| 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 | 28.3 | Very low | 33.3 | Very low | 237 Ų | 237 | 177.4 Ų | 177.4 | 100% | 1.167 | 86% | 0.857 | S | S | * | * | 0 | 155.2 | 0 | -82.5 | -174.7 | -81.9 | 0 | 0 | 109.6 | |||||
| 2 | P | 38.3 | Very low | 32.9 | Very low | 103 Ų | 103 | 182.3 Ų | 182.3 | 67% | 0.669 | 86% | 0.86 | S | S | * | * | trans | -84 | 157.5 | 179.9 | 35.4 | -35.6 | 0 | 0 | 0 | 112 | ||||
| 3 | F | 35.8 | Very low | 32.7 | Very low | 199 Ų | 199 | 183.5 Ų | 183.5 | 87% | 0.873 | 85% | 0.853 | S | S | * | * | -170.9 | 93.1 | 126.5 | -93.2 | -57.2 | 0 | 0 | 0 | 109.5 | L5 | F3-L5 VanDerWaalsContact C-N 3.35Å; F3-L5 PolarHBondContact O-N 3.41Å | |||
| 4 | G | 32.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 179.8 Ų | 179.8 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -74.5 | 84.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | K6 | G4-K6 PolarHBondContact O-N 2.98Š| ||
| 5 | L | 35.3 | Very low | 33.2 | Very low | 162 Ų | 162 | 174.4 Ų | 174.4 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | -64.9 | 83.5 | 170.9 | -82.1 | 170.8 | 0 | 0 | 0 | 110.4 | F3 L7 | F3-L5 VanDerWaalsContact C-N 3.35Å; F3-L5 PolarHBondContact O-N 3.41Å; L5-L7 PolarHBondContact O-N 3.01Å | ||
| 6 | K | 33.4 | Very low | 34 | Very low | 200 Ų | 200 | 173.7 Ų | 173.7 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | trans | -64.8 | 83.2 | 163 | -73.8 | -179.4 | 178.4 | 174.2 | 0 | 108.2 | G4 R8 | G4-K6 PolarHBondContact O-N 2.98Å; K6-R8 PolarHBondContact O-N 2.81Å | ||
| 7 | L | 34.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 168.4 Ų | 168.4 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -51 | 105 | 166.1 | -98.2 | 163.9 | 0 | 0 | 0 | 107.7 | L5 R9 | L5-L7 PolarHBondContact O-N 3.01Å; L7-R9 PolarHBondContact O-N 3.45Å | ||
| 8 | R | 32.3 | Very low | 35.8 | Very low | 233 Ų | 233 | 168.4 Ų | 168.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -54.5 | 110.5 | -175.4 | -175.9 | -175.6 | -168.8 | -170.6 | 5.4 | 107.1 | K6 T10 | K6-R8 PolarHBondContact O-N 2.81Å; R8-T10 PolarHBondContact O-N 3.15Å | ||
| 9 | R | 32.3 | Very low | 38 | Very low | 241 Ų | 241 | 164.3 Ų | 164.3 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | -42.1 | 107.8 | -179.9 | -96.5 | -175.9 | 172.9 | 167 | -2.7 | 108.5 | L7 R11 | L7-R9 PolarHBondContact O-N 3.45Å; R9-R11 VanDerWaalsContact C-N 3.35Å; R9-R11 PolarHBondContact O-N 2.9Å | ||
| 10 | T | 29.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 163.7 Ų | 163.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -62.9 | 103.5 | 174.5 | -37 | 0 | 0 | 0 | 0 | 105.7 | R8 R12 | R8-T10 PolarHBondContact O-N 3.15Å; T10-R12 VanDerWaalsContact C-N 3.3Å; T10-R12 PolarHBondContact O-N 3.4Å | ||
| 11 | R | 33.9 | Very low | 42.5 | Very low | 208 Ų | 208 | 157.2 Ų | 157.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -56 | 106.4 | 162.7 | -83 | -175.5 | 169.7 | -177.4 | -3 | 104.2 | R9 Y13 | R9-R11 VanDerWaalsContact C-N 3.35Å; R9-R11 PolarHBondContact O-N 2.9Å; R11-Y13 VanDerWaalsContact C-N 3.29Å; R11-Y13 HydrophobicContact CB-CE2 4.46Å; R11-Y13 WeakPolarHBondContact O-CD2 3.47Å; R11-Y13 PolarHBondContact O-N 3.17Å | ||
| 12 | R | 29.2 | Very low | 45.4 | Very low | 237 Ų | 237 | 149.1 Ų | 149.1 | 89% | 0.894 | 72% | 0.715 | S | S | * | * | trans | -61.8 | 101.2 | 169.3 | -73.5 | -176.2 | 174.8 | -178.2 | -2.8 | 105.1 | T10 N14 | T10-R12 VanDerWaalsContact C-N 3.3Å; T10-R12 PolarHBondContact O-N 3.4Å; R12-N14 PolarHBondContact O-N 3.33Å | ||
| 13 | Y | 29.8 | Very low | 47.9 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | trans | -62 | 113.6 | 177.3 | -79.9 | -98.8 | 0 | 0 | 0 | 106.6 | R11 V15 | R11-Y13 VanDerWaalsContact C-N 3.29Å; R11-Y13 HydrophobicContact CB-CE2 4.46Å; R11-Y13 WeakPolarHBondContact O-CD2 3.47Å; R11-Y13 PolarHBondContact O-N 3.17Å; Y13-V15 PolarHBondContact O-N 3.43Å | ||
| 14 | N | 34 | Very low | 50.7 | Low | 131 Ų | 131 | 141.3 Ų | 141.3 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -84.3 | 75.7 | -178.7 | -154.3 | 25.8 | 0 | 0 | 0 | 107.7 | R12 L16 | R12-N14 PolarHBondContact O-N 3.33Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 3.22Å | ||
| 15 | V | 38.9 | Very low | 53.7 | Low | 99 Ų | 99 | 137.7 Ų | 137.7 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -68.6 | -26 | -167 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | Y13 S17 | Y13-V15 PolarHBondContact O-N 3.43Å; V15-S17 PolarHBondContact O-N 2.99Å |
| 16 | L | 45.5 | Very low | 56.5 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 85% | 0.853 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -87.4 | 16.2 | -168.2 | -72 | 168.2 | 0 | 0 | 0 | 116.1 | N14 | N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 3.22Å |
| 17 | S | 46.7 | Very low | 59.5 | Low | 84 Ų | 84 | 123.7 Ų | 123.7 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -139.6 | 22.9 | -177.6 | 84.7 | 0 | 0 | 0 | 0 | 115.9 | V15 | V15-S17 PolarHBondContact O-N 2.99Š|
| 18 | K | 54.9 | Low | 62.3 | Low | 169 Ų | 169 | 116.6 Ų | 116.6 | 74% | 0.735 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | -20.6 | 176.5 | -72.9 | -161.6 | 172 | -163.5 | 0 | 115.7 | V39 | K18-V39 VanDerWaalsContact O-CG1 3.28Å; K18-V39 WeakPolarHBondContact O-CG1 3.32Å |
| 19 | N | 77.3 | Confident | 65 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -94.8 | -3.2 | -171.4 | -64.7 | 16.7 | 0 | 0 | 0 | 113.8 | S38 V39 | N19-S38 CarbonylContact O-C 3.58Å; N19-S38 VanDerWaalsContact O-CA 3.28Å; N19-S38 WeakPolarHBondContact O-CA 3.32Å; N19-V39 PolarHBondContact O-N 2.84Å |
| 20 | Y | 83.2 | Confident | 67.6 | Low | 153 Ų | 153 | 98.8 Ų | 98.8 | 60% | 0.6 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.1 | 177.8 | -61.3 | -87.4 | 0 | 0 | 0 | 111.2 | L37 | Y20-L37 CarbonylContact C-O 3.48Å; Y20-L37 WeakPolarHBondContact CA-O 3.44Å; Y20-L37 WeakPolarHBondContact CB-O 3.32Å |
| 21 | F | 87.7 | Confident | 70.4 | Confident | 27 Ų | 27 | 97 Ų | 97 | 12% | 0.118 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 158.1 | 170.3 | 75.9 | -71.7 | 0 | 0 | 0 | 109.8 | T23 L37 S38 L84 K85 L88 | F21-T23 HydrophobicContact CE2-CG2 3.97Å; F21-L37 HydrophobicContact CD1-CB 4.14Å; F21-L37 WeakPolarHBondContact CD1-O 3.47Å; F21-L37 HydrophobicContact CE1-CB 3.61Å; F21-L37 HydrophobicContact CE1-CD1 4.4Å; F21-L37 HydrophobicContact CZ-CB 4.05Å; F21-L37 HydrophobicContact CZ-CD1 4.02Å; F21-L37 PolarHBondContact N-O 3.05Å; F21-L37 PolarHBondContact O-N 3.41Å; F21-S38 VanDerWaalsContact CE1-O 3.3Å; F21-S38 WeakPolarHBondContact CE1-O 3.21Å; F21-L84 HydrophobicContact CZ-CB 4.32Å; F21-L84 HydrophobicContact CZ-CD2 4.15Å; F21-L84 HydrophobicContact CZ-CG 4.08Å; F21-K85 HydrophobicContact CB-CD 4.31Å; F21-K85 HydrophobicContact CD1-CB 4.06Å; F21-K85 HydrophobicContact CD1-CD 4.04Å; F21-K85 HydrophobicContact CD1-CG 4.45Å; F21-K85 HydrophobicContact CE1-CB 3.74Å; F21-K85 HydrophobicContact CE2-CB 4.43Å; F21-K85 HydrophobicContact CG-CD 4.12Å; F21-K85 HydrophobicContact CZ-CB 3.94Å; F21-L88 HydrophobicContact CE2-CD1 4.02Å |
| 22 | V | 88.7 | Confident | 73.2 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.9 | 171.7 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | E34 C35 T36 | V22-E34 HydrophobicContact CG1-CB 4.03Å; V22-C35 WeakPolarHBondContact CA-O 3.39Å; V22-T36 HydrophobicContact CG2-CG2 4.5Å |
| 23 | T | 91 | Very high | 76.1 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 147.1 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | F21 I25 C35 L37 P95 L97 | F21-T23 HydrophobicContact CE2-CG2 3.97Å; T23-I25 HydrophobicContact CG2-CD1 4.15Å; T23-C35 HydrophobicContact CG2-CB 4.31Å; T23-C35 PolarHBondContact N-O 2.88Å; T23-C35 PolarHBondContact O-N 3.31Å; T23-L37 HydrophobicContact CG2-CD1 3.96Å; T23-P95 PolarHBondContact OG1-O 3.06Å; T23-L97 HydrophobicContact CG2-CD1 3.9Å; T23-L97 WeakPolarHBondContact OG1-CD1 3.17Å |
| 24 | R | 93.4 | Very high | 79.1 | Confident | 136 Ų | 136 | 75.5 Ų | 75.5 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126 | 178.4 | -73.7 | 176.9 | 172 | -171.8 | -9.6 | 108.7 | V32 E34 P95 Q96 L97 | R24-V32 HydrophobicContact CB-CG1 3.94Å; R24-V32 HydrophobicContact CG-CG1 4.17Å; R24-E34 HydrophobicContact CG-CG 4.12Å; R24-E34 IonicContact CZ-OE1 2.87Å; R24-E34 IonicContact NE-OE1 2.8Å; R24-E34 PolarHBondContact NE-OE1 2.83Å; R24-E34 IonicContact NH2-OE1 3.95Å; R24-E34 PolarHBondContact NH2-OE1 3.5Å; R24-P95 PolarHBondContact N-O 3.41Å; R24-Q96 HydrophobicContact CB-CG 4.36Å; R24-Q96 CarbonylContact O-C 3.51Å; R24-Q96 WeakPolarHBondContact O-CA 3.43Å; R24-L97 PolarHBondContact O-N 2.97Å |
| 25 | I | 95.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.7 | 171.7 | -54.5 | 74.3 | 0 | 0 | 0 | 106.7 | T23 L27 V32 I33 C35 V50 L64 L97 F99 | T23-I25 HydrophobicContact CG2-CD1 4.15Å; I25-L27 HydrophobicContact CG2-CD2 4.48Å; I25-V32 WeakPolarHBondContact O-CA 3.22Å; I25-I33 HydrophobicContact CB-CG1 4Å; I25-I33 PolarHBondContact N-O 2.66Å; I25-I33 PolarHBondContact O-N 2.7Å; I25-C35 HydrophobicContact CD1-CB 3.67Å; I25-C35 VanDerWaalsContact CD1-SG 3.51Å; I25-V50 HydrophobicContact CB-CG2 4.28Å; I25-V50 HydrophobicContact CD1-CG2 4.4Å; I25-V50 HydrophobicContact CG1-CG2 3.89Å; I25-V50 HydrophobicContact CG2-CG2 4.13Å; I25-L64 HydrophobicContact CG2-CD2 3.96Å; I25-L97 CarbonylContact C-O 3.57Å; I25-L97 WeakPolarHBondContact CA-O 3.23Å; I25-L97 HydrophobicContact CG1-CB 4.11Å; I25-L97 HydrophobicContact CG1-CD1 4.38Å; I25-F99 HydrophobicContact CG2-CB 3.93Å |
| 26 | R | 95.7 | Very high | 84.2 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 129.5 | 166.1 | -168.1 | 178.1 | -61.8 | 179 | 1.7 | 109.2 | N31 V32 L97 F98 F99 | R26-N31 CarbonylContact C-O 3.57Å; R26-N31 WeakPolarHBondContact CA-O 3.37Å; R26-V32 HydrophobicContact CB-CG2 4.29Å; R26-V32 HydrophobicContact CG-CG2 4.12Å; R26-L97 PolarHBondContact N-O 3.33Å; R26-F98 HydrophobicContact CB-CD1 3.92Å; R26-F98 HydrophobicContact CB-CE1 4.29Å; R26-F98 CarbonylContact O-C 3.59Å; R26-F98 WeakPolarHBondContact O-CA 3.24Å; R26-F99 PolarHBondContact O-N 3.09Å |
