydrophobicContact CB-CE1 3.55Å; F1133-F1274 HydrophobicContact CB-CZ 3.98Å; F1133-F1274 HydrophobicContact CD1-CE1 4.04Å; F1133-F1274 HydrophobicContact CD2-CE1 4.07Å; F1133-F1274 AromaticContact CD2-CZ 3.84Å; F1133-F1274 HydrophobicContact CD2-CZ 3.84Å; F1133-F1274 AromaticContact CG-CE1 3.61Å; F1133-F1274 HydrophobicContact CG-CE1 3.61Å; F1133-F1274 AromaticContact CG-CZ 3.88Å; F1133-F1274 HydrophobicContact CG-CZ 3.88Å |
| 1134 | I | 91.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -62.9 | -64.6 | 177.7 | -68 | 163.2 | 0 | 0 | 0 | 109.9 | Q1130 Y1131 V1138 I1139 F1218 V1222 Y1225 | Q1130-I1134 WeakPolarHBondContact O-CD1 3.27Å; Q1130-I1134 VanDerWaalsContact O-CG1 3.25Å; Q1130-I1134 WeakPolarHBondContact O-CG1 3.43Å; Q1130-I1134 PolarHBondContact O-N 3.08Å; Y1131-I1134 PolarHBondContact O-N 3Å; Y1131-I1134 VanDerWaalsContact O-N 3.13Å; I1134-V1138 WeakPolarHBondContact O-CB 3.4Å; I1134-V1138 PolarHBondContact O-N 3.5Å; I1134-I1139 HydrophobicContact CG2-CG1 4.04Å; I1134-I1139 WeakPolarHBondContact O-CG1 3.43Å; I1134-I1139 PolarHBondContact O-N 3.34Å; I1134-F1218 HydrophobicContact CD1-CD2 4.06Å; I1134-F1218 HydrophobicContact CD1-CE2 3.96Å; I1134-F1218 HydrophobicContact CG1-CE2 4.1Å; I1134-V1222 HydrophobicContact CG1-CG2 4.22Å; I1134-Y1225 HydrophobicContact CB-CE2 4.26Å; I1134-Y1225 HydrophobicContact CD1-CE2 3.95Å; I1134-Y1225 HydrophobicContact CG1-CD2 4.49Å; I1134-Y1225 HydrophobicContact CG1-CE2 3.85Å; I1134-Y1225 HydrophobicContact CG2-CD2 3.83Å; I1134-Y1225 HydrophobicContact CG2-CE2 3.38Å |
| 1135 | D | 89.3 | Confident | 89 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -73.4 | -42.5 | -167.3 | -88.9 | 57.2 | 0 | 0 | 0 | 112.7 | Y226 P444 Y1108 Y1131 T1140 | Y226-D1135 HydrophobicContact CE2-CB 3.95Å; P444-D1135 WeakPolarHBondContact CG-OD2 3.4Å; Y1108-D1135 WeakPolarHBondContact CE2-OD1 3.45Å; Y1108-D1135 PolarHBondContact OH-OD2 3.49Å; Y1131-D1135 PolarHBondContact O-N 2.61Å; D1135-T1140 WeakPolarHBondContact O-CB 3.09Å; D1135-T1140 PolarHBondContact O-N 2.91Å; D1135-T1140 PolarHBondContact O-OG1 3.46Å |
| 1136 | F | 85.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 21.2 Ų | 21.2 | 27% | 0.272 | 10% | 0.102 | S | C | . | . | I | π-helix | trans | -83.3 | -52.7 | -178.4 | -175.7 | -129.2 | 0 | 0 | 0 | 112.8 | I233 T1132 T1140 F1141 | I233-F1136 HydrophobicContact CD1-CD2 3.4Å; I233-F1136 VanDerWaalsContact CD1-CD2 3.4Å; I233-F1136 HydrophobicContact CD1-CE2 3.82Å; I233-F1136 HydrophobicContact CD1-CG 4.22Å; I233-F1136 HydrophobicContact CG1-CD2 4.17Å; I233-F1136 HydrophobicContact CG1-CE2 4.07Å; T1132-F1136 WeakPolarHBondContact O-CB 3.46Å; T1132-F1136 PolarHBondContact O-N 3.13Å; F1136-T1140 WeakPolarHBondContact O-CB 2.72Å; F1136-F1141 VanDerWaalsContact O-CD2 3.23Å; F1136-F1141 WeakPolarHBondContact O-CD2 3.25Å |
| 1137 | F | 87 | Confident | 89 | Confident | 102 Ų | 102 | 21.3 Ų | 21.3 | 45% | 0.447 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -83 | -31.6 | -172.1 | -70.7 | -85.3 | 0 | 0 | 0 | 114.2 | T1132 F1133 F1141 | T1132-F1137 HydrophobicContact CG2-CE2 4.5Å; F1133-F1137 HydrophobicContact CD2-CB 3.86Å; F1133-F1137 HydrophobicContact CD2-CD2 4.45Å; F1133-F1137 HydrophobicContact CD2-CG 4.35Å; F1133-F1137 HydrophobicContact CE2-CB 4.16Å; F1133-F1137 WeakPolarHBondContact O-CB 3.07Å; F1133-F1137 PolarHBondContact O-N 3.11Å; F1137-F1141 WeakPolarHBondContact O-CD2 3.45Å |
| 1138 | V | 91.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -97.6 | -63.4 | 179 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | F1133 I1134 L1142 V1222 I1226 | F1133-V1138 HydrophobicContact CD1-CG2 4.18Å; F1133-V1138 HydrophobicContact CE1-CG2 3.7Å; F1133-V1138 HydrophobicContact CZ-CG2 3.89Å; F1133-V1138 PolarHBondContact O-N 3.2Å; I1134-V1138 WeakPolarHBondContact O-CB 3.4Å; I1134-V1138 PolarHBondContact O-N 3.5Å; V1138-L1142 HydrophobicContact CG1-CD1 3.68Å; V1138-L1142 VanDerWaalsContact O-CB 3.26Å; V1138-L1142 WeakPolarHBondContact O-CB 3.36Å; V1138-L1142 VanDerWaalsContact O-CG 3.26Å; V1138-L1142 WeakPolarHBondContact O-CG 3.39Å; V1138-L1142 PolarHBondContact O-N 2.65Å; V1138-V1222 HydrophobicContact CG2-CG1 4.45Å; V1138-I1226 HydrophobicContact CG1-CG1 4.31Å |
| 1139 | I | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -67.4 | -48.2 | -170.8 | -60.4 | -60.9 | 0 | 0 | 0 | 112.3 | F1104 M1105 Y1108 I1134 L1142 G1143 Y1225 | F1104-I1139 HydrophobicContact CE1-CG2 4.23Å; F1104-I1139 HydrophobicContact CE2-CD1 4.18Å; F1104-I1139 HydrophobicContact CZ-CD1 3.76Å; F1104-I1139 HydrophobicContact CZ-CG2 4.31Å; M1105-I1139 HydrophobicContact CE-CG2 3.88Å; M1105-I1139 HydrophobicContact SD-CG2 4.2Å; Y1108-I1139 HydrophobicContact CD1-CD1 4.05Å; Y1108-I1139 HydrophobicContact CD1-CG1 4.33Å; Y1108-I1139 HydrophobicContact CD1-CG2 3.82Å; Y1108-I1139 HydrophobicContact CD2-CD1 3.77Å; Y1108-I1139 HydrophobicContact CD2-CG1 3.7Å; Y1108-I1139 HydrophobicContact CD2-CG2 4.48Å; Y1108-I1139 HydrophobicContact CE1-CG2 3.57Å; Y1108-I1139 HydrophobicContact CE2-CD1 4.43Å; Y1108-I1139 HydrophobicContact CE2-CG1 3.9Å; Y1108-I1139 HydrophobicContact CE2-CG2 4.23Å; Y1108-I1139 HydrophobicContact CG-CD1 3.53Å; Y1108-I1139 HydrophobicContact CG-CG1 3.92Å; Y1108-I1139 HydrophobicContact CG-CG2 4.28Å; I1134-I1139 HydrophobicContact CG2-CG1 4.04Å; I1134-I1139 WeakPolarHBondContact O-CG1 3.43Å; I1134-I1139 PolarHBondContact O-N 3.34Å; I1139-L1142 PolarHBondContact O-N 3.38Å; I1139-G1143 PolarHBondContact O-N 3.29Å; I1139-Y1225 HydrophobicContact CD1-CD1 4.46Å; I1139-Y1225 HydrophobicContact CD1-CD2 4.36Å; I1139-Y1225 HydrophobicContact CD1-CG 3.97Å |
| 1140 | T | 85.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 25.9 Ų | 25.9 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -63.9 | -48.7 | -177.2 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | D1135 F1136 G1143 L1144 | D1135-T1140 WeakPolarHBondContact O-CB 3.09Å; D1135-T1140 PolarHBondContact O-N 2.91Å; D1135-T1140 PolarHBondContact O-OG1 3.46Å; F1136-T1140 WeakPolarHBondContact O-CB 2.72Å; T1140-G1143 PolarHBondContact O-N 2.88Å; T1140-L1144 HydrophobicContact CG2-CD1 3.98Å; T1140-L1144 HydrophobicContact CG2-CG 4.35Å; T1140-L1144 WeakPolarHBondContact O-CB 3.42Å; T1140-L1144 VanDerWaalsContact O-CG 3.26Å; T1140-L1144 WeakPolarHBondContact O-CG 3.5Å; T1140-L1144 PolarHBondContact O-N 3Å |
| 1141 | F | 88.6 | Confident | 89.1 | Confident | 90 Ų | 90 | 26.1 Ų | 26.1 | 40% | 0.395 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.3 | -76 | -85.1 | 0 | 0 | 0 | 112.7 | F1136 F1137 T1145 N1251 | F1136-F1141 VanDerWaalsContact O-CD2 3.23Å; F1136-F1141 WeakPolarHBondContact O-CD2 3.25Å; F1137-F1141 WeakPolarHBondContact O-CD2 3.45Å; F1141-T1145 WeakPolarHBondContact O-CB 3.46Å; F1141-T1145 WeakPolarHBondContact O-CG2 3.38Å; F1141-T1145 PolarHBondContact O-N 3.41Å; F1141-T1145 PolarHBondContact O-OG1 3.06Å; F1141-N1251 PolarHBondContact O-ND2 2.88Å |
| 1142 | L | 91.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.4 | -74.7 | 169.8 | 0 | 0 | 0 | 111.3 | F1104 V1138 I1139 T1145 F1146 I1226 A1229 F1248 N1251 L1252 | F1104-L1142 HydrophobicContact CE1-CB 4.4Å; F1104-L1142 HydrophobicContact CZ-CB 4.05Å; V1138-L1142 HydrophobicContact CG1-CD1 3.68Å; V1138-L1142 VanDerWaalsContact O-CB 3.26Å; V1138-L1142 WeakPolarHBondContact O-CB 3.36Å; V1138-L1142 VanDerWaalsContact O-CG 3.26Å; V1138-L1142 WeakPolarHBondContact O-CG 3.39Å; V1138-L1142 PolarHBondContact O-N 2.65Å; I1139-L1142 PolarHBondContact O-N 3.38Å; L1142-T1145 PolarHBondContact O-N 2.74Å; L1142-T1145 PolarHBondContact O-OG1 3.1Å; L1142-F1146 WeakPolarHBondContact O-CB 3.48Å; L1142-F1146 PolarHBondContact O-N 2.81Å; L1142-I1226 HydrophobicContact CD1-CG1 4.25Å; L1142-A1229 HydrophobicContact CD1-CB 4.16Å; L1142-A1229 HydrophobicContact CD2-CB 4.39Å; L1142-F1248 HydrophobicContact CD2-CE2 4.04Å; L1142-N1251 WeakPolarHBondContact CA-ND2 3.17Å; L1142-N1251 PolarHBondContact N-ND2 2.89Å; L1142-L1252 HydrophobicContact CD2-CG 4.3Å |
| 1143 | G | 87.6 | Confident | 89 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | V449 I1139 T1140 | V449-G1143 WeakPolarHBondContact CG1-O 3.1Å; I1139-G1143 PolarHBondContact O-N 3.29Å; T1140-G1143 PolarHBondContact O-N 2.88Å |
| 1144 | L | 85.1 | Confident | 88.9 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.6 | -50.3 | 174.5 | -70.1 | 175.1 | 0 | 0 | 0 | 111.5 | V448 V452 T1140 F1146 G1147 Y1148 | V448-L1144 HydrophobicContact CG1-CD2 4.34Å; V452-L1144 HydrophobicContact CG2-CD2 3.82Å; T1140-L1144 HydrophobicContact CG2-CD1 3.98Å; T1140-L1144 HydrophobicContact CG2-CG 4.35Å; T1140-L1144 WeakPolarHBondContact O-CB 3.42Å; T1140-L1144 VanDerWaalsContact O-CG 3.26Å; T1140-L1144 WeakPolarHBondContact O-CG 3.5Å; T1140-L1144 PolarHBondContact O-N 3Å; L1144-F1146 PolarHBondContact O-N 3.29Å; L1144-G1147 PolarHBondContact O-N 2.84Å; L1144-Y1148 WeakPolarHBondContact O-CD2 3.41Å |
| 1145 | T | 89.9 | Confident | 88.8 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.8 | -26.8 | -175.6 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | F1141 L1142 G1147 Y1148 N1245 L1247 F1248 N1251 | F1141-T1145 WeakPolarHBondContact O-CB 3.46Å; F1141-T1145 WeakPolarHBondContact O-CG2 3.38Å; F1141-T1145 PolarHBondContact O-N 3.41Å; F1141-T1145 PolarHBondContact O-OG1 3.06Å; L1142-T1145 PolarHBondContact O-N 2.74Å; L1142-T1145 PolarHBondContact O-OG1 3.1Å; T1145-G1147 PolarHBondContact O-N 3.02Å; T1145-Y1148 PolarHBondContact O-N 2.91Å; T1145-Y1148 VanDerWaalsContact O-N 3.14Å; T1145-N1245 PolarHBondContact O-ND2 2.75Å; T1145-L1247 HydrophobicContact CG2-CD2 3.98Å; T1145-L1247 HydrophobicContact CG2-CG 3.79Å; T1145-F1248 WeakPolarHBondContact OG1-CD2 3.27Å; T1145-N1251 HydrophobicContact CG2-CB 4.39Å; T1145-N1251 PolarHBondContact OG1-ND2 3.02Å |
| 1146 | F | 89.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.5 | -30.6 | 172.4 | -177.1 | -82.7 | 0 | 0 | 0 | 112.5 | T1097 A1101 L1142 L1144 Y1148 F1232 R1239 F1248 | T1097-F1146 HydrophobicContact CG2-CD1 4.25Å; T1097-F1146 HydrophobicContact CG2-CE1 4.33Å; A1101-F1146 HydrophobicContact CB-CD1 4.05Å; A1101-F1146 HydrophobicContact CB-CE1 3.98Å; L1142-F1146 WeakPolarHBondContact O-CB 3.48Å; L1142-F1146 PolarHBondContact O-N 2.81Å; L1144-F1146 PolarHBondContact O-N 3.29Å; F1146-Y1148 VanDerWaalsContact C-N 3.32Å; F1146-Y1148 PolarHBondContact O-N 2.92Å; F1146-F1232 WeakPolarHBondContact CZ-O 2.99Å; F1146-R1239 PolarHBondContact O-NH2 2.9Å; F1146-F1248 HydrophobicContact CB-CD2 4.27Å; F1146-F1248 HydrophobicContact CB-CE2 3.92Å; F1146-F1248 HydrophobicContact CD2-CE2 4.13Å; F1146-F1248 HydrophobicContact CD2-CZ 4.05Å |
| 1147 | G | 84.5 | Confident | 88.7 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L456 L1144 T1145 T1149 | L456-G1147 VanDerWaalsContact CD1-C 3.46Å; L456-G1147 WeakPolarHBondContact CD1-O 3.44Å; L1144-G1147 PolarHBondContact O-N 2.84Å; T1145-G1147 PolarHBondContact O-N 3.02Å; G1147-T1149 PolarHBondContact O-N 2.88Å |
| 1148 | Y | 88.9 | Confident | 88.4 | Confident | 108 Ų | 108 | 42.1 Ų | 42.1 | 42% | 0.424 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12 | -168.2 | -79.6 | -106.9 | 0 | 0 | 0 | 115.2 | L456 L1144 T1145 F1146 P1150 N1245 L1247 | L456-Y1148 HydrophobicContact CD1-CD1 4.47Å; L456-Y1148 HydrophobicContact CD1-CD2 3.54Å; L456-Y1148 HydrophobicContact CD1-CE2 3.67Å; L456-Y1148 HydrophobicContact CD1-CG 3.97Å; L456-Y1148 HydrophobicContact CD2-CD1 4.2Å; L456-Y1148 HydrophobicContact CD2-CD2 4.46Å; L456-Y1148 HydrophobicContact CD2-CE1 3.82Å; L456-Y1148 HydrophobicContact CD2-CE2 4.1Å; L1144-Y1148 WeakPolarHBondContact O-CD2 3.41Å; T1145-Y1148 PolarHBondContact O-N 2.91Å; T1145-Y1148 VanDerWaalsContact O-N 3.14Å; F1146-Y1148 VanDerWaalsContact C-N 3.32Å; F1146-Y1148 PolarHBondContact O-N 2.92Å; Y1148-P1150 WeakPolarHBondContact O-CD 3.45Å; Y1148-N1245 WeakPolarHBondContact CB-ND2 3.43Å; Y1148-L1247 HydrophobicContact CD1-CD2 4.3Å; Y1148-L1247 HydrophobicContact CD2-CD2 4.46Å; Y1148-L1247 HydrophobicContact CE1-CD2 4.24Å; Y1148-L1247 HydrophobicContact CE2-CD2 4.42Å; Y1148-L1247 HydrophobicContact CG-CD2 4.41Å |
| 1149 | T | 89.6 | Confident | 88 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 119.9 | -177.2 | -46.1 | 0 | 0 | 0 | 0 | 110.7 | G1147 R1239 R1240 N1245 | G1147-T1149 PolarHBondContact O-N 2.88Å; T1149-R1239 HydrophobicContact CG2-CB 4.43Å; T1149-R1240 HydrophobicContact CG2-CB 4.44Å; T1149-R1240 WeakPolarHBondContact CG2-O 3.47Å; T1149-N1245 HydrophobicContact CG2-CB 4.4Å; T1149-N1245 PolarHBondContact N-ND2 2.83Å; T1149-N1245 WeakPolarHBondContact OG1-CB 3.41Å; T1149-N1245 PolarHBondContact OG1-ND2 3.4Å |
| 1150 | P | 90.3 | Very high | 87.7 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 165.2 | -173 | 31.3 | -37.1 | 0 | 0 | 0 | 112.9 | Y1148 R1240 | Y1148-P1150 WeakPolarHBondContact O-CD 3.45Å; P1150-R1240 HydrophobicContact CG-CB 4.34Å; P1150-R1240 HydrophobicContact CG-CG 4.13Å; P1150-R1240 PolarHBondContact O-N 2.92Å |
| 1151 | A | 91.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 150.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1089 E1090 C1093 R1240 | R1089-A1151 HydrophobicContact CG-CB 3.91Å; E1090-A1151 HydrophobicContact CG-CB 4.45Å; E1090-A1151 WeakPolarHBondContact OE1-CB 3.38Å; C1093-A1151 HydrophobicContact CB-CB 3.49Å; C1093-A1151 VanDerWaalsContact CB-CB 3.49Å; A1151-R1240 WeakPolarHBondContact O-CG 3.48Å; A1151-R1240 PolarHBondContact O-NE 3.35Å |
| 1152 | Y | 91.4 | Very high | 86.4 | Confident | 91 Ų | 91 | 44.7 Ų | 44.7 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 132.6 | 176.2 | -164 | -100.1 | 0 | 0 | 0 | 110.7 | R1089 R1154 A1236 P1237 Y1238 | R1089-Y1152 WeakPolarHBondContact CD-O 3.12Å; R1089-Y1152 WeakPolarHBondContact CG-O 3.15Å; Y1152-R1154 HydrophobicContact CD1-CB 4.23Å; Y1152-R1154 HydrophobicContact CE1-CB 4.08Å; Y1152-R1154 PolarHBondContact O-N 3.28Å; Y1152-A1236 HydrophobicContact CD2-CB 4.39Å; Y1152-A1236 HydrophobicContact CE2-CB 4.26Å; Y1152-P1237 VanDerWaalsContact CB-O 3.31Å; Y1152-P1237 WeakPolarHBondContact CB-O 3.48Å; Y1152-Y1238 PolarHBondContact N-O 3.41Å |
| 1153 | P | 88.2 | Confident | 85.7 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -61.2 | -39.7 | -169.5 | -26.9 | 35.4 | 0 | 0 | 0 | 115.2 | R1089 | R1089-P1153 PolarHBondContact NE-O 3.14Š|
| 1154 | R | 89.8 | Confident | 85 | Confident | 197 Ų | 197 | 52.4 Ų | 52.4 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.7 | 137.7 | 177 | -66.2 | -177.5 | 175.9 | 176.4 | -2.1 | 110.3 | Y1152 | Y1152-R1154 HydrophobicContact CD1-CB 4.23Å; Y1152-R1154 HydrophobicContact CE1-CB 4.08Å; Y1152-R1154 PolarHBondContact O-N 3.28Å |
| 1155 | L | 89.6 | Confident | 84.5 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 133.9 | 174.7 | -168.2 | 57.6 | 0 | 0 | 0 | 109.9 | L716 A719 I721 P1085 I1088 R1089 | L716-L1155 HydrophobicContact CD2-CD2 4.31Å; A719-L1155 HydrophobicContact CB-CB 4.14Å; A719-L1155 HydrophobicContact CB-CD2 3.53Å; A719-L1155 HydrophobicContact CB-CG 3.62Å; I721-L1155 HydrophobicContact CD1-CD2 3.9Å; P1085-L1155 HydrophobicContact CB-CD2 4.39Å; I1088-L1155 HydrophobicContact CB-CD1 4.46Å; I1088-L1155 HydrophobicContact CG2-CD1 3.95Å; R1089-L1155 HydrophobicContact CB-CD1 4.35Å |
| 1156 | S | 85.8 | Confident | 83.9 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 161.9 | -179.6 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | A719 R1092 E1158 Y1238 | A719-S1156 WeakPolarHBondContact CB-O 3.27Å; R1092-S1156 PolarHBondContact NH1-O 2.61Å; R1092-S1156 PolarHBondContact NH1-OG 3.26Å; S1156-E1158 WeakPolarHBondContact CB-O 3.44Å; S1156-E1158 PolarHBondContact OG-O 3.39Å; S1156-Y1238 WeakPolarHBondContact OG-CE1 3.22Å |
| 1157 | V | 85.5 | Confident | 83.4 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -86.8 | -46.5 | 173.5 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | Y718 N720 | Y718-V1157 HydrophobicContact CE1-CG2 4.48Å; N720-V1157 HydrophobicContact CB-CG1 3.72Å |
| 1158 | E | 80.9 | Confident | 83.3 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -73.9 | 136.7 | 167.7 | -66.4 | -163.5 | 145.1 | 0 | 0 | 110 | S1156 Y1238 R1312 | S1156-E1158 WeakPolarHBondContact CB-O 3.44Å; S1156-E1158 PolarHBondContact OG-O 3.39Å; E1158-Y1238 WeakPolarHBondContact O-CE1 3.36Å; E1158-Y1238 PolarHBondContact O-OH 2.74Å; E1158-R1312 IonicContact OE2-CZ 2.66Å; E1158-R1312 IonicContact OE2-NH1 3.83Å; E1158-R1312 PolarHBondContact OE2-NH1 3.29Å |
| 1159 | P | 84.2 | Confident | 82.9 | Confident | 57 Ų | 57 | 53.7 Ų | 53.7 | 37% | 0.37 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 155 | 163.8 | 33.8 | -33.1 | 0 | 0 | 0 | 111.5 | Y1238 | P1159-Y1238 PolarHBondContact O-OH 2.86Š|
| 1160 | P | 83.3 | Confident | 82.7 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 153.6 | 173.3 | 27.1 | -33.5 | 0 | 0 | 0 | 112.4 | V479 R1092 L1095 Y1238 | V479-P1160 HydrophobicContact CG1-CG 4.46Å; V479-P1160 VanDerWaalsContact CG1-O 3.29Å; V479-P1160 WeakPolarHBondContact CG1-O 3.13Å; R1092-P1160 HydrophobicContact CB-CG 4.35Å; R1092-P1160 HydrophobicContact CG-CG 4.06Å; L1095-P1160 HydrophobicContact CB-CG 4.48Å; L1095-P1160 HydrophobicContact CD2-CB 4.24Å; L1095-P1160 HydrophobicContact CD2-CG 3.92Å; P1160-Y1238 HydrophobicContact CB-CE1 4.37Å; P1160-Y1238 HydrophobicContact CB-CE2 4.48Å; P1160-Y1238 HydrophobicContact CG-CE1 4.39Å |
| 1161 | G | 76 | Confident | 82.5 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 131.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1099 | F1099-G1161 WeakPolarHBondContact CE1-O 3.5Å; F1099-G1161 WeakPolarHBondContact CZ-O 3.47Å |
| 1162 | M | 72.5 | Confident | 82.4 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 19% | 0.192 | 31% | 0.305 | C | S | . | . | trans | -83.4 | -16 | -177.8 | -88.5 | -117.4 | -73.2 | 0 | 0 | 116.6 | F392 V479 F1040 L1095 | F392-M1162 HydrophobicContact CD2-SD 4.15Å; F392-M1162 HydrophobicContact CE2-SD 3.81Å; V479-M1162 HydrophobicContact CB-CG 4.05Å; V479-M1162 HydrophobicContact CG1-CG 3.48Å; V479-M1162 VanDerWaalsContact CG1-CG 3.48Å; V479-M1162 HydrophobicContact CG1-SD 4.44Å; V479-M1162 HydrophobicContact CG2-CE 4.03Å; V479-M1162 HydrophobicContact CG2-CG 3.69Å; V479-M1162 HydrophobicContact CG2-SD 3.69Å; F1040-M1162 HydrophobicContact CD1-CE 4.38Å; F1040-M1162 HydrophobicContact CE1-CE 3.49Å; F1040-M1162 VanDerWaalsContact CE1-CE 3.49Å; F1040-M1162 HydrophobicContact CE2-CE 4.03Å; F1040-M1162 HydrophobicContact CZ-CE 3.28Å; L1095-M1162 HydrophobicContact CD2-CG 4.4Å | ||
| 1163 | R | 76.9 | Confident | 82.2 | Confident | 165 Ų | 165 | 54.1 Ų | 54.1 | 62% | 0.623 | 29% | 0.291 | S | S | * | . | trans | -97.5 | 123.3 | -177.5 | -63.3 | -168.5 | -165.9 | -172.8 | 5.6 | 110.5 | D397 F1099 V1165 S1166 | D397-R1163 WeakPolarHBondContact OD2-CA 3.49Å; D397-R1163 WeakPolarHBondContact OD2-CB 3.49Å; F1099-R1163 WeakPolarHBondContact CE1-O 3.18Å; R1163-V1165 VanDerWaalsContact C-N 3.31Å; R1163-S1166 PolarHBondContact O-N 2.86Å | ||
| 1164 | L | 72.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -62 | -45.7 | 175.4 | -139.4 | 68.2 | 0 | 0 | 0 | 109.7 | F394 D397 S398 F401 F1099 F1102 S1166 T1169 | F394-L1164 HydrophobicContact CD2-CD1 3.82Å; F394-L1164 HydrophobicContact CE2-CD1 3.39Å; F394-L1164 HydrophobicContact CZ-CD1 4.01Å; D397-L1164 HydrophobicContact CB-CB 3.7Å; D397-L1164 PolarHBondContact OD2-N 3.5Å; S398-L1164 WeakPolarHBondContact OG-CD2 3.49Å; F401-L1164 HydrophobicContact CB-CD2 4.41Å; F1099-L1164 HydrophobicContact CD1-CD1 4.04Å; F1099-L1164 HydrophobicContact CD2-CD1 4.45Å; F1099-L1164 HydrophobicContact CE1-CD1 3.78Å; F1099-L1164 HydrophobicContact CE2-CD1 4.21Å; F1099-L1164 HydrophobicContact CG-CD1 4.37Å; F1099-L1164 HydrophobicContact CZ-CD1 3.86Å; F1102-L1164 HydrophobicContact CD1-CD1 4.07Å; F1102-L1164 HydrophobicContact CD1-CD2 3.76Å; F1102-L1164 HydrophobicContact CD1-CG 3.88Å; F1102-L1164 HydrophobicContact CD2-CD2 3.99Å; F1102-L1164 HydrophobicContact CE1-CD2 3.45Å; F1102-L1164 VanDerWaalsContact CE1-CD2 3.45Å; F1102-L1164 HydrophobicContact CE1-CG 3.87Å; F1102-L1164 HydrophobicContact CE2-CD2 3.71Å; F1102-L1164 HydrophobicContact CG-CD1 4.19Å; F1102-L1164 HydrophobicContact CG-CD2 4.03Å; F1102-L1164 HydrophobicContact CG-CG 4.38Å; F1102-L1164 HydrophobicContact CZ-CD2 3.43Å; F1102-L1164 VanDerWaalsContact CZ-CD2 3.43Å; F1102-L1164 HydrophobicContact CZ-CG 4.36Å; L1164-S1166 PolarHBondContact O-N 2.81Å; L1164-T1169 VanDerWaalsContact O-CB 3.24Å; L1164-T1169 WeakPolarHBondContact O-CB 3.27Å; L1164-T1169 WeakPolarHBondContact O-CG2 3.4Å; L1164-T1169 PolarHBondContact O-OG1 2.8Å |
| 1165 | V | 73.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.1 | 48.5 | 177.4 | -161.8 | 0 | 0 | 0 | 0 | 111 | D397 R400 R1163 L1170 | D397-V1165 HydrophobicContact CB-CG2 4.14Å; R400-V1165 HydrophobicContact CB-CG2 4.42Å; R1163-V1165 VanDerWaalsContact C-N 3.31Å; V1165-L1170 HydrophobicContact CG1-CD1 3.84Å |
| 1166 | S | 77.6 | Confident | 82.5 | Confident | 38 Ų | 38 | 45 Ų | 45 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | trans | -86.3 | 147 | 169.5 | 97.3 | 0 | 0 | 0 | 0 | 110.4 | R1163 L1164 V1168 T1169 L1170 | R1163-S1166 PolarHBondContact O-N 2.86Å; L1164-S1166 PolarHBondContact O-N 2.81Å; S1166-V1168 PolarHBondContact O-N 3.16Å; S1166-V1168 PolarHBondContact OG-N 2.82Å; S1166-T1169 PolarHBondContact O-N 2.7Å; S1166-T1169 VanDerWaalsContact O-N 3.12Å; S1166-T1169 PolarHBondContact OG-N 3.46Å; S1166-T1169 PolarHBondContact OG-OG1 3.49Å; S1166-L1170 WeakPolarHBondContact O-CB 3.28Å; S1166-L1170 WeakPolarHBondContact O-CG 3.22Å; S1166-L1170 PolarHBondContact O-N 2.71Å | ||
| 1167 | T | 79.4 | Confident | 82.8 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 177.8 | -48.6 | 0 | 0 | 0 | 0 | 112.4 | L1171 I1315 Q1319 | T1167-L1171 WeakPolarHBondContact O-CB 3.21Å; T1167-L1171 PolarHBondContact O-N 3.46Å; T1167-I1315 HydrophobicContact CG2-CG2 4.44Å; T1167-Q1319 PolarHBondContact OG1-NE2 3.28Å |
| 1168 | V | 80.7 | Confident | 83.1 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 19% | 0.194 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.4 | -40.8 | 177.2 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | S1166 S1172 V1306 R1312 | S1166-V1168 PolarHBondContact O-N 3.16Å; S1166-V1168 PolarHBondContact OG-N 2.82Å; V1168-S1172 WeakPolarHBondContact O-CB 3.1Å; V1168-S1172 PolarHBondContact O-N 2.81Å; V1168-V1306 HydrophobicContact CG1-CG1 4.09Å; V1168-R1312 HydrophobicContact CG1-CG 4.33Å; V1168-R1312 HydrophobicContact CG2-CG 4.06Å |
| 1169 | T | 81.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 175.5 | -44.9 | 0 | 0 | 0 | 0 | 110.9 | K1103 L1164 S1166 L1173 | K1103-T1169 HydrophobicContact CG-CG2 4.26Å; L1164-T1169 VanDerWaalsContact O-CB 3.24Å; L1164-T1169 WeakPolarHBondContact O-CB 3.27Å; L1164-T1169 WeakPolarHBondContact O-CG2 3.4Å; L1164-T1169 PolarHBondContact O-OG1 2.8Å; S1166-T1169 PolarHBondContact O-N 2.7Å; S1166-T1169 VanDerWaalsContact O-N 3.12Å; S1166-T1169 PolarHBondContact OG-N 3.46Å; S1166-T1169 PolarHBondContact OG-OG1 3.49Å; T1169-L1173 WeakPolarHBondContact O-CB 3.4Å; T1169-L1173 PolarHBondContact O-N 2.82Å |
| 1170 | L | 83.9 | Confident | 84.3 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -45.1 | -178.8 | -74.1 | 167 | 0 | 0 | 0 | 112.3 | F401 V1165 S1166 G1174 | F401-L1170 HydrophobicContact CD2-CD2 4.43Å; F401-L1170 HydrophobicContact CE2-CD2 3.78Å; V1165-L1170 HydrophobicContact CG1-CD1 3.84Å; S1166-L1170 WeakPolarHBondContact O-CB 3.28Å; S1166-L1170 WeakPolarHBondContact O-CG 3.22Å; S1166-L1170 PolarHBondContact O-N 2.71Å; L1170-G1174 PolarHBondContact O-N 2.9Å |