| 27 | L | 95.8 | Very high | 86.3 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | trans | -89.1 | 173.3 | 179.9 | -63.9 | 177.6 | 0 | 0 | 0 | 111 | I25 D29 N30 N31 I33 V50 L54 F99 | I25-L27 HydrophobicContact CG2-CD2 4.48Å; L27-D29 VanDerWaalsContact C-N 3.34Å; L27-D29 WeakPolarHBondContact CB-OD1 3.38Å; L27-N30 WeakPolarHBondContact O-CA 3.42Å; L27-N30 PolarHBondContact O-N 3.42Å; L27-N30 VanDerWaalsContact O-N 3.09Å; L27-N31 WeakPolarHBondContact CB-O 3.38Å; L27-N31 HydrophobicContact CD1-CB 4.18Å; L27-N31 PolarHBondContact N-O 2.66Å; L27-I33 HydrophobicContact CD1-CD1 4.15Å; L27-I33 HydrophobicContact CD1-CG1 4.28Å; L27-I33 HydrophobicContact CD1-CG2 3.89Å; L27-I33 HydrophobicContact CD2-CD1 3.9Å; L27-I33 HydrophobicContact CD2-CG1 4.29Å; L27-I33 HydrophobicContact CG-CD1 4.27Å; L27-I33 HydrophobicContact CG-CG1 4.24Å; L27-V50 HydrophobicContact CD2-CG1 3.89Å; L27-L54 HydrophobicContact CD1-CD2 4.14Å; L27-L54 HydrophobicContact CD2-CD1 4.11Å; L27-F99 HydrophobicContact CD2-CB 3.97Å; L27-F99 HydrophobicContact CD2-CD1 4.28Å; L27-F99 HydrophobicContact CD2-CG 4.23Å | ||
| 28 | L | 93.1 | Very high | 88.5 | Confident | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -20.9 | -175 | -68.6 | 170.5 | 0 | 0 | 0 | 113.7 | N30 F99 Q119 L122 Q123 | L28-N30 PolarHBondContact O-N 2.78Å; L28-F99 HydrophobicContact CD1-CD1 4.06Å; L28-F99 HydrophobicContact CD1-CE1 4.17Å; L28-F99 WeakPolarHBondContact CD2-O 3.3Å; L28-F99 HydrophobicContact CG-CD1 4.11Å; L28-Q119 HydrophobicContact CD1-CB 4.36Å; L28-Q119 VanDerWaalsContact CD1-O 3.26Å; L28-Q119 WeakPolarHBondContact CD1-O 3.47Å; L28-L122 HydrophobicContact CB-CB 3.76Å; L28-L122 HydrophobicContact CB-CD1 4.17Å; L28-Q123 HydrophobicContact CD1-CB 4.05Å; L28-Q123 HydrophobicContact CD2-CB 4.33Å |
| 29 | D | 88.4 | Confident | 90.1 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.7 | 166.3 | 60.7 | -1.4 | 0 | 0 | 0 | 112.5 | L27 N31 L122 | L27-D29 VanDerWaalsContact C-N 3.34Å; L27-D29 WeakPolarHBondContact CB-OD1 3.38Å; D29-N31 VanDerWaalsContact CG-ND2 3.28Å; D29-N31 PolarHBondContact O-N 2.72Å; D29-N31 WeakPolarHBondContact OD1-CB 3.48Å; D29-N31 PolarHBondContact OD1-N 2.74Å; D29-N31 PolarHBondContact OD2-ND2 2.68Å; D29-L122 HydrophobicContact CB-CD1 4.03Å |
| 30 | N | 86.8 | Confident | 90.8 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 67.3 | 1 | -170.9 | -55.5 | -77.6 | 0 | 0 | 0 | 116.4 | L27 L28 | L27-N30 WeakPolarHBondContact O-CA 3.42Å; L27-N30 PolarHBondContact O-N 3.42Å; L27-N30 VanDerWaalsContact O-N 3.09Å; L28-N30 PolarHBondContact O-N 2.78Å |
| 31 | N | 89.3 | Confident | 91.3 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | trans | -62 | 153 | 172.5 | -78.9 | -53.3 | 0 | 0 | 0 | 110.9 | R26 L27 D29 | R26-N31 CarbonylContact C-O 3.57Å; R26-N31 WeakPolarHBondContact CA-O 3.37Å; L27-N31 WeakPolarHBondContact CB-O 3.38Å; L27-N31 HydrophobicContact CD1-CB 4.18Å; L27-N31 PolarHBondContact N-O 2.66Å; D29-N31 VanDerWaalsContact CG-ND2 3.28Å; D29-N31 PolarHBondContact O-N 2.72Å; D29-N31 WeakPolarHBondContact OD1-CB 3.48Å; D29-N31 PolarHBondContact OD1-N 2.74Å; D29-N31 PolarHBondContact OD2-ND2 2.68Å | ||
| 32 | V | 91.6 | Very high | 91.7 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 42% | 0.424 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121 | -179.5 | -179.8 | 0 | 0 | 0 | 0 | 110 | R24 I25 R26 | R24-V32 HydrophobicContact CB-CG1 3.94Å; R24-V32 HydrophobicContact CG-CG1 4.17Å; I25-V32 WeakPolarHBondContact O-CA 3.22Å; R26-V32 HydrophobicContact CB-CG2 4.29Å; R26-V32 HydrophobicContact CG-CG2 4.12Å |
| 33 | I | 91.3 | Very high | 92 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 17% | 0.169 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.9 | 176.5 | 59.3 | 174.1 | 0 | 0 | 0 | 110.5 | I25 L27 V50 | I25-I33 HydrophobicContact CB-CG1 4Å; I25-I33 PolarHBondContact N-O 2.66Å; I25-I33 PolarHBondContact O-N 2.7Å; L27-I33 HydrophobicContact CD1-CD1 4.15Å; L27-I33 HydrophobicContact CD1-CG1 4.28Å; L27-I33 HydrophobicContact CD1-CG2 3.89Å; L27-I33 HydrophobicContact CD2-CD1 3.9Å; L27-I33 HydrophobicContact CD2-CG1 4.29Å; L27-I33 HydrophobicContact CG-CD1 4.27Å; L27-I33 HydrophobicContact CG-CG1 4.24Å; I33-V50 HydrophobicContact CD1-CB 4.32Å; I33-V50 HydrophobicContact CD1-CG1 4.12Å; I33-V50 HydrophobicContact CD1-CG2 3.95Å |
| 34 | E | 91.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 132.2 | 175.9 | -57.9 | -155 | 153.3 | 0 | 0 | 110.7 | V22 R24 R53 | V22-E34 HydrophobicContact CG1-CB 4.03Å; R24-E34 HydrophobicContact CG-CG 4.12Å; R24-E34 IonicContact CZ-OE1 2.87Å; R24-E34 IonicContact NE-OE1 2.8Å; R24-E34 PolarHBondContact NE-OE1 2.83Å; R24-E34 IonicContact NH2-OE1 3.95Å; R24-E34 PolarHBondContact NH2-OE1 3.5Å; E34-R53 PolarHBondContact O-NH1 3.02Å; E34-R53 PolarHBondContact O-NH2 3.06Å |
| 35 | C | 89.8 | Confident | 92.3 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.6 | 171.4 | -75.5 | 0 | 0 | 0 | 0 | 109.5 | V22 T23 I25 L37 R53 | V22-C35 WeakPolarHBondContact CA-O 3.39Å; T23-C35 HydrophobicContact CG2-CB 4.31Å; T23-C35 PolarHBondContact N-O 2.88Å; T23-C35 PolarHBondContact O-N 3.31Å; I25-C35 HydrophobicContact CD1-CB 3.67Å; I25-C35 VanDerWaalsContact CD1-SG 3.51Å; C35-L37 HydrophobicContact CB-CD1 4.24Å; C35-L37 HydrophobicContact CB-CD2 4.34Å; C35-L37 HydrophobicContact CB-CG 4.06Å; C35-R53 PolarHBondContact SG-NH1 2.91Å |
| 36 | T | 90.7 | Very high | 92.3 | Very high | 102 Ų | 102 | 47.1 Ų | 47.1 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 115.1 | 168 | -60.5 | 0 | 0 | 0 | 0 | 108.3 | V22 | V22-T36 HydrophobicContact CG2-CG2 4.5Å |
| 37 | L | 90.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.4 | -171.6 | -62.6 | 173.7 | 0 | 0 | 0 | 110.6 | Y20 F21 T23 C35 C46 L84 | Y20-L37 CarbonylContact C-O 3.48Å; Y20-L37 WeakPolarHBondContact CA-O 3.44Å; Y20-L37 WeakPolarHBondContact CB-O 3.32Å; F21-L37 HydrophobicContact CD1-CB 4.14Å; F21-L37 WeakPolarHBondContact CD1-O 3.47Å; F21-L37 HydrophobicContact CE1-CB 3.61Å; F21-L37 HydrophobicContact CE1-CD1 4.4Å; F21-L37 HydrophobicContact CZ-CB 4.05Å; F21-L37 HydrophobicContact CZ-CD1 4.02Å; F21-L37 PolarHBondContact N-O 3.05Å; F21-L37 PolarHBondContact O-N 3.41Å; T23-L37 HydrophobicContact CG2-CD1 3.96Å; C35-L37 HydrophobicContact CB-CD1 4.24Å; C35-L37 HydrophobicContact CB-CD2 4.34Å; C35-L37 HydrophobicContact CB-CG 4.06Å; L37-C46 HydrophobicContact CD1-CB 3.72Å; L37-L84 HydrophobicContact CD1-CD2 3.66Å |
| 38 | S | 91.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 158.7 | 172.7 | 83.9 | 0 | 0 | 0 | 0 | 110.8 | N19 F21 E40 S41 | N19-S38 CarbonylContact O-C 3.58Å; N19-S38 VanDerWaalsContact O-CA 3.28Å; N19-S38 WeakPolarHBondContact O-CA 3.32Å; F21-S38 VanDerWaalsContact CE1-O 3.3Å; F21-S38 WeakPolarHBondContact CE1-O 3.21Å; S38-E40 PolarHBondContact O-N 3.46Å; S38-E40 VanDerWaalsContact O-N 3.16Å; S38-E40 PolarHBondContact OG-N 3.46Å; S38-S41 WeakPolarHBondContact CB-OG 3.45Å; S38-S41 PolarHBondContact N-OG 3.02Å; S38-S41 WeakPolarHBondContact O-CB 3.42Å; S38-S41 PolarHBondContact O-N 2.82Å; S38-S41 WeakPolarHBondContact OG-CB 3.29Å; S38-S41 PolarHBondContact OG-N 2.89Å; S38-S41 PolarHBondContact OG-OG 3.18Å |
| 39 | V | 89.4 | Confident | 92.3 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -67.2 | -11.2 | 174.7 | -63 | 0 | 0 | 0 | 0 | 113.9 | K18 N19 K85 | K18-V39 VanDerWaalsContact O-CG1 3.28Å; K18-V39 WeakPolarHBondContact O-CG1 3.32Å; N19-V39 PolarHBondContact O-N 2.84Å; V39-K85 HydrophobicContact CB-CD 4.08Å; V39-K85 HydrophobicContact CG1-CD 3.66Å |
| 40 | E | 90.8 | Very high | 92.6 | Very high | 152 Ų | 152 | 47.2 Ų | 47.2 | 71% | 0.71 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -99.7 | -19.5 | 176.8 | -54.5 | -168.3 | 145.6 | 0 | 0 | 111.9 | S38 P83 | S38-E40 PolarHBondContact O-N 3.46Å; S38-E40 VanDerWaalsContact O-N 3.16Å; S38-E40 PolarHBondContact OG-N 3.46Å; E40-P83 WeakPolarHBondContact O-CB 3.49Å |
| 41 | S | 94.2 | Very high | 93 | Very high | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | trans | -56.4 | 134 | -175.9 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | S38 E45 P83 L84 | S38-S41 WeakPolarHBondContact CB-OG 3.45Å; S38-S41 PolarHBondContact N-OG 3.02Å; S38-S41 WeakPolarHBondContact O-CB 3.42Å; S38-S41 PolarHBondContact O-N 2.82Å; S38-S41 WeakPolarHBondContact OG-CB 3.29Å; S38-S41 PolarHBondContact OG-N 2.89Å; S38-S41 PolarHBondContact OG-OG 3.18Å; S41-E45 WeakPolarHBondContact CA-OE1 3.5Å; S41-E45 VanDerWaalsContact CA-OE2 3.25Å; S41-E45 WeakPolarHBondContact CA-OE2 3.24Å; S41-E45 WeakPolarHBondContact CB-OE2 3.18Å; S41-E45 PolarHBondContact OG-OE2 2.78Å; S41-P83 CarbonylContact O-C 3.51Å; S41-P83 WeakPolarHBondContact O-CA 3.39Å; S41-L84 PolarHBondContact O-N 3.16Å | ||
| 42 | T | 96.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 165.4 | -177.5 | 59 | 0 | 0 | 0 | 0 | 112.8 | Q44 E45 C46 L80 K82 | T42-Q44 PolarHBondContact O-N 3.42Å; T42-E45 WeakPolarHBondContact CB-OE1 3.29Å; T42-E45 WeakPolarHBondContact CG2-OE1 3.38Å; T42-E45 PolarHBondContact N-OE1 3Å; T42-E45 WeakPolarHBondContact OG1-CG 3.23Å; T42-E45 PolarHBondContact OG1-N 3.35Å; T42-E45 PolarHBondContact OG1-OE1 3.16Å; T42-C46 PolarHBondContact O-N 3.22Å; T42-L80 WeakPolarHBondContact CB-O 3.43Å; T42-K82 WeakPolarHBondContact CA-O 3.29Å |
| 43 | G | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -30.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C46 L47 L80 K82 | G43-C46 WeakPolarHBondContact O-CB 3.29Å; G43-C46 PolarHBondContact O-N 2.9Å; G43-L47 PolarHBondContact O-N 3.2Å; G43-L80 PolarHBondContact N-O 2.9Å; G43-K82 PolarHBondContact N-O 3.1Å; G43-K82 VanDerWaalsContact N-O 3.12Å |
| 44 | Q | 95.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 175.7 | -174.5 | 62.6 | 26.4 | 0 | 0 | 112.2 | T42 C46 L47 E48 L80 | T42-Q44 PolarHBondContact O-N 3.42Å; Q44-C46 PolarHBondContact O-N 3Å; Q44-L47 PolarHBondContact O-N 3.11Å; Q44-L47 VanDerWaalsContact O-N 3.08Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 3.38Å; Q44-E48 WeakPolarHBondContact O-CG 3.45Å; Q44-E48 PolarHBondContact O-N 3.35Å; Q44-L80 HydrophobicContact CB-CB 4.36Å; Q44-L80 PolarHBondContact N-O 3.09Å |
| 45 | E | 94.6 | Very high | 93.4 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.3 | -37.5 | 175 | -73.8 | 155.5 | -107.5 | 0 | 0 | 112.4 | S41 T42 A49 | S41-E45 WeakPolarHBondContact CA-OE1 3.5Å; S41-E45 VanDerWaalsContact CA-OE2 3.25Å; S41-E45 WeakPolarHBondContact CA-OE2 3.24Å; S41-E45 WeakPolarHBondContact CB-OE2 3.18Å; S41-E45 PolarHBondContact OG-OE2 2.78Å; T42-E45 WeakPolarHBondContact CB-OE1 3.29Å; T42-E45 WeakPolarHBondContact CG2-OE1 3.38Å; T42-E45 PolarHBondContact N-OE1 3Å; T42-E45 WeakPolarHBondContact OG1-CG 3.23Å; T42-E45 PolarHBondContact OG1-N 3.35Å; T42-E45 PolarHBondContact OG1-OE1 3.16Å; E45-A49 WeakPolarHBondContact O-CB 3.11Å; E45-A49 PolarHBondContact O-N 3.12Å |
| 46 | C | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.6 | -45 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | L37 T42 G43 Q44 E48 A49 V50 L64 L84 | L37-C46 HydrophobicContact CD1-CB 3.72Å; T42-C46 PolarHBondContact O-N 3.22Å; G43-C46 WeakPolarHBondContact O-CB 3.29Å; G43-C46 PolarHBondContact O-N 2.9Å; Q44-C46 PolarHBondContact O-N 3Å; C46-E48 VanDerWaalsContact C-N 3.33Å; C46-E48 PolarHBondContact O-N 3.08Å; C46-A49 PolarHBondContact O-N 3.5Å; C46-V50 VanDerWaalsContact O-CG2 3.31Å; C46-V50 WeakPolarHBondContact O-CG2 2.98Å; C46-V50 PolarHBondContact O-N 3.38Å; C46-L64 HydrophobicContact CB-CD1 3.73Å; C46-L64 VanDerWaalsContact SG-CD1 3.52Å; C46-L84 HydrophobicContact CB-CD2 3.64Å |
| 47 | L | 96.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 178 | -179.7 | 62.7 | 0 | 0 | 0 | 111.7 | G43 Q44 V50 A51 F62 L64 L80 F99 | G43-L47 PolarHBondContact O-N 3.2Å; Q44-L47 PolarHBondContact O-N 3.11Å; Q44-L47 VanDerWaalsContact O-N 3.08Å; L47-V50 PolarHBondContact O-N 3.35Å; L47-A51 VanDerWaalsContact O-CB 3.31Å; L47-A51 WeakPolarHBondContact O-CB 3.34Å; L47-A51 PolarHBondContact O-N 3.27Å; L47-F62 HydrophobicContact CD1-CB 4.26Å; L47-L64 HydrophobicContact CB-CD1 4.22Å; L47-L64 HydrophobicContact CB-CG 4.38Å; L47-L64 HydrophobicContact CD1-CD2 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.23Å; L47-L80 HydrophobicContact CB-CD2 4.28Å; L47-L80 HydrophobicContact CD2-CD1 3.73Å; L47-L80 HydrophobicContact CD2-CD2 4.1Å; L47-F99 HydrophobicContact CD1-CD2 4.04Å; L47-F99 HydrophobicContact CD1-CE2 3.76Å |
| 48 | E | 95.1 | Very high | 93.8 | Very high | 100 Ų | 100 | 60 Ų | 60 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.3 | -73.1 | 169.3 | -175.3 | 0 | 0 | 111.8 | Q44 C46 V50 A51 Q52 | Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 3.38Å; Q44-E48 WeakPolarHBondContact O-CG 3.45Å; Q44-E48 PolarHBondContact O-N 3.35Å; C46-E48 VanDerWaalsContact C-N 3.33Å; C46-E48 PolarHBondContact O-N 3.08Å; E48-V50 VanDerWaalsContact C-N 3.29Å; E48-V50 PolarHBondContact O-N 3.11Å; E48-A51 PolarHBondContact O-N 2.97Å; E48-Q52 WeakPolarHBondContact O-CB 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å |
| 49 | A | 93.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 60.3 Ų | 60.3 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.3 | -28.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E45 C46 R53 | E45-A49 WeakPolarHBondContact O-CB 3.11Å; E45-A49 PolarHBondContact O-N 3.12Å; C46-A49 PolarHBondContact O-N 3.5Å; A49-R53 WeakPolarHBondContact O-CD 3.35Å; A49-R53 WeakPolarHBondContact O-CG 3.41Å |
| 50 | V | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.6 | -49.6 | 170.5 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | I25 L27 I33 C46 L47 E48 Q52 R53 L54 L64 F99 | I25-V50 HydrophobicContact CB-CG2 4.28Å; I25-V50 HydrophobicContact CD1-CG2 4.4Å; I25-V50 HydrophobicContact CG1-CG2 3.89Å; I25-V50 HydrophobicContact CG2-CG2 4.13Å; L27-V50 HydrophobicContact CD2-CG1 3.89Å; I33-V50 HydrophobicContact CD1-CB 4.32Å; I33-V50 HydrophobicContact CD1-CG1 4.12Å; I33-V50 HydrophobicContact CD1-CG2 3.95Å; C46-V50 VanDerWaalsContact O-CG2 3.31Å; C46-V50 WeakPolarHBondContact O-CG2 2.98Å; C46-V50 PolarHBondContact O-N 3.38Å; L47-V50 PolarHBondContact O-N 3.35Å; E48-V50 VanDerWaalsContact C-N 3.29Å; E48-V50 PolarHBondContact O-N 3.11Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 2.71Å; V50-R53 VanDerWaalsContact O-N 3.08Å; V50-L54 HydrophobicContact CG1-CD1 3.99Å; V50-L54 PolarHBondContact O-N 3.01Å; V50-L64 HydrophobicContact CG2-CD2 4.36Å; V50-F99 HydrophobicContact CG1-CB 4.46Å; V50-F99 HydrophobicContact CG1-CD2 3.57Å; V50-F99 HydrophobicContact CG1-CE2 3.9Å; V50-F99 HydrophobicContact CG1-CG 4.03Å |
| 51 | A | 94.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L47 E48 R53 L54 E55 L56 T59 | L47-A51 VanDerWaalsContact O-CB 3.31Å; L47-A51 WeakPolarHBondContact O-CB 3.34Å; L47-A51 PolarHBondContact O-N 3.27Å; E48-A51 PolarHBondContact O-N 2.97Å; A51-R53 PolarHBondContact O-N 2.9Å; A51-L54 CarbonylContact O-C 3.48Å; A51-L54 PolarHBondContact O-N 2.95Å; A51-L54 VanDerWaalsContact O-N 3.08Å; A51-E55 PolarHBondContact O-N 3.34Å; A51-L56 HydrophobicContact CB-CB 4.08Å; A51-L56 PolarHBondContact O-N 2.8Å; A51-T59 HydrophobicContact CB-CG2 3.44Å; A51-T59 VanDerWaalsContact CB-CG2 3.44Å |
| 52 | Q | 92.6 | Very high | 94.3 | Very high | 166 Ų | 166 | 55.6 Ų | 55.6 | 78% | 0.776 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61 | -32.7 | 176.5 | -172.2 | 179.3 | 8.9 | 0 | 0 | 112.5 | E48 V50 | E48-Q52 WeakPolarHBondContact O-CB 3.41Å; E48-Q52 PolarHBondContact O-N 2.9Å; V50-Q52 VanDerWaalsContact C-N 3.33Å; V50-Q52 PolarHBondContact O-N 3Å |
| 53 | R | 92.1 | Very high | 94.3 | Very high | 132 Ų | 132 | 54 Ų | 54 | 50% | 0.498 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -78.4 | -20.1 | 176.4 | -68.7 | 167.2 | 168.4 | 171.2 | -9.1 | 113.5 | E34 C35 A49 V50 A51 | E34-R53 PolarHBondContact O-NH1 3.02Å; E34-R53 PolarHBondContact O-NH2 3.06Å; C35-R53 PolarHBondContact SG-NH1 2.91Å; A49-R53 WeakPolarHBondContact O-CD 3.35Å; A49-R53 WeakPolarHBondContact O-CG 3.41Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 2.71Å; V50-R53 VanDerWaalsContact O-N 3.08Å; A51-R53 PolarHBondContact O-N 2.9Å |
| 54 | L | 92.4 | Very high | 94.4 | Very high | 28 Ų | 28 | 54 Ų | 54 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.3 | 176.3 | -61.9 | 176.4 | 0 | 0 | 0 | 112.5 | L27 V50 A51 L56 F99 | L27-L54 HydrophobicContact CD1-CD2 4.14Å; L27-L54 HydrophobicContact CD2-CD1 4.11Å; V50-L54 HydrophobicContact CG1-CD1 3.99Å; V50-L54 PolarHBondContact O-N 3.01Å; A51-L54 CarbonylContact O-C 3.48Å; A51-L54 PolarHBondContact O-N 2.95Å; A51-L54 VanDerWaalsContact O-N 3.08Å; L54-L56 HydrophobicContact CB-CD1 3.82Å; L54-L56 HydrophobicContact CB-CG 3.74Å; L54-L56 HydrophobicContact CD1-CD1 3.79Å; L54-L56 HydrophobicContact CG-CD1 4.49Å; L54-L56 PolarHBondContact O-N 3Å; L54-F99 HydrophobicContact CD1-CD1 4.06Å; L54-F99 HydrophobicContact CD1-CE1 3.6Å; L54-F99 HydrophobicContact CD1-CE2 4.41Å; L54-F99 HydrophobicContact CD1-CZ 3.8Å |
| 55 | E | 94.1 | Very high | 94.3 | Very high | 153 Ų | 153 | 52.3 Ų | 52.3 | 72% | 0.715 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 19.5 | -171.9 | -54.6 | -161 | 171.1 | 0 | 0 | 115.8 | A51 R57 Q113 | A51-E55 PolarHBondContact O-N 3.34Å; E55-R57 PolarHBondContact O-N 3.33Å; E55-Q113 PolarHBondContact O-NE2 3.03Å |
| 56 | L | 94.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | trans | -71.7 | 124.5 | -173.7 | -69.1 | 171.7 | 0 | 0 | 0 | 112.2 | A51 L54 T59 F62 F99 A115 Q119 | A51-L56 HydrophobicContact CB-CB 4.08Å; A51-L56 PolarHBondContact O-N 2.8Å; L54-L56 HydrophobicContact CB-CD1 3.82Å; L54-L56 HydrophobicContact CB-CG 3.74Å; L54-L56 HydrophobicContact CD1-CD1 3.79Å; L54-L56 HydrophobicContact CG-CD1 4.49Å; L54-L56 PolarHBondContact O-N 3Å; L56-T59 HydrophobicContact CB-CG2 4.46Å; L56-T59 VanDerWaalsContact O-CG2 3.25Å; L56-T59 WeakPolarHBondContact O-CG2 3.19Å; L56-F62 HydrophobicContact CD1-CD2 4.07Å; L56-F62 HydrophobicContact CD1-CE2 3.89Å; L56-F62 HydrophobicContact CD1-CZ 4.21Å; L56-F62 HydrophobicContact CD2-CE2 4.07Å; L56-F62 HydrophobicContact CD2-CZ 4.27Å; L56-F99 HydrophobicContact CD1-CE1 4.26Å; L56-F99 HydrophobicContact CD1-CE2 4.46Å; L56-F99 HydrophobicContact CD1-CZ 3.57Å; L56-A115 HydrophobicContact CD2-CB 3.91Å; L56-Q119 HydrophobicContact CD1-CG 4.36Å; L56-Q119 HydrophobicContact CD2-CG 4.3Å | ||
| 57 | R | 93.2 | Very high | 94 | Very high | 210 Ų | 210 | 53 Ų | 53 | 79% | 0.792 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -95.9 | -35.6 | 173.5 | -56.1 | 175.8 | -173 | 179.5 | 3.3 | 111.6 | E55 T59 Q113 | E55-R57 PolarHBondContact O-N 3.33Å; R57-T59 PolarHBondContact O-N 2.7Å; R57-Q113 VanDerWaalsContact CB-OE1 3.27Å |
| 58 | E | 93.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | trans | -83.6 | 46.7 | 178 | -59.8 | 169.3 | 100 | 0 | 0 | 111.8 | H60 Y61 E112 Q113 T116 | E58-H60 PolarHBondContact O-N 2.62Å; E58-Y61 HydrophobicContact CB-CD2 3.8Å; E58-Y61 HydrophobicContact CB-CE2 3.95Å; E58-Y61 HydrophobicContact CG-CE2 4.43Å; E58-Y61 PolarHBondContact O-N 2.91Å; E58-E112 PolarHBondContact OE1-N 3.31Å; E58-E112 PolarHBondContact OE2-N 3.25Å; E58-Q113 VanDerWaalsContact OE2-CB 3.25Å; E58-Q113 WeakPolarHBondContact OE2-CB 3.33Å; E58-Q113 PolarHBondContact OE2-N 2.87Å; E58-T116 HydrophobicContact CB-CG2 4.07Å; E58-T116 WeakPolarHBondContact OE2-CB 3.42Å; E58-T116 WeakPolarHBondContact OE2-CG2 3.25Å; E58-T116 PolarHBondContact OE2-OG1 3.38Å | ||
| 59 | T | 93.3 | Very high | 92.2 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -56.6 | -23.5 | -173.8 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | A51 L56 R57 Y61 F62 | A51-T59 HydrophobicContact CB-CG2 3.44Å; A51-T59 VanDerWaalsContact CB-CG2 3.44Å; L56-T59 HydrophobicContact CB-CG2 4.46Å; L56-T59 VanDerWaalsContact O-CG2 3.25Å; L56-T59 WeakPolarHBondContact O-CG2 3.19Å; R57-T59 PolarHBondContact O-N 2.7Å; T59-Y61 VanDerWaalsContact C-N 3.26Å; T59-Y61 PolarHBondContact O-N 3.42Å; T59-F62 PolarHBondContact O-N 3.27Å; T59-F62 VanDerWaalsContact O-N 3.1Å |