| 1171 | L | 86.8 | Confident | 84.7 | Confident | 59 Ų | 59 | 41.1 Ų | 41.1 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -69.8 | -42 | -178.7 | -177.1 | 64.2 | 0 | 0 | 0 | 111.7 | T1167 L1175 F1311 I1315 | T1167-L1171 WeakPolarHBondContact O-CB 3.21Å; T1167-L1171 PolarHBondContact O-N 3.46Å; L1171-L1175 HydrophobicContact CD1-CD1 3.85Å; L1171-L1175 HydrophobicContact CD1-CG 3.93Å; L1171-L1175 HydrophobicContact CG-CD1 3.79Å; L1171-L1175 HydrophobicContact CG-CG 4.28Å; L1171-L1175 VanDerWaalsContact O-CB 3.29Å; L1171-L1175 WeakPolarHBondContact O-CB 3.46Å; L1171-L1175 WeakPolarHBondContact O-CG 3.46Å; L1171-L1175 PolarHBondContact O-N 2.81Å; L1171-F1311 HydrophobicContact CD2-CE1 3.92Å; L1171-F1311 HydrophobicContact CD2-CZ 3.91Å; L1171-I1315 HydrophobicContact CD2-CD1 3.44Å; L1171-I1315 VanDerWaalsContact CD2-CD1 3.44Å |
| 1172 | S | 88.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.1 | -57.3 | 171.6 | 156.3 | 0 | 0 | 0 | 0 | 111 | K1103 V1168 G1174 L1175 Q1176 E1303 | K1103-S1172 VanDerWaalsContact NZ-CB 3.34Å; K1103-S1172 PolarHBondContact NZ-OG 3.41Å; V1168-S1172 WeakPolarHBondContact O-CB 3.1Å; V1168-S1172 PolarHBondContact O-N 2.81Å; S1172-G1174 PolarHBondContact O-N 3.09Å; S1172-L1175 PolarHBondContact O-N 3.39Å; S1172-Q1176 WeakPolarHBondContact O-CG 3.38Å; S1172-Q1176 PolarHBondContact O-N 3.23Å; S1172-E1303 VanDerWaalsContact CB-OE2 3.26Å; S1172-E1303 WeakPolarHBondContact CB-OE2 3.41Å; S1172-E1303 VanDerWaalsContact OG-CD 3.25Å; S1172-E1303 PolarHBondContact OG-OE1 2.74Å; S1172-E1303 PolarHBondContact OG-OE2 2.78Å |
| 1173 | L | 88.2 | Confident | 86.8 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.8 | -47.6 | -177.6 | -175.6 | 76 | 0 | 0 | 0 | 111.1 | F401 V1106 T1169 L1175 Q1176 L1177 F1232 | F401-L1173 HydrophobicContact CE1-CD2 4.45Å; F401-L1173 HydrophobicContact CE2-CD2 4.43Å; F401-L1173 HydrophobicContact CZ-CD2 3.6Å; V1106-L1173 HydrophobicContact CB-CD2 4.37Å; V1106-L1173 HydrophobicContact CG1-CD2 3.64Å; T1169-L1173 WeakPolarHBondContact O-CB 3.4Å; T1169-L1173 PolarHBondContact O-N 2.82Å; L1173-L1175 VanDerWaalsContact C-N 3.35Å; L1173-L1175 PolarHBondContact O-N 2.8Å; L1173-Q1176 PolarHBondContact O-N 3.03Å; L1173-L1177 HydrophobicContact CD1-CD1 4.41Å; L1173-L1177 HydrophobicContact CD1-CG 4.47Å; L1173-L1177 HydrophobicContact CD2-CD1 4.3Å; L1173-L1177 HydrophobicContact CG-CD1 3.92Å; L1173-L1177 HydrophobicContact CG-CG 4.29Å; L1173-L1177 WeakPolarHBondContact O-CB 3.31Å; L1173-L1177 VanDerWaalsContact O-CG 3.31Å; L1173-L1177 WeakPolarHBondContact O-CG 3.38Å; L1173-L1177 PolarHBondContact O-N 2.98Å; L1173-F1232 HydrophobicContact CD1-CE2 4.14Å; L1173-F1232 HydrophobicContact CD1-CZ 4Å |
| 1174 | G | 89.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 38% | 0.381 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.3 | -38.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1170 S1172 L1178 | L1170-G1174 PolarHBondContact O-N 2.9Å; S1172-G1174 PolarHBondContact O-N 3.09Å; G1174-L1178 VanDerWaalsContact O-CB 3.26Å; G1174-L1178 WeakPolarHBondContact O-CB 3.49Å; G1174-L1178 PolarHBondContact O-N 2.61Å |
| 1175 | L | 92.1 | Very high | 88.7 | Confident | 50 Ų | 50 | 39.2 Ų | 39.2 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 175.4 | -72.6 | 172 | 0 | 0 | 0 | 112.4 | L1171 S1172 L1173 T1179 L1302 V1306 | L1171-L1175 HydrophobicContact CD1-CD1 3.85Å; L1171-L1175 HydrophobicContact CD1-CG 3.93Å; L1171-L1175 HydrophobicContact CG-CD1 3.79Å; L1171-L1175 HydrophobicContact CG-CG 4.28Å; L1171-L1175 VanDerWaalsContact O-CB 3.29Å; L1171-L1175 WeakPolarHBondContact O-CB 3.46Å; L1171-L1175 WeakPolarHBondContact O-CG 3.46Å; L1171-L1175 PolarHBondContact O-N 2.81Å; S1172-L1175 PolarHBondContact O-N 3.39Å; L1173-L1175 VanDerWaalsContact C-N 3.35Å; L1173-L1175 PolarHBondContact O-N 2.8Å; L1175-T1179 WeakPolarHBondContact O-CB 3.14Å; L1175-T1179 PolarHBondContact O-N 3.11Å; L1175-T1179 PolarHBondContact O-OG1 3.16Å; L1175-L1302 HydrophobicContact CB-CD1 4.13Å; L1175-L1302 HydrophobicContact CB-CD2 3.59Å; L1175-L1302 HydrophobicContact CB-CG 4.46Å; L1175-L1302 HydrophobicContact CD1-CD1 4.49Å; L1175-L1302 HydrophobicContact CD1-CD2 4.04Å; L1175-L1302 HydrophobicContact CG-CD2 4.46Å; L1175-V1306 HydrophobicContact CD1-CG2 3.98Å |
| 1176 | Q | 93.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 175.5 | -62.2 | -63.7 | -6.9 | 0 | 0 | 111.5 | S1172 L1173 T1179 C1180 L1228 F1232 G1299 L1302 | S1172-Q1176 WeakPolarHBondContact O-CG 3.38Å; S1172-Q1176 PolarHBondContact O-N 3.23Å; L1173-Q1176 PolarHBondContact O-N 3.03Å; Q1176-T1179 PolarHBondContact O-N 2.73Å; Q1176-C1180 WeakPolarHBondContact O-CB 3.39Å; Q1176-C1180 PolarHBondContact O-N 2.98Å; Q1176-C1180 PolarHBondContact O-SG 2.92Å; Q1176-L1228 HydrophobicContact CB-CD2 4.21Å; Q1176-F1232 HydrophobicContact CB-CZ 4.28Å; Q1176-F1232 HydrophobicContact CG-CE1 4.09Å; Q1176-F1232 HydrophobicContact CG-CZ 4.09Å; Q1176-G1299 PolarHBondContact NE2-O 3.24Å; Q1176-L1302 HydrophobicContact CG-CD2 4.47Å |
| 1177 | L | 91.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.2 | -70.6 | 179 | 0 | 0 | 0 | 112.1 | G1107 M1110 I1111 L1173 T1179 C1180 G1181 | G1107-L1177 WeakPolarHBondContact O-CD2 3.39Å; M1110-L1177 HydrophobicContact CB-CD1 3.66Å; M1110-L1177 HydrophobicContact CB-CD2 3.52Å; M1110-L1177 HydrophobicContact CB-CG 4.24Å; M1110-L1177 HydrophobicContact CG-CD1 3.94Å; I1111-L1177 HydrophobicContact CD1-CD2 4.49Å; I1111-L1177 HydrophobicContact CG1-CD2 3.84Å; L1173-L1177 HydrophobicContact CD1-CD1 4.41Å; L1173-L1177 HydrophobicContact CD1-CG 4.47Å; L1173-L1177 HydrophobicContact CD2-CD1 4.3Å; L1173-L1177 HydrophobicContact CG-CD1 3.92Å; L1173-L1177 HydrophobicContact CG-CG 4.29Å; L1173-L1177 WeakPolarHBondContact O-CB 3.31Å; L1173-L1177 VanDerWaalsContact O-CG 3.31Å; L1173-L1177 WeakPolarHBondContact O-CG 3.38Å; L1173-L1177 PolarHBondContact O-N 2.98Å; L1177-T1179 VanDerWaalsContact C-N 3.34Å; L1177-T1179 PolarHBondContact O-N 2.63Å; L1177-C1180 PolarHBondContact O-N 3.43Å; L1177-G1181 PolarHBondContact O-N 3.18Å |
| 1178 | L | 92.9 | Very high | 91.2 | Very high | 111 Ų | 111 | 35.1 Ų | 35.1 | 58% | 0.581 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -59.6 | -44.7 | 173.5 | 178.8 | 63.1 | 0 | 0 | 0 | 111.4 | G1174 V1182 | G1174-L1178 VanDerWaalsContact O-CB 3.26Å; G1174-L1178 WeakPolarHBondContact O-CB 3.49Å; G1174-L1178 PolarHBondContact O-N 2.61Å; L1178-V1182 HydrophobicContact CD1-CG2 4.18Å; L1178-V1182 WeakPolarHBondContact O-CB 3.29Å; L1178-V1182 VanDerWaalsContact O-CG2 3.26Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.35Å; L1178-V1182 PolarHBondContact O-N 3.04Å |
| 1179 | T | 94.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111 | L1175 Q1176 L1177 G1181 V1182 V1183 N1295 F1298 | L1175-T1179 WeakPolarHBondContact O-CB 3.14Å; L1175-T1179 PolarHBondContact O-N 3.11Å; L1175-T1179 PolarHBondContact O-OG1 3.16Å; Q1176-T1179 PolarHBondContact O-N 2.73Å; L1177-T1179 VanDerWaalsContact C-N 3.34Å; L1177-T1179 PolarHBondContact O-N 2.63Å; T1179-G1181 PolarHBondContact O-N 2.85Å; T1179-V1182 PolarHBondContact O-N 2.99Å; T1179-V1183 WeakPolarHBondContact O-CG2 3.25Å; T1179-V1183 PolarHBondContact O-N 3.35Å; T1179-N1295 WeakPolarHBondContact CG2-OD1 3.4Å; T1179-F1298 HydrophobicContact CG2-CD1 3.64Å; T1179-F1298 HydrophobicContact CG2-CE1 3.9Å |
| 1180 | C | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -42.4 | -179.4 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | I1111 Q1176 L1177 V1183 Q1184 Q1224 | I1111-C1180 HydrophobicContact CD1-CB 3.51Å; I1111-C1180 HydrophobicContact CG1-CB 3.85Å; Q1176-C1180 WeakPolarHBondContact O-CB 3.39Å; Q1176-C1180 PolarHBondContact O-N 2.98Å; Q1176-C1180 PolarHBondContact O-SG 2.92Å; L1177-C1180 PolarHBondContact O-N 3.43Å; C1180-V1183 PolarHBondContact O-N 2.85Å; C1180-Q1184 WeakPolarHBondContact O-CG 3.44Å; C1180-Q1184 PolarHBondContact O-N 3.23Å; C1180-Q1224 HydrophobicContact CB-CG 4.39Å; C1180-Q1224 PolarHBondContact O-NE2 2.94Å |
| 1181 | G | 93.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1177 T1179 V1183 Q1184 F1185 | L1177-G1181 PolarHBondContact O-N 3.18Å; T1179-G1181 PolarHBondContact O-N 2.85Å; G1181-V1183 VanDerWaalsContact C-N 3.33Å; G1181-V1183 PolarHBondContact O-N 3.45Å; G1181-Q1184 PolarHBondContact O-N 3.02Å; G1181-F1185 WeakPolarHBondContact O-CB 3.37Å; G1181-F1185 PolarHBondContact O-N 3.49Å |
| 1182 | V | 95 | Very high | 92.8 | Very high | 80 Ų | 80 | 36.8 Ų | 36.8 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 173.3 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | L1178 T1179 S1186 | L1178-V1182 HydrophobicContact CD1-CG2 4.18Å; L1178-V1182 WeakPolarHBondContact O-CB 3.29Å; L1178-V1182 VanDerWaalsContact O-CG2 3.26Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.35Å; L1178-V1182 PolarHBondContact O-N 3.04Å; T1179-V1182 PolarHBondContact O-N 2.99Å; V1182-S1186 WeakPolarHBondContact O-CB 3.43Å; V1182-S1186 PolarHBondContact O-N 3.35Å; V1182-S1186 PolarHBondContact O-OG 2.71Å |
| 1183 | V | 95.8 | Very high | 93 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | 175.8 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | T1179 C1180 G1181 S1186 V1187 V1220 I1291 N1295 | T1179-V1183 WeakPolarHBondContact O-CG2 3.25Å; T1179-V1183 PolarHBondContact O-N 3.35Å; C1180-V1183 PolarHBondContact O-N 2.85Å; G1181-V1183 VanDerWaalsContact C-N 3.33Å; G1181-V1183 PolarHBondContact O-N 3.45Å; V1183-S1186 PolarHBondContact O-N 3.47Å; V1183-V1187 WeakPolarHBondContact O-CB 3.48Å; V1183-V1187 WeakPolarHBondContact O-CG2 3.47Å; V1183-V1187 PolarHBondContact O-N 2.87Å; V1183-V1220 HydrophobicContact CG1-CG1 4.04Å; V1183-I1291 HydrophobicContact CG1-CG2 3.75Å; V1183-N1295 HydrophobicContact CG2-CB 4.41Å |
| 1184 | Q | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 175.2 | -74.6 | 170.7 | -42 | 0 | 0 | 111.6 | I1111 S1115 L1118 C1180 G1181 S1186 V1187 F1188 S1221 | I1111-Q1184 VanDerWaalsContact CG2-NE2 3.33Å; I1111-Q1184 PolarHBondContact O-NE2 3.42Å; I1111-Q1184 VanDerWaalsContact O-NE2 3.12Å; S1115-Q1184 PolarHBondContact OG-NE2 3.07Å; L1118-Q1184 HydrophobicContact CD1-CB 3.82Å; C1180-Q1184 WeakPolarHBondContact O-CG 3.44Å; C1180-Q1184 PolarHBondContact O-N 3.23Å; G1181-Q1184 PolarHBondContact O-N 3.02Å; Q1184-S1186 VanDerWaalsContact C-N 3.33Å; Q1184-S1186 PolarHBondContact O-N 3.07Å; Q1184-V1187 PolarHBondContact O-N 3.08Å; Q1184-F1188 WeakPolarHBondContact O-CB 3.38Å; Q1184-F1188 PolarHBondContact O-N 2.88Å; Q1184-S1221 PolarHBondContact NE2-OG 3.38Å |
| 1185 | F | 94.7 | Very high | 92.9 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.8 | 179.5 | -105.6 | 0 | 0 | 0 | 111.8 | L1118 G1181 V1187 F1188 V1189 | L1118-F1185 HydrophobicContact CD2-CD2 3.86Å; G1181-F1185 WeakPolarHBondContact O-CB 3.37Å; G1181-F1185 PolarHBondContact O-N 3.49Å; F1185-V1187 PolarHBondContact O-N 3.15Å; F1185-F1188 PolarHBondContact O-N 3.04Å; F1185-V1189 HydrophobicContact CD1-CG2 4.42Å; F1185-V1189 HydrophobicContact CD2-CG2 4.4Å; F1185-V1189 HydrophobicContact CE1-CG2 3.99Å; F1185-V1189 HydrophobicContact CE2-CG2 3.98Å; F1185-V1189 HydrophobicContact CZ-CG2 3.76Å; F1185-V1189 WeakPolarHBondContact O-CG2 3.46Å; F1185-V1189 PolarHBondContact O-N 3.03Å |
| 1186 | S | 94.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 44% | 0.441 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | V1182 V1183 Q1184 F1190 | V1182-S1186 WeakPolarHBondContact O-CB 3.43Å; V1182-S1186 PolarHBondContact O-N 3.35Å; V1182-S1186 PolarHBondContact O-OG 2.71Å; V1183-S1186 PolarHBondContact O-N 3.47Å; Q1184-S1186 VanDerWaalsContact C-N 3.33Å; Q1184-S1186 PolarHBondContact O-N 3.07Å; S1186-F1190 WeakPolarHBondContact O-CB 3.47Å; S1186-F1190 PolarHBondContact O-N 3Å |
| 1187 | V | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 175.3 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | V1183 Q1184 F1185 F1190 T1191 A1216 V1220 L1288 I1291 | V1183-V1187 WeakPolarHBondContact O-CB 3.48Å; V1183-V1187 WeakPolarHBondContact O-CG2 3.47Å; V1183-V1187 PolarHBondContact O-N 2.87Å; Q1184-V1187 PolarHBondContact O-N 3.08Å; F1185-V1187 PolarHBondContact O-N 3.15Å; V1187-F1190 PolarHBondContact O-N 3.14Å; V1187-T1191 WeakPolarHBondContact O-CB 3.41Å; V1187-T1191 PolarHBondContact O-N 3.04Å; V1187-T1191 PolarHBondContact O-OG1 2.76Å; V1187-A1216 HydrophobicContact CG1-CB 4.02Å; V1187-V1220 HydrophobicContact CG1-CG2 4.06Å; V1187-V1220 HydrophobicContact CG2-CG2 4.14Å; V1187-L1288 HydrophobicContact CG1-CD1 3.68Å; V1187-L1288 HydrophobicContact CG2-CD1 4.16Å; V1187-I1291 HydrophobicContact CG2-CD1 4.15Å; V1187-I1291 HydrophobicContact CG2-CG2 4.04Å |
| 1188 | F | 93.4 | Very high | 91.7 | Very high | 12 Ų | 12 | 55 Ų | 55 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -50.2 | 174.8 | 175.5 | -90.6 | 0 | 0 | 0 | 111.3 | I1122 Q1184 F1185 T1191 R1192 E1213 V1217 | I1122-F1188 HydrophobicContact CD1-CE2 4.4Å; I1122-F1188 HydrophobicContact CG2-CE2 4.09Å; I1122-F1188 HydrophobicContact CG2-CZ 3.65Å; Q1184-F1188 WeakPolarHBondContact O-CB 3.38Å; Q1184-F1188 PolarHBondContact O-N 2.88Å; F1185-F1188 PolarHBondContact O-N 3.04Å; F1188-T1191 PolarHBondContact O-N 2.8Å; F1188-R1192 WeakPolarHBondContact O-CG 3.43Å; F1188-R1192 PolarHBondContact O-N 3Å; F1188-E1213 HydrophobicContact CD2-CB 3.93Å; F1188-E1213 HydrophobicContact CD2-CG 4.02Å; F1188-E1213 HydrophobicContact CE2-CB 3.93Å; F1188-E1213 HydrophobicContact CE2-CG 3.89Å; F1188-V1217 HydrophobicContact CB-CG2 4.2Å; F1188-V1217 HydrophobicContact CD2-CG2 4.16Å |
| 1189 | V | 93.1 | Very high | 90.8 | Very high | 55 Ų | 55 | 54 Ų | 54 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | F1185 T1191 R1192 L1193 | F1185-V1189 HydrophobicContact CD1-CG2 4.42Å; F1185-V1189 HydrophobicContact CD2-CG2 4.4Å; F1185-V1189 HydrophobicContact CE1-CG2 3.99Å; F1185-V1189 HydrophobicContact CE2-CG2 3.98Å; F1185-V1189 HydrophobicContact CZ-CG2 3.76Å; F1185-V1189 WeakPolarHBondContact O-CG2 3.46Å; F1185-V1189 PolarHBondContact O-N 3.03Å; V1189-T1191 VanDerWaalsContact C-N 3.27Å; V1189-T1191 PolarHBondContact O-N 3.29Å; V1189-R1192 WeakPolarHBondContact O-CB 3.39Å; V1189-R1192 PolarHBondContact O-N 3.06Å; V1189-L1193 HydrophobicContact CG1-CD1 4.12Å; V1189-L1193 HydrophobicContact CG1-CG 4.43Å; V1189-L1193 WeakPolarHBondContact O-CG 3.3Å; V1189-L1193 PolarHBondContact O-N 2.9Å; V1189-L1193 VanDerWaalsContact O-N 3.1Å |
| 1190 | F | 93.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.4 | -31.1 | -179.5 | -177.5 | -110.5 | 0 | 0 | 0 | 113.2 | S1186 V1187 L1193 Q1194 F1284 I1287 | S1186-F1190 WeakPolarHBondContact O-CB 3.47Å; S1186-F1190 PolarHBondContact O-N 3Å; V1187-F1190 PolarHBondContact O-N 3.14Å; F1190-L1193 PolarHBondContact O-N 3Å; F1190-Q1194 VanDerWaalsContact CZ-NE2 3.32Å; F1190-Q1194 WeakPolarHBondContact O-CG 3.41Å; F1190-Q1194 PolarHBondContact O-NE2 2.9Å; F1190-F1284 HydrophobicContact CD1-CD2 4.18Å; F1190-F1284 AromaticContact CD1-CE2 3.7Å; F1190-F1284 HydrophobicContact CD1-CE2 3.7Å; F1190-F1284 AromaticContact CE1-CD2 3.78Å; F1190-F1284 HydrophobicContact CE1-CD2 3.78Å; F1190-F1284 AromaticContact CE1-CE2 3.8Å; F1190-F1284 HydrophobicContact CE1-CE2 3.8Å; F1190-I1287 HydrophobicContact CE1-CG2 3.75Å; F1190-I1287 HydrophobicContact CZ-CD1 4.3Å; F1190-I1287 HydrophobicContact CZ-CG2 4.08Å |
| 1191 | T | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 172.1 | -55.7 | 0 | 0 | 0 | 0 | 111 | V1187 F1188 V1189 L1193 Q1194 A1216 F1284 | V1187-T1191 WeakPolarHBondContact O-CB 3.41Å; V1187-T1191 PolarHBondContact O-N 3.04Å; V1187-T1191 PolarHBondContact O-OG1 2.76Å; F1188-T1191 PolarHBondContact O-N 2.8Å; V1189-T1191 VanDerWaalsContact C-N 3.27Å; V1189-T1191 PolarHBondContact O-N 3.29Å; T1191-L1193 VanDerWaalsContact C-N 3.3Å; T1191-L1193 PolarHBondContact O-N 3.46Å; T1191-Q1194 WeakPolarHBondContact O-CB 3.47Å; T1191-Q1194 WeakPolarHBondContact O-CG 3.44Å; T1191-Q1194 PolarHBondContact O-N 2.69Å; T1191-A1216 HydrophobicContact CG2-CB 4.38Å; T1191-A1216 WeakPolarHBondContact OG1-CB 3.48Å; T1191-F1284 HydrophobicContact CG2-CZ 4.33Å; T1191-F1284 WeakPolarHBondContact OG1-CZ 3.31Å |
| 1192 | R | 90.2 | Very high | 85.2 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.9 | -21.9 | 178.5 | -66.2 | -176 | 152.9 | -151.2 | -17.3 | 114 | F1188 V1189 Q1194 Y1197 E1213 | F1188-R1192 WeakPolarHBondContact O-CG 3.43Å; F1188-R1192 PolarHBondContact O-N 3Å; V1189-R1192 WeakPolarHBondContact O-CB 3.39Å; V1189-R1192 PolarHBondContact O-N 3.06Å; R1192-Q1194 VanDerWaalsContact C-N 3.3Å; R1192-Y1197 HydrophobicContact CB-CD1 4.37Å; R1192-Y1197 HydrophobicContact CB-CE1 4.14Å; R1192-Y1197 HydrophobicContact CG-CE1 3.99Å; R1192-Y1197 HydrophobicContact CG-CE2 3.99Å; R1192-Y1197 PolarHBondContact NE-OH 3.39Å; R1192-Y1197 PolarHBondContact NH2-OH 3.19Å; R1192-E1213 HydrophobicContact CG-CG 4.36Å; R1192-E1213 IonicContact CZ-OE1 3.25Å; R1192-E1213 VanDerWaalsContact CZ-OE1 3.25Å; R1192-E1213 IonicContact NE-OE1 2.9Å; R1192-E1213 PolarHBondContact NE-OE1 3.18Å; R1192-E1213 IonicContact NH2-OE1 2.73Å; R1192-E1213 PolarHBondContact NH2-OE1 2.8Å |
| 1193 | L | 91.8 | Very high | 82.6 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.5 | 174.7 | -66.9 | 173.4 | 0 | 0 | 0 | 113.8 | V1189 F1190 T1191 | V1189-L1193 HydrophobicContact CG1-CD1 4.12Å; V1189-L1193 HydrophobicContact CG1-CG 4.43Å; V1189-L1193 WeakPolarHBondContact O-CG 3.3Å; V1189-L1193 PolarHBondContact O-N 2.9Å; V1189-L1193 VanDerWaalsContact O-N 3.1Å; F1190-L1193 PolarHBondContact O-N 3Å; T1191-L1193 VanDerWaalsContact C-N 3.3Å; T1191-L1193 PolarHBondContact O-N 3.46Å |
| 1194 | Q | 90.1 | Very high | 80.1 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 15% | 0.145 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -79.2 | 139.8 | -178.3 | -60 | -58.2 | -60.5 | 0 | 0 | 112.2 | F1190 T1191 R1192 W1196 Y1197 F1284 | F1190-Q1194 VanDerWaalsContact CZ-NE2 3.32Å; F1190-Q1194 WeakPolarHBondContact O-CG 3.41Å; F1190-Q1194 PolarHBondContact O-NE2 2.9Å; T1191-Q1194 WeakPolarHBondContact O-CB 3.47Å; T1191-Q1194 WeakPolarHBondContact O-CG 3.44Å; T1191-Q1194 PolarHBondContact O-N 2.69Å; R1192-Q1194 VanDerWaalsContact C-N 3.3Å; Q1194-W1196 HydrophobicContact CB-CD2 3.94Å; Q1194-W1196 HydrophobicContact CB-CG 4.3Å; Q1194-W1196 HydrophobicContact CB-CH2 4.36Å; Q1194-W1196 HydrophobicContact CB-CZ2 3.79Å; Q1194-W1196 HydrophobicContact CG-CH2 4.17Å; Q1194-W1196 HydrophobicContact CG-CZ2 3.56Å; Q1194-W1196 PolarHBondContact O-N 2.69Å; Q1194-Y1197 VanDerWaalsContact O-CB 3.27Å; Q1194-Y1197 WeakPolarHBondContact O-CB 3.16Å; Q1194-Y1197 PolarHBondContact O-N 2.82Å; Q1194-F1284 HydrophobicContact CG-CD2 3.84Å; Q1194-F1284 HydrophobicContact CG-CE2 3.88Å |
| 1195 | P | 86.8 | Confident | 77.8 | Confident | 131 Ų | 131 | 90.2 Ų | 90.2 | 85% | 0.851 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.9 | -178.8 | 29.8 | -36.9 | 0 | 0 | 0 | 114.5 | ||
| 1196 | W | 86.6 | Confident | 75.6 | Confident | 46 Ų | 46 | 91 Ų | 91 | 17% | 0.174 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 2 | 175.9 | 52.3 | -99.4 | 0 | 0 | 0 | 113.2 | Q1194 Y1212 F1279 P1280 F1284 | Q1194-W1196 HydrophobicContact CB-CD2 3.94Å; Q1194-W1196 HydrophobicContact CB-CG 4.3Å; Q1194-W1196 HydrophobicContact CB-CH2 4.36Å; Q1194-W1196 HydrophobicContact CB-CZ2 3.79Å; Q1194-W1196 HydrophobicContact CG-CH2 4.17Å; Q1194-W1196 HydrophobicContact CG-CZ2 3.56Å; Q1194-W1196 PolarHBondContact O-N 2.69Å; W1196-Y1212 HydrophobicContact CE3-CD1 4.49Å; W1196-Y1212 HydrophobicContact CE3-CE1 4.34Å; W1196-Y1212 AromaticContact CZ3-CD1 3.73Å; W1196-Y1212 HydrophobicContact CZ3-CD1 3.73Å; W1196-Y1212 AromaticContact CZ3-CE1 3.96Å; W1196-Y1212 HydrophobicContact CZ3-CE1 3.96Å; W1196-Y1212 HydrophobicContact CZ3-CG 4.11Å; W1196-F1279 AromaticContact CH2-CD1 3.76Å; W1196-F1279 HydrophobicContact CH2-CD1 3.76Å; W1196-F1279 HydrophobicContact CH2-CE1 4.45Å; W1196-F1279 HydrophobicContact CZ3-CD1 4.27Å; W1196-P1280 HydrophobicContact CB-CG 4.19Å; W1196-P1280 HydrophobicContact CD2-CG 3.96Å; W1196-P1280 VanDerWaalsContact CE3-CD 3.46Å; W1196-P1280 HydrophobicContact CE3-CG 3.89Å; W1196-P1280 HydrophobicContact CG-CB 4.35Å; W1196-P1280 HydrophobicContact CG-CG 4.1Å; W1196-F1284 HydrophobicContact CH2-CD1 4.11Å; W1196-F1284 HydrophobicContact CH2-CD2 4.4Å; W1196-F1284 HydrophobicContact CH2-CE1 4.14Å; W1196-F1284 HydrophobicContact CH2-CE2 4.41Å; W1196-F1284 HydrophobicContact CH2-CG 4.24Å; W1196-F1284 HydrophobicContact CH2-CZ 4.29Å; W1196-F1284 HydrophobicContact CZ2-CB 3.96Å; W1196-F1284 AromaticContact CZ2-CD1 3.9Å; W1196-F1284 HydrophobicContact CZ2-CD1 3.9Å; W1196-F1284 AromaticContact CZ2-CD2 3.77Å; W1196-F1284 HydrophobicContact CZ2-CD2 3.77Å; W1196-F1284 HydrophobicContact CZ2-CE1 4.32Å; W1196-F1284 HydrophobicContact CZ2-CE2 4.19Å; W1196-F1284 AromaticContact CZ2-CG 3.6Å; W1196-F1284 HydrophobicContact CZ2-CG 3.6Å; W1196-F1284 HydrophobicContact CZ2-CZ 4.45Å |
| 1197 | Y | 85.7 | Confident | 73.6 | Confident | 38 Ų | 38 | 93.2 Ų | 93.2 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | trans | -72.6 | 136.7 | 179.2 | 170.3 | -105.1 | 0 | 0 | 0 | 111.6 | R1192 Q1194 P1199 E1213 | R1192-Y1197 HydrophobicContact CB-CD1 4.37Å; R1192-Y1197 HydrophobicContact CB-CE1 4.14Å; R1192-Y1197 HydrophobicContact CG-CE1 3.99Å; R1192-Y1197 HydrophobicContact CG-CE2 3.99Å; R1192-Y1197 PolarHBondContact NE-OH 3.39Å; R1192-Y1197 PolarHBondContact NH2-OH 3.19Å; Q1194-Y1197 VanDerWaalsContact O-CB 3.27Å; Q1194-Y1197 WeakPolarHBondContact O-CB 3.16Å; Q1194-Y1197 PolarHBondContact O-N 2.82Å; Y1197-P1199 HydrophobicContact CE1-CB 4.04Å; Y1197-P1199 WeakPolarHBondContact OH-CA 3.21Å; Y1197-E1213 HydrophobicContact CE2-CG 4.42Å; Y1197-E1213 WeakPolarHBondContact CE2-OE1 3.42Å; Y1197-E1213 WeakPolarHBondContact CE2-OE2 3.44Å; Y1197-E1213 PolarHBondContact OH-OE1 2.74Å | ||
| 1198 | L | 78.8 | Confident | 72.1 | Confident | 125 Ų | 125 | 98.9 Ų | 98.9 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | trans | -117.1 | 131.8 | 168.9 | -95.6 | 70.2 | 0 | 0 | 0 | 109.1 | ||||
| 1199 | P | 73.7 | Confident | 71.1 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 58% | 0.578 | 50% | 0.499 | S | S | * | . | trans | -76.5 | 151.6 | 177.2 | 31.9 | -35.1 | 0 | 0 | 0 | 113.2 | Y1197 F1201 | Y1197-P1199 HydrophobicContact CE1-CB 4.04Å; Y1197-P1199 WeakPolarHBondContact OH-CA 3.21Å; P1199-F1201 VanDerWaalsContact C-N 3.32Å; P1199-F1201 PolarHBondContact O-N 3.49Å | ||
| 1200 | L | 65.4 | Low | 70.5 | Confident | 50 Ų | 50 | 101.6 Ų | 101.6 | 26% | 0.262 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -80.1 | 60.4 | -174.9 | -166.3 | 89.9 | 0 | 0 | 0 | 113.8 | I1122 N1211 | I1122-L1200 WeakPolarHBondContact O-CD2 3.19Å; L1200-N1211 HydrophobicContact CD1-CB 3.62Å |
| 1201 | F | 51.3 | Low | 70.1 | Confident | 190 Ų | 190 | 98.9 Ų | 98.9 | 83% | 0.833 | 49% | 0.488 | S | S | * | . | trans | -153.1 | 123.4 | 169.1 | -83.6 | -73.5 | 0 | 0 | 0 | 111.7 | P1199 | P1199-F1201 VanDerWaalsContact C-N 3.32Å; P1199-F1201 PolarHBondContact O-N 3.49Å | ||
| 1202 | A | 46.7 | Very low | 69.9 | Low | 92 Ų | 92 | 101.4 Ų | 101.4 | 76% | 0.76 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -174 | -41.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1203 | Y | 41.8 | Very low | 69.9 | Low | 210 Ų | 210 | 97 Ų | 97 | 82% | 0.824 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -129.3 | -14.4 | -146.7 | -103.4 | -70.2 | 0 | 0 | 0 | 121.7 | ||
| 1204 | H | 41.7 | Very low | 69.8 | Low | 168 Ų | 168 | 91 Ų | 91 | 78% | 0.778 | 45% | 0.449 | S | S | * | . | trans | -148.2 | 156.8 | 175.3 | -91.9 | -78 | 0 | 0 | 0 | 112.5 | ||||
| 1205 | E | 48.2 | Very low | 69.9 | Low | 193 Ų | 193 | 89.7 Ų | 89.7 | 90% | 0.902 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -80.2 | -16.9 | -178.7 | -62.9 | 177.3 | 126.9 | 0 | 0 | 113 | ||
| 1206 | D | 47.3 | Very low | 70.2 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 69% | 0.69 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -76.1 | 130.3 | 177.4 | -56 | -57.1 | 0 | 0 | 0 | 111.7 | E1208 | D1206-E1208 PolarHBondContact O-N 2.86Š|
| 1207 | Y | 53.8 | Low | 70.6 | Confident | 111 Ų | 111 | 81.3 Ų | 81.3 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | trans | -67.8 | 94.3 | -178.7 | -64.8 | -76.9 | 0 | 0 | 0 | 112.6 | D429 R433 L1209 | D429-Y1207 WeakPolarHBondContact OD2-CE2 3.46Å; D429-Y1207 PolarHBondContact OD2-OH 2.86Å; R433-Y1207 VanDerWaalsContact NH2-CD1 3.3Å; Y1207-L1209 PolarHBondContact O-N 3.25Å | ||
| 1208 | E | 62.7 | Low | 71 | Confident | 119 Ų | 119 | 79.7 Ų | 79.7 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | trans | -65.8 | 92.1 | 172.3 | -88.3 | -146 | 111.2 | 0 | 0 | 112.5 | D1206 K1210 N1211 | D1206-E1208 PolarHBondContact O-N 2.86Å; E1208-K1210 PolarHBondContact O-N 3.41Å; E1208-K1210 VanDerWaalsContact O-N 3.14Å; E1208-K1210 IonicContact OE1-NZ 3.07Å; E1208-K1210 PolarHBondContact OE1-NZ 2.75Å; E1208-N1211 PolarHBondContact O-ND2 3.08Å; E1208-N1211 VanDerWaalsContact O-ND2 3.14Å | ||
| 1209 | L | 72.1 | Confident | 71.6 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | trans | -52.3 | -28.7 | 167.6 | -67 | 167.1 | 0 | 0 | 0 | 112.8 | N1125 Y1207 N1211 | N1125-L1209 HydrophobicContact CB-CD2 4.03Å; Y1207-L1209 PolarHBondContact O-N 3.25Å; L1209-N1211 PolarHBondContact O-N 3.45Å; L1209-N1211 PolarHBondContact O-ND2 3.11Å | ||
| 1210 | K | 80.2 | Confident | 72.6 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | trans | -82.8 | 85.8 | -177.1 | -177 | -178.7 | 99.5 | -53.7 | 0 | 112.4 | E1208 E1275 | E1208-K1210 PolarHBondContact O-N 3.41Å; E1208-K1210 VanDerWaalsContact O-N 3.14Å; E1208-K1210 IonicContact OE1-NZ 3.07Å; E1208-K1210 PolarHBondContact OE1-NZ 2.75Å; K1210-E1275 HydrophobicContact CB-CB 4.22Å; K1210-E1275 VanDerWaalsContact CG-O 3.29Å; K1210-E1275 WeakPolarHBondContact CG-O 3.46Å | ||
| 1211 | N | 85.8 | Confident | 74 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | trans | -136.8 | 170.2 | 176.1 | 57.1 | 67 | 0 | 0 | 0 | 113.6 | S1124 L1200 E1208 L1209 S1214 T1215 | S1124-N1211 PolarHBondContact OG-ND2 3.02Å; L1200-N1211 HydrophobicContact CD1-CB 3.62Å; E1208-N1211 PolarHBondContact O-ND2 3.08Å; E1208-N1211 VanDerWaalsContact O-ND2 3.14Å; L1209-N1211 PolarHBondContact O-N 3.45Å; L1209-N1211 PolarHBondContact O-ND2 3.11Å; N1211-S1214 WeakPolarHBondContact OD1-CB 3.4Å; N1211-S1214 PolarHBondContact OD1-N 3.01Å; N1211-T1215 WeakPolarHBondContact O-CB 3.16Å; N1211-T1215 PolarHBondContact O-N 3.06Å; N1211-T1215 PolarHBondContact O-OG1 3.47Å | ||
| 1212 | Y | 88.3 | Confident | 76.1 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | -173.7 | -71.4 | -69.3 | 0 | 0 | 0 | 112.5 | W1196 A1216 C1277 F1279 | W1196-Y1212 HydrophobicContact CE3-CD1 4.49Å; W1196-Y1212 HydrophobicContact CE3-CE1 4.34Å; W1196-Y1212 AromaticContact CZ3-CD1 3.73Å; W1196-Y1212 HydrophobicContact CZ3-CD1 3.73Å; W1196-Y1212 AromaticContact CZ3-CE1 3.96Å; W1196-Y1212 HydrophobicContact CZ3-CE1 3.96Å; W1196-Y1212 HydrophobicContact CZ3-CG 4.11Å; Y1212-A1216 WeakPolarHBondContact O-CB 3.3Å; Y1212-A1216 PolarHBondContact O-N 2.84Å; Y1212-C1277 HydrophobicContact CD1-CB 3.63Å; Y1212-C1277 HydrophobicContact CE1-CB 3.76Å; Y1212-C1277 HydrophobicContact CG-CB 4.29Å; Y1212-F1279 HydrophobicContact CD1-CD1 4.32Å; Y1212-F1279 HydrophobicContact CD1-CE1 4.49Å |
| 1213 | E | 89.7 | Confident | 78.4 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -50.5 | 176.3 | -62.8 | 96.2 | 134.9 | 0 | 0 | 111.7 | L1119 I1122 F1188 R1192 Y1197 T1215 A1216 V1217 | L1119-E1213 HydrophobicContact CD2-CB 4.33Å; I1122-E1213 HydrophobicContact CD1-CB 3.85Å; I1122-E1213 HydrophobicContact CD1-CG 4.1Å; F1188-E1213 HydrophobicContact CD2-CB 3.93Å; F1188-E1213 HydrophobicContact CD2-CG 4.02Å; F1188-E1213 HydrophobicContact CE2-CB 3.93Å; F1188-E1213 HydrophobicContact CE2-CG 3.89Å; R1192-E1213 HydrophobicContact CG-CG 4.36Å; R1192-E1213 IonicContact CZ-OE1 3.25Å; R1192-E1213 VanDerWaalsContact CZ-OE1 3.25Å; R1192-E1213 IonicContact NE-OE1 2.9Å; R1192-E1213 PolarHBondContact NE-OE1 3.18Å; R1192-E1213 IonicContact NH2-OE1 2.73Å; R1192-E1213 PolarHBondContact NH2-OE1 2.8Å; Y1197-E1213 HydrophobicContact CE2-CG 4.42Å; Y1197-E1213 WeakPolarHBondContact CE2-OE1 3.42Å; Y1197-E1213 WeakPolarHBondContact CE2-OE2 3.44Å; Y1197-E1213 PolarHBondContact OH-OE1 2.74Å; E1213-T1215 VanDerWaalsContact C-N 3.32Å; E1213-T1215 PolarHBondContact O-N 2.68Å; E1213-A1216 PolarHBondContact O-N 2.99Å; E1213-A1216 VanDerWaalsContact O-N 3.14Å; E1213-V1217 WeakPolarHBondContact O-CB 3.47Å; E1213-V1217 WeakPolarHBondContact O-CG2 3.47Å; E1213-V1217 PolarHBondContact O-N 3.12Å |
| 1214 | S | 89.9 | Confident | 81 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.7 | -48 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | N1211 A1216 V1217 F1218 | N1211-S1214 WeakPolarHBondContact OD1-CB 3.4Å; N1211-S1214 PolarHBondContact OD1-N 3.01Å; S1214-A1216 VanDerWaalsContact C-N 3.34Å; S1214-A1216 PolarHBondContact O-N 2.86Å; S1214-V1217 PolarHBondContact O-N 2.79Å; S1214-F1218 WeakPolarHBondContact O-CB 3.34Å; S1214-F1218 PolarHBondContact O-N 3.11Å |
| 1215 | T | 91.8 | Very high | 83.5 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 176 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | N1211 E1213 S1219 L1276 C1277 F1279 | N1211-T1215 WeakPolarHBondContact O-CB 3.16Å; N1211-T1215 PolarHBondContact O-N 3.06Å; N1211-T1215 PolarHBondContact O-OG1 3.47Å; E1213-T1215 VanDerWaalsContact C-N 3.32Å; E1213-T1215 PolarHBondContact O-N 2.68Å; T1215-S1219 WeakPolarHBondContact O-CB 3.43Å; T1215-S1219 PolarHBondContact O-N 2.67Å; T1215-S1219 VanDerWaalsContact O-N 3.09Å; T1215-S1219 PolarHBondContact O-OG 3.1Å; T1215-L1276 HydrophobicContact CG2-CB 4.24Å; T1215-L1276 HydrophobicContact CG2-CD2 3.99Å; T1215-C1277 WeakPolarHBondContact OG1-CB 3.37Å; T1215-C1277 PolarHBondContact OG1-N 3.28Å; T1215-F1279 HydrophobicContact CG2-CE1 4.17Å; T1215-F1279 HydrophobicContact CG2-CE2 3.85Å; T1215-F1279 HydrophobicContact CG2-CZ 3.5Å |
| 1216 | A | 92.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.6 | -44.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1187 T1191 Y1212 E1213 S1214 S1219 V1220 F1279 | V1187-A1216 HydrophobicContact CG1-CB 4.02Å; T1191-A1216 HydrophobicContact CG2-CB 4.38Å; T1191-A1216 WeakPolarHBondContact OG1-CB 3.48Å; Y1212-A1216 WeakPolarHBondContact O-CB 3.3Å; Y1212-A1216 PolarHBondContact O-N 2.84Å; E1213-A1216 PolarHBondContact O-N 2.99Å; E1213-A1216 VanDerWaalsContact O-N 3.14Å; S1214-A1216 VanDerWaalsContact C-N 3.34Å; S1214-A1216 PolarHBondContact O-N 2.86Å; A1216-S1219 PolarHBondContact O-N 2.81Å; A1216-V1220 PolarHBondContact O-N 3.15Å; A1216-V1220 VanDerWaalsContact O-N 3.13Å; A1216-F1279 HydrophobicContact CB-CE1 4.29Å; A1216-F1279 HydrophobicContact CB-CZ 4.08Å |
| 1217 | V | 93.9 | Very high | 88 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | F1188 E1213 S1214 V1220 S1221 | F1188-V1217 HydrophobicContact CB-CG2 4.2Å; F1188-V1217 HydrophobicContact CD2-CG2 4.16Å; E1213-V1217 WeakPolarHBondContact O-CB 3.47Å; E1213-V1217 WeakPolarHBondContact O-CG2 3.47Å; E1213-V1217 PolarHBondContact O-N 3.12Å; S1214-V1217 PolarHBondContact O-N 2.79Å; V1217-V1220 PolarHBondContact O-N 2.7Å; V1217-S1221 VanDerWaalsContact O-CB 3.27Å; V1217-S1221 WeakPolarHBondContact O-CB 3.48Å; V1217-S1221 PolarHBondContact O-N 2.91Å; V1217-S1221 PolarHBondContact O-OG 3.15Å |
| 1218 | F | 94 | Very high | 89.9 | Confident | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54.7 | -54.7 | 172.5 | 170.1 | -102.9 | 0 | 0 | 0 | 111.1 | Q1130 F1133 I1134 S1214 V1220 S1221 V1222 F1274 L1276 | Q1130-F1218 HydrophobicContact CB-CD2 3.73Å; Q1130-F1218 HydrophobicContact CB-CE2 3.51Å; Q1130-F1218 HydrophobicContact CB-CZ 4.23Å; Q1130-F1218 HydrophobicContact CG-CD1 4.48Å; Q1130-F1218 HydrophobicContact CG-CD2 3.78Å; Q1130-F1218 HydrophobicContact CG-CE1 4.37Å; Q1130-F1218 HydrophobicContact CG-CE2 3.66Å; Q1130-F1218 HydrophobicContact CG-CG 4.2Å; Q1130-F1218 HydrophobicContact CG-CZ 3.97Å; F1133-F1218 HydrophobicContact CD1-CZ 4.05Å; I1134-F1218 HydrophobicContact CD1-CD2 4.06Å; I1134-F1218 HydrophobicContact CD1-CE2 3.96Å; I1134-F1218 HydrophobicContact CG1-CE2 4.1Å; S1214-F1218 WeakPolarHBondContact O-CB 3.34Å; S1214-F1218 PolarHBondContact O-N 3.11Å; F1218-V1220 VanDerWaalsContact C-N 3.31Å; F1218-V1220 PolarHBondContact O-N 2.79Å; F1218-S1221 PolarHBondContact O-N 2.79Å; F1218-S1221 VanDerWaalsContact O-N 3.15Å; F1218-V1222 HydrophobicContact CD2-CG2 4.14Å; F1218-V1222 HydrophobicContact CE1-CG2 4.32Å; F1218-V1222 HydrophobicContact CE2-CG2 3.73Å; F1218-V1222 HydrophobicContact CZ-CG2 3.83Å; F1218-V1222 WeakPolarHBondContact O-CG2 3.4Å; F1218-V1222 PolarHBondContact O-N 2.96Å; F1218-F1274 HydrophobicContact CE1-CD1 4.44Å; F1218-F1274 HydrophobicContact CZ-CD1 4.09Å; F1218-F1274 HydrophobicContact CZ-CE1 4.23Å; F1218-L1276 HydrophobicContact CD1-CD2 3.77Å; F1218-L1276 HydrophobicContact CE1-CD2 4.08Å |
| 1219 | S | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 11.2 Ų | 11.2 | 3% | 0.028 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.9 | -46.6 | -177 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | T1215 A1216 Y1223 | T1215-S1219 WeakPolarHBondContact O-CB 3.43Å; T1215-S1219 PolarHBondContact O-N 2.67Å; T1215-S1219 VanDerWaalsContact O-N 3.09Å; T1215-S1219 PolarHBondContact O-OG 3.1Å; A1216-S1219 PolarHBondContact O-N 2.81Å; S1219-Y1223 WeakPolarHBondContact O-CD2 3.46Å; S1219-Y1223 WeakPolarHBondContact O-CE2 3.34Å |
| 1220 | V | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -72.4 | -37.5 | -180 | 171 | 0 | 0 | 0 | 0 | 112.4 | V1183 V1187 A1216 V1217 F1218 V1222 Y1223 Q1224 L1288 V1292 | V1183-V1220 HydrophobicContact CG1-CG1 4.04Å; V1187-V1220 HydrophobicContact CG1-CG2 4.06Å; V1187-V1220 HydrophobicContact CG2-CG2 4.14Å; A1216-V1220 PolarHBondContact O-N 3.15Å; A1216-V1220 VanDerWaalsContact O-N 3.13Å; V1217-V1220 PolarHBondContact O-N 2.7Å; F1218-V1220 VanDerWaalsContact C-N 3.31Å; F1218-V1220 PolarHBondContact O-N 2.79Å; V1220-V1222 VanDerWaalsContact C-N 3.34Å; V1220-V1222 PolarHBondContact O-N 2.88Å; V1220-Y1223 PolarHBondContact O-N 2.87Å; V1220-Q1224 HydrophobicContact CG1-CG 4.32Å; V1220-Q1224 WeakPolarHBondContact O-CG 3.44Å; V1220-Q1224 PolarHBondContact O-N 3.41Å; V1220-L1288 HydrophobicContact CG2-CD1 3.55Å; V1220-L1288 HydrophobicContact CG2-CD2 4.36Å; V1220-L1288 HydrophobicContact CG2-CG 3.87Å; V1220-V1292 HydrophobicContact CG2-CG2 4.23Å |
| 1221 | S | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.007 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | S1115 Q1184 V1217 F1218 Y1223 Q1224 Y1225 | S1115-S1221 PolarHBondContact OG-OG 2.94Å; Q1184-S1221 PolarHBondContact NE2-OG 3.38Å; V1217-S1221 VanDerWaalsContact O-CB 3.27Å; V1217-S1221 WeakPolarHBondContact O-CB 3.48Å; V1217-S1221 PolarHBondContact O-N 2.91Å; V1217-S1221 PolarHBondContact O-OG 3.15Å; F1218-S1221 PolarHBondContact O-N 2.79Å; F1218-S1221 VanDerWaalsContact O-N 3.15Å; S1221-Y1223 VanDerWaalsContact C-N 3.34Å; S1221-Y1223 PolarHBondContact O-N 2.9Å; S1221-Q1224 WeakPolarHBondContact O-CA 3.48Å; S1221-Q1224 WeakPolarHBondContact O-CB 3.44Å; S1221-Q1224 PolarHBondContact O-N 2.95Å; S1221-Y1225 WeakPolarHBondContact O-CD2 3.48Å; S1221-Y1225 WeakPolarHBondContact O-CE2 3.48Å; S1221-Y1225 VanDerWaalsContact O-CG 3.23Å; S1221-Y1225 PolarHBondContact O-N 3.46Å |
| 1222 | V | 94.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 7 Ų | 7 | 2% | 0.018 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F1133 I1134 V1138 F1218 V1220 Y1225 I1226 S1259 | F1133-V1222 HydrophobicContact CE1-CG1 4.09Å; F1133-V1222 HydrophobicContact CE1-CG2 4.43Å; I1134-V1222 HydrophobicContact CG1-CG2 4.22Å; V1138-V1222 HydrophobicContact CG2-CG1 4.45Å; F1218-V1222 HydrophobicContact CD2-CG2 4.14Å; F1218-V1222 HydrophobicContact CE1-CG2 4.32Å; F1218-V1222 HydrophobicContact CE2-CG2 3.73Å; F1218-V1222 HydrophobicContact CZ-CG2 3.83Å; F1218-V1222 WeakPolarHBondContact O-CG2 3.4Å; F1218-V1222 PolarHBondContact O-N 2.96Å; V1220-V1222 VanDerWaalsContact C-N 3.34Å; V1220-V1222 PolarHBondContact O-N 2.88Å; V1222-Y1225 PolarHBondContact O-N 2.99Å; V1222-I1226 WeakPolarHBondContact O-CG1 3.44Å; V1222-I1226 PolarHBondContact O-N 2.84Å; V1222-S1259 VanDerWaalsContact CG1-OG 3.24Å; V1222-S1259 WeakPolarHBondContact CG1-OG 3.31Å |
| 1223 | Y | 94.8 | Very high | 93 | Very high | 15 Ų | 15 | 4.9 Ų | 4.9 | 6% | 0.059 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -66.1 | -37.2 | 173 | -64.6 | -74.5 | 0 | 0 | 0 | 112.7 | S1219 V1220 S1221 Y1225 I1226 I1227 S1259 L1260 T1263 H1289 V1292 | S1219-Y1223 WeakPolarHBondContact O-CD2 3.46Å; S1219-Y1223 WeakPolarHBondContact O-CE2 3.34Å; V1220-Y1223 PolarHBondContact O-N 2.87Å; S1221-Y1223 VanDerWaalsContact C-N 3.34Å; S1221-Y1223 PolarHBondContact O-N 2.9Å; Y1223-Y1225 VanDerWaalsContact C-N 3.3Å; Y1223-Y1225 PolarHBondContact O-N 3.14Å; Y1223-I1226 WeakPolarHBondContact O-CB 3.29Å; Y1223-I1226 PolarHBondContact O-N 2.58Å; Y1223-I1226 VanDerWaalsContact O-N 3.14Å; Y1223-I1227 VanDerWaalsContact O-CG1 3.24Å; Y1223-I1227 WeakPolarHBondContact O-CG1 3.45Å; Y1223-I1227 PolarHBondContact O-N 3.17Å; Y1223-S1259 PolarHBondContact OH-O 3.42Å; Y1223-S1259 VanDerWaalsContact OH-O 3.07Å; Y1223-L1260 VanDerWaalsContact OH-CA 3.29Å; Y1223-L1260 WeakPolarHBondContact OH-CA 3.44Å; Y1223-L1260 PolarHBondContact OH-N 3.27Å; Y1223-T1263 HydrophobicContact CE2-CG2 4.4Å; Y1223-T1263 VanDerWaalsContact CE2-OG1 3.31Å; Y1223-T1263 WeakPolarHBondContact CE2-OG1 3.43Å; Y1223-T1263 PolarHBondContact OH-OG1 3Å; Y1223-H1289 PolarHBondContact OH-CE1 3.09Å; Y1223-H1289 VanDerWaalsContact OH-CE1 3.29Å; Y1223-V1292 HydrophobicContact CD1-CG1 3.83Å; Y1223-V1292 HydrophobicContact CD2-CB 4.37Å; Y1223-V1292 HydrophobicContact CD2-CG1 3.95Å; Y1223-V1292 HydrophobicContact CD2-CG2 3.58Å; Y1223-V1292 HydrophobicContact CE2-CG2 4.27Å; Y1223-V1292 HydrophobicContact CG-CB 4.39Å; Y1223-V1292 HydrophobicContact CG-CG1 3.51Å; Y1223-V1292 HydrophobicContact CG-CG2 3.98Å |
| 1224 | Q | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 178.2 | -74.6 | 178.8 | -17.5 | 0 | 0 | 112.2 | I1111 C1180 V1220 S1221 I1226 I1227 L1228 N1295 | I1111-Q1224 HydrophobicContact CD1-CB 4.13Å; I1111-Q1224 HydrophobicContact CG2-CB 4.31Å; C1180-Q1224 HydrophobicContact CB-CG 4.39Å; C1180-Q1224 PolarHBondContact O-NE2 2.94Å; V1220-Q1224 HydrophobicContact CG1-CG 4.32Å; V1220-Q1224 WeakPolarHBondContact O-CG 3.44Å; V1220-Q1224 PolarHBondContact O-N 3.41Å; S1221-Q1224 WeakPolarHBondContact O-CA 3.48Å; S1221-Q1224 WeakPolarHBondContact O-CB 3.44Å; S1221-Q1224 PolarHBondContact O-N 2.95Å; Q1224-I1226 VanDerWaalsContact C-N 3.35Å; Q1224-I1226 PolarHBondContact O-N 3Å; Q1224-I1227 PolarHBondContact O-N 3.37Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.19Å; Q1224-N1295 WeakPolarHBondContact CG-ND2 3.44Å |
| 1225 | Y | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 172.8 | -52.5 | -37.8 | 0 | 0 | 0 | 112 | F1104 I1111 I1134 I1139 S1221 V1222 Y1223 L1228 A1229 | F1104-Y1225 WeakPolarHBondContact CE2-O 3.46Å; I1111-Y1225 HydrophobicContact CB-CD1 4.46Å; I1111-Y1225 HydrophobicContact CB-CE1 3.87Å; I1111-Y1225 HydrophobicContact CG2-CD1 4.14Å; I1111-Y1225 HydrophobicContact CG2-CE1 3.5Å; I1111-Y1225 VanDerWaalsContact CG2-CE1 3.5Å; I1134-Y1225 HydrophobicContact CB-CE2 4.26Å; I1134-Y1225 HydrophobicContact CD1-CE2 3.95Å; I1134-Y1225 HydrophobicContact CG1-CD2 4.49Å; I1134-Y1225 HydrophobicContact CG1-CE2 3.85Å; I1134-Y1225 HydrophobicContact CG2-CD2 3.83Å; I1134-Y1225 HydrophobicContact CG2-CE2 3.38Å; I1139-Y1225 HydrophobicContact CD1-CD1 4.46Å; I1139-Y1225 HydrophobicContact CD1-CD2 4.36Å; I1139-Y1225 HydrophobicContact CD1-CG 3.97Å; S1221-Y1225 WeakPolarHBondContact O-CD2 3.48Å; S1221-Y1225 WeakPolarHBondContact O-CE2 3.48Å; S1221-Y1225 VanDerWaalsContact O-CG 3.23Å; S1221-Y1225 PolarHBondContact O-N 3.46Å; V1222-Y1225 PolarHBondContact O-N 2.99Å; Y1223-Y1225 VanDerWaalsContact C-N 3.3Å; Y1223-Y1225 PolarHBondContact O-N 3.14Å; Y1225-L1228 PolarHBondContact O-N 3.17Å; Y1225-A1229 PolarHBondContact O-N 3.4Å; Y1225-A1229 VanDerWaalsContact O-N 3.08Å |
| 1226 | I | 94.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.6 | -61.3 | 168.5 | 0 | 0 | 0 | 110.9 | V1138 L1142 V1222 Y1223 Q1224 A1229 I1230 L1252 C1255 I1256 S1259 | V1138-I1226 HydrophobicContact CG1-CG1 4.31Å; L1142-I1226 HydrophobicContact CD1-CG1 4.25Å; V1222-I1226 WeakPolarHBondContact O-CG1 3.44Å; V1222-I1226 PolarHBondContact O-N 2.84Å; Y1223-I1226 WeakPolarHBondContact O-CB 3.29Å; Y1223-I1226 PolarHBondContact O-N 2.58Å; Y1223-I1226 VanDerWaalsContact O-N 3.14Å; Q1224-I1226 VanDerWaalsContact C-N 3.35Å; Q1224-I1226 PolarHBondContact O-N 3Å; I1226-A1229 WeakPolarHBondContact O-CB 3.44Å; I1226-A1229 PolarHBondContact O-N 3.06Å; I1226-I1230 HydrophobicContact CG2-CD1 4.35Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.25Å; I1226-I1230 PolarHBondContact O-N 3.06Å; I1226-I1230 VanDerWaalsContact O-N 3.09Å; I1226-L1252 HydrophobicContact CG2-CD2 3.44Å; I1226-L1252 VanDerWaalsContact CG2-CD2 3.44Å; I1226-C1255 HydrophobicContact CD1-CB 3.73Å; I1226-C1255 HydrophobicContact CG1-CB 4.07Å; I1226-I1256 HydrophobicContact CD1-CG1 4.33Å; I1226-I1256 HydrophobicContact CG2-CD1 4.22Å; I1226-I1256 HydrophobicContact CG2-CG1 3.84Å; I1226-S1259 WeakPolarHBondContact CD1-OG 3.3Å |
| 1227 | I | 94.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 4% | 0.041 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 176 | -69.1 | 163.6 | 0 | 0 | 0 | 110.3 | Y1223 Q1224 A1229 I1230 V1231 V1292 N1295 L1296 | Y1223-I1227 VanDerWaalsContact O-CG1 3.24Å; Y1223-I1227 WeakPolarHBondContact O-CG1 3.45Å; Y1223-I1227 PolarHBondContact O-N 3.17Å; Q1224-I1227 PolarHBondContact O-N 3.37Å; I1227-A1229 VanDerWaalsContact C-N 3.33Å; I1227-A1229 PolarHBondContact O-N 3Å; I1227-I1230 PolarHBondContact O-N 3.28Å; I1227-V1231 HydrophobicContact CG2-CG2 3.96Å; I1227-V1231 WeakPolarHBondContact O-CB 3.39Å; I1227-V1231 VanDerWaalsContact O-CG2 3.26Å; I1227-V1231 WeakPolarHBondContact O-CG2 3.37Å; I1227-V1231 PolarHBondContact O-N 3.11Å; I1227-V1292 HydrophobicContact CD1-CG1 4.48Å; I1227-N1295 HydrophobicContact CD1-CB 4.31Å; I1227-L1296 HydrophobicContact CD1-CB 4.02Å; I1227-L1296 HydrophobicContact CG1-CB 3.96Å; I1227-L1296 HydrophobicContact CG1-CD1 4.04Å; I1227-L1296 HydrophobicContact CG2-CD1 4.23Å |
| 1228 | L | 94.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -40 | 176.3 | -70 | -171.3 | 0 | 0 | 0 | 112.7 | F1104 G1107 I1111 Q1176 Q1224 Y1225 I1230 V1231 F1232 | F1104-L1228 HydrophobicContact CD2-CB 4.11Å; G1107-L1228 WeakPolarHBondContact O-CD1 3.38Å; I1111-L1228 HydrophobicContact CD1-CD1 3.54Å; I1111-L1228 HydrophobicContact CD1-CD2 4.49Å; I1111-L1228 HydrophobicContact CD1-CG 4.04Å; Q1176-L1228 HydrophobicContact CB-CD2 4.21Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.19Å; Y1225-L1228 PolarHBondContact O-N 3.17Å; L1228-I1230 VanDerWaalsContact C-N 3.31Å; L1228-I1230 PolarHBondContact O-N 2.7Å; L1228-V1231 PolarHBondContact O-N 3.41Å; L1228-F1232 HydrophobicContact CB-CD2 4.3Å; L1228-F1232 HydrophobicContact CB-CE2 4.31Å; L1228-F1232 HydrophobicContact CD1-CE2 4.42Å; L1228-F1232 HydrophobicContact CD2-CD2 4.48Å; L1228-F1232 HydrophobicContact CD2-CE2 3.78Å; L1228-F1232 HydrophobicContact CD2-CZ 4.06Å; L1228-F1232 HydrophobicContact CG-CE2 4.4Å; L1228-F1232 WeakPolarHBondContact O-CB 3.27Å; L1228-F1232 PolarHBondContact O-N 3.42Å |
| 1229 | A | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1104 L1142 Y1225 I1226 I1227 S1233 F1248 | F1104-A1229 HydrophobicContact CD2-CB 4.07Å; F1104-A1229 HydrophobicContact CE2-CB 3.76Å; F1104-A1229 HydrophobicContact CZ-CB 4.29Å; L1142-A1229 HydrophobicContact CD1-CB 4.16Å; L1142-A1229 HydrophobicContact CD2-CB 4.39Å; Y1225-A1229 PolarHBondContact O-N 3.4Å; Y1225-A1229 VanDerWaalsContact O-N 3.08Å; I1226-A1229 WeakPolarHBondContact O-CB 3.44Å; I1226-A1229 PolarHBondContact O-N 3.06Å; I1227-A1229 VanDerWaalsContact C-N 3.33Å; I1227-A1229 PolarHBondContact O-N 3Å; A1229-S1233 VanDerWaalsContact O-CB 3.24Å; A1229-S1233 WeakPolarHBondContact O-CB 3.31Å; A1229-S1233 PolarHBondContact O-N 3.07Å; A1229-S1233 PolarHBondContact O-OG 3.3Å; A1229-F1248 HydrophobicContact CB-CZ 4.31Å |
| 1230 | I | 92.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 16% | 0.164 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.9 | -56.6 | 172.8 | -62.1 | 163.8 | 0 | 0 | 0 | 110.2 | I1226 I1227 L1228 F1232 S1233 I1242 L1252 L1296 | I1226-I1230 HydrophobicContact CG2-CD1 4.35Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.25Å; I1226-I1230 PolarHBondContact O-N 3.06Å; I1226-I1230 VanDerWaalsContact O-N 3.09Å; I1227-I1230 PolarHBondContact O-N 3.28Å; L1228-I1230 VanDerWaalsContact C-N 3.31Å; L1228-I1230 PolarHBondContact O-N 2.7Å; I1230-F1232 PolarHBondContact O-N 3.18Å; I1230-S1233 PolarHBondContact O-N 3.38Å; I1230-S1233 PolarHBondContact O-OG 3.46Å; I1230-I1242 HydrophobicContact CG2-CD1 4.44Å; I1230-L1252 HydrophobicContact CD1-CD2 3.79Å; I1230-L1252 HydrophobicContact CG1-CD1 3.92Å; I1230-L1252 HydrophobicContact CG1-CD2 3.74Å; I1230-L1252 HydrophobicContact CG1-CG 4.46Å; I1230-L1296 HydrophobicContact CD1-CD1 4.02Å |
| 1231 | V | 91.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | -170.7 | 170 | 0 | 0 | 0 | 0 | 112.2 | I1227 L1228 E1303 | I1227-V1231 HydrophobicContact CG2-CG2 3.96Å; I1227-V1231 WeakPolarHBondContact O-CB 3.39Å; I1227-V1231 VanDerWaalsContact O-CG2 3.26Å; I1227-V1231 WeakPolarHBondContact O-CG2 3.37Å; I1227-V1231 PolarHBondContact O-N 3.11Å; L1228-V1231 PolarHBondContact O-N 3.41Å; V1231-E1303 HydrophobicContact CG1-CB 3.5Å; V1231-E1303 HydrophobicContact CG1-CG 3.88Å |
| 1232 | F | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -2.1 | 177.4 | -59.3 | -37.1 | 0 | 0 | 0 | 114.4 | K1103 F1104 F1146 L1173 Q1176 L1228 I1230 K1234 | K1103-F1232 HydrophobicContact CB-CB 4.31Å; K1103-F1232 HydrophobicContact CB-CD1 4.19Å; K1103-F1232 HydrophobicContact CB-CD2 3.61Å; K1103-F1232 HydrophobicContact CB-CE1 4.42Å; K1103-F1232 HydrophobicContact CB-CE2 3.84Å; K1103-F1232 HydrophobicContact CB-CG 3.79Å; K1103-F1232 HydrophobicContact CB-CZ 4.24Å; K1103-F1232 HydrophobicContact CD-CD1 3.54Å; K1103-F1232 HydrophobicContact CD-CD2 4.45Å; K1103-F1232 HydrophobicContact CD-CE1 3.72Å; K1103-F1232 HydrophobicContact CD-CG 3.94Å; K1103-F1232 HydrophobicContact CD-CZ 4.25Å; K1103-F1232 WeakPolarHBondContact O-CE2 3.47Å; F1104-F1232 HydrophobicContact CB-CD2 4.33Å; F1146-F1232 WeakPolarHBondContact CZ-O 2.99Å; L1173-F1232 HydrophobicContact CD1-CE2 4.14Å; L1173-F1232 HydrophobicContact CD1-CZ 4Å; Q1176-F1232 HydrophobicContact CB-CZ 4.28Å; Q1176-F1232 HydrophobicContact CG-CE1 4.09Å; Q1176-F1232 HydrophobicContact CG-CZ 4.09Å; L1228-F1232 HydrophobicContact CB-CD2 4.3Å; L1228-F1232 HydrophobicContact CB-CE2 4.31Å; L1228-F1232 HydrophobicContact CD1-CE2 4.42Å; L1228-F1232 HydrophobicContact CD2-CD2 4.48Å; L1228-F1232 HydrophobicContact CD2-CE2 3.78Å; L1228-F1232 HydrophobicContact CD2-CZ 4.06Å; L1228-F1232 HydrophobicContact CG-CE2 4.4Å; L1228-F1232 WeakPolarHBondContact O-CB 3.27Å; L1228-F1232 PolarHBondContact O-N 3.42Å; I1230-F1232 PolarHBondContact O-N 3.18Å; F1232-K1234 PolarHBondContact O-N 2.89Å |