| 60 | H | 91.3 | Very high | 90.6 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 38% | 0.384 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -67.1 | -15.9 | -176.8 | 58.5 | -97.8 | 0 | 0 | 0 | 114.8 | E58 F103 F303 | E58-H60 PolarHBondContact O-N 2.62Å; H60-F103 WeakPolarHBondContact O-CD2 3.48Å; H60-F303 HydrophobicContact CB-CE2 4.23Å; H60-F303 AromaticContact CD2-CE2 3.84Å; H60-F303 WeakPolarHBondContact O-CE2 3.41Å |
| 61 | Y | 94.6 | Very high | 88.8 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -79 | -18.9 | 171.5 | -66.4 | -63.7 | 0 | 0 | 0 | 113.4 | E58 T59 M102 F103 V105 R110 L111 T116 F303 | E58-Y61 HydrophobicContact CB-CD2 3.8Å; E58-Y61 HydrophobicContact CB-CE2 3.95Å; E58-Y61 HydrophobicContact CG-CE2 4.43Å; E58-Y61 PolarHBondContact O-N 2.91Å; T59-Y61 VanDerWaalsContact C-N 3.26Å; T59-Y61 PolarHBondContact O-N 3.42Å; Y61-M102 PolarHBondContact O-N 2.99Å; Y61-F103 PolarHBondContact O-N 2.9Å; Y61-V105 HydrophobicContact CD1-CG1 4.15Å; Y61-V105 HydrophobicContact CE1-CG1 3.4Å; Y61-V105 VanDerWaalsContact CE1-CG1 3.4Å; Y61-R110 PolarHBondContact OH-O 3.2Å; Y61-R110 VanDerWaalsContact OH-O 3.11Å; Y61-L111 HydrophobicContact CD1-CD2 4.48Å; Y61-L111 HydrophobicContact CD2-CD2 3.84Å; Y61-L111 HydrophobicContact CE1-CD2 4.23Å; Y61-L111 HydrophobicContact CE2-CD2 3.51Å; Y61-L111 HydrophobicContact CG-CD2 4.31Å; Y61-T116 HydrophobicContact CD2-CG2 4Å; Y61-F303 HydrophobicContact CD1-CE1 4.42Å; Y61-F303 AromaticContact CD1-CZ 3.71Å; Y61-F303 HydrophobicContact CD1-CZ 3.71Å; Y61-F303 HydrophobicContact CE1-CE1 4.41Å; Y61-F303 AromaticContact CE1-CZ 3.81Å; Y61-F303 HydrophobicContact CE1-CZ 3.81Å |
| 62 | F | 96.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 165.3 | -168.5 | -58.1 | -82.2 | 0 | 0 | 0 | 112.9 | L47 L56 T59 F99 G100 V101 T116 Q119 | L47-F62 HydrophobicContact CD1-CB 4.26Å; L56-F62 HydrophobicContact CD1-CD2 4.07Å; L56-F62 HydrophobicContact CD1-CE2 3.89Å; L56-F62 HydrophobicContact CD1-CZ 4.21Å; L56-F62 HydrophobicContact CD2-CE2 4.07Å; L56-F62 HydrophobicContact CD2-CZ 4.27Å; T59-F62 PolarHBondContact O-N 3.27Å; T59-F62 VanDerWaalsContact O-N 3.1Å; F62-F99 HydrophobicContact CB-CE2 3.59Å; F62-F99 HydrophobicContact CB-CZ 3.7Å; F62-F99 AromaticContact CD1-CE1 3.76Å; F62-F99 HydrophobicContact CD1-CE1 3.76Å; F62-F99 HydrophobicContact CD1-CE2 4.11Å; F62-F99 AromaticContact CD1-CZ 3.34Å; F62-F99 HydrophobicContact CD1-CZ 3.34Å; F62-F99 HydrophobicContact CD2-CZ 4.21Å; F62-F99 HydrophobicContact CE1-CE1 4.14Å; F62-F99 AromaticContact CE1-CZ 3.99Å; F62-F99 HydrophobicContact CE1-CZ 3.99Å; F62-F99 HydrophobicContact CG-CE1 4.34Å; F62-F99 AromaticContact CG-CE2 3.93Å; F62-F99 HydrophobicContact CG-CE2 3.93Å; F62-F99 AromaticContact CG-CZ 3.47Å; F62-F99 HydrophobicContact CG-CZ 3.47Å; F62-F99 VanDerWaalsContact CG-CZ 3.47Å; F62-G100 CarbonylContact C-O 2.97Å; F62-G100 WeakPolarHBondContact CA-O 3.46Å; F62-V101 HydrophobicContact CD1-CG2 4.19Å; F62-V101 HydrophobicContact CE1-CG2 3.92Å; F62-T116 HydrophobicContact CE2-CG2 3.97Å; F62-T116 HydrophobicContact CZ-CG2 3.98Å; F62-Q119 HydrophobicContact CE1-CB 3.69Å; F62-Q119 HydrophobicContact CZ-CB 3.86Å |
| 63 | G | 96.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G100 | G63-G100 PolarHBondContact N-O 3.15Å; G63-G100 PolarHBondContact O-N 2.65Å |
| 64 | L | 96.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.9 | 172.3 | -60.5 | 173.9 | 0 | 0 | 0 | 108.8 | I25 C46 L47 V50 V78 L97 F98 F99 | I25-L64 HydrophobicContact CG2-CD2 3.96Å; C46-L64 HydrophobicContact CB-CD1 3.73Å; C46-L64 VanDerWaalsContact SG-CD1 3.52Å; L47-L64 HydrophobicContact CB-CD1 4.22Å; L47-L64 HydrophobicContact CB-CG 4.38Å; L47-L64 HydrophobicContact CD1-CD2 4.4Å; L47-L64 HydrophobicContact CD1-CG 4.23Å; V50-L64 HydrophobicContact CG2-CD2 4.36Å; L64-V78 HydrophobicContact CB-CB 4.28Å; L64-V78 HydrophobicContact CB-CG2 3.94Å; L64-V78 WeakPolarHBondContact O-CB 3.35Å; L64-V78 WeakPolarHBondContact O-CG2 3.41Å; L64-V78 PolarHBondContact O-N 3.02Å; L64-L97 HydrophobicContact CB-CD2 4.34Å; L64-F98 CarbonylContact C-O 3.55Å; L64-F98 WeakPolarHBondContact CA-O 3.32Å; L64-F99 HydrophobicContact CD2-CB 4.29Å; L64-F99 HydrophobicContact CD2-CD2 4.13Å |
| 65 | W | 94.6 | Very high | 84.5 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 162.3 | 173.3 | 63.6 | -91.6 | 0 | 0 | 0 | 111.8 | Q67 Q75 R76 W77 L97 F98 | W65-Q67 HydrophobicContact CZ3-CG 4.17Å; W65-Q75 HydrophobicContact CE3-CB 3.94Å; W65-Q75 HydrophobicContact CE3-CG 4.01Å; W65-Q75 HydrophobicContact CH2-CG 4.18Å; W65-Q75 HydrophobicContact CZ3-CB 4.12Å; W65-Q75 HydrophobicContact CZ3-CG 3.65Å; W65-R76 CarbonylContact C-O 3.59Å; W65-R76 WeakPolarHBondContact CA-O 3.39Å; W65-R76 WeakPolarHBondContact CB-O 3.35Å; W65-W77 HydrophobicContact CB-CD2 4.15Å; W65-W77 HydrophobicContact CB-CE3 3.94Å; W65-W77 HydrophobicContact CB-CZ3 4.37Å; W65-W77 AromaticContact CD1-CH2 3.88Å; W65-W77 AromaticContact CD1-CZ3 3.75Å; W65-W77 HydrophobicContact CG-CE3 4.48Å; W65-W77 HydrophobicContact CG-CZ3 4.45Å; W65-L97 CarbonylContact O-C 3.5Å; W65-L97 WeakPolarHBondContact O-CA 3.41Å; W65-F98 HydrophobicContact CD2-CB 3.68Å; W65-F98 HydrophobicContact CD2-CD2 4.16Å; W65-F98 HydrophobicContact CD2-CG 4.16Å; W65-F98 AromaticContact CE2-CG 3.9Å; W65-F98 HydrophobicContact CE3-CB 4.18Å; W65-F98 AromaticContact CE3-CD2 3.75Å; W65-F98 HydrophobicContact CE3-CD2 3.75Å; W65-F98 HydrophobicContact CE3-CE2 4.46Å; W65-F98 HydrophobicContact CE3-CG 4.15Å; W65-F98 HydrophobicContact CG-CB 4.16Å; W65-F98 HydrophobicContact CH2-CB 4.04Å; W65-F98 AromaticContact CH2-CD1 3.93Å; W65-F98 HydrophobicContact CH2-CD1 3.93Å; W65-F98 AromaticContact CH2-CD2 3.77Å; W65-F98 HydrophobicContact CH2-CD2 3.77Å; W65-F98 HydrophobicContact CH2-CE1 4.29Å; W65-F98 HydrophobicContact CH2-CE2 4.17Å; W65-F98 AromaticContact CH2-CG 3.65Å; W65-F98 HydrophobicContact CH2-CG 3.65Å; W65-F98 HydrophobicContact CH2-CZ 4.39Å; W65-F98 HydrophobicContact CZ2-CB 3.53Å; W65-F98 AromaticContact CZ2-CD1 3.99Å; W65-F98 HydrophobicContact CZ2-CD1 3.99Å; W65-F98 HydrophobicContact CZ2-CD2 4.18Å; W65-F98 AromaticContact CZ2-CG 3.65Å; W65-F98 HydrophobicContact CZ2-CG 3.65Å; W65-F98 HydrophobicContact CZ3-CB 4.33Å; W65-F98 AromaticContact CZ3-CD2 3.54Å; W65-F98 HydrophobicContact CZ3-CD2 3.54Å; W65-F98 AromaticContact CZ3-CE2 3.89Å; W65-F98 HydrophobicContact CZ3-CE2 3.89Å; W65-F98 AromaticContact CZ3-CG 3.9Å; W65-F98 HydrophobicContact CZ3-CG 3.9Å; W65-F98 HydrophobicContact CZ3-CZ 4.5Å; W65-F98 PolarHBondContact N-O 2.96Å; W65-F98 PolarHBondContact O-N 2.62Å |
| 66 | F | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 164.4 | 177.1 | 56.4 | -95.4 | 0 | 0 | 0 | 111 | R76 V78 Q87 L88 F91 L97 | F66-R76 HydrophobicContact CD2-CB 4.35Å; F66-R76 HydrophobicContact CE1-CG 4.42Å; F66-R76 HydrophobicContact CE2-CB 3.93Å; F66-R76 HydrophobicContact CE2-CG 4.12Å; F66-R76 HydrophobicContact CZ-CB 4.1Å; F66-R76 HydrophobicContact CZ-CG 3.84Å; F66-R76 PolarHBondContact N-O 2.66Å; F66-R76 PolarHBondContact O-N 3.02Å; F66-V78 HydrophobicContact CD1-CG2 3.79Å; F66-V78 HydrophobicContact CE1-CG2 4Å; F66-Q87 HydrophobicContact CE1-CB 4.43Å; F66-L88 HydrophobicContact CB-CD2 3.98Å; F66-L88 HydrophobicContact CD1-CD2 3.91Å; F66-L88 HydrophobicContact CG-CD2 3.9Å; F66-F91 HydrophobicContact CE2-CB 3.65Å; F66-F91 HydrophobicContact CZ-CB 3.91Å; F66-L97 HydrophobicContact CB-CD2 4.09Å; F66-L97 HydrophobicContact CD1-CD2 4.13Å |
| 67 | Q | 89.6 | Confident | 84.2 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 132.5 | 175.3 | -65.8 | 179.7 | 6.2 | 0 | 0 | 111.1 | W65 A74 G92 N93 F98 | W65-Q67 HydrophobicContact CZ3-CG 4.17Å; Q67-A74 CarbonylContact C-O 3.58Å; Q67-A74 WeakPolarHBondContact CA-O 3.29Å; Q67-G92 CarbonylContact O-C 3.58Å; Q67-G92 WeakPolarHBondContact O-CA 3.41Å; Q67-N93 PolarHBondContact O-N 2.92Å; Q67-F98 HydrophobicContact CG-CE2 4.08Å |
| 68 | G | 82.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 149.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A74 F91 | G68-A74 PolarHBondContact N-O 3.02Å; G68-F91 WeakPolarHBondContact CA-O 3.49Å |
| 69 | K | 73.1 | Confident | 84.2 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -69 | -46.9 | 178 | -72.2 | 175.6 | -170.9 | 178.9 | 0 | 114.5 | D89 F91 G92 N93 | K69-D89 PolarHBondContact NZ-O 3.44Å; K69-F91 PolarHBondContact N-O 3.41Å; K69-G92 WeakPolarHBondContact CE-O 3.49Å; K69-N93 HydrophobicContact CG-CB 4.35Å |
| 70 | T | 60.1 | Low | 84.2 | Confident | 135 Ų | 135 | 44.3 Ų | 44.3 | 83% | 0.828 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -153.8 | 15.8 | -162.4 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 71 | Q | 57.4 | Low | 84.2 | Confident | 59 Ų | 59 | 47.6 Ų | 47.6 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -134.3 | 139.9 | -175.4 | -91.5 | 176.3 | -26.6 | 0 | 0 | 111.5 | P73 D286 | Q71-P73 CarbonylContact O-C 3.5Å; Q71-P73 VanDerWaalsContact O-C 3.25Å; Q71-P73 VanDerWaalsContact O-O 3.05Å; Q71-D286 PolarHBondContact NE2-OD1 3.5Å; Q71-D286 PolarHBondContact NE2-OD2 3.19Å |
| 72 | T | 57.9 | Low | 84.2 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.7 | 130.8 | 157 | 0.1 | 0 | 0 | 0 | 0 | 109.1 | E285 | T72-E285 PolarHBondContact OG1-OE2 3.4Š|
| 73 | P | 63.2 | Low | 84.1 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | S | Bend | cis | -77 | 144.8 | -2.7 | 33.6 | -36.2 | 0 | 0 | 0 | 113.4 | Q71 Q75 F222 Y292 | Q71-P73 CarbonylContact O-C 3.5Å; Q71-P73 VanDerWaalsContact O-C 3.25Å; Q71-P73 VanDerWaalsContact O-O 3.05Å; P73-Q75 WeakPolarHBondContact CG-O 3.48Å; P73-Q75 PolarHBondContact O-N 2.87Å; P73-F222 HydrophobicContact CB-CD1 4.26Å; P73-F222 HydrophobicContact CB-CE1 4.22Å; P73-F222 HydrophobicContact CG-CD1 4.11Å; P73-F222 HydrophobicContact CG-CE1 3.92Å; P73-Y292 HydrophobicContact CG-CE1 4.06Å |