| 1233 | S | 87.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | trans | -78.3 | 61.1 | 174.7 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | A1229 I1230 S1235 I1242 | A1229-S1233 VanDerWaalsContact O-CB 3.24Å; A1229-S1233 WeakPolarHBondContact O-CB 3.31Å; A1229-S1233 PolarHBondContact O-N 3.07Å; A1229-S1233 PolarHBondContact O-OG 3.3Å; I1230-S1233 PolarHBondContact O-N 3.38Å; I1230-S1233 PolarHBondContact O-OG 3.46Å; S1233-S1235 PolarHBondContact O-N 3.21Å; S1233-I1242 WeakPolarHBondContact OG-CD1 3.31Å; S1233-I1242 WeakPolarHBondContact OG-CG1 3.33Å | ||
| 1234 | K | 77 | Confident | 89.4 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | trans | -51.4 | 134.8 | 179.3 | -59.3 | -170.4 | 178.1 | -157.9 | 0 | 111.8 | T1096 F1232 R1239 E1303 D1307 | T1096-K1234 HydrophobicContact CG2-CB 4.32Å; F1232-K1234 PolarHBondContact O-N 2.89Å; K1234-R1239 WeakPolarHBondContact O-CD 3.5Å; K1234-E1303 WeakPolarHBondContact CE-OE1 3.04Å; K1234-E1303 IonicContact NZ-OE1 3.01Å; K1234-D1307 WeakPolarHBondContact CD-OD2 3.14Å; K1234-D1307 WeakPolarHBondContact CE-OD2 3.24Å; K1234-D1307 IonicContact NZ-OD1 2.65Å; K1234-D1307 PolarHBondContact NZ-OD1 3.47Å; K1234-D1307 IonicContact NZ-OD2 3.88Å; K1234-D1307 PolarHBondContact NZ-OD2 3.23Å | ||
| 1235 | S | 79.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 35 Ų | 35 | 37% | 0.371 | 20% | 0.197 | S | C | . | . | trans | -105.3 | -117.6 | -176.2 | 62.8 | 0 | 0 | 0 | 0 | 112 | S1233 Y1238 R1239 R1240 | S1233-S1235 PolarHBondContact O-N 3.21Å; S1235-Y1238 PolarHBondContact O-N 3.17Å; S1235-R1239 CarbonylContact C-O 3.42Å; S1235-R1239 PolarHBondContact O-N 3.03Å; S1235-R1239 VanDerWaalsContact O-O 3.11Å; S1235-R1240 WeakPolarHBondContact CB-O 3.33Å | ||
| 1236 | A | 80.7 | Confident | 88.9 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 144.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1152 R1239 | Y1152-A1236 HydrophobicContact CD2-CB 4.39Å; Y1152-A1236 HydrophobicContact CE2-CB 4.26Å; A1236-R1239 PolarHBondContact N-O 3.08Å |
| 1237 | P | 85.8 | Confident | 88.8 | Confident | 62 Ų | 62 | 46 Ų | 46 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93 | -1.5 | 12.6 | 37.3 | -37.6 | 0 | 0 | 0 | 115.5 | Y1152 | Y1152-P1237 VanDerWaalsContact CB-O 3.31Å; Y1152-P1237 WeakPolarHBondContact CB-O 3.48Å |
| 1238 | Y | 89.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 45.6 Ų | 45.6 | 14% | 0.137 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -37.5 | -170.6 | -52.7 | -65.7 | 0 | 0 | 0 | 113.9 | R1092 T1096 Y1152 S1156 E1158 P1159 P1160 S1235 | R1092-Y1238 HydrophobicContact CB-CD1 4.1Å; T1096-Y1238 HydrophobicContact CG2-CD2 4.17Å; T1096-Y1238 WeakPolarHBondContact OG1-CB 3.29Å; Y1152-Y1238 PolarHBondContact N-O 3.41Å; S1156-Y1238 WeakPolarHBondContact OG-CE1 3.22Å; E1158-Y1238 WeakPolarHBondContact O-CE1 3.36Å; E1158-Y1238 PolarHBondContact O-OH 2.74Å; P1159-Y1238 PolarHBondContact O-OH 2.86Å; P1160-Y1238 HydrophobicContact CB-CE1 4.37Å; P1160-Y1238 HydrophobicContact CB-CE2 4.48Å; P1160-Y1238 HydrophobicContact CG-CE1 4.39Å; S1235-Y1238 PolarHBondContact O-N 3.17Å |
| 1239 | R | 90.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 159.9 | -177.1 | -55.6 | 178.1 | 72.1 | -165.6 | 10.3 | 109.2 | T1096 T1097 F1146 T1149 K1234 S1235 A1236 | T1096-R1239 HydrophobicContact CG2-CG 4.23Å; T1097-R1239 PolarHBondContact OG1-NE 2.89Å; T1097-R1239 PolarHBondContact OG1-NH2 3.12Å; F1146-R1239 PolarHBondContact O-NH2 2.9Å; T1149-R1239 HydrophobicContact CG2-CB 4.43Å; K1234-R1239 WeakPolarHBondContact O-CD 3.5Å; S1235-R1239 CarbonylContact C-O 3.42Å; S1235-R1239 PolarHBondContact O-N 3.03Å; S1235-R1239 VanDerWaalsContact O-O 3.11Å; A1236-R1239 PolarHBondContact N-O 3.08Å |
| 1240 | R | 90.2 | Very high | 88.8 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | trans | -69.7 | 172.6 | 167.7 | -64.1 | -162.1 | -165.9 | -172.1 | 1.1 | 111.1 | T1149 P1150 A1151 S1235 S1244 | T1149-R1240 HydrophobicContact CG2-CB 4.44Å; T1149-R1240 WeakPolarHBondContact CG2-O 3.47Å; P1150-R1240 HydrophobicContact CG-CB 4.34Å; P1150-R1240 HydrophobicContact CG-CG 4.13Å; P1150-R1240 PolarHBondContact O-N 2.92Å; A1151-R1240 WeakPolarHBondContact O-CG 3.48Å; A1151-R1240 PolarHBondContact O-NE 3.35Å; S1235-R1240 WeakPolarHBondContact CB-O 3.33Å; R1240-S1244 WeakPolarHBondContact CB-OG 3.32Å | ||
| 1241 | S | 89.7 | Confident | 88.9 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | trans | -62.8 | 153.2 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | L1243 S1244 | S1241-L1243 PolarHBondContact O-N 3.07Å; S1241-S1244 WeakPolarHBondContact O-CB 3.46Å; S1241-S1244 PolarHBondContact O-N 2.99Å; S1241-S1244 PolarHBondContact O-OG 2.78Å | ||
| 1242 | I | 88.3 | Confident | 89 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -50.1 | -42.6 | 176.9 | -53.5 | 170.4 | 0 | 0 | 0 | 110.8 | I1230 S1233 S1244 N1245 F1248 V1249 | I1230-I1242 HydrophobicContact CG2-CD1 4.44Å; S1233-I1242 WeakPolarHBondContact OG-CD1 3.31Å; S1233-I1242 WeakPolarHBondContact OG-CG1 3.33Å; I1242-S1244 PolarHBondContact O-N 3.13Å; I1242-S1244 VanDerWaalsContact O-N 3.1Å; I1242-N1245 PolarHBondContact O-N 2.8Å; I1242-F1248 HydrophobicContact CG2-CD1 3.66Å; I1242-F1248 HydrophobicContact CG2-CE1 3.69Å; I1242-V1249 HydrophobicContact CG2-CG2 4.49Å |
| 1243 | L | 87.8 | Confident | 89.2 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -60.6 | -18.8 | -179.9 | -59.7 | 177.9 | 0 | 0 | 0 | 115 | S1241 N1245 V1249 | S1241-L1243 PolarHBondContact O-N 3.07Å; L1243-N1245 VanDerWaalsContact C-N 3.31Å; L1243-V1249 HydrophobicContact CD2-CG2 4.35Å |
| 1244 | S | 88.7 | Confident | 89.5 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -79.3 | -12.7 | 174.7 | 70 | 0 | 0 | 0 | 0 | 113.8 | R1240 S1241 I1242 | R1240-S1244 WeakPolarHBondContact CB-OG 3.32Å; S1241-S1244 WeakPolarHBondContact O-CB 3.46Å; S1241-S1244 PolarHBondContact O-N 2.99Å; S1241-S1244 PolarHBondContact O-OG 2.78Å; I1242-S1244 PolarHBondContact O-N 3.13Å; I1242-S1244 VanDerWaalsContact O-N 3.1Å |
| 1245 | N | 90.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | trans | -100.5 | 79 | 175.1 | -177.1 | -8.1 | 0 | 0 | 0 | 109 | T1145 Y1148 T1149 I1242 L1243 L1247 F1248 V1249 | T1145-N1245 PolarHBondContact O-ND2 2.75Å; Y1148-N1245 WeakPolarHBondContact CB-ND2 3.43Å; T1149-N1245 HydrophobicContact CG2-CB 4.4Å; T1149-N1245 PolarHBondContact N-ND2 2.83Å; T1149-N1245 WeakPolarHBondContact OG1-CB 3.41Å; T1149-N1245 PolarHBondContact OG1-ND2 3.4Å; I1242-N1245 PolarHBondContact O-N 2.8Å; L1243-N1245 VanDerWaalsContact C-N 3.31Å; N1245-L1247 PolarHBondContact O-N 3.45Å; N1245-L1247 VanDerWaalsContact O-N 3.16Å; N1245-F1248 HydrophobicContact CB-CB 4.08Å; N1245-F1248 VanDerWaalsContact ND2-CB 3.27Å; N1245-F1248 WeakPolarHBondContact ND2-CB 3.34Å; N1245-F1248 PolarHBondContact O-N 2.93Å; N1245-F1248 VanDerWaalsContact O-N 3.1Å; N1245-F1248 WeakPolarHBondContact OD1-CB 3.16Å; N1245-F1248 PolarHBondContact OD1-N 3.11Å; N1245-F1248 VanDerWaalsContact OD1-N 3.1Å; N1245-V1249 WeakPolarHBondContact O-CG2 3.44Å; N1245-V1249 PolarHBondContact O-N 3.31Å | ||
| 1246 | H | 91.3 | Very high | 91 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54.6 | -35.5 | -176.4 | -58.8 | -57.4 | 0 | 0 | 0 | 112.9 | V1249 V1250 | H1246-V1249 PolarHBondContact O-N 3.22Å; H1246-V1250 WeakPolarHBondContact O-CB 3.32Å; H1246-V1250 VanDerWaalsContact O-CG2 3.3Å; H1246-V1250 WeakPolarHBondContact O-CG2 3.36Å; H1246-V1250 PolarHBondContact O-N 2.91Å |
| 1247 | L | 91.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 56.8 Ų | 56.8 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 178.4 | -173.4 | 64.8 | 0 | 0 | 0 | 112.1 | T1145 Y1148 N1245 N1251 | T1145-L1247 HydrophobicContact CG2-CD2 3.98Å; T1145-L1247 HydrophobicContact CG2-CG 3.79Å; Y1148-L1247 HydrophobicContact CD1-CD2 4.3Å; Y1148-L1247 HydrophobicContact CD2-CD2 4.46Å; Y1148-L1247 HydrophobicContact CE1-CD2 4.24Å; Y1148-L1247 HydrophobicContact CE2-CD2 4.42Å; Y1148-L1247 HydrophobicContact CG-CD2 4.41Å; N1245-L1247 PolarHBondContact O-N 3.45Å; N1245-L1247 VanDerWaalsContact O-N 3.16Å; L1247-N1251 WeakPolarHBondContact O-CB 3.38Å; L1247-N1251 PolarHBondContact O-N 2.83Å |
| 1248 | F | 92.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 174 | -177.5 | -110.3 | 0 | 0 | 0 | 112.2 | L1142 T1145 F1146 A1229 I1242 N1245 N1251 L1252 | L1142-F1248 HydrophobicContact CD2-CE2 4.04Å; T1145-F1248 WeakPolarHBondContact OG1-CD2 3.27Å; F1146-F1248 HydrophobicContact CB-CD2 4.27Å; F1146-F1248 HydrophobicContact CB-CE2 3.92Å; F1146-F1248 HydrophobicContact CD2-CE2 4.13Å; F1146-F1248 HydrophobicContact CD2-CZ 4.05Å; A1229-F1248 HydrophobicContact CB-CZ 4.31Å; I1242-F1248 HydrophobicContact CG2-CD1 3.66Å; I1242-F1248 HydrophobicContact CG2-CE1 3.69Å; N1245-F1248 HydrophobicContact CB-CB 4.08Å; N1245-F1248 VanDerWaalsContact ND2-CB 3.27Å; N1245-F1248 WeakPolarHBondContact ND2-CB 3.34Å; N1245-F1248 PolarHBondContact O-N 2.93Å; N1245-F1248 VanDerWaalsContact O-N 3.1Å; N1245-F1248 WeakPolarHBondContact OD1-CB 3.16Å; N1245-F1248 PolarHBondContact OD1-N 3.11Å; N1245-F1248 VanDerWaalsContact OD1-N 3.1Å; F1248-N1251 PolarHBondContact O-N 3.2Å; F1248-L1252 HydrophobicContact CD1-CD1 3.93Å; F1248-L1252 HydrophobicContact CE1-CD1 3.48Å; F1248-L1252 VanDerWaalsContact CE1-CD1 3.48Å; F1248-L1252 HydrophobicContact CZ-CD1 3.89Å; F1248-L1252 WeakPolarHBondContact O-CB 3.32Å; F1248-L1252 PolarHBondContact O-N 2.83Å |
| 1249 | V | 93.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | I1242 L1243 N1245 H1246 N1251 L1252 I1253 | I1242-V1249 HydrophobicContact CG2-CG2 4.49Å; L1243-V1249 HydrophobicContact CD2-CG2 4.35Å; N1245-V1249 WeakPolarHBondContact O-CG2 3.44Å; N1245-V1249 PolarHBondContact O-N 3.31Å; H1246-V1249 PolarHBondContact O-N 3.22Å; V1249-N1251 VanDerWaalsContact C-N 3.32Å; V1249-N1251 PolarHBondContact O-N 3.3Å; V1249-L1252 WeakPolarHBondContact O-CB 3.49Å; V1249-L1252 PolarHBondContact O-N 3.15Å; V1249-I1253 HydrophobicContact CG1-CD1 3.94Å; V1249-I1253 WeakPolarHBondContact O-CG1 3.3Å; V1249-I1253 PolarHBondContact O-N 3.41Å |
| 1250 | V | 94.7 | Very high | 92.2 | Very high | 96 Ų | 96 | 57 Ų | 57 | 58% | 0.582 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 175.9 | 168 | 0 | 0 | 0 | 0 | 110.7 | H1246 I1253 A1254 | H1246-V1250 WeakPolarHBondContact O-CB 3.32Å; H1246-V1250 VanDerWaalsContact O-CG2 3.3Å; H1246-V1250 WeakPolarHBondContact O-CG2 3.36Å; H1246-V1250 PolarHBondContact O-N 2.91Å; V1250-I1253 PolarHBondContact O-N 3.05Å; V1250-A1254 WeakPolarHBondContact O-CB 3.28Å; V1250-A1254 PolarHBondContact O-N 3.46Å |
| 1251 | N | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 175.4 | -172.5 | 37.6 | 0 | 0 | 0 | 112.1 | F1141 L1142 T1145 L1247 F1248 V1249 I1253 A1254 C1255 | F1141-N1251 PolarHBondContact O-ND2 2.88Å; L1142-N1251 WeakPolarHBondContact CA-ND2 3.17Å; L1142-N1251 PolarHBondContact N-ND2 2.89Å; T1145-N1251 HydrophobicContact CG2-CB 4.39Å; T1145-N1251 PolarHBondContact OG1-ND2 3.02Å; L1247-N1251 WeakPolarHBondContact O-CB 3.38Å; L1247-N1251 PolarHBondContact O-N 2.83Å; F1248-N1251 PolarHBondContact O-N 3.2Å; V1249-N1251 VanDerWaalsContact C-N 3.32Å; V1249-N1251 PolarHBondContact O-N 3.3Å; N1251-I1253 VanDerWaalsContact C-N 3.34Å; N1251-I1253 PolarHBondContact O-N 2.77Å; N1251-A1254 WeakPolarHBondContact O-CB 3.44Å; N1251-A1254 PolarHBondContact O-N 2.7Å; N1251-A1254 VanDerWaalsContact O-N 3.14Å; N1251-C1255 PolarHBondContact O-N 2.87Å; N1251-C1255 PolarHBondContact O-SG 2.81Å |
| 1252 | L | 94.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 174.5 | -113.7 | 161.9 | 0 | 0 | 0 | 112.2 | L1142 I1226 I1230 F1248 V1249 A1254 C1255 I1256 | L1142-L1252 HydrophobicContact CD2-CG 4.3Å; I1226-L1252 HydrophobicContact CG2-CD2 3.44Å; I1226-L1252 VanDerWaalsContact CG2-CD2 3.44Å; I1230-L1252 HydrophobicContact CD1-CD2 3.79Å; I1230-L1252 HydrophobicContact CG1-CD1 3.92Å; I1230-L1252 HydrophobicContact CG1-CD2 3.74Å; I1230-L1252 HydrophobicContact CG1-CG 4.46Å; F1248-L1252 HydrophobicContact CD1-CD1 3.93Å; F1248-L1252 HydrophobicContact CE1-CD1 3.48Å; F1248-L1252 VanDerWaalsContact CE1-CD1 3.48Å; F1248-L1252 HydrophobicContact CZ-CD1 3.89Å; F1248-L1252 WeakPolarHBondContact O-CB 3.32Å; F1248-L1252 PolarHBondContact O-N 2.83Å; V1249-L1252 WeakPolarHBondContact O-CB 3.49Å; V1249-L1252 PolarHBondContact O-N 3.15Å; L1252-A1254 VanDerWaalsContact C-N 3.35Å; L1252-C1255 PolarHBondContact O-N 2.81Å; L1252-I1256 HydrophobicContact CD2-CD1 3.82Å; L1252-I1256 HydrophobicContact CD2-CG1 4.4Å; L1252-I1256 WeakPolarHBondContact O-CB 3.4Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.48Å; L1252-I1256 PolarHBondContact O-N 2.81Å |
| 1253 | I | 94.9 | Very high | 92.4 | Very high | 108 Ų | 108 | 52.5 Ų | 52.5 | 55% | 0.554 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 176.7 | -67.7 | 165.5 | 0 | 0 | 0 | 110.6 | V1249 V1250 N1251 I1256 A1257 | V1249-I1253 HydrophobicContact CG1-CD1 3.94Å; V1249-I1253 WeakPolarHBondContact O-CG1 3.3Å; V1249-I1253 PolarHBondContact O-N 3.41Å; V1250-I1253 PolarHBondContact O-N 3.05Å; N1251-I1253 VanDerWaalsContact C-N 3.34Å; N1251-I1253 PolarHBondContact O-N 2.77Å; I1253-I1256 PolarHBondContact O-N 3.33Å; I1253-A1257 VanDerWaalsContact O-CB 3.25Å; I1253-A1257 WeakPolarHBondContact O-CB 3.1Å; I1253-A1257 PolarHBondContact O-N 3Å |
| 1254 | A | 94.4 | Very high | 92.4 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1250 N1251 L1252 I1256 A1257 G1258 | V1250-A1254 WeakPolarHBondContact O-CB 3.28Å; V1250-A1254 PolarHBondContact O-N 3.46Å; N1251-A1254 WeakPolarHBondContact O-CB 3.44Å; N1251-A1254 PolarHBondContact O-N 2.7Å; N1251-A1254 VanDerWaalsContact O-N 3.14Å; L1252-A1254 VanDerWaalsContact C-N 3.35Å; A1254-I1256 PolarHBondContact O-N 2.89Å; A1254-A1257 PolarHBondContact O-N 2.84Å; A1254-G1258 PolarHBondContact O-N 2.93Å |
| 1255 | C | 94.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.8 | -64 | 0 | 0 | 0 | 0 | 111.7 | I1226 N1251 L1252 S1259 | I1226-C1255 HydrophobicContact CD1-CB 3.73Å; I1226-C1255 HydrophobicContact CG1-CB 4.07Å; N1251-C1255 PolarHBondContact O-N 2.87Å; N1251-C1255 PolarHBondContact O-SG 2.81Å; L1252-C1255 PolarHBondContact O-N 2.81Å; C1255-S1259 WeakPolarHBondContact O-CB 3.49Å; C1255-S1259 PolarHBondContact O-N 2.9Å; C1255-S1259 PolarHBondContact O-OG 3.06Å |
| 1256 | I | 94 | Very high | 91.7 | Very high | 63 Ų | 63 | 53.4 Ų | 53.4 | 32% | 0.323 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 177.7 | -71.5 | 168.7 | 0 | 0 | 0 | 110.9 | I1226 L1252 I1253 A1254 S1259 L1260 | I1226-I1256 HydrophobicContact CD1-CG1 4.33Å; I1226-I1256 HydrophobicContact CG2-CD1 4.22Å; I1226-I1256 HydrophobicContact CG2-CG1 3.84Å; L1252-I1256 HydrophobicContact CD2-CD1 3.82Å; L1252-I1256 HydrophobicContact CD2-CG1 4.4Å; L1252-I1256 WeakPolarHBondContact O-CB 3.4Å; L1252-I1256 WeakPolarHBondContact O-CG1 3.48Å; L1252-I1256 PolarHBondContact O-N 2.81Å; I1253-I1256 PolarHBondContact O-N 3.33Å; A1254-I1256 PolarHBondContact O-N 2.89Å; I1256-S1259 PolarHBondContact O-N 3.3Å; I1256-L1260 HydrophobicContact CG2-CD1 3.99Å; I1256-L1260 WeakPolarHBondContact O-CB 3.08Å; I1256-L1260 PolarHBondContact O-N 3.37Å |
| 1257 | A | 93.6 | Very high | 91.5 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 45% | 0.446 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1253 A1254 L1260 Y1261 | I1253-A1257 VanDerWaalsContact O-CB 3.25Å; I1253-A1257 WeakPolarHBondContact O-CB 3.1Å; I1253-A1257 PolarHBondContact O-N 3Å; A1254-A1257 PolarHBondContact O-N 2.84Å; A1257-L1260 PolarHBondContact O-N 2.93Å; A1257-Y1261 WeakPolarHBondContact O-CB 3.49Å; A1257-Y1261 PolarHBondContact O-N 3.13Å |
| 1258 | G | 92.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1254 Y1261 L1262 | A1254-G1258 PolarHBondContact O-N 2.93Å; G1258-Y1261 PolarHBondContact O-N 2.9Å; G1258-L1262 WeakPolarHBondContact O-CB 3.49Å; G1258-L1262 WeakPolarHBondContact O-CG 3.5Å; G1258-L1262 PolarHBondContact O-N 2.87Å |
| 1259 | S | 92.4 | Very high | 91 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 175.7 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | V1222 Y1223 I1226 C1255 I1256 Y1261 L1262 T1263 | V1222-S1259 VanDerWaalsContact CG1-OG 3.24Å; V1222-S1259 WeakPolarHBondContact CG1-OG 3.31Å; Y1223-S1259 PolarHBondContact OH-O 3.42Å; Y1223-S1259 VanDerWaalsContact OH-O 3.07Å; I1226-S1259 WeakPolarHBondContact CD1-OG 3.3Å; C1255-S1259 WeakPolarHBondContact O-CB 3.49Å; C1255-S1259 PolarHBondContact O-N 2.9Å; C1255-S1259 PolarHBondContact O-OG 3.06Å; I1256-S1259 PolarHBondContact O-N 3.3Å; S1259-Y1261 VanDerWaalsContact C-N 3.32Å; S1259-Y1261 PolarHBondContact O-N 2.67Å; S1259-L1262 PolarHBondContact O-N 2.75Å; S1259-T1263 WeakPolarHBondContact O-CB 3.38Å; S1259-T1263 PolarHBondContact O-N 2.97Å; S1259-T1263 PolarHBondContact O-OG1 3.21Å |
| 1260 | L | 92.5 | Very high | 90.7 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 175.8 | -98.3 | 156 | 0 | 0 | 0 | 111.9 | Y1223 I1256 A1257 S1264 | Y1223-L1260 VanDerWaalsContact OH-CA 3.29Å; Y1223-L1260 WeakPolarHBondContact OH-CA 3.44Å; Y1223-L1260 PolarHBondContact OH-N 3.27Å; I1256-L1260 HydrophobicContact CG2-CD1 3.99Å; I1256-L1260 WeakPolarHBondContact O-CB 3.08Å; I1256-L1260 PolarHBondContact O-N 3.37Å; A1257-L1260 PolarHBondContact O-N 2.93Å; L1260-S1264 WeakPolarHBondContact O-CB 3.2Å; L1260-S1264 PolarHBondContact O-N 2.82Å; L1260-S1264 PolarHBondContact O-OG 2.92Å |
| 1261 | Y | 92.4 | Very high | 90.3 | Very high | 107 Ų | 107 | 59.5 Ų | 59.5 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -50.9 | 175.3 | 175.6 | -101.5 | 0 | 0 | 0 | 112.3 | A1257 G1258 S1259 T1263 S1264 L1265 P1266 A1267 V1270 | A1257-Y1261 WeakPolarHBondContact O-CB 3.49Å; A1257-Y1261 PolarHBondContact O-N 3.13Å; G1258-Y1261 PolarHBondContact O-N 2.9Å; S1259-Y1261 VanDerWaalsContact C-N 3.32Å; S1259-Y1261 PolarHBondContact O-N 2.67Å; Y1261-T1263 PolarHBondContact O-N 3.46Å; Y1261-S1264 PolarHBondContact O-N 2.81Å; Y1261-L1265 PolarHBondContact O-N 3.04Å; Y1261-P1266 HydrophobicContact CE1-CB 4.37Å; Y1261-P1266 WeakPolarHBondContact O-CD 3.29Å; Y1261-A1267 VanDerWaalsContact OH-CB 3.25Å; Y1261-A1267 WeakPolarHBondContact OH-CB 2.99Å; Y1261-A1267 PolarHBondContact OH-N 2.94Å; Y1261-V1270 HydrophobicContact CE1-CG1 4.31Å; Y1261-V1270 HydrophobicContact CE1-CG2 4.3Å |
| 1262 | L | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 179 | -74.8 | 169.9 | 0 | 0 | 0 | 112.7 | F1133 G1258 S1259 P1266 V1270 F1274 L1276 | F1133-L1262 HydrophobicContact CD1-CD1 4.21Å; F1133-L1262 HydrophobicContact CE1-CD1 3.59Å; F1133-L1262 HydrophobicContact CE2-CD1 4.23Å; F1133-L1262 HydrophobicContact CZ-CD1 3.6Å; G1258-L1262 WeakPolarHBondContact O-CB 3.49Å; G1258-L1262 WeakPolarHBondContact O-CG 3.5Å; G1258-L1262 PolarHBondContact O-N 2.87Å; S1259-L1262 PolarHBondContact O-N 2.75Å; L1262-P1266 WeakPolarHBondContact O-CD 3.28Å; L1262-P1266 WeakPolarHBondContact O-CG 3.47Å; L1262-V1270 HydrophobicContact CD2-CG1 3.72Å; L1262-F1274 HydrophobicContact CD1-CE1 4.23Å; L1262-F1274 HydrophobicContact CD1-CZ 4.38Å; L1262-F1274 HydrophobicContact CD2-CD1 4.36Å; L1262-F1274 HydrophobicContact CD2-CD2 4.16Å; L1262-F1274 HydrophobicContact CD2-CE1 4.31Å; L1262-F1274 HydrophobicContact CD2-CE2 4.13Å; L1262-F1274 HydrophobicContact CD2-CG 4.29Å; L1262-F1274 HydrophobicContact CD2-CZ 4.21Å; L1262-L1276 HydrophobicContact CD2-CD1 4.28Å |
| 1263 | T | 89 | Confident | 89.6 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.043 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -72.8 | -38.8 | -178.3 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | Y1223 S1259 Y1261 L1288 | Y1223-T1263 HydrophobicContact CE2-CG2 4.4Å; Y1223-T1263 VanDerWaalsContact CE2-OG1 3.31Å; Y1223-T1263 WeakPolarHBondContact CE2-OG1 3.43Å; Y1223-T1263 PolarHBondContact OH-OG1 3Å; S1259-T1263 WeakPolarHBondContact O-CB 3.38Å; S1259-T1263 PolarHBondContact O-N 2.97Å; S1259-T1263 PolarHBondContact O-OG1 3.21Å; Y1261-T1263 PolarHBondContact O-N 3.46Å; T1263-L1288 HydrophobicContact CG2-CD2 3.89Å |
| 1264 | S | 87.7 | Confident | 89.3 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -92.3 | -59.4 | -163.8 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | L1260 Y1261 H1289 | L1260-S1264 WeakPolarHBondContact O-CB 3.2Å; L1260-S1264 PolarHBondContact O-N 2.82Å; L1260-S1264 PolarHBondContact O-OG 2.92Å; Y1261-S1264 PolarHBondContact O-N 2.81Å; S1264-H1289 PolarHBondContact OG-NE2 3.35Å |
| 1265 | L | 82 | Confident | 88.9 | Confident | 122 Ų | 122 | 68 Ų | 68 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | trans | -153.5 | 60.2 | -171.8 | -97 | 166.6 | 0 | 0 | 0 | 111.6 | Y1261 | Y1261-L1265 PolarHBondContact O-N 3.04Š| ||
| 1266 | P | 83.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | trans | -63.6 | 142.8 | 177.4 | 26.9 | -34.6 | 0 | 0 | 0 | 111.5 | Y1261 L1262 V1270 R1271 | Y1261-P1266 HydrophobicContact CE1-CB 4.37Å; Y1261-P1266 WeakPolarHBondContact O-CD 3.29Å; L1262-P1266 WeakPolarHBondContact O-CD 3.28Å; L1262-P1266 WeakPolarHBondContact O-CG 3.47Å; P1266-V1270 HydrophobicContact CB-CB 4.44Å; P1266-V1270 HydrophobicContact CB-CG1 4.33Å; P1266-R1271 HydrophobicContact CB-CB 4.43Å; P1266-R1271 HydrophobicContact CG-CB 4.21Å; P1266-R1271 HydrophobicContact CG-CG 4.39Å | ||
| 1267 | A | 87.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | trans | -60 | 152.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1261 V1269 V1270 R1271 | Y1261-A1267 VanDerWaalsContact OH-CB 3.25Å; Y1261-A1267 WeakPolarHBondContact OH-CB 2.99Å; Y1261-A1267 PolarHBondContact OH-N 2.94Å; A1267-V1269 PolarHBondContact O-N 3.44Å; A1267-V1270 HydrophobicContact CB-CG2 4.41Å; A1267-V1270 PolarHBondContact O-N 2.89Å; A1267-V1270 VanDerWaalsContact O-N 3.08Å; A1267-R1271 WeakPolarHBondContact O-CB 3.21Å; A1267-R1271 PolarHBondContact O-N 3.42Å | ||
| 1268 | R | 84.5 | Confident | 87.8 | Confident | 219 Ų | 219 | 71 Ų | 71 | 83% | 0.826 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.2 | -35.3 | -175.8 | -70.7 | -175.3 | 178.8 | -178.9 | 0 | 113.5 | K1272 | R1268-K1272 PolarHBondContact O-N 2.82Å |
| 1269 | V | 87.7 | Confident | 87.5 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 64% | 0.642 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.3 | -56.3 | 176.4 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | A1267 R1271 K1272 L1273 | A1267-V1269 PolarHBondContact O-N 3.44Å; V1269-R1271 VanDerWaalsContact C-N 3.3Å; V1269-R1271 PolarHBondContact O-N 3.16Å; V1269-K1272 PolarHBondContact O-N 2.89Å; V1269-L1273 PolarHBondContact O-N 2.84Å |
| 1270 | V | 88.6 | Confident | 87.1 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56 | -45.1 | 179 | -178.3 | 0 | 0 | 0 | 0 | 111 | Y1261 L1262 P1266 A1267 K1272 L1273 F1274 | Y1261-V1270 HydrophobicContact CE1-CG1 4.31Å; Y1261-V1270 HydrophobicContact CE1-CG2 4.3Å; L1262-V1270 HydrophobicContact CD2-CG1 3.72Å; P1266-V1270 HydrophobicContact CB-CB 4.44Å; P1266-V1270 HydrophobicContact CB-CG1 4.33Å; A1267-V1270 HydrophobicContact CB-CG2 4.41Å; A1267-V1270 PolarHBondContact O-N 2.89Å; A1267-V1270 VanDerWaalsContact O-N 3.08Å; V1270-K1272 VanDerWaalsContact C-N 3.29Å; V1270-K1272 PolarHBondContact O-N 2.97Å; V1270-L1273 PolarHBondContact O-N 3.4Å; V1270-L1273 VanDerWaalsContact O-N 3.15Å; V1270-F1274 HydrophobicContact CG1-CD2 3.7Å; V1270-F1274 HydrophobicContact CG1-CE2 3.94Å; V1270-F1274 WeakPolarHBondContact O-CD2 3.43Å; V1270-F1274 PolarHBondContact O-N 2.71Å |
| 1271 | R | 85.5 | Confident | 86.9 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 177.9 | -169 | -177.8 | 65.3 | 89.9 | 2.9 | 113.2 | P1266 A1267 V1269 E1275 L1276 | P1266-R1271 HydrophobicContact CB-CB 4.43Å; P1266-R1271 HydrophobicContact CG-CB 4.21Å; P1266-R1271 HydrophobicContact CG-CG 4.39Å; A1267-R1271 WeakPolarHBondContact O-CB 3.21Å; A1267-R1271 PolarHBondContact O-N 3.42Å; V1269-R1271 VanDerWaalsContact C-N 3.3Å; V1269-R1271 PolarHBondContact O-N 3.16Å; R1271-E1275 PolarHBondContact O-N 2.72Å; R1271-L1276 HydrophobicContact CG-CB 4.01Å; R1271-L1276 WeakPolarHBondContact CG-O 3.27Å; R1271-L1276 PolarHBondContact O-N 2.87Å |
| 1272 | K | 85.7 | Confident | 86.7 | Confident | 173 Ų | 173 | 72.3 Ų | 72.3 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -75.4 | -42.1 | 172.3 | -169.3 | -177.5 | 178.1 | -171.9 | 0 | 111.1 | R1268 V1269 V1270 E1275 | R1268-K1272 PolarHBondContact O-N 2.82Å; V1269-K1272 PolarHBondContact O-N 2.89Å; V1270-K1272 VanDerWaalsContact C-N 3.29Å; V1270-K1272 PolarHBondContact O-N 2.97Å; K1272-E1275 PolarHBondContact O-N 2.81Å |
| 1273 | L | 87.5 | Confident | 86.7 | Confident | 113 Ų | 113 | 80.3 Ų | 80.3 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | -179.8 | -126.4 | 75.2 | 0 | 0 | 0 | 112.6 | L1129 V1269 V1270 E1275 | L1129-L1273 VanDerWaalsContact CD2-C 3.44Å; L1129-L1273 HydrophobicContact CD2-CB 3.63Å; L1129-L1273 HydrophobicContact CD2-CD2 3.83Å; L1129-L1273 HydrophobicContact CD2-CG 3.81Å; L1129-L1273 VanDerWaalsContact CD2-O 3.29Å; L1129-L1273 WeakPolarHBondContact CD2-O 3.14Å; V1269-L1273 PolarHBondContact O-N 2.84Å; V1270-L1273 PolarHBondContact O-N 3.4Å; V1270-L1273 VanDerWaalsContact O-N 3.15Å; L1273-E1275 VanDerWaalsContact C-N 3.31Å |
| 1274 | F | 88.4 | Confident | 86.8 | Confident | 21 Ų | 21 | 80.1 Ų | 80.1 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 2.1 | 178.2 | -80.9 | -101.5 | 0 | 0 | 0 | 113.4 | L1129 Q1130 F1133 F1218 L1262 V1270 L1276 | L1129-F1274 HydrophobicContact CD2-CD1 4.35Å; L1129-F1274 HydrophobicContact CD2-CD2 3.42Å; L1129-F1274 VanDerWaalsContact CD2-CD2 3.42Å; L1129-F1274 HydrophobicContact CD2-CE1 4.49Å; L1129-F1274 HydrophobicContact CD2-CE2 3.58Å; L1129-F1274 HydrophobicContact CD2-CG 3.84Å; L1129-F1274 HydrophobicContact CD2-CZ 4.13Å; L1129-F1274 HydrophobicContact CG-CD1 4.27Å; L1129-F1274 HydrophobicContact CG-CD2 4.16Å; L1129-F1274 HydrophobicContact CG-CE1 4.22Å; L1129-F1274 HydrophobicContact CG-CE2 4.09Å; L1129-F1274 HydrophobicContact CG-CG 4.25Å; L1129-F1274 HydrophobicContact CG-CZ 4.13Å; Q1130-F1274 HydrophobicContact CG-CD1 4.2Å; Q1130-F1274 PolarHBondContact NE2-O 3.26Å; F1133-F1274 HydrophobicContact CB-CE1 3.55Å; F1133-F1274 HydrophobicContact CB-CZ 3.98Å; F1133-F1274 HydrophobicContact CD1-CE1 4.04Å; F1133-F1274 HydrophobicContact CD2-CE1 4.07Å; F1133-F1274 AromaticContact CD2-CZ 3.84Å; F1133-F1274 HydrophobicContact CD2-CZ 3.84Å; F1133-F1274 AromaticContact CG-CE1 3.61Å; F1133-F1274 HydrophobicContact CG-CE1 3.61Å; F1133-F1274 AromaticContact CG-CZ 3.88Å; F1133-F1274 HydrophobicContact CG-CZ 3.88Å; F1218-F1274 HydrophobicContact CE1-CD1 4.44Å; F1218-F1274 HydrophobicContact CZ-CD1 4.09Å; F1218-F1274 HydrophobicContact CZ-CE1 4.23Å; L1262-F1274 HydrophobicContact CD1-CE1 4.23Å; L1262-F1274 HydrophobicContact CD1-CZ 4.38Å; L1262-F1274 HydrophobicContact CD2-CD1 4.36Å; L1262-F1274 HydrophobicContact CD2-CD2 4.16Å; L1262-F1274 HydrophobicContact CD2-CE1 4.31Å; L1262-F1274 HydrophobicContact CD2-CE2 4.13Å; L1262-F1274 HydrophobicContact CD2-CG 4.29Å; L1262-F1274 HydrophobicContact CD2-CZ 4.21Å; V1270-F1274 HydrophobicContact CG1-CD2 3.7Å; V1270-F1274 HydrophobicContact CG1-CE2 3.94Å; V1270-F1274 WeakPolarHBondContact O-CD2 3.43Å; V1270-F1274 PolarHBondContact O-N 2.71Å; F1274-L1276 VanDerWaalsContact C-N 3.27Å; F1274-L1276 HydrophobicContact CB-CD1 3.67Å; F1274-L1276 HydrophobicContact CB-CD2 4.48Å; F1274-L1276 HydrophobicContact CB-CG 3.67Å; F1274-L1276 HydrophobicContact CG-CD1 4.39Å; F1274-L1276 PolarHBondContact O-N 3.17Å |
| 1275 | E | 87.3 | Confident | 87 | Confident | 74 Ų | 74 | 78.7 Ų | 78.7 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 39.9 | -179.3 | -54.1 | -167.7 | 133.9 | 0 | 0 | 114 | S1127 K1210 R1271 K1272 L1273 | S1127-E1275 WeakPolarHBondContact CB-OE2 3.19Å; K1210-E1275 HydrophobicContact CB-CB 4.22Å; K1210-E1275 VanDerWaalsContact CG-O 3.29Å; K1210-E1275 WeakPolarHBondContact CG-O 3.46Å; R1271-E1275 PolarHBondContact O-N 2.72Å; K1272-E1275 PolarHBondContact O-N 2.81Å; L1273-E1275 VanDerWaalsContact C-N 3.31Å |
| 1276 | L | 87.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 133.5 | -175.2 | -62 | 168.8 | 0 | 0 | 0 | 111.8 | T1215 F1218 L1262 R1271 F1274 | T1215-L1276 HydrophobicContact CG2-CB 4.24Å; T1215-L1276 HydrophobicContact CG2-CD2 3.99Å; F1218-L1276 HydrophobicContact CD1-CD2 3.77Å; F1218-L1276 HydrophobicContact CE1-CD2 4.08Å; L1262-L1276 HydrophobicContact CD2-CD1 4.28Å; R1271-L1276 HydrophobicContact CG-CB 4.01Å; R1271-L1276 WeakPolarHBondContact CG-O 3.27Å; R1271-L1276 PolarHBondContact O-N 2.87Å; F1274-L1276 VanDerWaalsContact C-N 3.27Å; F1274-L1276 HydrophobicContact CB-CD1 3.67Å; F1274-L1276 HydrophobicContact CB-CD2 4.48Å; F1274-L1276 HydrophobicContact CB-CG 3.67Å; F1274-L1276 HydrophobicContact CG-CD1 4.39Å; F1274-L1276 PolarHBondContact O-N 3.17Å |
| 1277 | C | 86.6 | Confident | 88 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 14% | 0.142 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 151.9 | 164.3 | -82 | 0 | 0 | 0 | 0 | 110.7 | Y1212 T1215 | Y1212-C1277 HydrophobicContact CD1-CB 3.63Å; Y1212-C1277 HydrophobicContact CE1-CB 3.76Å; Y1212-C1277 HydrophobicContact CG-CB 4.29Å; T1215-C1277 WeakPolarHBondContact OG1-CB 3.37Å; T1215-C1277 PolarHBondContact OG1-N 3.28Å |
| 1278 | R | 84.1 | Confident | 88.2 | Confident | 167 Ų | 167 | 78 Ų | 78 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 116.2 | 172 | 175 | 177.7 | 169.8 | 133.2 | -1.9 | 108.3 | P1280 | R1278-P1280 WeakPolarHBondContact O-CD 3.46Š|
| 1279 | F | 86.9 | Confident | 88.6 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -59 | 126.3 | 171 | -58.7 | -59 | 0 | 0 | 0 | 110.4 | W1196 Y1212 T1215 A1216 F1284 V1285 L1288 | W1196-F1279 AromaticContact CH2-CD1 3.76Å; W1196-F1279 HydrophobicContact CH2-CD1 3.76Å; W1196-F1279 HydrophobicContact CH2-CE1 4.45Å; W1196-F1279 HydrophobicContact CZ3-CD1 4.27Å; Y1212-F1279 HydrophobicContact CD1-CD1 4.32Å; Y1212-F1279 HydrophobicContact CD1-CE1 4.49Å; T1215-F1279 HydrophobicContact CG2-CE1 4.17Å; T1215-F1279 HydrophobicContact CG2-CE2 3.85Å; T1215-F1279 HydrophobicContact CG2-CZ 3.5Å; A1216-F1279 HydrophobicContact CB-CE1 4.29Å; A1216-F1279 HydrophobicContact CB-CZ 4.08Å; F1279-F1284 HydrophobicContact CB-CD1 4.29Å; F1279-F1284 AromaticContact CD1-CD1 3.86Å; F1279-F1284 HydrophobicContact CD1-CD1 3.86Å; F1279-F1284 AromaticContact CD1-CE1 3.64Å; F1279-F1284 HydrophobicContact CD1-CE1 3.64Å; F1279-F1284 HydrophobicContact CD2-CD1 4.44Å; F1279-F1284 HydrophobicContact CD2-CE1 4.45Å; F1279-F1284 HydrophobicContact CE1-CD1 4.31Å; F1279-F1284 AromaticContact CE1-CE1 3.62Å; F1279-F1284 HydrophobicContact CE1-CE1 3.62Å; F1279-F1284 HydrophobicContact CE1-CZ 4.46Å; F1279-F1284 HydrophobicContact CE2-CE1 4.43Å; F1279-F1284 AromaticContact CG-CD1 3.94Å; F1279-F1284 HydrophobicContact CG-CD1 3.94Å; F1279-F1284 HydrophobicContact CG-CE1 4.07Å; F1279-F1284 HydrophobicContact CZ-CE1 4.03Å; F1279-V1285 HydrophobicContact CB-CG2 3.99Å; F1279-V1285 HydrophobicContact CD2-CG2 3.97Å; F1279-V1285 HydrophobicContact CG-CG2 4.35Å; F1279-L1288 HydrophobicContact CE2-CD2 4.46Å |
| 1280 | P | 83.3 | Confident | 88.9 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -69.8 | -33 | 178.5 | -22.1 | 34.8 | 0 | 0 | 0 | 113 | W1196 R1278 | W1196-P1280 HydrophobicContact CB-CG 4.19Å; W1196-P1280 HydrophobicContact CD2-CG 3.96Å; W1196-P1280 VanDerWaalsContact CE3-CD 3.46Å; W1196-P1280 HydrophobicContact CE3-CG 3.89Å; W1196-P1280 HydrophobicContact CG-CB 4.35Å; W1196-P1280 HydrophobicContact CG-CG 4.1Å; R1278-P1280 WeakPolarHBondContact O-CD 3.46Å |
| 1281 | S | 88 | Confident | 89.2 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | trans | -97.8 | 120.2 | -174.1 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | Y1283 F1284 V1285 | S1281-Y1283 VanDerWaalsContact C-N 3.29Å; S1281-Y1283 PolarHBondContact O-N 2.97Å; S1281-Y1283 PolarHBondContact OG-N 2.95Å; S1281-F1284 WeakPolarHBondContact O-CB 3.36Å; S1281-F1284 PolarHBondContact O-N 2.66Å; S1281-F1284 PolarHBondContact OG-N 3.47Å; S1281-V1285 PolarHBondContact O-N 2.83Å | ||
| 1282 | V | 88.4 | Confident | 89.6 | Confident | 109 Ų | 109 | 64.3 Ų | 64.3 | 66% | 0.661 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.5 | -34.2 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | F1284 V1285 I1286 | V1282-F1284 VanDerWaalsContact C-N 3.3Å; V1282-F1284 PolarHBondContact O-N 2.74Å; V1282-V1285 PolarHBondContact O-N 2.71Å; V1282-I1286 HydrophobicContact CG1-CD1 4.11Å; V1282-I1286 WeakPolarHBondContact O-CG1 3.35Å; V1282-I1286 PolarHBondContact O-N 2.61Å |
| 1283 | Y | 90.8 | Very high | 90 | Very high | 183 Ų | 183 | 60.8 Ų | 60.8 | 72% | 0.718 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.2 | -38.6 | 174.2 | -82.4 | -83.6 | 0 | 0 | 0 | 112.2 | S1281 I1286 I1287 | S1281-Y1283 VanDerWaalsContact C-N 3.29Å; S1281-Y1283 PolarHBondContact O-N 2.97Å; S1281-Y1283 PolarHBondContact OG-N 2.95Å; Y1283-I1286 PolarHBondContact O-N 3.5Å; Y1283-I1287 VanDerWaalsContact O-CG1 3.29Å; Y1283-I1287 WeakPolarHBondContact O-CG1 3.33Å; Y1283-I1287 PolarHBondContact O-N 2.87Å |
| 1284 | F | 91.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176 | 179.1 | -95 | 0 | 0 | 0 | 111.7 | F1190 T1191 Q1194 W1196 F1279 S1281 V1282 I1286 I1287 L1288 | F1190-F1284 HydrophobicContact CD1-CD2 4.18Å; F1190-F1284 AromaticContact CD1-CE2 3.7Å; F1190-F1284 HydrophobicContact CD1-CE2 3.7Å; F1190-F1284 AromaticContact CE1-CD2 3.78Å; F1190-F1284 HydrophobicContact CE1-CD2 3.78Å; F1190-F1284 AromaticContact CE1-CE2 3.8Å; F1190-F1284 HydrophobicContact CE1-CE2 3.8Å; T1191-F1284 HydrophobicContact CG2-CZ 4.33Å; T1191-F1284 WeakPolarHBondContact OG1-CZ 3.31Å; Q1194-F1284 HydrophobicContact CG-CD2 3.84Å; Q1194-F1284 HydrophobicContact CG-CE2 3.88Å; W1196-F1284 HydrophobicContact CH2-CD1 4.11Å; W1196-F1284 HydrophobicContact CH2-CD2 4.4Å; W1196-F1284 HydrophobicContact CH2-CE1 4.14Å; W1196-F1284 HydrophobicContact CH2-CE2 4.41Å; W1196-F1284 HydrophobicContact CH2-CG 4.24Å; W1196-F1284 HydrophobicContact CH2-CZ 4.29Å; W1196-F1284 HydrophobicContact CZ2-CB 3.96Å; W1196-F1284 AromaticContact CZ2-CD1 3.9Å; W1196-F1284 HydrophobicContact CZ2-CD1 3.9Å; W1196-F1284 AromaticContact CZ2-CD2 3.77Å; W1196-F1284 HydrophobicContact CZ2-CD2 3.77Å; W1196-F1284 HydrophobicContact CZ2-CE1 4.32Å; W1196-F1284 HydrophobicContact CZ2-CE2 4.19Å; W1196-F1284 AromaticContact CZ2-CG 3.6Å; W1196-F1284 HydrophobicContact CZ2-CG 3.6Å; W1196-F1284 HydrophobicContact CZ2-CZ 4.45Å; F1279-F1284 HydrophobicContact CB-CD1 4.29Å; F1279-F1284 AromaticContact CD1-CD1 3.86Å; F1279-F1284 HydrophobicContact CD1-CD1 3.86Å; F1279-F1284 AromaticContact CD1-CE1 3.64Å; F1279-F1284 HydrophobicContact CD1-CE1 3.64Å; F1279-F1284 HydrophobicContact CD2-CD1 4.44Å; F1279-F1284 HydrophobicContact CD2-CE1 4.45Å; F1279-F1284 HydrophobicContact CE1-CD1 4.31Å; F1279-F1284 AromaticContact CE1-CE1 3.62Å; F1279-F1284 HydrophobicContact CE1-CE1 3.62Å; F1279-F1284 HydrophobicContact CE1-CZ 4.46Å; F1279-F1284 HydrophobicContact CE2-CE1 4.43Å; F1279-F1284 AromaticContact CG-CD1 3.94Å; F1279-F1284 HydrophobicContact CG-CD1 3.94Å; F1279-F1284 HydrophobicContact CG-CE1 4.07Å; F1279-F1284 HydrophobicContact CZ-CE1 4.03Å; S1281-F1284 WeakPolarHBondContact O-CB 3.36Å; S1281-F1284 PolarHBondContact O-N 2.66Å; S1281-F1284 PolarHBondContact OG-N 3.47Å; V1282-F1284 VanDerWaalsContact C-N 3.3Å; V1282-F1284 PolarHBondContact O-N 2.74Å; F1284-I1286 PolarHBondContact O-N 3.05Å; F1284-I1287 PolarHBondContact O-N 3.19Å; F1284-L1288 WeakPolarHBondContact O-CB 3.31Å; F1284-L1288 PolarHBondContact O-N 3.5Å |
| 1285 | V | 92.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | F1279 S1281 V1282 L1288 H1289 | F1279-V1285 HydrophobicContact CB-CG2 3.99Å; F1279-V1285 HydrophobicContact CD2-CG2 3.97Å; F1279-V1285 HydrophobicContact CG-CG2 4.35Å; S1281-V1285 PolarHBondContact O-N 2.83Å; V1282-V1285 PolarHBondContact O-N 2.71Å; V1285-L1288 WeakPolarHBondContact O-CB 3.09Å; V1285-L1288 PolarHBondContact O-N 3.03Å; V1285-H1289 PolarHBondContact O-CD2 2.94Å; V1285-H1289 PolarHBondContact O-N 2.78Å; V1285-H1289 VanDerWaalsContact O-N 3.07Å |
| 1286 | I | 92.1 | Very high | 91 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.7 | -66.7 | 167 | 0 | 0 | 0 | 111.1 | V1282 Y1283 F1284 L1288 H1289 G1290 | V1282-I1286 HydrophobicContact CG1-CD1 4.11Å; V1282-I1286 WeakPolarHBondContact O-CG1 3.35Å; V1282-I1286 PolarHBondContact O-N 2.61Å; Y1283-I1286 PolarHBondContact O-N 3.5Å; F1284-I1286 PolarHBondContact O-N 3.05Å; I1286-L1288 VanDerWaalsContact C-N 3.34Å; I1286-L1288 PolarHBondContact O-N 3.18Å; I1286-H1289 PolarHBondContact O-N 3.07Å; I1286-G1290 PolarHBondContact O-N 2.73Å |
| 1287 | I | 93.1 | Very high | 91.4 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176 | -69 | 164.5 | 0 | 0 | 0 | 110.9 | F1190 Y1283 F1284 G1290 I1291 | F1190-I1287 HydrophobicContact CE1-CG2 3.75Å; F1190-I1287 HydrophobicContact CZ-CD1 4.3Å; F1190-I1287 HydrophobicContact CZ-CG2 4.08Å; Y1283-I1287 VanDerWaalsContact O-CG1 3.29Å; Y1283-I1287 WeakPolarHBondContact O-CG1 3.33Å; Y1283-I1287 PolarHBondContact O-N 2.87Å; F1284-I1287 PolarHBondContact O-N 3.19Å; I1287-G1290 WeakPolarHBondContact O-CA 3.47Å; I1287-G1290 PolarHBondContact O-N 2.92Å; I1287-G1290 VanDerWaalsContact O-N 3.12Å; I1287-I1291 HydrophobicContact CG2-CD1 3.94Å; I1287-I1291 HydrophobicContact CG2-CG1 4.42Å; I1287-I1291 WeakPolarHBondContact O-CG1 3.39Å; I1287-I1291 PolarHBondContact O-N 3.5Å |
| 1288 | L | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.8 | -160.5 | 71.7 | 0 | 0 | 0 | 111.6 | V1187 V1220 T1263 F1279 F1284 V1285 I1286 G1290 I1291 V1292 | V1187-L1288 HydrophobicContact CG1-CD1 3.68Å; V1187-L1288 HydrophobicContact CG2-CD1 4.16Å; V1220-L1288 HydrophobicContact CG2-CD1 3.55Å; V1220-L1288 HydrophobicContact CG2-CD2 4.36Å; V1220-L1288 HydrophobicContact CG2-CG 3.87Å; T1263-L1288 HydrophobicContact CG2-CD2 3.89Å; F1279-L1288 HydrophobicContact CE2-CD2 4.46Å; F1284-L1288 WeakPolarHBondContact O-CB 3.31Å; F1284-L1288 PolarHBondContact O-N 3.5Å; V1285-L1288 WeakPolarHBondContact O-CB 3.09Å; V1285-L1288 PolarHBondContact O-N 3.03Å; I1286-L1288 VanDerWaalsContact C-N 3.34Å; I1286-L1288 PolarHBondContact O-N 3.18Å; L1288-G1290 VanDerWaalsContact C-N 3.31Å; L1288-G1290 PolarHBondContact O-N 2.89Å; L1288-I1291 PolarHBondContact O-N 3.39Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.07Å; L1288-V1292 PolarHBondContact O-N 3.26Å |
| 1289 | H | 93.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 56.7 Ų | 56.7 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 172.5 | -70.6 | -54.5 | 0 | 0 | 0 | 112.4 | Y1223 S1264 V1285 I1286 V1292 L1293 | Y1223-H1289 PolarHBondContact OH-CE1 3.09Å; Y1223-H1289 VanDerWaalsContact OH-CE1 3.29Å; S1264-H1289 PolarHBondContact OG-NE2 3.35Å; V1285-H1289 PolarHBondContact O-CD2 2.94Å; V1285-H1289 PolarHBondContact O-N 2.78Å; V1285-H1289 VanDerWaalsContact O-N 3.07Å; I1286-H1289 PolarHBondContact O-N 3.07Å; H1289-V1292 PolarHBondContact O-N 3.48Å; H1289-L1293 WeakPolarHBondContact O-CB 3.02Å; H1289-L1293 PolarHBondContact O-N 2.82Å |
| 1290 | G | 93.8 | Very high | 92.4 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1286 I1287 L1288 V1292 L1293 G1294 | I1286-G1290 PolarHBondContact O-N 2.73Å; I1287-G1290 WeakPolarHBondContact O-CA 3.47Å; I1287-G1290 PolarHBondContact O-N 2.92Å; I1287-G1290 VanDerWaalsContact O-N 3.12Å; L1288-G1290 VanDerWaalsContact C-N 3.31Å; L1288-G1290 PolarHBondContact O-N 2.89Å; G1290-V1292 VanDerWaalsContact C-N 3.35Å; G1290-L1293 PolarHBondContact O-N 2.9Å; G1290-G1294 PolarHBondContact O-N 3.04Å |
| 1291 | I | 94.7 | Very high | 92.8 | Very high | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 174.5 | -69 | 166 | 0 | 0 | 0 | 110.4 | V1183 V1187 I1287 L1288 G1294 N1295 | V1183-I1291 HydrophobicContact CG1-CG2 3.75Å; V1187-I1291 HydrophobicContact CG2-CD1 4.15Å; V1187-I1291 HydrophobicContact CG2-CG2 4.04Å; I1287-I1291 HydrophobicContact CG2-CD1 3.94Å; I1287-I1291 HydrophobicContact CG2-CG1 4.42Å; I1287-I1291 WeakPolarHBondContact O-CG1 3.39Å; I1287-I1291 PolarHBondContact O-N 3.5Å; L1288-I1291 PolarHBondContact O-N 3.39Å; I1291-G1294 PolarHBondContact O-N 3.42Å; I1291-N1295 WeakPolarHBondContact O-CB 3.4Å; I1291-N1295 PolarHBondContact O-N 3.4Å |
| 1292 | V | 94.3 | Very high | 93 | Very high | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.9 | 164.6 | 0 | 0 | 0 | 0 | 111.9 | V1220 Y1223 I1227 L1288 H1289 G1290 N1295 L1296 | V1220-V1292 HydrophobicContact CG2-CG2 4.23Å; Y1223-V1292 HydrophobicContact CD1-CG1 3.83Å; Y1223-V1292 HydrophobicContact CD2-CB 4.37Å; Y1223-V1292 HydrophobicContact CD2-CG1 3.95Å; Y1223-V1292 HydrophobicContact CD2-CG2 3.58Å; Y1223-V1292 HydrophobicContact CE2-CG2 4.27Å; Y1223-V1292 HydrophobicContact CG-CB 4.39Å; Y1223-V1292 HydrophobicContact CG-CG1 3.51Å; Y1223-V1292 HydrophobicContact CG-CG2 3.98Å; I1227-V1292 HydrophobicContact CD1-CG1 4.48Å; L1288-V1292 WeakPolarHBondContact O-CG2 3.07Å; L1288-V1292 PolarHBondContact O-N 3.26Å; H1289-V1292 PolarHBondContact O-N 3.48Å; G1290-V1292 VanDerWaalsContact C-N 3.35Å; V1292-N1295 PolarHBondContact O-N 2.94Å; V1292-L1296 PolarHBondContact O-N 3.31Å |
| 1293 | L | 94.3 | Very high | 93.1 | Very high | 100 Ų | 100 | 57.9 Ų | 57.9 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 177.6 | -178.8 | 60.8 | 0 | 0 | 0 | 112 | H1289 G1290 N1295 L1296 L1297 | H1289-L1293 WeakPolarHBondContact O-CB 3.02Å; H1289-L1293 PolarHBondContact O-N 2.82Å; G1290-L1293 PolarHBondContact O-N 2.9Å; L1293-N1295 VanDerWaalsContact C-N 3.33Å; L1293-N1295 PolarHBondContact O-N 3.08Å; L1293-L1296 PolarHBondContact O-N 2.83Å; L1293-L1297 HydrophobicContact CG-CD1 4.31Å; L1293-L1297 WeakPolarHBondContact O-CG 3.23Å; L1293-L1297 PolarHBondContact O-N 3.36Å |
| 1294 | G | 95 | Very high | 92.8 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 38% | 0.381 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1290 I1291 L1297 F1298 | G1290-G1294 PolarHBondContact O-N 3.04Å; I1291-G1294 PolarHBondContact O-N 3.42Å; G1294-L1297 PolarHBondContact O-N 3.15Å; G1294-F1298 WeakPolarHBondContact O-CB 3.37Å; G1294-F1298 PolarHBondContact O-N 2.88Å |
| 1295 | N | 95.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.7 | -169 | 29 | 0 | 0 | 0 | 112.4 | T1179 V1183 Q1224 I1227 I1291 V1292 L1293 L1297 G1299 | T1179-N1295 WeakPolarHBondContact CG2-OD1 3.4Å; V1183-N1295 HydrophobicContact CG2-CB 4.41Å; Q1224-N1295 WeakPolarHBondContact CG-ND2 3.44Å; I1227-N1295 HydrophobicContact CD1-CB 4.31Å; I1291-N1295 WeakPolarHBondContact O-CB 3.4Å; I1291-N1295 PolarHBondContact O-N 3.4Å; V1292-N1295 PolarHBondContact O-N 2.94Å; L1293-N1295 VanDerWaalsContact C-N 3.33Å; L1293-N1295 PolarHBondContact O-N 3.08Å; N1295-L1297 PolarHBondContact O-N 2.69Å; N1295-G1299 PolarHBondContact O-N 2.84Å |
| 1296 | L | 94.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.8 | 172.9 | 59.9 | 0 | 0 | 0 | 111.6 | I1227 I1230 V1292 L1293 Y1300 | I1227-L1296 HydrophobicContact CD1-CB 4.02Å; I1227-L1296 HydrophobicContact CG1-CB 3.96Å; I1227-L1296 HydrophobicContact CG1-CD1 4.04Å; I1227-L1296 HydrophobicContact CG2-CD1 4.23Å; I1230-L1296 HydrophobicContact CD1-CD1 4.02Å; V1292-L1296 PolarHBondContact O-N 3.31Å; L1293-L1296 PolarHBondContact O-N 2.83Å; L1296-Y1300 VanDerWaalsContact O-CB 3.28Å; L1296-Y1300 WeakPolarHBondContact O-CB 3.18Å; L1296-Y1300 PolarHBondContact O-N 2.77Å |
| 1297 | L | 94.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 53 Ų | 53 | 53% | 0.529 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | -179.7 | -72.6 | 167.5 | 0 | 0 | 0 | 111.8 | L1293 G1294 N1295 Y1300 I1301 | L1293-L1297 HydrophobicContact CG-CD1 4.31Å; L1293-L1297 WeakPolarHBondContact O-CG 3.23Å; L1293-L1297 PolarHBondContact O-N 3.36Å; G1294-L1297 PolarHBondContact O-N 3.15Å; N1295-L1297 PolarHBondContact O-N 2.69Å; L1297-Y1300 PolarHBondContact O-N 3.27Å; L1297-I1301 WeakPolarHBondContact O-CD1 3.11Å; L1297-I1301 VanDerWaalsContact O-CG1 3.27Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.11Å; L1297-I1301 PolarHBondContact O-N 3Å |
| 1298 | F | 94.8 | Very high | 90.6 | Very high | 115 Ų | 115 | 50.5 Ų | 50.5 | 50% | 0.504 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -46.2 | -179.7 | -176.9 | -94.8 | 0 | 0 | 0 | 111.9 | T1179 G1294 Y1300 I1301 L1302 | T1179-F1298 HydrophobicContact CG2-CD1 3.64Å; T1179-F1298 HydrophobicContact CG2-CE1 3.9Å; G1294-F1298 WeakPolarHBondContact O-CB 3.37Å; G1294-F1298 PolarHBondContact O-N 2.88Å; F1298-Y1300 PolarHBondContact O-N 2.85Å; F1298-I1301 PolarHBondContact O-N 2.93Å; F1298-L1302 HydrophobicContact CE1-CD1 3.74Å; F1298-L1302 HydrophobicContact CZ-CD1 4.06Å; F1298-L1302 VanDerWaalsContact O-CB 3.28Å; F1298-L1302 WeakPolarHBondContact O-CB 3.37Å; F1298-L1302 PolarHBondContact O-N 2.9Å |
| 1299 | G | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1176 N1295 L1302 E1303 | Q1176-G1299 PolarHBondContact NE2-O 3.24Å; N1295-G1299 PolarHBondContact O-N 2.84Å; G1299-L1302 PolarHBondContact O-N 2.83Å; G1299-E1303 PolarHBondContact O-N 2.97Å |
| 1300 | Y | 91.5 | Very high | 88.3 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 53% | 0.525 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 176.2 | -175.4 | -94.5 | 0 | 0 | 0 | 112.7 | L1296 L1297 F1298 L1302 S1304 | L1296-Y1300 VanDerWaalsContact O-CB 3.28Å; L1296-Y1300 WeakPolarHBondContact O-CB 3.18Å; L1296-Y1300 PolarHBondContact O-N 2.77Å; L1297-Y1300 PolarHBondContact O-N 3.27Å; F1298-Y1300 PolarHBondContact O-N 2.85Å; Y1300-L1302 VanDerWaalsContact C-N 3.33Å; Y1300-S1304 VanDerWaalsContact O-CB 3.31Å; Y1300-S1304 WeakPolarHBondContact O-CB 3.31Å; Y1300-S1304 PolarHBondContact O-N 3.47Å; Y1300-S1304 PolarHBondContact O-OG 2.89Å |
| 1301 | I | 91.6 | Very high | 87.4 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.9 | -69.7 | 166.1 | 0 | 0 | 0 | 110.3 | L1297 F1298 S1304 I1305 | L1297-I1301 WeakPolarHBondContact O-CD1 3.11Å; L1297-I1301 VanDerWaalsContact O-CG1 3.27Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.11Å; L1297-I1301 PolarHBondContact O-N 3Å; F1298-I1301 PolarHBondContact O-N 2.93Å; I1301-S1304 WeakPolarHBondContact O-CB 3.35Å; I1301-S1304 PolarHBondContact O-N 2.85Å; I1301-I1305 HydrophobicContact CG2-CD1 3.82Å; I1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; I1301-I1305 PolarHBondContact O-N 2.92Å |
| 1302 | L | 91.6 | Very high | 86.2 | Confident | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | -178.6 | -173.2 | 146.5 | 0 | 0 | 0 | 112.4 | L1175 Q1176 F1298 G1299 Y1300 S1304 I1305 V1306 | L1175-L1302 HydrophobicContact CB-CD1 4.13Å; L1175-L1302 HydrophobicContact CB-CD2 3.59Å; L1175-L1302 HydrophobicContact CB-CG 4.46Å; L1175-L1302 HydrophobicContact CD1-CD1 4.49Å; L1175-L1302 HydrophobicContact CD1-CD2 4.04Å; L1175-L1302 HydrophobicContact CG-CD2 4.46Å; Q1176-L1302 HydrophobicContact CG-CD2 4.47Å; F1298-L1302 HydrophobicContact CE1-CD1 3.74Å; F1298-L1302 HydrophobicContact CZ-CD1 4.06Å; F1298-L1302 VanDerWaalsContact O-CB 3.28Å; F1298-L1302 WeakPolarHBondContact O-CB 3.37Å; F1298-L1302 PolarHBondContact O-N 2.9Å; G1299-L1302 PolarHBondContact O-N 2.83Å; Y1300-L1302 VanDerWaalsContact C-N 3.33Å; L1302-S1304 VanDerWaalsContact C-N 3.31Å; L1302-S1304 PolarHBondContact O-N 2.97Å; L1302-I1305 PolarHBondContact O-N 3.41Å; L1302-V1306 HydrophobicContact CD2-CG2 4.2Å; L1302-V1306 WeakPolarHBondContact O-CG2 3.5Å; L1302-V1306 PolarHBondContact O-N 3.23Å |