| 74 | A | 71.9 | Confident | 83.9 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 59% | 0.587 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -63.4 | -21.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q67 G68 | Q67-A74 CarbonylContact C-O 3.58Å; Q67-A74 WeakPolarHBondContact CA-O 3.29Å; G68-A74 PolarHBondContact N-O 3.02Å |
| 75 | Q | 86.6 | Confident | 83.7 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.1 | 174.3 | -59 | -179.2 | 3 | 0 | 0 | 109.9 | W65 P73 | W65-Q75 HydrophobicContact CE3-CB 3.94Å; W65-Q75 HydrophobicContact CE3-CG 4.01Å; W65-Q75 HydrophobicContact CH2-CG 4.18Å; W65-Q75 HydrophobicContact CZ3-CB 4.12Å; W65-Q75 HydrophobicContact CZ3-CG 3.65Å; P73-Q75 WeakPolarHBondContact CG-O 3.48Å; P73-Q75 PolarHBondContact O-N 2.87Å |
| 76 | R | 89.5 | Confident | 83.6 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 122.6 | -176.5 | -177.5 | 167.6 | -178.5 | 147.2 | 2.4 | 112.4 | W65 F66 Y292 | W65-R76 CarbonylContact C-O 3.59Å; W65-R76 WeakPolarHBondContact CA-O 3.39Å; W65-R76 WeakPolarHBondContact CB-O 3.35Å; F66-R76 HydrophobicContact CD2-CB 4.35Å; F66-R76 HydrophobicContact CE1-CG 4.42Å; F66-R76 HydrophobicContact CE2-CB 3.93Å; F66-R76 HydrophobicContact CE2-CG 4.12Å; F66-R76 HydrophobicContact CZ-CB 4.1Å; F66-R76 HydrophobicContact CZ-CG 3.84Å; F66-R76 PolarHBondContact N-O 2.66Å; F66-R76 PolarHBondContact O-N 3.02Å; R76-Y292 HydrophobicContact CG-CD2 4.25Å; R76-Y292 HydrophobicContact CG-CE1 4.4Å; R76-Y292 HydrophobicContact CG-CE2 3.73Å |
| 77 | W | 93.4 | Very high | 83.5 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 10% | 0.095 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 140.1 | 172.5 | -65.1 | 102.9 | 0 | 0 | 0 | 111.5 | W65 V101 M102 E220 Y292 L296 | W65-W77 HydrophobicContact CB-CD2 4.15Å; W65-W77 HydrophobicContact CB-CE3 3.94Å; W65-W77 HydrophobicContact CB-CZ3 4.37Å; W65-W77 AromaticContact CD1-CH2 3.88Å; W65-W77 AromaticContact CD1-CZ3 3.75Å; W65-W77 HydrophobicContact CG-CE3 4.48Å; W65-W77 HydrophobicContact CG-CZ3 4.45Å; W77-V101 VanDerWaalsContact CH2-O 3.29Å; W77-V101 WeakPolarHBondContact CH2-O 3.46Å; W77-M102 HydrophobicContact CB-CE 3.89Å; W77-M102 HydrophobicContact CD2-CE 4.22Å; W77-M102 HydrophobicContact CD2-CG 4.06Å; W77-M102 HydrophobicContact CD2-SD 4.32Å; W77-M102 HydrophobicContact CE3-CB 4.19Å; W77-M102 HydrophobicContact CE3-CE 4.48Å; W77-M102 HydrophobicContact CE3-CG 3.93Å; W77-M102 HydrophobicContact CE3-SD 4.03Å; W77-M102 HydrophobicContact CG-CE 3.96Å; W77-M102 HydrophobicContact CH2-CB 4.05Å; W77-M102 HydrophobicContact CH2-CG 4.39Å; W77-M102 HydrophobicContact CZ2-CG 4.49Å; W77-M102 HydrophobicContact CZ3-CB 3.85Å; W77-M102 HydrophobicContact CZ3-CG 4.11Å; W77-E220 PolarHBondContact NE1-OE1 3.46Å; W77-E220 PolarHBondContact NE1-OE2 2.98Å; W77-Y292 PolarHBondContact N-OH 3.15Å; W77-L296 HydrophobicContact CG-CD1 4.38Å |
| 78 | V | 94.2 | Very high | 83.5 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | trans | -69.5 | 130.4 | 173.3 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | L64 F66 L80 L84 L97 | L64-V78 HydrophobicContact CB-CB 4.28Å; L64-V78 HydrophobicContact CB-CG2 3.94Å; L64-V78 WeakPolarHBondContact O-CB 3.35Å; L64-V78 WeakPolarHBondContact O-CG2 3.41Å; L64-V78 PolarHBondContact O-N 3.02Å; F66-V78 HydrophobicContact CD1-CG2 3.79Å; F66-V78 HydrophobicContact CE1-CG2 4Å; V78-L80 HydrophobicContact CB-CD2 4.49Å; V78-L80 HydrophobicContact CG1-CD2 4.28Å; V78-L80 PolarHBondContact O-N 2.78Å; V78-L84 HydrophobicContact CG1-CD1 3.85Å; V78-L84 HydrophobicContact CG2-CD1 3.88Å; V78-L97 HydrophobicContact CG2-CD2 3.62Å | ||
| 79 | E | 92.8 | Very high | 83.9 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | trans | -72.8 | 93.4 | 167.6 | -57.8 | -170.8 | -130.2 | 0 | 0 | 108 | E81 K82 Q87 R295 | E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.37Å; E79-K82 HydrophobicContact CB-CB 4.45Å; E79-K82 HydrophobicContact CB-CD 3.99Å; E79-K82 PolarHBondContact O-N 3.47Å; E79-K82 IonicContact OE2-NZ 2.66Å; E79-K82 PolarHBondContact OE2-NZ 3.39Å; E79-Q87 PolarHBondContact O-NE2 2.81Å; E79-R295 VanDerWaalsContact CD-NH1 3.26Å; E79-R295 IonicContact OE1-CZ 2.7Å; E79-R295 IonicContact OE1-NH1 2.69Å; E79-R295 PolarHBondContact OE1-NH1 3.1Å; E79-R295 VanDerWaalsContact OE2-CD 3.31Å; E79-R295 WeakPolarHBondContact OE2-CD 3.43Å; E79-R295 IonicContact OE2-CZ 3.49Å; E79-R295 IonicContact OE2-NE 2.74Å; E79-R295 IonicContact OE2-NH1 2.73Å; E79-R295 PolarHBondContact OE2-NH1 3.16Å | ||
| 80 | L | 92.8 | Very high | 84.6 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -38.2 | -168.3 | -64 | 175.4 | 0 | 0 | 0 | 113.6 | T42 G43 Q44 L47 V78 K82 | T42-L80 WeakPolarHBondContact CB-O 3.43Å; G43-L80 PolarHBondContact N-O 2.9Å; Q44-L80 HydrophobicContact CB-CB 4.36Å; Q44-L80 PolarHBondContact N-O 3.09Å; L47-L80 HydrophobicContact CB-CD2 4.28Å; L47-L80 HydrophobicContact CD2-CD1 3.73Å; L47-L80 HydrophobicContact CD2-CD2 4.1Å; V78-L80 HydrophobicContact CB-CD2 4.49Å; V78-L80 HydrophobicContact CG1-CD2 4.28Å; V78-L80 PolarHBondContact O-N 2.78Å; L80-K82 PolarHBondContact O-N 3.44Å |
| 81 | E | 91.8 | Very high | 85.9 | Confident | 152 Ų | 152 | 56.4 Ų | 56.4 | 71% | 0.71 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 3.3 | 178.3 | -60.1 | 176 | 175.5 | 0 | 0 | 114.3 | E79 K302 | E79-E81 VanDerWaalsContact C-N 3.26Å; E79-E81 PolarHBondContact O-N 3.37Å; E81-K302 IonicContact OE1-NZ 3.43Å; E81-K302 PolarHBondContact OE1-NZ 2.75Å |
| 82 | K | 93.3 | Very high | 87.1 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -127.8 | 150.8 | -172 | -71.8 | 169.7 | -173.3 | 156.9 | 0 | 113.8 | T42 G43 E79 L80 L84 Q87 | T42-K82 WeakPolarHBondContact CA-O 3.29Å; G43-K82 PolarHBondContact N-O 3.1Å; G43-K82 VanDerWaalsContact N-O 3.12Å; E79-K82 HydrophobicContact CB-CB 4.45Å; E79-K82 HydrophobicContact CB-CD 3.99Å; E79-K82 PolarHBondContact O-N 3.47Å; E79-K82 IonicContact OE2-NZ 2.66Å; E79-K82 PolarHBondContact OE2-NZ 3.39Å; L80-K82 PolarHBondContact O-N 3.44Å; K82-L84 PolarHBondContact O-N 3.45Å; K82-L84 VanDerWaalsContact O-N 3.09Å; K82-Q87 PolarHBondContact O-NE2 3.27Å; K82-Q87 VanDerWaalsContact O-NE2 3.12Å |
| 83 | P | 94.3 | Very high | 88.2 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 24% | 0.24 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -53.8 | 115.3 | 178.4 | -27.7 | 35.3 | 0 | 0 | 0 | 112.3 | E40 S41 K85 K86 | E40-P83 WeakPolarHBondContact O-CB 3.49Å; S41-P83 CarbonylContact O-C 3.51Å; S41-P83 WeakPolarHBondContact O-CA 3.39Å; P83-K85 PolarHBondContact O-N 3.27Å; P83-K86 HydrophobicContact CB-CD 4.12Å; P83-K86 HydrophobicContact CB-CG 4.32Å; P83-K86 HydrophobicContact CG-CD 4.45Å; P83-K86 PolarHBondContact O-N 3.12Å |
| 84 | L | 94.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -43.5 | -169.3 | 173.4 | 56.5 | 0 | 0 | 0 | 111.9 | F21 L37 S41 C46 V78 K82 K86 Q87 L88 L97 | F21-L84 HydrophobicContact CZ-CB 4.32Å; F21-L84 HydrophobicContact CZ-CD2 4.15Å; F21-L84 HydrophobicContact CZ-CG 4.08Å; L37-L84 HydrophobicContact CD1-CD2 3.66Å; S41-L84 PolarHBondContact O-N 3.16Å; C46-L84 HydrophobicContact CB-CD2 3.64Å; V78-L84 HydrophobicContact CG1-CD1 3.85Å; V78-L84 HydrophobicContact CG2-CD1 3.88Å; K82-L84 PolarHBondContact O-N 3.45Å; K82-L84 VanDerWaalsContact O-N 3.09Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.41Å; L84-Q87 WeakPolarHBondContact O-CB 3.47Å; L84-Q87 PolarHBondContact O-N 3.11Å; L84-L88 HydrophobicContact CD1-CD1 4.16Å; L84-L88 HydrophobicContact CD1-CG 4.17Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 PolarHBondContact O-N 3.06Å; L84-L88 VanDerWaalsContact O-N 3.09Å; L84-L97 HydrophobicContact CD1-CD1 4.11Å; L84-L97 HydrophobicContact CD1-CD2 4.23Å; L84-L97 HydrophobicContact CD2-CD1 3.8Å; L84-L97 HydrophobicContact CG-CD1 4.42Å |
| 85 | K | 92.1 | Very high | 89 | Confident | 54 Ų | 54 | 60 Ų | 60 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 179.7 | -177 | 167.6 | -176.9 | 170.1 | 0 | 113 | F21 V39 P83 Q87 L88 D89 | F21-K85 HydrophobicContact CB-CD 4.31Å; F21-K85 HydrophobicContact CD1-CB 4.06Å; F21-K85 HydrophobicContact CD1-CD 4.04Å; F21-K85 HydrophobicContact CD1-CG 4.45Å; F21-K85 HydrophobicContact CE1-CB 3.74Å; F21-K85 HydrophobicContact CE2-CB 4.43Å; F21-K85 HydrophobicContact CG-CD 4.12Å; F21-K85 HydrophobicContact CZ-CB 3.94Å; V39-K85 HydrophobicContact CB-CD 4.08Å; V39-K85 HydrophobicContact CG1-CD 3.66Å; P83-K85 PolarHBondContact O-N 3.27Å; K85-Q87 PolarHBondContact O-N 3.3Å; K85-L88 PolarHBondContact O-N 2.94Å; K85-D89 VanDerWaalsContact CE-OD2 3.29Å; K85-D89 WeakPolarHBondContact CE-OD2 3.42Å; K85-D89 WeakPolarHBondContact CG-OD2 3.25Å; K85-D89 VanDerWaalsContact O-CB 3.3Å; K85-D89 WeakPolarHBondContact O-CB 3.46Å; K85-D89 VanDerWaalsContact O-CG 3.25Å; K85-D89 PolarHBondContact O-N 2.86Å |
| 86 | K | 91.5 | Very high | 89 | Confident | 143 Ų | 143 | 56.5 Ų | 56.5 | 62% | 0.622 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.1 | -25.4 | 179.6 | -63.8 | 178.8 | -175 | 169.5 | 0 | 112.5 | P83 L84 K90 | P83-K86 HydrophobicContact CB-CD 4.12Å; P83-K86 HydrophobicContact CB-CG 4.32Å; P83-K86 HydrophobicContact CG-CD 4.45Å; P83-K86 PolarHBondContact O-N 3.12Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 3.41Å; K86-K90 WeakPolarHBondContact O-CB 3.25Å; K86-K90 PolarHBondContact O-N 3.48Å |
| 87 | Q | 91.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -78.3 | -46.3 | 176.4 | -55.1 | -175.1 | 64.6 | 0 | 0 | 110.7 | F66 E79 K82 L84 K85 F91 | F66-Q87 HydrophobicContact CE1-CB 4.43Å; E79-Q87 PolarHBondContact O-NE2 2.81Å; K82-Q87 PolarHBondContact O-NE2 3.27Å; K82-Q87 VanDerWaalsContact O-NE2 3.12Å; L84-Q87 WeakPolarHBondContact O-CB 3.47Å; L84-Q87 PolarHBondContact O-N 3.11Å; K85-Q87 PolarHBondContact O-N 3.3Å; Q87-F91 WeakPolarHBondContact O-CB 3.37Å; Q87-F91 PolarHBondContact O-N 2.92Å |