| 1303 | E | 90.5 | Very high | 85.1 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175 | -175 | 72.8 | 173.2 | 0 | 0 | 110.8 | K1103 S1172 V1231 K1234 G1299 I1305 V1306 D1307 | K1103-E1303 IonicContact NZ-OE1 3.79Å; K1103-E1303 PolarHBondContact NZ-OE1 2.76Å; K1103-E1303 IonicContact NZ-OE2 3.17Å; S1172-E1303 VanDerWaalsContact CB-OE2 3.26Å; S1172-E1303 WeakPolarHBondContact CB-OE2 3.41Å; S1172-E1303 VanDerWaalsContact OG-CD 3.25Å; S1172-E1303 PolarHBondContact OG-OE1 2.74Å; S1172-E1303 PolarHBondContact OG-OE2 2.78Å; V1231-E1303 HydrophobicContact CG1-CB 3.5Å; V1231-E1303 HydrophobicContact CG1-CG 3.88Å; K1234-E1303 WeakPolarHBondContact CE-OE1 3.04Å; K1234-E1303 IonicContact NZ-OE1 3.01Å; G1299-E1303 PolarHBondContact O-N 2.97Å; E1303-I1305 VanDerWaalsContact C-N 3.27Å; E1303-I1305 PolarHBondContact O-N 2.87Å; E1303-V1306 PolarHBondContact O-N 3.02Å; E1303-V1306 VanDerWaalsContact O-N 3.14Å; E1303-D1307 WeakPolarHBondContact O-CB 3.43Å; E1303-D1307 PolarHBondContact O-N 3.41Å |
| 1304 | S | 85.6 | Confident | 84.3 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | Y1300 I1301 L1302 G1308 | Y1300-S1304 VanDerWaalsContact O-CB 3.31Å; Y1300-S1304 WeakPolarHBondContact O-CB 3.31Å; Y1300-S1304 PolarHBondContact O-N 3.47Å; Y1300-S1304 PolarHBondContact O-OG 2.89Å; I1301-S1304 WeakPolarHBondContact O-CB 3.35Å; I1301-S1304 PolarHBondContact O-N 2.85Å; L1302-S1304 VanDerWaalsContact C-N 3.31Å; L1302-S1304 PolarHBondContact O-N 2.97Å; S1304-G1308 PolarHBondContact O-N 3.45Å |
| 1305 | I | 87 | Confident | 83.3 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -47 | 172.9 | -68.8 | 165.4 | 0 | 0 | 0 | 110.5 | I1301 L1302 E1303 D1307 G1308 F1311 | I1301-I1305 HydrophobicContact CG2-CD1 3.82Å; I1301-I1305 WeakPolarHBondContact O-CG1 3.38Å; I1301-I1305 PolarHBondContact O-N 2.92Å; L1302-I1305 PolarHBondContact O-N 3.41Å; E1303-I1305 VanDerWaalsContact C-N 3.27Å; E1303-I1305 PolarHBondContact O-N 2.87Å; I1305-D1307 PolarHBondContact O-N 2.88Å; I1305-G1308 PolarHBondContact O-N 2.9Å; I1305-G1308 VanDerWaalsContact O-N 3.09Å; I1305-F1311 HydrophobicContact CG2-CD2 4.03Å; I1305-F1311 HydrophobicContact CG2-CE2 4.39Å; I1305-F1311 HydrophobicContact CG2-CG 4.47Å; I1305-F1311 WeakPolarHBondContact O-CB 3.47Å; I1305-F1311 WeakPolarHBondContact O-CG 3.4Å |
| 1306 | V | 84.7 | Confident | 82 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | -176 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | V1168 L1175 L1302 E1303 G1308 F1311 | V1168-V1306 HydrophobicContact CG1-CG1 4.09Å; L1175-V1306 HydrophobicContact CD1-CG2 3.98Å; L1302-V1306 HydrophobicContact CD2-CG2 4.2Å; L1302-V1306 WeakPolarHBondContact O-CG2 3.5Å; L1302-V1306 PolarHBondContact O-N 3.23Å; E1303-V1306 PolarHBondContact O-N 3.02Å; E1303-V1306 VanDerWaalsContact O-N 3.14Å; V1306-G1308 VanDerWaalsContact C-N 3.31Å; V1306-F1311 HydrophobicContact CB-CD1 4.4Å; V1306-F1311 HydrophobicContact CB-CE1 4.13Å; V1306-F1311 HydrophobicContact CG1-CD1 4.48Å; V1306-F1311 HydrophobicContact CG1-CE1 4.08Å; V1306-F1311 HydrophobicContact CG2-CE1 3.92Å; V1306-F1311 HydrophobicContact CG2-CZ 4.21Å; V1306-F1311 WeakPolarHBondContact O-CD1 3.49Å |
| 1307 | D | 76.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -78 | -15.4 | 173.9 | -103.6 | 23.2 | 0 | 0 | 0 | 113.5 | K1234 E1303 I1305 V1309 R1312 | K1234-D1307 WeakPolarHBondContact CD-OD2 3.14Å; K1234-D1307 WeakPolarHBondContact CE-OD2 3.24Å; K1234-D1307 IonicContact NZ-OD1 2.65Å; K1234-D1307 PolarHBondContact NZ-OD1 3.47Å; K1234-D1307 IonicContact NZ-OD2 3.88Å; K1234-D1307 PolarHBondContact NZ-OD2 3.23Å; E1303-D1307 WeakPolarHBondContact O-CB 3.43Å; E1303-D1307 PolarHBondContact O-N 3.41Å; I1305-D1307 PolarHBondContact O-N 2.88Å; D1307-V1309 PolarHBondContact O-N 3.36Å; D1307-R1312 VanDerWaalsContact O-CZ 3.31Å; D1307-R1312 PolarHBondContact O-NE 2.8Å; D1307-R1312 PolarHBondContact O-NH2 2.69Å |
| 1308 | G | 75.1 | Confident | 80.1 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | trans | -55.2 | 134.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1304 I1305 V1306 S1310 F1311 R1312 | S1304-G1308 PolarHBondContact O-N 3.45Å; I1305-G1308 PolarHBondContact O-N 2.9Å; I1305-G1308 VanDerWaalsContact O-N 3.09Å; V1306-G1308 VanDerWaalsContact C-N 3.31Å; G1308-S1310 VanDerWaalsContact C-N 3.28Å; G1308-S1310 PolarHBondContact O-N 2.92Å; G1308-F1311 WeakPolarHBondContact O-CB 3.39Å; G1308-F1311 PolarHBondContact O-N 3.25Å; G1308-R1312 PolarHBondContact O-N 3.38Å | ||
| 1309 | V | 68.5 | Low | 78.8 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.4 | -43.4 | -177.3 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | D1307 F1311 R1312 Q1313 | D1307-V1309 PolarHBondContact O-N 3.36Å; V1309-F1311 VanDerWaalsContact C-N 3.31Å; V1309-F1311 PolarHBondContact O-N 3.31Å; V1309-R1312 CarbonylContact O-C 3.58Å; V1309-R1312 PolarHBondContact O-N 2.75Å; V1309-Q1313 WeakPolarHBondContact O-CG 3.49Å; V1309-Q1313 PolarHBondContact O-N 2.88Å |
| 1310 | S | 68.8 | Low | 77.5 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 60% | 0.601 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 177.3 | -38 | 0 | 0 | 0 | 0 | 112.9 | G1308 Q1313 R1314 | G1308-S1310 VanDerWaalsContact C-N 3.28Å; G1308-S1310 PolarHBondContact O-N 2.92Å; S1310-Q1313 PolarHBondContact O-N 2.85Å; S1310-R1314 PolarHBondContact O-N 3.47Å |
| 1311 | F | 75.1 | Confident | 76.8 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 25% | 0.25 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.1 | -43 | 176.3 | -172 | -97.4 | 0 | 0 | 0 | 111.2 | L1171 I1305 V1306 G1308 V1309 Q1313 R1314 I1315 | L1171-F1311 HydrophobicContact CD2-CE1 3.92Å; L1171-F1311 HydrophobicContact CD2-CZ 3.91Å; I1305-F1311 HydrophobicContact CG2-CD2 4.03Å; I1305-F1311 HydrophobicContact CG2-CE2 4.39Å; I1305-F1311 HydrophobicContact CG2-CG 4.47Å; I1305-F1311 WeakPolarHBondContact O-CB 3.47Å; I1305-F1311 WeakPolarHBondContact O-CG 3.4Å; V1306-F1311 HydrophobicContact CB-CD1 4.4Å; V1306-F1311 HydrophobicContact CB-CE1 4.13Å; V1306-F1311 HydrophobicContact CG1-CD1 4.48Å; V1306-F1311 HydrophobicContact CG1-CE1 4.08Å; V1306-F1311 HydrophobicContact CG2-CE1 3.92Å; V1306-F1311 HydrophobicContact CG2-CZ 4.21Å; V1306-F1311 WeakPolarHBondContact O-CD1 3.49Å; G1308-F1311 WeakPolarHBondContact O-CB 3.39Å; G1308-F1311 PolarHBondContact O-N 3.25Å; V1309-F1311 VanDerWaalsContact C-N 3.31Å; V1309-F1311 PolarHBondContact O-N 3.31Å; F1311-Q1313 PolarHBondContact O-N 2.86Å; F1311-R1314 PolarHBondContact O-N 3.05Å; F1311-I1315 HydrophobicContact CD1-CD1 3.83Å; F1311-I1315 HydrophobicContact CD1-CG1 4.3Å; F1311-I1315 HydrophobicContact CE1-CD1 3.23Å; F1311-I1315 HydrophobicContact CE1-CG1 4.02Å; F1311-I1315 HydrophobicContact CZ-CD1 3.7Å; F1311-I1315 HydrophobicContact CZ-CG1 4.27Å; F1311-I1315 PolarHBondContact O-N 3.27Å |
| 1312 | R | 70 | Confident | 75.9 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -21.7 | 170.5 | -71.9 | -170.3 | -85.1 | 139.6 | -6.6 | 113.2 | E1158 V1168 D1307 G1308 V1309 R1316 | E1158-R1312 IonicContact OE2-CZ 2.66Å; E1158-R1312 IonicContact OE2-NH1 3.83Å; E1158-R1312 PolarHBondContact OE2-NH1 3.29Å; V1168-R1312 HydrophobicContact CG1-CG 4.33Å; V1168-R1312 HydrophobicContact CG2-CG 4.06Å; D1307-R1312 VanDerWaalsContact O-CZ 3.31Å; D1307-R1312 PolarHBondContact O-NE 2.8Å; D1307-R1312 PolarHBondContact O-NH2 2.69Å; G1308-R1312 PolarHBondContact O-N 3.38Å; V1309-R1312 CarbonylContact O-C 3.58Å; V1309-R1312 PolarHBondContact O-N 2.75Å; R1312-R1316 WeakPolarHBondContact O-CG 3.35Å; R1312-R1316 PolarHBondContact O-NE 2.98Å |
| 1313 | Q | 71.5 | Confident | 74.7 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -82.2 | -47.6 | 169.5 | -73 | 173.4 | -7 | 0 | 0 | 111.9 | V1309 S1310 F1311 I1315 R1316 H1317 | V1309-Q1313 WeakPolarHBondContact O-CG 3.49Å; V1309-Q1313 PolarHBondContact O-N 2.88Å; S1310-Q1313 PolarHBondContact O-N 2.85Å; F1311-Q1313 PolarHBondContact O-N 2.86Å; Q1313-I1315 PolarHBondContact O-N 3.17Å; Q1313-R1316 PolarHBondContact O-N 3.48Å; Q1313-R1316 VanDerWaalsContact O-N 3.11Å; Q1313-H1317 PolarHBondContact O-N 2.76Å |
| 1314 | R | 76.1 | Confident | 73.1 | Confident | 189 Ų | 189 | 87.5 Ų | 87.5 | 71% | 0.713 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.5 | -45.2 | 175.9 | -80.9 | -174.8 | 171.7 | -173.2 | -2.8 | 112.6 | S1310 F1311 R1316 H1317 I1318 | S1310-R1314 PolarHBondContact O-N 3.47Å; F1311-R1314 PolarHBondContact O-N 3.05Å; R1314-R1316 VanDerWaalsContact C-N 3.34Å; R1314-R1316 PolarHBondContact O-N 2.91Å; R1314-H1317 WeakPolarHBondContact O-CB 3.47Å; R1314-H1317 PolarHBondContact O-N 2.73Å; R1314-H1317 VanDerWaalsContact O-N 3.12Å; R1314-I1318 WeakPolarHBondContact O-CG1 3.24Å; R1314-I1318 PolarHBondContact O-N 2.92Å |
| 1315 | I | 74.5 | Confident | 71.1 | Confident | 18 Ų | 18 | 94.1 Ų | 94.1 | 9% | 0.092 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174.4 | -76.9 | -172.7 | 0 | 0 | 0 | 111.4 | T1167 L1171 F1311 Q1313 H1317 I1318 Q1319 | T1167-I1315 HydrophobicContact CG2-CG2 4.44Å; L1171-I1315 HydrophobicContact CD2-CD1 3.44Å; L1171-I1315 VanDerWaalsContact CD2-CD1 3.44Å; F1311-I1315 HydrophobicContact CD1-CD1 3.83Å; F1311-I1315 HydrophobicContact CD1-CG1 4.3Å; F1311-I1315 HydrophobicContact CE1-CD1 3.23Å; F1311-I1315 HydrophobicContact CE1-CG1 4.02Å; F1311-I1315 HydrophobicContact CZ-CD1 3.7Å; F1311-I1315 HydrophobicContact CZ-CG1 4.27Å; F1311-I1315 PolarHBondContact O-N 3.27Å; Q1313-I1315 PolarHBondContact O-N 3.17Å; I1315-H1317 VanDerWaalsContact C-N 3.26Å; I1315-H1317 PolarHBondContact O-N 2.76Å; I1315-I1318 PolarHBondContact O-N 3.03Å; I1315-Q1319 HydrophobicContact CG2-CG 4.08Å; I1315-Q1319 WeakPolarHBondContact O-CB 3.26Å; I1315-Q1319 WeakPolarHBondContact O-CG 3.4Å; I1315-Q1319 PolarHBondContact O-N 2.97Å |
| 1316 | R | 67.6 | Low | 69.2 | Low | 118 Ų | 118 | 98.7 Ų | 98.7 | 45% | 0.445 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 175.8 | -82.4 | -177.3 | -82.4 | -175.8 | -6.1 | 112.5 | R1312 Q1313 R1314 R1320 | R1312-R1316 WeakPolarHBondContact O-CG 3.35Å; R1312-R1316 PolarHBondContact O-NE 2.98Å; Q1313-R1316 PolarHBondContact O-N 3.48Å; Q1313-R1316 VanDerWaalsContact O-N 3.11Å; R1314-R1316 VanDerWaalsContact C-N 3.34Å; R1314-R1316 PolarHBondContact O-N 2.91Å; R1316-R1320 WeakPolarHBondContact O-CB 3.4Å; R1316-R1320 VanDerWaalsContact O-CD 3.31Å; R1316-R1320 WeakPolarHBondContact O-CD 3.32Å; R1316-R1320 WeakPolarHBondContact O-CG 3.35Å; R1316-R1320 PolarHBondContact O-N 3Å |
| 1317 | H | 71.4 | Confident | 67.3 | Low | 124 Ų | 124 | 103.9 Ų | 103.9 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.1 | -51 | 170.2 | -98.8 | -98.9 | 0 | 0 | 0 | 112.6 | Q1313 R1314 I1315 Q1319 R1320 A1321 | Q1313-H1317 PolarHBondContact O-N 2.76Å; R1314-H1317 WeakPolarHBondContact O-CB 3.47Å; R1314-H1317 PolarHBondContact O-N 2.73Å; R1314-H1317 VanDerWaalsContact O-N 3.12Å; I1315-H1317 VanDerWaalsContact C-N 3.26Å; I1315-H1317 PolarHBondContact O-N 2.76Å; H1317-Q1319 VanDerWaalsContact C-N 3.32Å; H1317-Q1319 PolarHBondContact O-N 2.91Å; H1317-R1320 PolarHBondContact O-N 3.38Å; H1317-R1320 VanDerWaalsContact O-N 3.16Å; H1317-A1321 PolarHBondContact O-N 3.23Å |
| 1318 | I | 77.1 | Confident | 66 | Low | 97 Ų | 97 | 106.5 Ų | 106.5 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | -178.6 | -67.2 | 164.1 | 0 | 0 | 0 | 111.2 | R1314 I1315 A1321 L1322 | R1314-I1318 WeakPolarHBondContact O-CG1 3.24Å; R1314-I1318 PolarHBondContact O-N 2.92Å; I1315-I1318 PolarHBondContact O-N 3.03Å; I1318-A1321 PolarHBondContact O-N 2.78Å; I1318-L1322 HydrophobicContact CG2-CD1 3.74Å; I1318-L1322 HydrophobicContact CG2-CG 4.38Å; I1318-L1322 PolarHBondContact O-N 2.97Å |
| 1319 | Q | 67.5 | Low | 65.2 | Low | 77 Ų | 77 | 110.7 Ų | 110.7 | 36% | 0.36 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.4 | -73.6 | -172.7 | -58.7 | 0 | 0 | 112.7 | T1167 I1315 H1317 A1321 F1323 | T1167-Q1319 PolarHBondContact OG1-NE2 3.28Å; I1315-Q1319 HydrophobicContact CG2-CG 4.08Å; I1315-Q1319 WeakPolarHBondContact O-CB 3.26Å; I1315-Q1319 WeakPolarHBondContact O-CG 3.4Å; I1315-Q1319 PolarHBondContact O-N 2.97Å; H1317-Q1319 VanDerWaalsContact C-N 3.32Å; H1317-Q1319 PolarHBondContact O-N 2.91Å; Q1319-A1321 VanDerWaalsContact C-N 3.27Å; Q1319-A1321 PolarHBondContact O-N 3.02Å; Q1319-F1323 CarbonylContact O-C 3.59Å; Q1319-F1323 WeakPolarHBondContact O-CA 3.48Å; Q1319-F1323 PolarHBondContact O-N 2.9Å |
| 1320 | R | 65.4 | Low | 65.4 | Low | 157 Ų | 157 | 111 Ų | 111 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.5 | -33 | 174.9 | -76.1 | 168.4 | 176.7 | 176.8 | -4.3 | 112.4 | R1316 H1317 | R1316-R1320 WeakPolarHBondContact O-CB 3.4Å; R1316-R1320 VanDerWaalsContact O-CD 3.31Å; R1316-R1320 WeakPolarHBondContact O-CD 3.32Å; R1316-R1320 WeakPolarHBondContact O-CG 3.35Å; R1316-R1320 PolarHBondContact O-N 3Å; H1317-R1320 PolarHBondContact O-N 3.38Å; H1317-R1320 VanDerWaalsContact O-N 3.16Å |
| 1321 | A | 76.8 | Confident | 65.9 | Low | 81 Ų | 81 | 111 Ų | 111 | 67% | 0.669 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76.6 | -48.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1317 I1318 Q1319 | H1317-A1321 PolarHBondContact O-N 3.23Å; I1318-A1321 PolarHBondContact O-N 2.78Å; Q1319-A1321 VanDerWaalsContact C-N 3.27Å; Q1319-A1321 PolarHBondContact O-N 3.02Å |
| 1322 | L | 73.5 | Confident | 66.3 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.6 | -36.2 | -179 | -72.4 | 172.2 | 0 | 0 | 0 | 113.2 | I1318 | I1318-L1322 HydrophobicContact CG2-CD1 3.74Å; I1318-L1322 HydrophobicContact CG2-CG 4.38Å; I1318-L1322 PolarHBondContact O-N 2.97Å |
| 1323 | F | 65.7 | Low | 66.9 | Low | 130 Ų | 130 | 109.5 Ų | 109.5 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | trans | -131.3 | 84.9 | -178.1 | -64.6 | -73.8 | 0 | 0 | 0 | 110.1 | Q1319 R1325 | Q1319-F1323 CarbonylContact O-C 3.59Å; Q1319-F1323 WeakPolarHBondContact O-CA 3.48Å; Q1319-F1323 PolarHBondContact O-N 2.9Å; F1323-R1325 PolarHBondContact O-N 3.43Å | ||
| 1324 | P | 56.5 | Low | 67.4 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 52% | 0.524 | S | S | * | . | trans | -69.9 | 35.7 | 168.7 | 31.9 | -37 | 0 | 0 | 0 | 112.7 | ||||
| 1325 | R | 44.4 | Very low | 67.7 | Low | 201 Ų | 201 | 101.5 Ų | 101.5 | 76% | 0.758 | 50% | 0.495 | S | S | * | . | trans | -62 | 140.8 | 161.2 | -75.5 | -179.2 | 165.6 | 162.5 | -3.2 | 107.7 | F1323 V1327 | F1323-R1325 PolarHBondContact O-N 3.43Å; R1325-V1327 PolarHBondContact O-N 3.33Å | ||
| 1326 | H | 46 | Very low | 68.1 | Low | 191 Ų | 191 | 106.4 Ų | 106.4 | 88% | 0.884 | 51% | 0.512 | S | S | * | . | trans | -57.2 | 102.5 | 168.4 | -83.6 | 29.4 | 0 | 0 | 0 | 109.2 | S1328 | H1326-S1328 VanDerWaalsContact C-N 3.3Å; H1326-S1328 PolarHBondContact O-N 3.45Å | ||
| 1327 | V | 46.8 | Very low | 68.6 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | trans | -66.2 | 101.1 | 160.9 | 178.3 | 0 | 0 | 0 | 0 | 104.7 | R1325 R1329 | R1325-V1327 PolarHBondContact O-N 3.33Å; V1327-R1329 PolarHBondContact O-N 3.42Å | ||
| 1328 | S | 48.7 | Very low | 69.1 | Low | 99 Ų | 99 | 99.5 Ų | 99.5 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | trans | -54.4 | 96.2 | 166.9 | 162 | 0 | 0 | 0 | 0 | 107.5 | H1326 | H1326-S1328 VanDerWaalsContact C-N 3.3Å; H1326-S1328 PolarHBondContact O-N 3.45Å | ||
| 1329 | R | 57.1 | Low | 69.1 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | trans | -55.9 | 145.6 | 152.2 | -76.6 | 168.9 | 120.4 | -174 | -12.6 | 106.2 | V1327 E1333 D1337 | V1327-R1329 PolarHBondContact O-N 3.42Å; R1329-E1333 HydrophobicContact CB-CB 4.24Å; R1329-D1337 IonicContact CZ-OD1 3.56Å; R1329-D1337 IonicContact CZ-OD2 2.88Å; R1329-D1337 IonicContact NH1-OD2 2.65Å; R1329-D1337 PolarHBondContact NH1-OD2 3.2Å; R1329-D1337 VanDerWaalsContact NH2-CG 3.31Å; R1329-D1337 IonicContact NH2-OD1 3.87Å; R1329-D1337 PolarHBondContact NH2-OD1 3.26Å; R1329-D1337 IonicContact NH2-OD2 3.99Å; R1329-D1337 PolarHBondContact NH2-OD2 3.19Å | ||
| 1330 | K | 72.7 | Confident | 69.5 | Low | 77 Ų | 77 | 93.8 Ų | 93.8 | 34% | 0.335 | 46% | 0.46 | S | S | . | . | trans | -62.6 | 148 | 175.7 | -53.3 | 176.6 | -162.2 | 165.3 | 0 | 107.9 | Y1332 E1333 H1334 | K1330-Y1332 VanDerWaalsContact C-N 3.26Å; K1330-Y1332 HydrophobicContact CB-CD1 3.94Å; K1330-Y1332 HydrophobicContact CB-CE1 3.75Å; K1330-Y1332 HydrophobicContact CD-CD1 4.31Å; K1330-Y1332 HydrophobicContact CD-CE1 3.36Å; K1330-Y1332 WeakPolarHBondContact CD-OH 3.36Å; K1330-Y1332 HydrophobicContact CG-CE1 4.26Å; K1330-Y1332 PolarHBondContact NZ-OH 2.9Å; K1330-Y1332 PolarHBondContact O-N 3.27Å; K1330-E1333 HydrophobicContact CB-CG 4.32Å; K1330-E1333 WeakPolarHBondContact O-CA 3.33Å; K1330-E1333 VanDerWaalsContact O-CB 3.3Å; K1330-E1333 WeakPolarHBondContact O-CB 3.3Å; K1330-E1333 PolarHBondContact O-N 3.43Å; K1330-H1334 PolarHBondContact O-N 3.22Å | ||
| 1331 | D | 78.8 | Confident | 69.9 | Low | 88 Ų | 88 | 95.3 Ų | 95.3 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | -164.7 | -49.4 | -76.9 | 0 | 0 | 0 | 111.3 | E1333 H1334 I1335 | D1331-E1333 VanDerWaalsContact C-N 3.26Å; D1331-E1333 PolarHBondContact O-N 3.13Å; D1331-H1334 PolarHBondContact O-N 3.02Å; D1331-H1334 VanDerWaalsContact O-N 3.12Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.49Å; D1331-I1335 VanDerWaalsContact O-CG1 3.25Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.46Å; D1331-I1335 PolarHBondContact O-N 3.49Å |
| 1332 | Y | 83.8 | Confident | 69.7 | Low | 28 Ų | 28 | 94.4 Ų | 94.4 | 11% | 0.11 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.6 | -31.4 | 169.5 | 78.3 | -108 | 0 | 0 | 0 | 114.6 | N481 V1037 G1038 Y1039 K1330 R1336 | N481-Y1332 WeakPolarHBondContact ND2-CE1 3.49Å; N481-Y1332 VanDerWaalsContact ND2-CZ 3.33Å; N481-Y1332 PolarHBondContact ND2-OH 2.91Å; N481-Y1332 VanDerWaalsContact ND2-OH 3.11Å; V1037-Y1332 WeakPolarHBondContact O-CD1 3.4Å; V1037-Y1332 PolarHBondContact O-N 3.39Å; G1038-Y1332 WeakPolarHBondContact O-CE1 3.28Å; Y1039-Y1332 AromaticContact CD1-CD1 3.53Å; Y1039-Y1332 HydrophobicContact CD1-CD1 3.53Å; Y1039-Y1332 HydrophobicContact CD1-CD2 4.24Å; Y1039-Y1332 AromaticContact CD1-CE1 3.67Å; Y1039-Y1332 HydrophobicContact CD1-CE1 3.67Å; Y1039-Y1332 HydrophobicContact CD1-CE2 4.4Å; Y1039-Y1332 AromaticContact CD1-CG 3.87Å; Y1039-Y1332 HydrophobicContact CD1-CG 3.87Å; Y1039-Y1332 HydrophobicContact CD2-CD1 4.25Å; Y1039-Y1332 HydrophobicContact CD2-CG 4.34Å; Y1039-Y1332 AromaticContact CE1-CD1 3.6Å; Y1039-Y1332 HydrophobicContact CE1-CD1 3.6Å; Y1039-Y1332 AromaticContact CE1-CD2 3.45Å; Y1039-Y1332 HydrophobicContact CE1-CD2 3.45Å; Y1039-Y1332 VanDerWaalsContact CE1-CD2 3.45Å; Y1039-Y1332 AromaticContact CE1-CE1 3.87Å; Y1039-Y1332 HydrophobicContact CE1-CE1 3.87Å; Y1039-Y1332 AromaticContact CE1-CE2 3.79Å; Y1039-Y1332 HydrophobicContact CE1-CE2 3.79Å; Y1039-Y1332 AromaticContact CE1-CG 3.42Å; Y1039-Y1332 HydrophobicContact CE1-CG 3.42Å; Y1039-Y1332 VanDerWaalsContact CE1-CG 3.42Å; Y1039-Y1332 HydrophobicContact CE2-CD1 4.3Å; Y1039-Y1332 AromaticContact CE2-CG 3.94Å; Y1039-Y1332 HydrophobicContact CE2-CG 3.94Å; Y1039-Y1332 AromaticContact CG-CD1 3.89Å; Y1039-Y1332 HydrophobicContact CG-CD1 3.89Å; Y1039-Y1332 HydrophobicContact CG-CE1 4.34Å; Y1039-Y1332 HydrophobicContact CG-CG 4.32Å; Y1039-Y1332 VanDerWaalsContact CZ-CB 3.48Å; Y1039-Y1332 AromaticContact CZ-CD1 4Å; Y1039-Y1332 AromaticContact CZ-CD2 3.64Å; Y1039-Y1332 AromaticContact CZ-CG 3.45Å; Y1039-Y1332 VanDerWaalsContact CZ-CG 3.45Å; K1330-Y1332 VanDerWaalsContact C-N 3.26Å; K1330-Y1332 HydrophobicContact CB-CD1 3.94Å; K1330-Y1332 HydrophobicContact CB-CE1 3.75Å; K1330-Y1332 HydrophobicContact CD-CD1 4.31Å; K1330-Y1332 HydrophobicContact CD-CE1 3.36Å; K1330-Y1332 WeakPolarHBondContact CD-OH 3.36Å; K1330-Y1332 HydrophobicContact CG-CE1 4.26Å; K1330-Y1332 PolarHBondContact NZ-OH 2.9Å; K1330-Y1332 PolarHBondContact O-N 3.27Å; Y1332-R1336 VanDerWaalsContact O-CB 3.32Å; Y1332-R1336 WeakPolarHBondContact O-CB 3.3Å; Y1332-R1336 PolarHBondContact O-N 3.04Å |
| 1333 | E | 82.9 | Confident | 69.2 | Low | 61 Ų | 61 | 89.7 Ų | 89.7 | 29% | 0.285 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.5 | -35.8 | 177.5 | -59.7 | 177.2 | -179.9 | 0 | 0 | 110.7 | R1329 K1330 D1331 D1337 | R1329-E1333 HydrophobicContact CB-CB 4.24Å; K1330-E1333 HydrophobicContact CB-CG 4.32Å; K1330-E1333 WeakPolarHBondContact O-CA 3.33Å; K1330-E1333 VanDerWaalsContact O-CB 3.3Å; K1330-E1333 WeakPolarHBondContact O-CB 3.3Å; K1330-E1333 PolarHBondContact O-N 3.43Å; D1331-E1333 VanDerWaalsContact C-N 3.26Å; D1331-E1333 PolarHBondContact O-N 3.13Å; E1333-D1337 WeakPolarHBondContact O-CB 3.34Å; E1333-D1337 PolarHBondContact O-N 3.39Å |
| 1334 | H | 82.5 | Confident | 69 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -47.9 | 172.3 | -171.5 | -82.1 | 0 | 0 | 0 | 110.9 | K1330 D1331 R1336 D1337 E1338 | K1330-H1334 PolarHBondContact O-N 3.22Å; D1331-H1334 PolarHBondContact O-N 3.02Å; D1331-H1334 VanDerWaalsContact O-N 3.12Å; H1334-R1336 VanDerWaalsContact C-N 3.31Å; H1334-R1336 PolarHBondContact O-N 3.14Å; H1334-D1337 PolarHBondContact O-N 2.67Å; H1334-E1338 VanDerWaalsContact O-CB 3.32Å; H1334-E1338 WeakPolarHBondContact O-CB 3.5Å; H1334-E1338 PolarHBondContact O-N 3.18Å |
| 1335 | I | 81.7 | Confident | 69.4 | Low | 18 Ų | 18 | 87.6 Ų | 87.6 | 9% | 0.092 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 178 | -66.6 | 159.1 | 0 | 0 | 0 | 110.9 | P1010 K1011 V1014 V1037 D1331 E1338 I1339 | P1010-I1335 HydrophobicContact CB-CD1 3.57Å; P1010-I1335 HydrophobicContact CB-CG1 4.49Å; K1011-I1335 HydrophobicContact CB-CG2 4.46Å; K1011-I1335 HydrophobicContact CG-CG2 3.93Å; V1014-I1335 HydrophobicContact CB-CG2 4.02Å; V1014-I1335 HydrophobicContact CG1-CG2 4.23Å; V1014-I1335 HydrophobicContact CG2-CB 4.2Å; V1014-I1335 HydrophobicContact CG2-CD1 4.39Å; V1014-I1335 HydrophobicContact CG2-CG2 3.86Å; V1037-I1335 HydrophobicContact CB-CD1 4.28Å; V1037-I1335 HydrophobicContact CG1-CD1 3.89Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.49Å; D1331-I1335 VanDerWaalsContact O-CG1 3.25Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.46Å; D1331-I1335 PolarHBondContact O-N 3.49Å; I1335-E1338 WeakPolarHBondContact O-CB 3.28Å; I1335-E1338 PolarHBondContact O-N 2.72Å; I1335-I1339 HydrophobicContact CG2-CD1 3.88Å; I1335-I1339 WeakPolarHBondContact O-CB 3.37Å; I1335-I1339 VanDerWaalsContact O-CG1 3.24Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; I1335-I1339 PolarHBondContact O-N 2.96Å |
| 1336 | R | 82.5 | Confident | 70.5 | Confident | 122 Ų | 122 | 79.3 Ų | 79.3 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.3 | -47.4 | 176.7 | -159.9 | -174.7 | 72.2 | 173.7 | 3.4 | 112.1 | V1014 Y1332 H1334 E1338 I1339 D1340 | V1014-R1336 HydrophobicContact CG1-CB 3.95Å; V1014-R1336 HydrophobicContact CG1-CG 4.31Å; Y1332-R1336 VanDerWaalsContact O-CB 3.32Å; Y1332-R1336 WeakPolarHBondContact O-CB 3.3Å; Y1332-R1336 PolarHBondContact O-N 3.04Å; H1334-R1336 VanDerWaalsContact C-N 3.31Å; H1334-R1336 PolarHBondContact O-N 3.14Å; R1336-E1338 PolarHBondContact O-N 2.91Å; R1336-I1339 PolarHBondContact O-N 3.15Å; R1336-D1340 IonicContact NE-OD2 2.71Å; R1336-D1340 WeakPolarHBondContact O-CB 3.21Å; R1336-D1340 PolarHBondContact O-N 2.67Å |
| 1337 | D | 78.2 | Confident | 71.4 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.6 | -33.4 | 173.9 | -89.6 | 42.8 | 0 | 0 | 0 | 111.9 | R1329 E1333 H1334 R1341 | R1329-D1337 IonicContact CZ-OD1 3.56Å; R1329-D1337 IonicContact CZ-OD2 2.88Å; R1329-D1337 IonicContact NH1-OD2 2.65Å; R1329-D1337 PolarHBondContact NH1-OD2 3.2Å; R1329-D1337 VanDerWaalsContact NH2-CG 3.31Å; R1329-D1337 IonicContact NH2-OD1 3.87Å; R1329-D1337 PolarHBondContact NH2-OD1 3.26Å; R1329-D1337 IonicContact NH2-OD2 3.99Å; R1329-D1337 PolarHBondContact NH2-OD2 3.19Å; E1333-D1337 WeakPolarHBondContact O-CB 3.34Å; E1333-D1337 PolarHBondContact O-N 3.39Å; H1334-D1337 PolarHBondContact O-N 2.67Å; D1337-R1341 WeakPolarHBondContact O-CB 3.47Å; D1337-R1341 WeakPolarHBondContact O-CD 3.43Å; D1337-R1341 WeakPolarHBondContact O-CG 3.47Å; D1337-R1341 PolarHBondContact O-N 2.91Å; D1337-R1341 VanDerWaalsContact O-N 3.08Å |
| 1338 | E | 82.1 | Confident | 72.3 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -47.7 | 174.7 | -167.5 | -158.2 | 145.9 | 0 | 0 | 111.6 | K1011 H1334 I1335 R1336 D1340 R1341 L1342 | K1011-E1338 WeakPolarHBondContact CE-OE1 3.45Å; K1011-E1338 IonicContact NZ-OE1 2.59Å; K1011-E1338 PolarHBondContact NZ-OE1 3.23Å; H1334-E1338 VanDerWaalsContact O-CB 3.32Å; H1334-E1338 WeakPolarHBondContact O-CB 3.5Å; H1334-E1338 PolarHBondContact O-N 3.18Å; I1335-E1338 WeakPolarHBondContact O-CB 3.28Å; I1335-E1338 PolarHBondContact O-N 2.72Å; R1336-E1338 PolarHBondContact O-N 2.91Å; E1338-D1340 VanDerWaalsContact C-N 3.33Å; E1338-D1340 PolarHBondContact O-N 2.83Å; E1338-R1341 WeakPolarHBondContact O-CB 3.12Å; E1338-R1341 PolarHBondContact O-N 2.63Å; E1338-L1342 HydrophobicContact CG-CD1 4.05Å; E1338-L1342 WeakPolarHBondContact O-CB 3.3Å; E1338-L1342 WeakPolarHBondContact O-CG 3.46Å; E1338-L1342 PolarHBondContact O-N 3.39Å |
| 1339 | I | 78.5 | Confident | 73 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 174 | -72 | 167 | 0 | 0 | 0 | 110.7 | F989 K1011 K1015 I1335 R1336 R1341 L1342 A1343 W1346 | F989-I1339 HydrophobicContact CE1-CG2 4.36Å; F989-I1339 HydrophobicContact CZ-CG2 3.88Å; K1011-I1339 HydrophobicContact CB-CD1 4.16Å; K1011-I1339 HydrophobicContact CG-CD1 4.3Å; K1011-I1339 HydrophobicContact CG-CG1 4.49Å; K1015-I1339 HydrophobicContact CG-CD1 4.13Å; K1015-I1339 HydrophobicContact CG-CG2 4.39Å; I1335-I1339 HydrophobicContact CG2-CD1 3.88Å; I1335-I1339 WeakPolarHBondContact O-CB 3.37Å; I1335-I1339 VanDerWaalsContact O-CG1 3.24Å; I1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; I1335-I1339 PolarHBondContact O-N 2.96Å; R1336-I1339 PolarHBondContact O-N 3.15Å; I1339-R1341 VanDerWaalsContact C-N 3.28Å; I1339-R1341 PolarHBondContact O-N 2.99Å; I1339-L1342 CarbonylContact O-C 3.59Å; I1339-L1342 PolarHBondContact O-N 2.83Å; I1339-A1343 WeakPolarHBondContact O-CB 3.26Å; I1339-A1343 PolarHBondContact O-N 2.96Å; I1339-W1346 HydrophobicContact CB-CE3 4.31Å; I1339-W1346 HydrophobicContact CB-CZ3 4.27Å; I1339-W1346 HydrophobicContact CD1-CE3 4.41Å; I1339-W1346 HydrophobicContact CD1-CH2 4.04Å; I1339-W1346 HydrophobicContact CD1-CZ3 3.68Å; I1339-W1346 HydrophobicContact CG1-CE3 3.82Å; I1339-W1346 HydrophobicContact CG1-CH2 4.29Å; I1339-W1346 HydrophobicContact CG1-CZ3 3.59Å; I1339-W1346 HydrophobicContact CG2-CE3 3.85Å; I1339-W1346 HydrophobicContact CG2-CZ3 3.72Å |
| 1340 | D | 75.2 | Confident | 73 | Confident | 55 Ų | 55 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.2 | -24.7 | -178.3 | -63.3 | -25.5 | 0 | 0 | 0 | 112.3 | R986 K1015 R1336 E1338 | R986-D1340 PolarHBondContact NH1-O 3.17Å; R986-D1340 PolarHBondContact NH2-O 3.22Å; K1015-D1340 IonicContact NZ-OD1 3.71Å; R1336-D1340 IonicContact NE-OD2 2.71Å; R1336-D1340 WeakPolarHBondContact O-CB 3.21Å; R1336-D1340 PolarHBondContact O-N 2.67Å; E1338-D1340 VanDerWaalsContact C-N 3.33Å; E1338-D1340 PolarHBondContact O-N 2.83Å |
| 1341 | R | 74.2 | Confident | 71.8 | Confident | 189 Ų | 189 | 72.2 Ų | 72.2 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -75.8 | -42.2 | 168 | -73.6 | 165.2 | -172.5 | -163.2 | 2.9 | 112.5 | D1337 E1338 I1339 A1343 | D1337-R1341 WeakPolarHBondContact O-CB 3.47Å; D1337-R1341 WeakPolarHBondContact O-CD 3.43Å; D1337-R1341 WeakPolarHBondContact O-CG 3.47Å; D1337-R1341 PolarHBondContact O-N 2.91Å; D1337-R1341 VanDerWaalsContact O-N 3.08Å; E1338-R1341 WeakPolarHBondContact O-CB 3.12Å; E1338-R1341 PolarHBondContact O-N 2.63Å; I1339-R1341 VanDerWaalsContact C-N 3.28Å; I1339-R1341 PolarHBondContact O-N 2.99Å; R1341-A1343 VanDerWaalsContact C-N 3.26Å; R1341-A1343 PolarHBondContact O-N 2.86Å |
| 1342 | L | 72.1 | Confident | 70.1 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.4 | -9.8 | 178.7 | -69.2 | 173 | 0 | 0 | 0 | 113.3 | E1338 I1339 G1344 V1345 W1346 | E1338-L1342 HydrophobicContact CG-CD1 4.05Å; E1338-L1342 WeakPolarHBondContact O-CB 3.3Å; E1338-L1342 WeakPolarHBondContact O-CG 3.46Å; E1338-L1342 PolarHBondContact O-N 3.39Å; I1339-L1342 CarbonylContact O-C 3.59Å; I1339-L1342 PolarHBondContact O-N 2.83Å; L1342-G1344 PolarHBondContact O-N 2.98Å; L1342-V1345 WeakPolarHBondContact O-CA 3.36Å; L1342-V1345 PolarHBondContact O-N 3.17Å; L1342-W1346 HydrophobicContact CB-CB 3.82Å; L1342-W1346 HydrophobicContact CD1-CB 4.29Å; L1342-W1346 PolarHBondContact O-N 2.84Å |
| 1343 | A | 63.9 | Low | 67.9 | Low | 23 Ų | 23 | 71.7 Ų | 71.7 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -59.1 | 106.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R986 I1339 R1341 | R986-A1343 PolarHBondContact NH2-O 3.44Å; I1339-A1343 WeakPolarHBondContact O-CB 3.26Å; I1339-A1343 PolarHBondContact O-N 2.96Å; R1341-A1343 VanDerWaalsContact C-N 3.26Å; R1341-A1343 PolarHBondContact O-N 2.86Å |
| 1344 | G | 60.3 | Low | 66.1 | Low | 81 Ų | 81 | 71 Ų | 71 | 84% | 0.835 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.7 | -22.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113 | L1342 | L1342-G1344 PolarHBondContact O-N 2.98Š|
| 1345 | V | 65.7 | Low | 64.4 | Low | 114 Ų | 114 | 67 Ų | 67 | 69% | 0.691 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -41.1 | 170.7 | -177 | 0 | 0 | 0 | 0 | 110.5 | L1342 P1347 | L1342-V1345 WeakPolarHBondContact O-CA 3.36Å; L1342-V1345 PolarHBondContact O-N 3.17Å; V1345-P1347 CarbonylContact O-C 3.59Å |
| 1346 | W | 66.3 | Low | 62.8 | Low | 28 Ų | 28 | 73.1 Ų | 73.1 | 11% | 0.106 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 140.9 | 174.9 | -165.4 | 89.9 | 0 | 0 | 0 | 111.5 | F842 F989 L991 K1011 I1339 L1342 | F842-W1346 HydrophobicContact CE1-CZ2 4.39Å; F842-W1346 HydrophobicContact CZ-CZ2 4.31Å; F989-W1346 HydrophobicContact CE2-CZ3 4.3Å; F989-W1346 HydrophobicContact CZ-CE3 4.46Å; F989-W1346 HydrophobicContact CZ-CZ3 4.12Å; L991-W1346 HydrophobicContact CD1-CH2 3.9Å; K1011-W1346 HydrophobicContact CB-CH2 3.87Å; K1011-W1346 HydrophobicContact CB-CZ2 3.75Å; K1011-W1346 HydrophobicContact CD-CZ2 4.32Å; I1339-W1346 HydrophobicContact CB-CE3 4.31Å; I1339-W1346 HydrophobicContact CB-CZ3 4.27Å; I1339-W1346 HydrophobicContact CD1-CE3 4.41Å; I1339-W1346 HydrophobicContact CD1-CH2 4.04Å; I1339-W1346 HydrophobicContact CD1-CZ3 3.68Å; I1339-W1346 HydrophobicContact CG1-CE3 3.82Å; I1339-W1346 HydrophobicContact CG1-CH2 4.29Å; I1339-W1346 HydrophobicContact CG1-CZ3 3.59Å; I1339-W1346 HydrophobicContact CG2-CE3 3.85Å; I1339-W1346 HydrophobicContact CG2-CZ3 3.72Å; L1342-W1346 HydrophobicContact CB-CB 3.82Å; L1342-W1346 HydrophobicContact CD1-CB 4.29Å; L1342-W1346 PolarHBondContact O-N 2.84Å |
| 1347 | P | 66.4 | Low | 61 | Low | 12 Ų | 12 | 70.1 Ų | 70.1 | 8% | 0.078 | 39% | 0.388 | C | S | . | . | S | Bend | cis | -63.2 | 149.1 | -12.9 | 27.9 | -34.5 | 0 | 0 | 0 | 111.3 | I751 F842 F989 V1345 I1349 | I751-P1347 HydrophobicContact CD1-CG 3.66Å; F842-P1347 HydrophobicContact CB-CB 4.07Å; F842-P1347 HydrophobicContact CD1-CB 3.48Å; F842-P1347 VanDerWaalsContact CD1-CB 3.48Å; F842-P1347 HydrophobicContact CD1-CG 4.41Å; F842-P1347 HydrophobicContact CD2-CB 4.17Å; F842-P1347 HydrophobicContact CE1-CB 3.86Å; F842-P1347 HydrophobicContact CG-CB 3.64Å; F842-P1347 HydrophobicContact CZ-CB 4.36Å; F989-P1347 HydrophobicContact CE2-CG 4.13Å; F989-P1347 HydrophobicContact CZ-CG 4.46Å; V1345-P1347 CarbonylContact O-C 3.59Å; P1347-I1349 VanDerWaalsContact C-N 3.32Å; P1347-I1349 HydrophobicContact CG-CG1 4.16Å; P1347-I1349 WeakPolarHBondContact O-CG1 3.39Å; P1347-I1349 PolarHBondContact O-N 3.25Å |
| 1348 | P | 65.4 | Low | 60 | Low | 45 Ų | 45 | 68.9 Ų | 68.9 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | trans | -72.5 | 86.2 | 175.4 | 29.2 | -33.7 | 0 | 0 | 0 | 110 | F842 I1350 | F842-P1348 HydrophobicContact CD2-CG 3.86Å; F842-P1348 HydrophobicContact CE2-CG 4.14Å; P1348-I1350 PolarHBondContact O-N 2.95Å | ||
| 1349 | I | 62.4 | Low | 58.6 | Low | 82 Ų | 82 | 67.5 Ų | 67.5 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 117.5 | -174.1 | -53.3 | -178.5 | 0 | 0 | 0 | 110.8 | I751 P1347 | I751-I1349 HydrophobicContact CD1-CD1 3.86Å; I751-I1349 HydrophobicContact CD1-CG1 4.29Å; P1347-I1349 VanDerWaalsContact C-N 3.32Å; P1347-I1349 HydrophobicContact CG-CG1 4.16Å; P1347-I1349 WeakPolarHBondContact O-CG1 3.39Å; P1347-I1349 PolarHBondContact O-N 3.25Å |
| 1350 | I | 57.9 | Low | 57.5 | Low | 75 Ų | 75 | 74.7 Ų | 74.7 | 39% | 0.385 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.3 | 166.3 | -57.3 | 179.6 | 0 | 0 | 0 | 107.8 | E841 F842 P1348 S1352 | E841-I1350 HydrophobicContact CB-CD1 4.06Å; E841-I1350 HydrophobicContact CG-CD1 3.83Å; F842-I1350 PolarHBondContact O-N 2.9Å; P1348-I1350 PolarHBondContact O-N 2.95Å; I1350-S1352 VanDerWaalsContact C-N 3.27Å; I1350-S1352 PolarHBondContact O-N 3.34Å |
| 1351 | R | 47.4 | Very low | 56.5 | Low | 229 Ų | 229 | 77.2 Ų | 77.2 | 86% | 0.864 | 41% | 0.414 | S | S | * | . | trans | -75.4 | 76.4 | 173.9 | -77.3 | -174.5 | 170.4 | -178.4 | -4.4 | 111.1 | ||||
| 1352 | S | 41.9 | Very low | 55.7 | Low | 24 Ų | 24 | 68.5 Ų | 68.5 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | trans | -73.5 | 128.5 | 167.3 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | I1350 | I1350-S1352 VanDerWaalsContact C-N 3.27Å; I1350-S1352 PolarHBondContact O-N 3.34Å | ||
| 1353 | A | 37.7 | Very low | 55.1 | Low | 80 Ų | 80 | 67 Ų | 67 | 66% | 0.661 | 37% | 0.373 | S | S | * | . | trans | -88.6 | 119.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1357 | A1353-A1357 WeakPolarHBondContact O-CB 3.39Š| ||
| 1354 | S | 46 | Very low | 54.4 | Low | 48 Ų | 48 | 67.6 Ų | 67.6 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 65.9 | 153.5 | -174.9 | 82.9 | 0 | 0 | 0 | 0 | 116.5 | D847 Q1356 A1357 | D847-S1354 WeakPolarHBondContact OD1-CA 3.41Å; D847-S1354 VanDerWaalsContact OD2-CA 3.29Å; D847-S1354 WeakPolarHBondContact OD2-CA 3.37Å; D847-S1354 WeakPolarHBondContact OD2-CB 3.43Å; S1354-Q1356 PolarHBondContact O-N 2.66Å; S1354-Q1356 PolarHBondContact OG-N 2.75Å; S1354-A1357 PolarHBondContact O-N 3.49Å; S1354-A1357 VanDerWaalsContact O-N 3.1Å |
| 1355 | V | 47.6 | Very low | 53.4 | Low | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.152 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -60 | -25.9 | 173.9 | 164.9 | 0 | 0 | 0 | 0 | 112 | D847 A1357 L1358 | D847-V1355 HydrophobicContact CB-CG2 3.89Å; D847-V1355 PolarHBondContact OD2-N 3.48Å; V1355-A1357 PolarHBondContact O-N 3.2Å; V1355-L1358 HydrophobicContact CB-CD1 4.32Å; V1355-L1358 HydrophobicContact CG1-CD1 4.19Å; V1355-L1358 HydrophobicContact CG2-CD1 4.28Å; V1355-L1358 WeakPolarHBondContact O-CB 3.38Å; V1355-L1358 PolarHBondContact O-N 3.01Å |
| 1356 | Q | 46.5 | Very low | 51.9 | Low | 146 Ų | 146 | 66.3 Ų | 66.3 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -70 | -17.1 | 177.7 | -64.2 | 177.8 | -16.3 | 0 | 0 | 113.3 | S1354 | S1354-Q1356 PolarHBondContact O-N 2.66Å; S1354-Q1356 PolarHBondContact OG-N 2.75Å |
| 1357 | A | 45.8 | Very low | 50.5 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -95.9 | 2.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1353 S1354 V1355 | A1353-A1357 WeakPolarHBondContact O-CB 3.39Å; S1354-A1357 PolarHBondContact O-N 3.49Å; S1354-A1357 VanDerWaalsContact O-N 3.1Å; V1355-A1357 PolarHBondContact O-N 3.2Å |
| 1358 | L | 56.1 | Low | 48.8 | Very low | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -69.7 | 146.8 | 171.4 | -69.3 | 169.8 | 0 | 0 | 0 | 110.4 | L752 H843 V1355 R1360 F1363 | L752-L1358 HydrophobicContact CD1-CD1 3.72Å; L752-L1358 HydrophobicContact CD1-CD2 4.37Å; H843-L1358 HydrophobicContact CB-CD2 3.39Å; V1355-L1358 HydrophobicContact CB-CD1 4.32Å; V1355-L1358 HydrophobicContact CG1-CD1 4.19Å; V1355-L1358 HydrophobicContact CG2-CD1 4.28Å; V1355-L1358 WeakPolarHBondContact O-CB 3.38Å; V1355-L1358 PolarHBondContact O-N 3.01Å; L1358-R1360 PolarHBondContact O-N 3.17Å; L1358-F1363 HydrophobicContact CB-CE2 4.03Å; L1358-F1363 HydrophobicContact CD1-CE2 4.14Å; L1358-F1363 HydrophobicContact CD1-CZ 3.96Å |
| 1359 | P | 54.4 | Low | 47.1 | Very low | 29 Ų | 29 | 76.5 Ų | 76.5 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | trans | -56.1 | 123.3 | 174.4 | -24.6 | 33.7 | 0 | 0 | 0 | 111.4 | E1361 L1362 | P1359-E1361 PolarHBondContact O-N 3.24Å; P1359-L1362 WeakPolarHBondContact O-CB 3.41Å; P1359-L1362 PolarHBondContact O-N 3.34Å | ||
| 1360 | R | 53.5 | Low | 45.5 | Very low | 151 Ų | 151 | 74.4 Ų | 74.4 | 57% | 0.57 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -56.1 | -26.1 | 176.6 | -70.8 | -172.6 | 175.9 | -153.7 | -5.4 | 112.5 | H653 L1358 L1362 F1363 N1364 | H653-R1360 PolarHBondContact NE2-NH2 3.41Å; L1358-R1360 PolarHBondContact O-N 3.17Å; R1360-L1362 PolarHBondContact O-N 2.97Å; R1360-F1363 PolarHBondContact O-N 2.85Å; R1360-F1363 VanDerWaalsContact O-N 3.12Å; R1360-N1364 PolarHBondContact O-N 2.89Å |
| 1361 | E | 56.2 | Low | 44.1 | Very low | 107 Ų | 107 | 77.5 Ų | 77.5 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -62.8 | -15.3 | 174 | -65 | -170.1 | -112 | 0 | 0 | 115.8 | K996 P1359 | K996-E1361 IonicContact NZ-OE2 3.02Å; K996-E1361 PolarHBondContact NZ-OE2 2.87Å; P1359-E1361 PolarHBondContact O-N 3.24Å |
| 1362 | L | 56 | Low | 43.2 | Very low | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -73.9 | -17.1 | 173.3 | -112.2 | 164.8 | 0 | 0 | 0 | 112.5 | L752 P1359 R1360 | L752-L1362 HydrophobicContact CB-CD1 4.28Å; P1359-L1362 WeakPolarHBondContact O-CB 3.41Å; P1359-L1362 PolarHBondContact O-N 3.34Å; R1360-L1362 PolarHBondContact O-N 2.97Å |
| 1363 | F | 60.1 | Low | 42.6 | Very low | 31 Ų | 31 | 73.2 Ų | 73.2 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -35.1 | -173.1 | -54.5 | -72.1 | 0 | 0 | 0 | 112.6 | M731 L732 L752 L1358 R1360 | M731-F1363 HydrophobicContact CB-CD1 4.41Å; M731-F1363 HydrophobicContact CB-CE1 4.32Å; M731-F1363 HydrophobicContact CG-CE1 4.47Å; L732-F1363 HydrophobicContact CD1-CE1 4.37Å; L732-F1363 HydrophobicContact CD2-CE1 3.86Å; L732-F1363 HydrophobicContact CD2-CZ 4.4Å; L732-F1363 HydrophobicContact CG-CD1 4.28Å; L732-F1363 HydrophobicContact CG-CE1 3.89Å; L752-F1363 HydrophobicContact CD1-CZ 4.45Å; L1358-F1363 HydrophobicContact CB-CE2 4.03Å; L1358-F1363 HydrophobicContact CD1-CE2 4.14Å; L1358-F1363 HydrophobicContact CD1-CZ 3.96Å; R1360-F1363 PolarHBondContact O-N 2.85Å; R1360-F1363 VanDerWaalsContact O-N 3.12Å |
| 1364 | N | 48.1 | Very low | 42.2 | Very low | 35 Ų | 35 | 75.9 Ų | 75.9 | 19% | 0.187 | 42% | 0.415 | C | S | . | . | trans | -105 | 137.6 | -174.8 | -59 | 23.8 | 0 | 0 | 0 | 112.5 | R1360 | R1360-N1364 PolarHBondContact O-N 2.89Š| ||
| 1365 | E | 39.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 78.4 Ų | 78.4 | 34% | 0.336 | 43% | 0.428 | S | S | . | . | trans | -79.4 | 123.6 | 160 | -79.7 | -177.9 | 135.8 | 0 | 0 | 108.9 | R1023 | R1023-E1365 IonicContact CZ-OE1 2.68Å; R1023-E1365 IonicContact NH2-OE1 3.51Å; R1023-E1365 PolarHBondContact NH2-OE1 2.99Å | ||
| 1366 | C | 34.4 | Very low | 40.5 | Very low | 97 Ų | 97 | 80.6 Ų | 80.6 | 66% | 0.655 | 44% | 0.444 | S | S | * | . | trans | -141 | 120.7 | 163.2 | -87.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1367 | D | 36.3 | Very low | 39.6 | Very low | 100 Ų | 100 | 82.5 Ų | 82.5 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | trans | -79.5 | 134.2 | -163.5 | -77.2 | -49.5 | 0 | 0 | 0 | 114.3 | V1369 G1370 | D1367-V1369 HydrophobicContact CB-CB 4.14Å; D1367-V1369 HydrophobicContact CB-CG2 4.11Å; D1367-V1369 PolarHBondContact O-N 2.83Å; D1367-V1369 VanDerWaalsContact O-N 3.15Å; D1367-G1370 PolarHBondContact O-N 3.29Å | ||
| 1368 | V | 31 | Very low | 38.8 | Very low | 96 Ų | 96 | 88.6 Ų | 88.6 | 58% | 0.582 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.7 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | G1370 Q1371 | V1368-G1370 PolarHBondContact O-N 2.87Å; V1368-Q1371 PolarHBondContact O-N 3.02Å |
| 1369 | V | 31.2 | Very low | 37.4 | Very low | 103 Ų | 103 | 98.1 Ų | 98.1 | 62% | 0.624 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -49 | -33.5 | 172.7 | -177 | 0 | 0 | 0 | 0 | 112.1 | D1367 Q1371 I1372 A1373 | D1367-V1369 HydrophobicContact CB-CB 4.14Å; D1367-V1369 HydrophobicContact CB-CG2 4.11Å; D1367-V1369 PolarHBondContact O-N 2.83Å; D1367-V1369 VanDerWaalsContact O-N 3.15Å; V1369-Q1371 VanDerWaalsContact C-N 3.33Å; V1369-Q1371 PolarHBondContact O-N 3.06Å; V1369-I1372 PolarHBondContact O-N 2.96Å; V1369-A1373 PolarHBondContact O-N 3.49Å; V1369-A1373 VanDerWaalsContact O-N 3.12Å |
| 1370 | G | 28.5 | Very low | 36 | Very low | 37 Ų | 37 | 105.5 Ų | 105.5 | 38% | 0.381 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1367 V1368 Q1374 | D1367-G1370 PolarHBondContact O-N 3.29Å; V1368-G1370 PolarHBondContact O-N 2.87Å; G1370-Q1374 WeakPolarHBondContact O-CG 3.42Å; G1370-Q1374 PolarHBondContact O-N 2.75Å |
| 1371 | Q | 27.8 | Very low | 34.7 | Very low | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.9 | -34.2 | -178 | -71.7 | -172.6 | -13.3 | 0 | 0 | 112.6 | V1368 V1369 Q1374 T1375 | V1368-Q1371 PolarHBondContact O-N 3.02Å; V1369-Q1371 VanDerWaalsContact C-N 3.33Å; V1369-Q1371 PolarHBondContact O-N 3.06Å; Q1371-Q1374 PolarHBondContact O-N 3.32Å; Q1371-T1375 PolarHBondContact O-N 3.2Å; Q1371-T1375 PolarHBondContact O-OG1 2.89Å |
| 1372 | I | 29.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 104.7 Ų | 104.7 | 61% | 0.61 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -45.2 | 171.3 | -58.5 | 178.6 | 0 | 0 | 0 | 109.2 | V1369 Q1374 T1375 S1376 | V1369-I1372 PolarHBondContact O-N 2.96Å; I1372-Q1374 PolarHBondContact O-N 3.38Å; I1372-T1375 PolarHBondContact O-N 2.94Å; I1372-S1376 PolarHBondContact O-N 2.74Å; I1372-S1376 PolarHBondContact O-OG 2.96Å |
| 1373 | A | 28.6 | Very low | 31.8 | Very low | 44 Ų | 44 | 115 Ų | 115 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.7 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1369 S1376 R1377 | V1369-A1373 PolarHBondContact O-N 3.49Å; V1369-A1373 VanDerWaalsContact O-N 3.12Å; A1373-S1376 PolarHBondContact O-N 2.84Å; A1373-R1377 WeakPolarHBondContact O-CG 3.11Å; A1373-R1377 PolarHBondContact O-N 3.06Å |
| 1374 | Q | 28.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.5 | -35.5 | 175.3 | -77 | -174.9 | -1.2 | 0 | 0 | 113 | G1370 Q1371 I1372 R1377 K1378 | G1370-Q1374 WeakPolarHBondContact O-CG 3.42Å; G1370-Q1374 PolarHBondContact O-N 2.75Å; Q1371-Q1374 PolarHBondContact O-N 3.32Å; I1372-Q1374 PolarHBondContact O-N 3.38Å; Q1374-R1377 PolarHBondContact O-N 3.14Å; Q1374-K1378 PolarHBondContact O-N 2.85Å |
| 1375 | T | 29.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 176 | -52.6 | 0 | 0 | 0 | 0 | 111 | Q1371 I1372 K1378 | Q1371-T1375 PolarHBondContact O-N 3.2Å; Q1371-T1375 PolarHBondContact O-OG1 2.89Å; I1372-T1375 PolarHBondContact O-N 2.94Å; T1375-K1378 PolarHBondContact O-N 2.73Å |
| 1376 | S | 29 | Very low | 28.2 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 49% | 0.49 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -67.3 | -38.3 | 172.5 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | I1372 A1373 K1378 R1379 Y1380 | I1372-S1376 PolarHBondContact O-N 2.74Å; I1372-S1376 PolarHBondContact O-OG 2.96Å; A1373-S1376 PolarHBondContact O-N 2.84Å; S1376-K1378 PolarHBondContact O-N 3.19Å; S1376-R1379 PolarHBondContact O-N 2.75Å; S1376-Y1380 PolarHBondContact O-N 3.16Å |
| 1377 | R | 28 | Very low | 27.9 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.8 | -27.9 | 175.7 | -82.1 | 178.1 | 171.8 | 168.5 | -0.4 | 113.4 | A1373 Q1374 R1379 | A1373-R1377 WeakPolarHBondContact O-CG 3.11Å; A1373-R1377 PolarHBondContact O-N 3.06Å; Q1374-R1377 PolarHBondContact O-N 3.14Å; R1377-R1379 VanDerWaalsContact C-N 3.31Å; R1377-R1379 PolarHBondContact O-N 3.36Å |
| 1378 | K | 28.2 | Very low | 27.4 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 81% | 0.809 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.7 | -8.2 | 171.7 | -78.9 | -170.3 | 174.5 | -177.7 | 0 | 115 | Q1374 T1375 S1376 | Q1374-K1378 PolarHBondContact O-N 2.85Å; T1375-K1378 PolarHBondContact O-N 2.73Å; S1376-K1378 PolarHBondContact O-N 3.19Å |
| 1379 | R | 26.7 | Very low | 27.2 | Very low | 212 Ų | 212 | 133.9 Ų | 133.9 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -100.5 | -20.7 | 170.9 | -80.7 | -177.1 | 170.2 | 166.9 | -2.1 | 114.1 | S1376 R1377 S1382 | S1376-R1379 PolarHBondContact O-N 2.75Å; R1377-R1379 VanDerWaalsContact C-N 3.31Å; R1377-R1379 PolarHBondContact O-N 3.36Å; R1379-S1382 PolarHBondContact O-OG 3.23Å |
| 1380 | Y | 25.6 | Very low | 26.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -78.2 | -35.9 | -179.5 | -135.9 | -96 | 0 | 0 | 0 | 112.6 | S1376 S1382 | S1376-Y1380 PolarHBondContact O-N 3.16Å; Y1380-S1382 PolarHBondContact O-N 2.9Å |
| 1381 | N | 26.5 | Very low | 26.8 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 31.2 | -179.7 | -70 | 18.2 | 0 | 0 | 0 | 114.1 | ||
| 1382 | S | 25.8 | Very low | 26.8 | Very low | 87 Ų | 87 | 141 Ų | 141 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 16.1 | 178.8 | 74.2 | 0 | 0 | 0 | 0 | 114.6 | R1379 Y1380 | R1379-S1382 PolarHBondContact O-OG 3.23Å; Y1380-S1382 PolarHBondContact O-N 2.9Å |
| 1383 | R | 24.9 | Very low | 26.7 | Very low | 222 Ų | 222 | 141 Ų | 141 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -148.1 | 54.9 | 177.3 | -73.5 | -167.6 | 172.8 | -176.1 | -3.1 | 112.6 | ||
| 1384 | L | 25.7 | Very low | 26.7 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | trans | -160.5 | 91.5 | 167.9 | -115 | 141.4 | 0 | 0 | 0 | 108.6 | ||||
| 1385 | S | 22.4 | Very low | 26.7 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -160.8 | 45.2 | -177.4 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1386 | T | 24.7 | Very low | 26.4 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -146.5 | 149.8 | 163.6 | 44.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1387 | D | 28.5 | Very low | 26.3 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 148.2 | 174.1 | -46 | -19.9 | 0 | 0 | 0 | 116.3 | ||||
| 1388 | S | 24.8 | Very low | 26.3 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -158.2 | 164.9 | -147.7 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1389 | E | 26.3 | Very low | 26.1 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | 68 | 148 | 171.2 | -62.7 | 159.9 | -168.6 | 0 | 0 | 114.6 | ||||
| 1390 | S | 24.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | cis | -143.7 | 168.5 | -13.9 | 52.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1391 | D | 28.5 | Very low | 26.3 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -163.5 | 167.4 | 66.3 | -75.9 | -29.9 | 0 | 0 | 0 | 112 | |||||
| 1392 | E | 27.2 | Very low | 26.3 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -88.8 | 175.1 | 172.8 | -53.9 | -168.8 | 115.7 | 0 | 0 | 110.6 | ||||
| 1393 | D | 27.4 | Very low | 26.1 | Very low | 119 Ų | 119 | 144 Ų | 144 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -143.6 | 162.4 | 23.8 | -109 | -57.3 | 0 | 0 | 0 | 109.2 | ||||
| 1394 | F | 28.2 | Very low | 26.3 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | -162.4 | 128.2 | 60.4 | -126.5 | -91.9 | 0 | 0 | 0 | 112.1 | |||||
| 1395 | I | 27.9 | Very low | 26.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | trans | 15.2 | 113.2 | 139.6 | -48.7 | 176 | 0 | 0 | 0 | 116.2 | ||||