| 88 | L | 90.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -52.5 | 175.2 | -66 | 173.8 | 0 | 0 | 0 | 111.6 | F21 F66 L84 K85 K90 F91 G92 L97 | F21-L88 HydrophobicContact CE2-CD1 4.02Å; F66-L88 HydrophobicContact CB-CD2 3.98Å; F66-L88 HydrophobicContact CD1-CD2 3.91Å; F66-L88 HydrophobicContact CG-CD2 3.9Å; L84-L88 HydrophobicContact CD1-CD1 4.16Å; L84-L88 HydrophobicContact CD1-CG 4.17Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 PolarHBondContact O-N 3.06Å; L84-L88 VanDerWaalsContact O-N 3.09Å; K85-L88 PolarHBondContact O-N 2.94Å; L88-K90 PolarHBondContact O-N 3.27Å; L88-F91 PolarHBondContact O-N 3.05Å; L88-G92 PolarHBondContact O-N 3.19Å; L88-L97 HydrophobicContact CD1-CD1 4.49Å; L88-L97 HydrophobicContact CD2-CD2 4.15Å; L88-L97 HydrophobicContact CD2-CG 4.44Å |
| 89 | D | 89.4 | Confident | 89.6 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -54.1 | -41.1 | 179.9 | -73.7 | -12 | 0 | 0 | 0 | 111.5 | K69 K85 | K69-D89 PolarHBondContact NZ-O 3.44Å; K85-D89 VanDerWaalsContact CE-OD2 3.29Å; K85-D89 WeakPolarHBondContact CE-OD2 3.42Å; K85-D89 WeakPolarHBondContact CG-OD2 3.25Å; K85-D89 VanDerWaalsContact O-CB 3.3Å; K85-D89 WeakPolarHBondContact O-CB 3.46Å; K85-D89 VanDerWaalsContact O-CG 3.25Å; K85-D89 PolarHBondContact O-N 2.86Å |
| 90 | K | 88.6 | Confident | 89.7 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.3 | -56.1 | 176.7 | -172.9 | 179.4 | 170.8 | -167.1 | 0 | 112.6 | K86 L88 E288 | K86-K90 WeakPolarHBondContact O-CB 3.25Å; K86-K90 PolarHBondContact O-N 3.48Å; L88-K90 PolarHBondContact O-N 3.27Å; K90-E288 IonicContact NZ-OE1 3.92Å; K90-E288 PolarHBondContact NZ-OE1 3.4Å; K90-E288 IonicContact NZ-OE2 2.74Å; K90-E288 PolarHBondContact NZ-OE2 3.46Å |
| 91 | F | 86.5 | Confident | 89.9 | Confident | 35 Ų | 35 | 52 Ų | 52 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -108.6 | -25.7 | -161.6 | -59.7 | -70.2 | 0 | 0 | 0 | 115.3 | F66 G68 K69 Q87 L88 | F66-F91 HydrophobicContact CE2-CB 3.65Å; F66-F91 HydrophobicContact CZ-CB 3.91Å; G68-F91 WeakPolarHBondContact CA-O 3.49Å; K69-F91 PolarHBondContact N-O 3.41Å; Q87-F91 WeakPolarHBondContact O-CB 3.37Å; Q87-F91 PolarHBondContact O-N 2.92Å; L88-F91 PolarHBondContact O-N 3.05Å |
| 92 | G | 83.9 | Confident | 89.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -88.5 | 129.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q67 K69 L88 | Q67-G92 CarbonylContact O-C 3.58Å; Q67-G92 WeakPolarHBondContact O-CA 3.41Å; K69-G92 WeakPolarHBondContact CE-O 3.49Å; L88-G92 PolarHBondContact O-N 3.19Å |
| 93 | N | 80.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 42.8 Ų | 42.8 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -62.5 | -45.2 | -176.6 | -165.5 | 31.7 | 0 | 0 | 0 | 112.3 | Q67 K69 | Q67-N93 PolarHBondContact O-N 2.92Å; K69-N93 HydrophobicContact CG-CB 4.35Å |
| 94 | E | 75.3 | Confident | 89.9 | Confident | 118 Ų | 118 | 41.9 Ų | 41.9 | 55% | 0.551 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -126.5 | 161.1 | 177.9 | -66.5 | -163.5 | 152.4 | 0 | 0 | 110.9 | Q96 | E94-Q96 PolarHBondContact O-N 2.6Š|
| 95 | P | 75.8 | Confident | 89.7 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -74 | 27.7 | 172.2 | 33.9 | -37.7 | 0 | 0 | 0 | 113.4 | T23 R24 | T23-P95 PolarHBondContact OG1-O 3.06Å; R24-P95 PolarHBondContact N-O 3.41Å |
| 96 | Q | 88.5 | Confident | 89.4 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.7 | 174.8 | -172.7 | 173.3 | -64.4 | 0 | 0 | 110.8 | R24 E94 F98 | R24-Q96 HydrophobicContact CB-CG 4.36Å; R24-Q96 CarbonylContact O-C 3.51Å; R24-Q96 WeakPolarHBondContact O-CA 3.43Å; E94-Q96 PolarHBondContact O-N 2.6Å; Q96-F98 HydrophobicContact CG-CE2 4.3Å; Q96-F98 HydrophobicContact CG-CZ 4.37Å; Q96-F98 VanDerWaalsContact NE2-CE1 3.32Å |
| 97 | L | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 163.6 | 171.2 | -72.3 | 159.1 | 0 | 0 | 0 | 109.5 | T23 R24 I25 R26 L64 W65 F66 V78 L84 L88 | T23-L97 HydrophobicContact CG2-CD1 3.9Å; T23-L97 WeakPolarHBondContact OG1-CD1 3.17Å; R24-L97 PolarHBondContact O-N 2.97Å; I25-L97 CarbonylContact C-O 3.57Å; I25-L97 WeakPolarHBondContact CA-O 3.23Å; I25-L97 HydrophobicContact CG1-CB 4.11Å; I25-L97 HydrophobicContact CG1-CD1 4.38Å; R26-L97 PolarHBondContact N-O 3.33Å; L64-L97 HydrophobicContact CB-CD2 4.34Å; W65-L97 CarbonylContact O-C 3.5Å; W65-L97 WeakPolarHBondContact O-CA 3.41Å; F66-L97 HydrophobicContact CB-CD2 4.09Å; F66-L97 HydrophobicContact CD1-CD2 4.13Å; V78-L97 HydrophobicContact CG2-CD2 3.62Å; L84-L97 HydrophobicContact CD1-CD1 4.11Å; L84-L97 HydrophobicContact CD1-CD2 4.23Å; L84-L97 HydrophobicContact CD2-CD1 3.8Å; L84-L97 HydrophobicContact CG-CD1 4.42Å; L88-L97 HydrophobicContact CD1-CD1 4.49Å; L88-L97 HydrophobicContact CD2-CD2 4.15Å; L88-L97 HydrophobicContact CD2-CG 4.44Å |
| 98 | F | 95.8 | Very high | 89 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.4 | 175.9 | -59.7 | -99.3 | 0 | 0 | 0 | 107.8 | R26 L64 W65 Q67 Q96 | R26-F98 HydrophobicContact CB-CD1 3.92Å; R26-F98 HydrophobicContact CB-CE1 4.29Å; R26-F98 CarbonylContact O-C 3.59Å; R26-F98 WeakPolarHBondContact O-CA 3.24Å; L64-F98 CarbonylContact C-O 3.55Å; L64-F98 WeakPolarHBondContact CA-O 3.32Å; W65-F98 HydrophobicContact CD2-CB 3.68Å; W65-F98 HydrophobicContact CD2-CD2 4.16Å; W65-F98 HydrophobicContact CD2-CG 4.16Å; W65-F98 AromaticContact CE2-CG 3.9Å; W65-F98 HydrophobicContact CE3-CB 4.18Å; W65-F98 AromaticContact CE3-CD2 3.75Å; W65-F98 HydrophobicContact CE3-CD2 3.75Å; W65-F98 HydrophobicContact CE3-CE2 4.46Å; W65-F98 HydrophobicContact CE3-CG 4.15Å; W65-F98 HydrophobicContact CG-CB 4.16Å; W65-F98 HydrophobicContact CH2-CB 4.04Å; W65-F98 AromaticContact CH2-CD1 3.93Å; W65-F98 HydrophobicContact CH2-CD1 3.93Å; W65-F98 AromaticContact CH2-CD2 3.77Å; W65-F98 HydrophobicContact CH2-CD2 3.77Å; W65-F98 HydrophobicContact CH2-CE1 4.29Å; W65-F98 HydrophobicContact CH2-CE2 4.17Å; W65-F98 AromaticContact CH2-CG 3.65Å; W65-F98 HydrophobicContact CH2-CG 3.65Å; W65-F98 HydrophobicContact CH2-CZ 4.39Å; W65-F98 HydrophobicContact CZ2-CB 3.53Å; W65-F98 AromaticContact CZ2-CD1 3.99Å; W65-F98 HydrophobicContact CZ2-CD1 3.99Å; W65-F98 HydrophobicContact CZ2-CD2 4.18Å; W65-F98 AromaticContact CZ2-CG 3.65Å; W65-F98 HydrophobicContact CZ2-CG 3.65Å; W65-F98 HydrophobicContact CZ3-CB 4.33Å; W65-F98 AromaticContact CZ3-CD2 3.54Å; W65-F98 HydrophobicContact CZ3-CD2 3.54Å; W65-F98 AromaticContact CZ3-CE2 3.89Å; W65-F98 HydrophobicContact CZ3-CE2 3.89Å; W65-F98 AromaticContact CZ3-CG 3.9Å; W65-F98 HydrophobicContact CZ3-CG 3.9Å; W65-F98 HydrophobicContact CZ3-CZ 4.5Å; W65-F98 PolarHBondContact N-O 2.96Å; W65-F98 PolarHBondContact O-N 2.62Å; Q67-F98 HydrophobicContact CG-CE2 4.08Å; Q96-F98 HydrophobicContact CG-CE2 4.3Å; Q96-F98 HydrophobicContact CG-CZ 4.37Å; Q96-F98 VanDerWaalsContact NE2-CE1 3.32Å |
| 99 | F | 97.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 146.4 | 171.5 | 179.2 | -105.5 | 0 | 0 | 0 | 109.6 | I25 R26 L27 L28 L47 V50 L54 L56 F62 L64 Q119 | I25-F99 HydrophobicContact CG2-CB 3.93Å; R26-F99 PolarHBondContact O-N 3.09Å; L27-F99 HydrophobicContact CD2-CB 3.97Å; L27-F99 HydrophobicContact CD2-CD1 4.28Å; L27-F99 HydrophobicContact CD2-CG 4.23Å; L28-F99 HydrophobicContact CD1-CD1 4.06Å; L28-F99 HydrophobicContact CD1-CE1 4.17Å; L28-F99 WeakPolarHBondContact CD2-O 3.3Å; L28-F99 HydrophobicContact CG-CD1 4.11Å; L47-F99 HydrophobicContact CD1-CD2 4.04Å; L47-F99 HydrophobicContact CD1-CE2 3.76Å; V50-F99 HydrophobicContact CG1-CB 4.46Å; V50-F99 HydrophobicContact CG1-CD2 3.57Å; V50-F99 HydrophobicContact CG1-CE2 3.9Å; V50-F99 HydrophobicContact CG1-CG 4.03Å; L54-F99 HydrophobicContact CD1-CD1 4.06Å; L54-F99 HydrophobicContact CD1-CE1 3.6Å; L54-F99 HydrophobicContact CD1-CE2 4.41Å; L54-F99 HydrophobicContact CD1-CZ 3.8Å; L56-F99 HydrophobicContact CD1-CE1 4.26Å; L56-F99 HydrophobicContact CD1-CE2 4.46Å; L56-F99 HydrophobicContact CD1-CZ 3.57Å; F62-F99 HydrophobicContact CB-CE2 3.59Å; F62-F99 HydrophobicContact CB-CZ 3.7Å; F62-F99 AromaticContact CD1-CE1 3.76Å; F62-F99 HydrophobicContact CD1-CE1 3.76Å; F62-F99 HydrophobicContact CD1-CE2 4.11Å; F62-F99 AromaticContact CD1-CZ 3.34Å; F62-F99 HydrophobicContact CD1-CZ 3.34Å; F62-F99 HydrophobicContact CD2-CZ 4.21Å; F62-F99 HydrophobicContact CE1-CE1 4.14Å; F62-F99 AromaticContact CE1-CZ 3.99Å; F62-F99 HydrophobicContact CE1-CZ 3.99Å; F62-F99 HydrophobicContact CG-CE1 4.34Å; F62-F99 AromaticContact CG-CE2 3.93Å; F62-F99 HydrophobicContact CG-CE2 3.93Å; F62-F99 AromaticContact CG-CZ 3.47Å; F62-F99 HydrophobicContact CG-CZ 3.47Å; F62-F99 VanDerWaalsContact CG-CZ 3.47Å; L64-F99 HydrophobicContact CD2-CB 4.29Å; L64-F99 HydrophobicContact CD2-CD2 4.13Å; F99-Q119 HydrophobicContact CE1-CG 4.41Å |
| 100 | G | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 167.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F62 G63 M102 Q123 | F62-G100 CarbonylContact C-O 2.97Å; F62-G100 WeakPolarHBondContact CA-O 3.46Å; G63-G100 PolarHBondContact N-O 3.15Å; G63-G100 PolarHBondContact O-N 2.65Å; G100-M102 PolarHBondContact O-N 2.89Å; G100-Q123 VanDerWaalsContact CA-OE1 3.23Å |
| 101 | V | 95.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 120.5 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | F62 W77 F103 Y104 Y120 Q123 | F62-V101 HydrophobicContact CD1-CG2 4.19Å; F62-V101 HydrophobicContact CE1-CG2 3.92Å; W77-V101 VanDerWaalsContact CH2-O 3.29Å; W77-V101 WeakPolarHBondContact CH2-O 3.46Å; V101-F103 WeakPolarHBondContact CG1-O 3.07Å; V101-Y104 HydrophobicContact CB-CE2 4.06Å; V101-Y104 HydrophobicContact CG1-CD2 3.89Å; V101-Y104 HydrophobicContact CG1-CE1 4.43Å; V101-Y104 HydrophobicContact CG1-CE2 3.71Å; V101-Y104 HydrophobicContact CG1-CG 4.26Å; V101-Y104 WeakPolarHBondContact O-CE2 3.48Å; V101-Y120 HydrophobicContact CG1-CD2 3.97Å; V101-Y120 HydrophobicContact CG1-CE2 3.71Å; V101-Y120 HydrophobicContact CG2-CD2 3.93Å; V101-Y120 HydrophobicContact CG2-CE2 4.47Å; V101-Y120 HydrophobicContact CG2-CG 4.28Å; V101-Q123 HydrophobicContact CB-CB 4.45Å; V101-Q123 HydrophobicContact CB-CG 3.92Å; V101-Q123 HydrophobicContact CG2-CB 3.73Å; V101-Q123 HydrophobicContact CG2-CG 3.76Å |