| 1396 | S | 23.3 | Very low | 26.2 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | 91.4 | 126.8 | 36.5 | 90.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1397 | V | 27 | Very low | 26.1 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | -141.4 | 135.8 | 156.5 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1398 | T | 27.9 | Very low | 25.9 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -100.1 | -179.1 | -174.3 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1399 | S | 24.9 | Very low | 26 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | cis | -152.9 | 173.9 | 15.3 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1400 | E | 27.8 | Very low | 25.9 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 67.6 | 142 | 158.5 | -71.2 | 148.7 | -151.6 | 0 | 0 | 117.8 | ||||
| 1401 | E | 29 | Very low | 25.9 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | cis | -135.5 | 176.5 | 8.3 | -137.2 | -178.6 | 172.9 | 0 | 0 | 112.5 | ||||
| 1402 | K | 25.6 | Very low | 25.9 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | -108.6 | 133.2 | -163.9 | -77.8 | 179.4 | 176.7 | 173.7 | 0 | 116.8 | ||||
| 1403 | A | 22.7 | Very low | 25.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 24 | 107.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1404 | V | 27.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -150.3 | 132.3 | 157.9 | 179.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1405 | L | 25.6 | Very low | 25.7 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | cis | -150.4 | 170.1 | -10.7 | 175.3 | 58.8 | 0 | 0 | 0 | 107.2 | ||||
| 1406 | C | 21.7 | Very low | 25.6 | Very low | 100 Ų | 100 | 140 Ų | 140 | 68% | 0.676 | 77% | 0.774 | S | S | * | * | trans | -133.9 | 131.6 | -176.4 | -153.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1407 | N | 21.9 | Very low | 25.8 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 63.2 | 158.8 | 158.3 | -70.6 | -23.1 | 0 | 0 | 0 | 122.1 | ||||
| 1408 | S | 24.7 | Very low | 25.6 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 76.5 | 147.5 | 163.8 | 78.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1409 | L | 26 | Very low | 25.5 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | cis | -157.7 | 163.9 | -13.2 | -117.3 | 171.3 | 0 | 0 | 0 | 111.8 | ||||
| 1410 | H | 25.6 | Very low | 25.8 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | 11.3 | 140.7 | 163.8 | -77 | -0.9 | 0 | 0 | 0 | 125.6 | ||||
| 1411 | D | 23.8 | Very low | 25.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | trans | 58.6 | 116.9 | 133.2 | -51.7 | -12.7 | 0 | 0 | 0 | 122.5 | ||||
| 1412 | N | 28.9 | Very low | 25.4 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | -162.5 | 172.9 | 89 | -110.5 | -76.3 | 0 | 0 | 0 | 116.5 | |||||
| 1413 | N | 24.6 | Very low | 25.2 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -76.7 | -175.3 | -162.9 | -71 | -84.1 | 0 | 0 | 0 | 117.1 | ||||
| 1414 | I | 28.7 | Very low | 25.2 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | 95.5 | 135.5 | 164.1 | -55.2 | 170.4 | 0 | 0 | 0 | 114.9 | ||||
| 1415 | V | 25.9 | Very low | 25.1 | Very low | 112 Ų | 112 | 141 Ų | 141 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | cis | 179.3 | 135.3 | -40.3 | 135.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1416 | H | 25.4 | Very low | 25 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 164.9 | 173.9 | -68.9 | -40.1 | 0 | 0 | 0 | 116.1 | ||||
| 1417 | Q | 26.4 | Very low | 25.2 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | cis | -144.4 | -176.4 | -3.4 | -138.2 | 166.2 | -7 | 0 | 0 | 111.9 | ||||
| 1418 | Q | 23.7 | Very low | 25.5 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -90.9 | 154.6 | -175.5 | -55 | 153 | -66.8 | 0 | 0 | 113.1 | ||||
| 1419 | V | 24.7 | Very low | 25.5 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | 168.9 | 144.3 | 118.9 | 153.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1420 | P | 32.9 | Very low | 25.5 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | -123.5 | -176.8 | -172.4 | 44.3 | -32.9 | 0 | 0 | 0 | 116.4 | ||||
| 1421 | L | 24 | Very low | 25.6 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 74 | 145 | 168.8 | -58.3 | 165.7 | 0 | 0 | 0 | 115.5 | ||||
| 1422 | H | 23.2 | Very low | 25.8 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 65% | 0.648 | 75% | 0.75 | S | S | * | * | cis | -159.5 | 160.7 | 31.8 | -124.4 | -64.4 | 0 | 0 | 0 | 113.8 | ||||
| 1423 | Y | 22.7 | Very low | 25.6 | Very low | 185 Ų | 185 | 138 Ų | 138 | 73% | 0.725 | 74% | 0.742 | S | S | * | * | trans | 62.8 | 132.2 | 152 | -85.9 | -65.4 | 0 | 0 | 0 | 123.4 | ||||
| 1424 | N | 21.5 | Very low | 25.7 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 67 | 151 | 151.9 | -71.5 | -9.1 | 0 | 0 | 0 | 117.6 | ||||
| 1425 | S | 25.3 | Very low | 25.5 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | cis | -155.5 | 156.6 | 1.5 | 40.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1426 | Q | 23.5 | Very low | 25.9 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | 57.5 | 120.7 | 145.3 | -72.9 | 171.5 | -30.7 | 0 | 0 | 121.1 | ||||
| 1427 | S | 25.1 | Very low | 25.8 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | -57 | 153.7 | 151.3 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1428 | P | 29.4 | Very low | 25.8 | Very low | 138 Ų | 138 | 134 Ų | 134 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | trans | -89.8 | 104.2 | 155.7 | 33.4 | -27.7 | 0 | 0 | 0 | 111.1 | ||||
| 1429 | S | 24 | Very low | 25.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | -110.1 | 129.4 | 163.7 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1430 | C | 26 | Very low | 26 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -170.2 | 142.3 | 173.8 | -101.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1431 | V | 27.1 | Very low | 25.6 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | cis | -161 | 175.5 | -15.9 | -99.6 | 0 | 0 | 0 | 0 | 105.8 | D1433 | V1431-D1433 WeakPolarHBondContact CG1-OD2 3.49Š| ||
| 1432 | F | 28.1 | Very low | 25.6 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | cis | -148 | 165.7 | 18.2 | -73.2 | -80.2 | 0 | 0 | 0 | 109.6 | ||||
| 1433 | D | 25.5 | Very low | 25.6 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 61% | 0.61 | 76% | 0.755 | S | S | * | * | cis | -168.4 | 178.6 | -43.7 | -134.3 | -42.9 | 0 | 0 | 0 | 111.7 | V1431 | V1431-D1433 WeakPolarHBondContact CG1-OD2 3.49Š| ||
| 1434 | T | 26.1 | Very low | 25.7 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 25.7 | 125.3 | 153.4 | 52.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1435 | V | 26 | Very low | 25.8 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | 80.9 | 152.9 | 61.2 | 165.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1436 | P | 32.6 | Very low | 25.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | cis | -132.8 | -178.6 | 10.2 | 26.8 | -1 | 0 | 0 | 0 | 119.5 | ||||
| 1437 | K | 24.9 | Very low | 26 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -40.2 | 153.8 | 160.5 | -50.2 | 162.2 | -174.9 | 174.3 | 0 | 114.3 | ||||
| 1438 | S | 24.9 | Very low | 26 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | -178.9 | 151.3 | 65.5 | 57.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1439 | A | 25.7 | Very low | 25.9 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 23.1 | 136.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1440 | I | 27.6 | Very low | 26.2 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | -165.6 | 151.3 | 127 | -102.9 | 161.1 | 0 | 0 | 0 | 110.5 | |||||
| 1441 | E | 23.6 | Very low | 26.3 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -94.1 | 149.6 | 175.5 | -51.9 | 174.9 | 118.4 | 0 | 0 | 113.2 | ||||
| 1442 | K | 24.4 | Very low | 26.3 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 158.5 | 156.8 | 117.7 | -89.7 | 161.3 | -173.5 | 172.7 | 0 | 114.9 | |||||
| 1443 | S | 23.6 | Very low | 26.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 61.2 | 126.1 | 164.4 | 42.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1444 | V | 24.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | cis | 94.7 | 134.4 | 43.4 | 168.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1445 | N | 24.9 | Very low | 26.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 81.2 | 85.5 | 168.4 | -73.1 | -17.8 | 0 | 0 | 0 | 121.9 | ||||
| 1446 | K | 25.5 | Very low | 26.4 | Very low | 178 Ų | 178 | 140 Ų | 140 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | 27.6 | 129 | 109.2 | -76.8 | 177.3 | 176.7 | 167 | 0 | 120.6 | |||||
| 1447 | K | 26.8 | Very low | 26 | Very low | 176 Ų | 176 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 72.3 | 131.6 | 129.3 | -70.8 | -172 | 172.7 | -165.4 | 0 | 122.3 | |||||
| 1448 | R | 26.1 | Very low | 26.2 | Very low | 236 Ų | 236 | 141.9 Ų | 141.9 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | -128 | 135.6 | 116.1 | -79.4 | -170.6 | 166.9 | 167.7 | -3.8 | 107.2 | |||||
| 1449 | T | 27.3 | Very low | 26.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | 70.4 | 134.4 | 50.3 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1450 | S | 29.2 | Very low | 26.2 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -129.2 | -175 | 36.4 | 59.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1451 | S | 27.8 | Very low | 26.1 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -148.8 | 149.1 | 9.1 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1452 | T | 27.9 | Very low | 26.3 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 25.4 | 118.2 | 147.5 | 52.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1453 | S | 24.5 | Very low | 26.3 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | 76 | 146.9 | 65.5 | 79.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1454 | S | 28.2 | Very low | 26.5 | Very low | 92 Ų | 92 | 143 Ų | 143 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | cis | -167.4 | 155.5 | 20.3 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1455 | H | 28.4 | Very low | 26.5 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | 59.2 | 159.3 | 152.5 | -70.3 | -58.9 | 0 | 0 | 0 | 119.3 | ||||
| 1456 | N | 26.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | cis | -152.6 | 142.3 | -9.7 | -124.6 | -11 | 0 | 0 | 0 | 112.7 | ||||
| 1457 | R | 25 | Very low | 26.6 | Very low | 200 Ų | 200 | 141 Ų | 141 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 41.2 | 139.5 | 132.7 | -92.9 | 178.4 | 174.8 | -165.8 | 0.3 | 124.3 | ||||
| 1458 | H | 27.6 | Very low | 26.5 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 75.4 | 151.4 | 149.3 | -68.5 | -60.9 | 0 | 0 | 0 | 120 | ||||
| 1459 | S | 23.9 | Very low | 26.5 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 52% | 0.524 | 73% | 0.732 | S | S | . | * | cis | 175.8 | 158.7 | -48 | 46.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1460 | F | 27.5 | Very low | 26.4 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.842 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 151.1 | 171.5 | -68.2 | -87.5 | 0 | 0 | 0 | 116.1 | ||||
| 1461 | N | 25 | Very low | 26.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | cis | -170.6 | 163.7 | -31.4 | -149 | 18.5 | 0 | 0 | 0 | 110 | ||||
| 1462 | T | 27.6 | Very low | 26.3 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | trans | 43.6 | 144.1 | 147.5 | 47.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1463 | T | 25.5 | Very low | 26.3 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | cis | -178.5 | 153.2 | -18.3 | 19 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1464 | R | 27.4 | Very low | 26.6 | Very low | 242 Ų | 242 | 145.9 Ų | 145.9 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | trans | 65.1 | 157.5 | 166 | -69.9 | 176.7 | 176.3 | 175.3 | -2.4 | 115.8 | ||||
| 1465 | S | 23.5 | Very low | 26.6 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -170.5 | 165.5 | -26.3 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1466 | L | 27.3 | Very low | 26.6 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 93.1 | 119.1 | 167.5 | -58.5 | 165 | 0 | 0 | 0 | 118.8 | ||||
| 1467 | E | 25.8 | Very low | 26.7 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 59.9 | 109.6 | 131.6 | -58.9 | -169.3 | 122.1 | 0 | 0 | 124 | ||||
| 1468 | S | 25.2 | Very low | 27 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | 98.4 | 121.8 | 124.8 | 79.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1469 | K | 25.1 | Very low | 27 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | 21.2 | 126.3 | 144 | -56.1 | 173.8 | -178.1 | 174.5 | 0 | 119.3 | ||||
| 1470 | S | 25.7 | Very low | 27.3 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | 171.8 | 118.7 | 94.2 | -166.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1471 | I | 26.5 | Very low | 27.8 | Very low | 137 Ų | 137 | 141 Ų | 141 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | 38.6 | 118.3 | 135.1 | -47.6 | 171.6 | 0 | 0 | 0 | 121 | ||||
| 1472 | K | 28.3 | Very low | 28.1 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | -176.3 | 107.5 | 121 | -98.3 | 164.9 | -172.8 | 178.7 | 0 | 109.7 | |||||
| 1473 | H | 28.5 | Very low | 28.1 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 66.6 | 118.4 | 82.8 | -98.3 | -50.9 | 0 | 0 | 0 | 116.8 | |||||
| 1474 | N | 29.7 | Very low | 28.3 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -150 | 161.9 | 130.4 | -128.4 | -10.5 | 0 | 0 | 0 | 110 | ||||
| 1475 | T | 28.1 | Very low | 28.2 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | trans | -149.7 | 150.4 | -157.5 | 47.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1476 | F | 29.6 | Very low | 28.6 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | 176 | 158.2 | 151.7 | -97.6 | -167.2 | 0 | 0 | 0 | 105.6 | ||||
| 1477 | K | 29 | Very low | 28.6 | Very low | 129 Ų | 129 | 144 Ų | 144 | 56% | 0.561 | 74% | 0.742 | S | S | * | * | cis | -167.8 | 149.9 | -17 | -106.5 | -177.9 | 173.9 | -72.4 | 0 | 104 | ||||
| 1478 | E | 29.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -160 | 172.5 | -10.9 | -131.9 | 150.4 | -148.6 | 0 | 0 | 105.4 | ||||
| 1479 | N | 28 | Very low | 28.8 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | cis | -143.4 | -150.8 | 13.3 | -157.1 | -18.8 | 0 | 0 | 0 | 111.5 | ||||
| 1480 | T | 31.4 | Very low | 28.9 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -160 | 178.9 | -157.2 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1481 | P | 37.3 | Very low | 29 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -118.9 | -126.9 | -16.7 | 19.2 | 7.4 | 0 | 0 | 0 | 110.3 | ||||
| 1482 | R | 30.3 | Very low | 28.9 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -164 | 111.3 | -1.6 | -154.3 | 177 | -155.4 | -160.7 | 5.5 | 116.2 | ||||
| 1483 | Q | 28.8 | Very low | 28.9 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | trans | 63.9 | 156.8 | 141.8 | -66.6 | 172.8 | -37.4 | 0 | 0 | 119.7 | ||||
| 1484 | Q | 28.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | cis | -148.3 | 168.9 | 3.2 | -136.4 | 152.3 | 3.4 | 0 | 0 | 113.4 | ||||
| 1485 | T | 26.1 | Very low | 28.4 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -113 | 159 | -169.2 | 47.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1486 | P | 31.4 | Very low | 28.2 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -87.9 | 165.9 | 177.5 | 37.2 | -37.2 | 0 | 0 | 0 | 114.1 | ||||
| 1487 | V | 28.3 | Very low | 28 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -143.2 | 149.9 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1488 | A | 27.1 | Very low | 27.9 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -135.5 | 160.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1489 | H | 28.4 | Very low | 27.8 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -153.5 | 164.3 | 158.7 | -111.6 | -78.8 | 0 | 0 | 0 | 111.3 | ||||
| 1490 | Q | 25.9 | Very low | 27.7 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -105.2 | 152.5 | -165.2 | -54.7 | 161.9 | -64.5 | 0 | 0 | 113.8 | ||||
| 1491 | T | 27.8 | Very low | 27.5 | Very low | 145 Ų | 145 | 147 Ų | 147 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -150.6 | 159.4 | 143.2 | 12.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1492 | L | 24.3 | Very low | 26.9 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -90.9 | 149.5 | -179.6 | -62.2 | 81.2 | 0 | 0 | 0 | 111.1 | ||||
| 1493 | E | 27.9 | Very low | 26.9 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | -159.6 | -175.8 | 128.9 | -125 | 174.8 | -157.2 | 0 | 0 | 113 | |||||
| 1494 | V | 23.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -109.4 | 127.7 | -160.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1495 | G | 26.5 | Very low | 26.8 | Very low | 78 Ų | 78 | 154.9 Ų | 154.9 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -159.5 | 101 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1496 | V | 23.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 79% | 0.788 | 84% | 0.839 | S | S | * | * | trans | -52.7 | 152.8 | 173.7 | 165.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1497 | L | 24.5 | Very low | 26.6 | Very low | 153 Ų | 153 | 162.4 Ų | 162.4 | 80% | 0.801 | 85% | 0.847 | S | S | * | * | trans | 90.3 | 152.3 | 156.7 | -90.3 | 166.3 | 0 | 0 | 0 | 122.7 | ||||
| 1498 | T | 26.9 | Very low | 26.8 | Very low | 113 Ų | 113 | 160.2 Ų | 160.2 | 69% | 0.693 | 84% | 0.838 | S | S | * | * | trans | 59.5 | 115.3 | 165.2 | 42.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1499 | P | 27.2 | Very low | 26.9 | Very low | 137 Ų | 137 | 165.2 Ų | 165.2 | 89% | 0.89 | 85% | 0.848 | S | S | * | * | trans | -87.9 | 112.2 | 165 | 33.7 | -29 | 0 | 0 | 0 | 111.3 | ||||
| 1500 | T | 27.3 | Very low | 27.1 | Very low | 131 Ų | 131 | 162.6 Ų | 162.6 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -104.8 | 139.4 | 171 | 37.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1501 | R | 25.6 | Very low | 27.4 | Very low | 249 Ų | 249 | 157.8 Ų | 157.8 | 94% | 0.94 | 85% | 0.847 | S | S | * | * | trans | -38.7 | 138.2 | 178.1 | -60.3 | 167.4 | 171.1 | 175.1 | -6 | 114.3 | ||||
| 1502 | R | 25.9 | Very low | 27.8 | Very low | 239 Ų | 239 | 157.4 Ų | 157.4 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -159.1 | 119.5 | 142.4 | -148.4 | 173.8 | -168.9 | 166.5 | 4.7 | 114.5 | ||||
| 1503 | A | 29.3 | Very low | 28.1 | Very low | 100 Ų | 100 | 158.7 Ų | 158.7 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | trans | -161.5 | 37.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1505 | A1503-R1505 PolarHBondContact O-N 3.46Š| ||
| 1504 | E | 27 | Very low | 28.6 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -67.7 | 125.7 | 159 | -73.1 | -177 | 128.6 | 0 | 0 | 108.6 | ||||
| 1505 | R | 28.8 | Very low | 29 | Very low | 248 Ų | 248 | 155.5 Ų | 155.5 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | trans | -105.3 | 136.4 | 164.8 | -171.1 | 175.4 | -86.2 | -167 | -2.8 | 108.9 | A1503 | A1503-R1505 PolarHBondContact O-N 3.46Š| ||
| 1506 | I | 29 | Very low | 29.3 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | trans | -76.3 | 144.5 | -159.7 | -66.6 | 162 | 0 | 0 | 0 | 112.6 | ||||
| 1507 | R | 25 | Very low | 29.9 | Very low | 250 Ų | 250 | 156.2 Ų | 156.2 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -115.2 | 129.9 | 172.8 | -156.1 | -177.6 | -164.4 | -175.7 | 6.2 | 109.7 | ||||
| 1508 | S | 31 | Very low | 30.3 | Very low | 99 Ų | 99 | 156.2 Ų | 156.2 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | trans | -165.6 | 147.2 | -178.5 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1509 | Q | 30.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | cis | -164.1 | 125.9 | -17.7 | -125.5 | -171.5 | 19.9 | 0 | 0 | 110.6 | ||||
| 1510 | S | 33.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | 178.2 | 133.2 | 159.5 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1511 | G | 30.3 | Very low | 31.2 | Very low | 74 Ų | 74 | 155.9 Ų | 155.9 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | cis | 136.9 | 152.9 | 2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1512 | P | 37.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | cis | -123.4 | -160.8 | -6.8 | 41.8 | -24.8 | 0 | 0 | 0 | 113.6 | ||||
| 1513 | K | 30.7 | Very low | 31.6 | Very low | 192 Ų | 192 | 147 Ų | 147 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -100.8 | 163.4 | -177.7 | -68.3 | -177.2 | 176.3 | -178.2 | 0 | 114.8 | ||||
| 1514 | P | 37.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | -113 | 147.1 | 117.9 | -4.5 | 24.9 | 0 | 0 | 0 | 111.2 | |||||
| 1515 | L | 32 | Very low | 31.9 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | 63.8 | 126 | 68 | -62 | 165.5 | 0 | 0 | 0 | 112.7 | |||||
| 1516 | S | 32 | Very low | 32.3 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | cis | -157.5 | 174.6 | 1.8 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1517 | P | 37.5 | Very low | 32.4 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -115.6 | 172.3 | -165.2 | 42.3 | -34.4 | 0 | 0 | 0 | 116.8 | ||||
| 1518 | N | 32.1 | Very low | 33 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -179.1 | 165.5 | 135.5 | -97.1 | -20.3 | 0 | 0 | 0 | 115.7 | ||||
| 1519 | S | 34.4 | Very low | 33 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 60.9 | 125.4 | 176.1 | 47.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1520 | V | 33.4 | Very low | 33 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | cis | 112.7 | 142.6 | 8.5 | 179.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1521 | D | 31.6 | Very low | 33.2 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 155.5 | 178.1 | -61.1 | -26.9 | 0 | 0 | 0 | 119.4 | ||||
| 1522 | L | 32.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 139 Ų | 139 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | -167 | 137.6 | -54.3 | -117.7 | 172.8 | 0 | 0 | 0 | 110.2 | |||||
| 1523 | Q | 29.5 | Very low | 32.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 19.6 | 127.4 | 159.5 | -71.3 | 169.8 | -18.3 | 0 | 0 | 122.1 | ||||
| 1524 | S | 30.9 | Very low | 32.8 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | 170.1 | 144.1 | 100.8 | 44.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1525 | D | 30.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -87.7 | 153.1 | 164.5 | -72.4 | -58.6 | 0 | 0 | 0 | 110.4 | ||||
| 1526 | P | 37.2 | Very low | 32.6 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | -150.3 | 161.3 | 93.9 | 37.7 | -19.5 | 0 | 0 | 0 | 117.6 | |||||
| 1527 | F | 32.1 | Very low | 32.7 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -66.6 | 158.8 | 169.6 | -89.5 | -95.6 | 0 | 0 | 0 | 114 | ||||
| 1528 | P | 37.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | -149.2 | 146.4 | 112 | 38.4 | -22.4 | 0 | 0 | 0 | 118.7 | |||||
| 1529 | S | 31.3 | Very low | 32.4 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | 47.8 | 107.2 | 142.2 | 65.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1530 | A | 30.4 | Very low | 32.3 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | 52.2 | 136.6 | 112.2 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1531 | T | 37.4 | Very low | 32.2 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -148.3 | 147.4 | 133.9 | -39.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1532 | Y | 28.2 | Very low | 32.2 | Very low | 220 Ų | 220 | 154.9 Ų | 154.9 | 86% | 0.863 | 83% | 0.826 | S | S | * | * | trans | -93.4 | 147.2 | 169 | -105.2 | -103.2 | 0 | 0 | 0 | 110.2 | ||||
| 1533 | Y | 29.8 | Very low | 32.2 | Very low | 296 Ų | 296 | 157 Ų | 157 | 100% | 1.161 | 84% | 0.838 | S | S | * | * | trans | -155.7 | 0 | 147.6 | -107.7 | -70.9 | 0 | 0 | 0 | 110.3 |
Retrieved 1,533 of 1,533 residues in 796.3 ms
(Link to these results)