| 102 | M | 93.4 | Very high | 89.1 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.069 | 22% | 0.219 | C | C | . | . | trans | -98.2 | -25.1 | 179.8 | -170.2 | 174.7 | -173.9 | 0 | 0 | 112.2 | Y61 W77 G100 L296 R300 | Y61-M102 PolarHBondContact O-N 2.99Å; W77-M102 HydrophobicContact CB-CE 3.89Å; W77-M102 HydrophobicContact CD2-CE 4.22Å; W77-M102 HydrophobicContact CD2-CG 4.06Å; W77-M102 HydrophobicContact CD2-SD 4.32Å; W77-M102 HydrophobicContact CE3-CB 4.19Å; W77-M102 HydrophobicContact CE3-CE 4.48Å; W77-M102 HydrophobicContact CE3-CG 3.93Å; W77-M102 HydrophobicContact CE3-SD 4.03Å; W77-M102 HydrophobicContact CG-CE 3.96Å; W77-M102 HydrophobicContact CH2-CB 4.05Å; W77-M102 HydrophobicContact CH2-CG 4.39Å; W77-M102 HydrophobicContact CZ2-CG 4.49Å; W77-M102 HydrophobicContact CZ3-CB 3.85Å; W77-M102 HydrophobicContact CZ3-CG 4.11Å; G100-M102 PolarHBondContact O-N 2.89Å; M102-L296 HydrophobicContact CE-CD1 3.59Å; M102-R300 VanDerWaalsContact O-CZ 3.23Å; M102-R300 PolarHBondContact O-NE 3.21Å; M102-R300 PolarHBondContact O-NH2 3.18Å | ||
| 103 | F | 92.9 | Very high | 89.6 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -134.3 | 122.6 | -179.6 | -48.4 | -90.8 | 0 | 0 | 0 | 110.5 | H60 Y61 V101 R300 F303 Y304 | H60-F103 WeakPolarHBondContact O-CD2 3.48Å; Y61-F103 PolarHBondContact O-N 2.9Å; V101-F103 WeakPolarHBondContact CG1-O 3.07Å; F103-R300 HydrophobicContact CD1-CG 3.91Å; F103-R300 HydrophobicContact CE1-CB 4.45Å; F103-R300 HydrophobicContact CE1-CG 3.85Å; F103-F303 HydrophobicContact CB-CD1 3.65Å; F103-F303 HydrophobicContact CB-CD2 4.4Å; F103-F303 HydrophobicContact CB-CE1 3.35Å; F103-F303 HydrophobicContact CB-CE2 4.15Å; F103-F303 HydrophobicContact CB-CG 4.18Å; F103-F303 HydrophobicContact CB-CZ 3.63Å; F103-F303 HydrophobicContact CD1-CB 3.66Å; F103-F303 AromaticContact CD1-CD1 3.56Å; F103-F303 HydrophobicContact CD1-CD1 3.56Å; F103-F303 AromaticContact CD1-CD2 3.94Å; F103-F303 HydrophobicContact CD1-CD2 3.94Å; F103-F303 HydrophobicContact CD1-CE1 4.19Å; F103-F303 AromaticContact CD1-CG 3.43Å; F103-F303 HydrophobicContact CD1-CG 3.43Å; F103-F303 VanDerWaalsContact CD1-CG 3.43Å; F103-F303 AromaticContact CD2-CD2 3.97Å; F103-F303 HydrophobicContact CD2-CD2 3.97Å; F103-F303 AromaticContact CD2-CE2 3.98Å; F103-F303 HydrophobicContact CD2-CE2 3.98Å; F103-F303 HydrophobicContact CD2-CG 4.29Å; F103-F303 HydrophobicContact CD2-CZ 4.31Å; F103-F303 HydrophobicContact CE1-CB 3.6Å; F103-F303 HydrophobicContact CE1-CD1 4.37Å; F103-F303 HydrophobicContact CE1-CD2 4.16Å; F103-F303 AromaticContact CE1-CG 3.8Å; F103-F303 HydrophobicContact CE1-CG 3.8Å; F103-F303 HydrophobicContact CE2-CD2 4.19Å; F103-F303 HydrophobicContact CG-CB 4.42Å; F103-F303 AromaticContact CG-CD1 3.7Å; F103-F303 HydrophobicContact CG-CD1 3.7Å; F103-F303 AromaticContact CG-CD2 3.85Å; F103-F303 HydrophobicContact CG-CD2 3.85Å; F103-F303 AromaticContact CG-CE1 3.84Å; F103-F303 HydrophobicContact CG-CE1 3.84Å; F103-F303 AromaticContact CG-CE2 3.97Å; F103-F303 HydrophobicContact CG-CE2 3.97Å; F103-F303 AromaticContact CG-CG 3.72Å; F103-F303 HydrophobicContact CG-CG 3.72Å; F103-F303 AromaticContact CG-CZ 3.97Å; F103-F303 HydrophobicContact CG-CZ 3.97Å; F103-F303 HydrophobicContact CZ-CB 4.32Å; F103-F303 HydrophobicContact CZ-CD2 4.28Å; F103-F303 HydrophobicContact CZ-CG 4.38Å; F103-Y304 HydrophobicContact CB-CE1 4.41Å |
| 104 | Y | 92.9 | Very high | 90.2 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | trans | -97.6 | 147.2 | -173.1 | -71 | -116.5 | 0 | 0 | 0 | 109.9 | V101 Y120 Q123 V124 E127 F217 G218 F238 Y304 | V101-Y104 HydrophobicContact CB-CE2 4.06Å; V101-Y104 HydrophobicContact CG1-CD2 3.89Å; V101-Y104 HydrophobicContact CG1-CE1 4.43Å; V101-Y104 HydrophobicContact CG1-CE2 3.71Å; V101-Y104 HydrophobicContact CG1-CG 4.26Å; V101-Y104 WeakPolarHBondContact O-CE2 3.48Å; Y104-Y120 VanDerWaalsContact CA-OH 3.23Å; Y104-Y120 WeakPolarHBondContact CA-OH 3.3Å; Y104-Y120 VanDerWaalsContact CB-OH 3.31Å; Y104-Y120 WeakPolarHBondContact CB-OH 3.3Å; Y104-Y120 HydrophobicContact CD1-CE1 4.38Å; Y104-Y120 AromaticContact CD1-CZ 3.96Å; Y104-Y120 WeakPolarHBondContact CD1-OH 3.36Å; Y104-Q123 WeakPolarHBondContact OH-CG 3.4Å; Y104-Q123 PolarHBondContact OH-NE2 3.21Å; Y104-V124 HydrophobicContact CE1-CG1 4.38Å; Y104-E127 PolarHBondContact OH-OE1 3.02Å; Y104-F217 HydrophobicContact CD1-CE2 4.13Å; Y104-F217 HydrophobicContact CD1-CZ 4.37Å; Y104-G218 VanDerWaalsContact CD1-CA 3.44Å; Y104-G218 VanDerWaalsContact CG-CA 3.46Å; Y104-F238 WeakPolarHBondContact O-CB 3.47Å; Y104-Y304 PolarHBondContact N-OH 3.31Å; Y104-Y304 WeakPolarHBondContact O-CE1 3.45Å | ||
| 105 | V | 90.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | trans | -100.2 | 145.2 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | Y61 N107 R110 L111 Y120 | Y61-V105 HydrophobicContact CD1-CG1 4.15Å; Y61-V105 HydrophobicContact CE1-CG1 3.4Å; Y61-V105 VanDerWaalsContact CE1-CG1 3.4Å; V105-N107 WeakPolarHBondContact CG2-O 3.34Å; V105-N107 PolarHBondContact O-N 3.04Å; V105-R110 HydrophobicContact CB-CB 4.21Å; V105-R110 HydrophobicContact CG1-CB 4.04Å; V105-L111 HydrophobicContact CG1-CD2 4.1Å; V105-L111 HydrophobicContact CG2-CD1 4.38Å; V105-L111 HydrophobicContact CG2-CD2 3.9Å; V105-L111 HydrophobicContact CG2-CG 4.02Å; V105-Y120 HydrophobicContact CG2-CE2 4.26Å; V105-Y120 PolarHBondContact N-OH 2.78Å | ||
| 106 | P | 85.4 | Confident | 92 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 32% | 0.318 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -72.6 | -6.6 | 177.7 | 29.7 | -37.6 | 0 | 0 | 0 | 114 | F238 I309 | P106-F238 HydrophobicContact CB-CD2 3.6Å; P106-F238 HydrophobicContact CB-CE2 3.62Å; P106-F238 HydrophobicContact CB-CG 4.41Å; P106-F238 HydrophobicContact CB-CZ 4.46Å; P106-F238 HydrophobicContact CG-CD2 4.43Å; P106-I309 HydrophobicContact CG-CG2 4.04Å |
| 107 | N | 85.3 | Confident | 92.3 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 32% | 0.321 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -159.8 | 130.2 | 175.5 | -172 | -94.1 | 0 | 0 | 0 | 109 | V105 S109 R110 E212 | V105-N107 WeakPolarHBondContact CG2-O 3.34Å; V105-N107 PolarHBondContact O-N 3.04Å; N107-S109 PolarHBondContact O-N 3.04Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-S109 WeakPolarHBondContact OD1-CB 3.38Å; N107-S109 PolarHBondContact OD1-N 3.36Å; N107-S109 PolarHBondContact OD1-OG 2.9Å; N107-R110 PolarHBondContact O-N 3.02Å; N107-E212 WeakPolarHBondContact CA-OE2 3.37Å; N107-E212 PolarHBondContact ND2-OE1 2.89Å |
| 108 | V | 89.1 | Confident | 92.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -58.2 | -22.1 | -178.4 | 67.9 | 0 | 0 | 0 | 0 | 114.6 | R110 L111 L205 I208 K209 E212 | V108-R110 PolarHBondContact O-N 3.48Å; V108-L111 HydrophobicContact CG2-CD1 4.16Å; V108-L111 WeakPolarHBondContact O-CB 3.38Å; V108-L111 PolarHBondContact O-N 3.42Å; V108-L205 HydrophobicContact CB-CD1 4.27Å; V108-L205 HydrophobicContact CG1-CD1 3.52Å; V108-L205 HydrophobicContact CG2-CD1 3.72Å; V108-I208 HydrophobicContact CB-CB 4.38Å; V108-I208 HydrophobicContact CB-CG2 3.79Å; V108-I208 HydrophobicContact CG2-CB 4.02Å; V108-I208 HydrophobicContact CG2-CD1 3.88Å; V108-I208 HydrophobicContact CG2-CG2 3.7Å; V108-K209 HydrophobicContact CG1-CD 4.3Å; V108-K209 HydrophobicContact CG1-CG 3.66Å; V108-E212 PolarHBondContact N-OE2 3.02Å |
| 109 | S | 87.4 | Confident | 92.4 | Very high | 90 Ų | 90 | 37.7 Ų | 37.7 | 63% | 0.629 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -67.3 | -1 | 178 | -37.8 | 0 | 0 | 0 | 0 | 114.1 | N107 | N107-S109 PolarHBondContact O-N 3.04Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-S109 WeakPolarHBondContact OD1-CB 3.38Å; N107-S109 PolarHBondContact OD1-N 3.36Å; N107-S109 PolarHBondContact OD1-OG 2.9Å |
| 110 | R | 88 | Confident | 92.4 | Very high | 86 Ų | 86 | 37.6 Ų | 37.6 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -86.6 | -4.8 | 169 | -72 | 178.6 | 169.6 | -105.7 | 8.7 | 113.9 | Y61 V105 N107 V108 N307 K308 | Y61-R110 PolarHBondContact OH-O 3.2Å; Y61-R110 VanDerWaalsContact OH-O 3.11Å; V105-R110 HydrophobicContact CB-CB 4.21Å; V105-R110 HydrophobicContact CG1-CB 4.04Å; N107-R110 PolarHBondContact O-N 3.02Å; V108-R110 PolarHBondContact O-N 3.48Å; R110-N307 PolarHBondContact NH1-O 2.65Å; R110-K308 PolarHBondContact NH1-O 2.83Å; R110-K308 PolarHBondContact NH2-O 3.47Å |
| 111 | L | 92 | Very high | 92.4 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -99.6 | 102.4 | 177.9 | -52.3 | -176.9 | 0 | 0 | 0 | 109.3 | Y61 V105 V108 T116 R117 Y120 | Y61-L111 HydrophobicContact CD1-CD2 4.48Å; Y61-L111 HydrophobicContact CD2-CD2 3.84Å; Y61-L111 HydrophobicContact CE1-CD2 4.23Å; Y61-L111 HydrophobicContact CE2-CD2 3.51Å; Y61-L111 HydrophobicContact CG-CD2 4.31Å; V105-L111 HydrophobicContact CG1-CD2 4.1Å; V105-L111 HydrophobicContact CG2-CD1 4.38Å; V105-L111 HydrophobicContact CG2-CD2 3.9Å; V105-L111 HydrophobicContact CG2-CG 4.02Å; V108-L111 HydrophobicContact CG2-CD1 4.16Å; V108-L111 WeakPolarHBondContact O-CB 3.38Å; V108-L111 PolarHBondContact O-N 3.42Å; L111-T116 HydrophobicContact CB-CG2 4.22Å; L111-T116 HydrophobicContact CD1-CG2 4.41Å; L111-T116 HydrophobicContact CD2-CG2 4.02Å; L111-T116 HydrophobicContact CG-CG2 4.43Å; L111-R117 HydrophobicContact CB-CG 3.83Å; L111-R117 HydrophobicContact CD1-CG 4.37Å; L111-R117 PolarHBondContact O-NH1 3.19Å; L111-Y120 HydrophobicContact CD1-CD1 4.31Å; L111-Y120 HydrophobicContact CD1-CD2 3.56Å; L111-Y120 HydrophobicContact CD1-CE2 4.07Å; L111-Y120 HydrophobicContact CD1-CG 3.68Å; L111-Y120 HydrophobicContact CD2-CD2 4.45Å | ||
| 112 | E | 91.1 | Very high | 92.5 | Very high | 173 Ų | 173 | 38.2 Ų | 38.2 | 81% | 0.808 | 19% | 0.191 | S | C | * | . | trans | -75.3 | -41.4 | -170.5 | -64.9 | -174.1 | 176.1 | 0 | 0 | 112.3 | E58 R117 | E58-E112 PolarHBondContact OE1-N 3.31Å; E58-E112 PolarHBondContact OE2-N 3.25Å; E112-R117 VanDerWaalsContact C-NH1 3.34Å; E112-R117 PolarHBondContact O-NH1 3.32Å | ||
| 113 | Q | 94 | Very high | 92.6 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -89.1 | 142.7 | -175.8 | -175.3 | -178.2 | 0.4 | 0 | 0 | 112.4 | E55 R57 E58 A115 T116 R117 | E55-Q113 PolarHBondContact O-NE2 3.03Å; R57-Q113 VanDerWaalsContact CB-OE1 3.27Å; E58-Q113 VanDerWaalsContact OE2-CB 3.25Å; E58-Q113 WeakPolarHBondContact OE2-CB 3.33Å; E58-Q113 PolarHBondContact OE2-N 2.87Å; Q113-A115 HydrophobicContact CG-CB 4.23Å; Q113-T116 WeakPolarHBondContact O-CB 3.21Å; Q113-T116 PolarHBondContact O-N 2.62Å; Q113-R117 PolarHBondContact O-N 3.48Å; Q113-R117 VanDerWaalsContact O-N 3.13Å |
| 114 | E | 92.4 | Very high | 92.7 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.1 | -160 | 141.6 | 113.9 | 0 | 0 | 113.2 | T116 R117 Y118 A201 Y799 | E114-T116 PolarHBondContact O-N 3.41Å; E114-R117 CarbonylContact O-C 3.54Å; E114-R117 WeakPolarHBondContact O-CA 3.5Å; E114-R117 WeakPolarHBondContact O-CB 3.44Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-R117 IonicContact OE2-NH2 3.69Å; E114-R117 PolarHBondContact OE2-NH2 3.04Å; E114-Y118 PolarHBondContact O-N 2.7Å; E114-A201 VanDerWaalsContact CD-CB 3.48Å; E114-A201 HydrophobicContact CG-CB 3.81Å; E114-Y799 WeakPolarHBondContact OE1-CE2 3.43Å |
| 115 | A | 93.5 | Very high | 92.8 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 24% | 0.24 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -34.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L56 Q113 Q119 | L56-A115 HydrophobicContact CD2-CB 3.91Å; Q113-A115 HydrophobicContact CG-CB 4.23Å; A115-Q119 VanDerWaalsContact O-CG 3.31Å; A115-Q119 WeakPolarHBondContact O-CG 3.4Å; A115-Q119 PolarHBondContact O-N 2.7Å |
| 116 | T | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 172.9 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | E58 Y61 F62 L111 Q113 E114 Q119 Y120 | E58-T116 HydrophobicContact CB-CG2 4.07Å; E58-T116 WeakPolarHBondContact OE2-CB 3.42Å; E58-T116 WeakPolarHBondContact OE2-CG2 3.25Å; E58-T116 PolarHBondContact OE2-OG1 3.38Å; Y61-T116 HydrophobicContact CD2-CG2 4Å; F62-T116 HydrophobicContact CE2-CG2 3.97Å; F62-T116 HydrophobicContact CZ-CG2 3.98Å; L111-T116 HydrophobicContact CB-CG2 4.22Å; L111-T116 HydrophobicContact CD1-CG2 4.41Å; L111-T116 HydrophobicContact CD2-CG2 4.02Å; L111-T116 HydrophobicContact CG-CG2 4.43Å; Q113-T116 WeakPolarHBondContact O-CB 3.21Å; Q113-T116 PolarHBondContact O-N 2.62Å; E114-T116 PolarHBondContact O-N 3.41Å; T116-Q119 PolarHBondContact O-N 3.33Å; T116-Y120 VanDerWaalsContact O-CB 3.3Å; T116-Y120 WeakPolarHBondContact O-CB 3.39Å; T116-Y120 PolarHBondContact O-N 2.79Å |
| 117 | R | 95.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.4 | -67.2 | -174 | -67.2 | -87.8 | 4 | 111.7 | L111 E112 Q113 E114 Y120 Y121 I208 | L111-R117 HydrophobicContact CB-CG 3.83Å; L111-R117 HydrophobicContact CD1-CG 4.37Å; L111-R117 PolarHBondContact O-NH1 3.19Å; E112-R117 VanDerWaalsContact C-NH1 3.34Å; E112-R117 PolarHBondContact O-NH1 3.32Å; Q113-R117 PolarHBondContact O-N 3.48Å; Q113-R117 VanDerWaalsContact O-N 3.13Å; E114-R117 CarbonylContact O-C 3.54Å; E114-R117 WeakPolarHBondContact O-CA 3.5Å; E114-R117 WeakPolarHBondContact O-CB 3.44Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-R117 IonicContact OE2-NH2 3.69Å; E114-R117 PolarHBondContact OE2-NH2 3.04Å; R117-Y120 CarbonylContact O-C 3.55Å; R117-Y120 WeakPolarHBondContact O-CB 3.42Å; R117-Y120 PolarHBondContact O-N 3.39Å; R117-Y121 WeakPolarHBondContact O-CB 3.28Å; R117-Y121 PolarHBondContact O-N 2.85Å; R117-I208 WeakPolarHBondContact O-CD1 3.37Å |
| 118 | Y | 96.2 | Very high | 93.8 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 178.4 | 179.2 | -110.3 | 0 | 0 | 0 | 112.4 | E114 Y120 Y121 L122 E204 | E114-Y118 PolarHBondContact O-N 2.7Å; Y118-Y120 VanDerWaalsContact C-N 3.29Å; Y118-Y120 PolarHBondContact O-N 3.5Å; Y118-Y121 HydrophobicContact CD2-CD1 4.19Å; Y118-Y121 HydrophobicContact CE2-CD1 4.34Å; Y118-Y121 WeakPolarHBondContact O-CB 3.39Å; Y118-Y121 PolarHBondContact O-N 3.43Å; Y118-L122 HydrophobicContact CD1-CD1 4.06Å; Y118-L122 HydrophobicContact CE1-CD1 3.55Å; Y118-L122 HydrophobicContact CE1-CG 4.28Å; Y118-L122 HydrophobicContact CE2-CD1 4.48Å; Y118-L122 HydrophobicContact CE2-CD2 4.44Å; Y118-L122 HydrophobicContact CE2-CG 4.39Å; Y118-L122 WeakPolarHBondContact O-CG 3.47Å; Y118-L122 PolarHBondContact O-N 3.33Å; Y118-E204 VanDerWaalsContact CA-OE2 3.26Å; Y118-E204 WeakPolarHBondContact CA-OE2 3.3Å; Y118-E204 WeakPolarHBondContact CB-OE2 3.38Å |
| 119 | Q | 96.4 | Very high | 94 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 175.6 | -66.3 | -66.2 | -42.3 | 0 | 0 | 111.7 | L28 L56 F62 F99 A115 T116 L122 Q123 | L28-Q119 HydrophobicContact CD1-CB 4.36Å; L28-Q119 VanDerWaalsContact CD1-O 3.26Å; L28-Q119 WeakPolarHBondContact CD1-O 3.47Å; L56-Q119 HydrophobicContact CD1-CG 4.36Å; L56-Q119 HydrophobicContact CD2-CG 4.3Å; F62-Q119 HydrophobicContact CE1-CB 3.69Å; F62-Q119 HydrophobicContact CZ-CB 3.86Å; F99-Q119 HydrophobicContact CE1-CG 4.41Å; A115-Q119 VanDerWaalsContact O-CG 3.31Å; A115-Q119 WeakPolarHBondContact O-CG 3.4Å; A115-Q119 PolarHBondContact O-N 2.7Å; T116-Q119 PolarHBondContact O-N 3.33Å; Q119-L122 PolarHBondContact O-N 3.37Å; Q119-Q123 PolarHBondContact O-N 3.08Å; Q119-Q123 VanDerWaalsContact O-N 3.13Å |
| 120 | Y | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.5 | -39.5 | 174.4 | -153.1 | -75.9 | 0 | 0 | 0 | 111.8 | V101 Y104 V105 L111 T116 R117 Y118 Q123 V124 I208 F217 | V101-Y120 HydrophobicContact CG1-CD2 3.97Å; V101-Y120 HydrophobicContact CG1-CE2 3.71Å; V101-Y120 HydrophobicContact CG2-CD2 3.93Å; V101-Y120 HydrophobicContact CG2-CE2 4.47Å; V101-Y120 HydrophobicContact CG2-CG 4.28Å; Y104-Y120 VanDerWaalsContact CA-OH 3.23Å; Y104-Y120 WeakPolarHBondContact CA-OH 3.3Å; Y104-Y120 VanDerWaalsContact CB-OH 3.31Å; Y104-Y120 WeakPolarHBondContact CB-OH 3.3Å; Y104-Y120 HydrophobicContact CD1-CE1 4.38Å; Y104-Y120 AromaticContact CD1-CZ 3.96Å; Y104-Y120 WeakPolarHBondContact CD1-OH 3.36Å; V105-Y120 HydrophobicContact CG2-CE2 4.26Å; V105-Y120 PolarHBondContact N-OH 2.78Å; L111-Y120 HydrophobicContact CD1-CD1 4.31Å; L111-Y120 HydrophobicContact CD1-CD2 3.56Å; L111-Y120 HydrophobicContact CD1-CE2 4.07Å; L111-Y120 HydrophobicContact CD1-CG 3.68Å; L111-Y120 HydrophobicContact CD2-CD2 4.45Å; T116-Y120 VanDerWaalsContact O-CB 3.3Å; T116-Y120 WeakPolarHBondContact O-CB 3.39Å; T116-Y120 PolarHBondContact O-N 2.79Å; R117-Y120 CarbonylContact O-C 3.55Å; R117-Y120 WeakPolarHBondContact O-CB 3.42Å; R117-Y120 PolarHBondContact O-N 3.39Å; Y118-Y120 VanDerWaalsContact C-N 3.29Å; Y118-Y120 PolarHBondContact O-N 3.5Å; Y120-Q123 PolarHBondContact O-N 3.29Å; Y120-V124 HydrophobicContact CD1-CG1 3.93Å; Y120-V124 HydrophobicContact CE1-CG1 3.93Å; Y120-V124 WeakPolarHBondContact O-CG1 3.45Å; Y120-V124 WeakPolarHBondContact O-CG2 3.21Å; Y120-V124 PolarHBondContact O-N 3.38Å; Y120-V124 VanDerWaalsContact O-N 3.07Å; Y120-I208 HydrophobicContact CD1-CD1 4.29Å; Y120-I208 HydrophobicContact CD1-CG1 4.47Å; Y120-I208 HydrophobicContact CD1-CG2 4.04Å; Y120-I208 HydrophobicContact CE1-CG2 4.11Å; Y120-F217 HydrophobicContact CE1-CE2 4.11Å; Y120-F217 AromaticContact CE1-CZ 3.95Å; Y120-F217 HydrophobicContact CE1-CZ 3.95Å |
| 121 | Y | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 171.9 | 157.9 | -106.8 | 0 | 0 | 0 | 111.1 | R117 Y118 Q123 V124 K125 A147 A150 D151 E204 Y207 | R117-Y121 WeakPolarHBondContact O-CB 3.28Å; R117-Y121 PolarHBondContact O-N 2.85Å; Y118-Y121 HydrophobicContact CD2-CD1 4.19Å; Y118-Y121 HydrophobicContact CE2-CD1 4.34Å; Y118-Y121 WeakPolarHBondContact O-CB 3.39Å; Y118-Y121 PolarHBondContact O-N 3.43Å; Y121-Q123 VanDerWaalsContact C-N 3.34Å; Y121-Q123 PolarHBondContact O-N 2.73Å; Y121-V124 WeakPolarHBondContact O-CG2 3.35Å; Y121-V124 PolarHBondContact O-N 3.26Å; Y121-K125 HydrophobicContact CE1-CD 4.15Å; Y121-K125 HydrophobicContact CE2-CB 4.35Å; Y121-K125 HydrophobicContact CE2-CD 4.09Å; Y121-K125 WeakPolarHBondContact O-CB 3.4Å; Y121-K125 PolarHBondContact O-N 3.38Å; Y121-K125 PolarHBondContact OH-NZ 2.83Å; Y121-K125 VanDerWaalsContact OH-NZ 3.13Å; Y121-A147 HydrophobicContact CE2-CB 4.5Å; Y121-A147 WeakPolarHBondContact OH-CA 3.46Å; Y121-A147 WeakPolarHBondContact OH-CB 3.29Å; Y121-A147 PolarHBondContact OH-O 3.43Å; Y121-A150 HydrophobicContact CE1-CB 4.24Å; Y121-A150 HydrophobicContact CE2-CB 4.33Å; Y121-D151 PolarHBondContact OH-OD1 2.73Å; Y121-E204 HydrophobicContact CD1-CG 3.86Å; Y121-E204 HydrophobicContact CD2-CB 4.39Å; Y121-E204 HydrophobicContact CD2-CG 4.39Å; Y121-E204 HydrophobicContact CE1-CG 4.25Å; Y121-E204 HydrophobicContact CG-CB 4.12Å; Y121-E204 HydrophobicContact CG-CG 3.93Å; Y121-Y207 AromaticContact CD2-CD1 3.72Å; Y121-Y207 HydrophobicContact CD2-CD1 3.72Å; Y121-Y207 HydrophobicContact CD2-CD2 4.43Å; Y121-Y207 HydrophobicContact CD2-CE1 4.4Å; Y121-Y207 AromaticContact CD2-CG 3.77Å; Y121-Y207 HydrophobicContact CD2-CG 3.77Å; Y121-Y207 AromaticContact CE2-CD1 3.96Å; Y121-Y207 HydrophobicContact CE2-CD1 3.96Å; Y121-Y207 AromaticContact CE2-CD2 3.88Å; Y121-Y207 HydrophobicContact CE2-CD2 3.88Å; Y121-Y207 HydrophobicContact CE2-CE1 4.43Å; Y121-Y207 HydrophobicContact CE2-CE2 4.36Å; Y121-Y207 AromaticContact CE2-CG 3.68Å; Y121-Y207 HydrophobicContact CE2-CG 3.68Å |
| 122 | L | 96.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.073 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 178.7 | -68.2 | 175 | 0 | 0 | 0 | 112.5 | L28 D29 Y118 Q119 K126 | L28-L122 HydrophobicContact CB-CB 3.76Å; L28-L122 HydrophobicContact CB-CD1 4.17Å; D29-L122 HydrophobicContact CB-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CD1 4.06Å; Y118-L122 HydrophobicContact CE1-CD1 3.55Å; Y118-L122 HydrophobicContact CE1-CG 4.28Å; Y118-L122 HydrophobicContact CE2-CD1 4.48Å; Y118-L122 HydrophobicContact CE2-CD2 4.44Å; Y118-L122 HydrophobicContact CE2-CG 4.39Å; Y118-L122 WeakPolarHBondContact O-CG 3.47Å; Y118-L122 PolarHBondContact O-N 3.33Å; Q119-L122 PolarHBondContact O-N 3.37Å; L122-K126 WeakPolarHBondContact O-CB 3.4Å; L122-K126 PolarHBondContact O-N 3.26Å |
| 123 | Q | 96.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 11% | 0.112 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.5 | -54.8 | 174.2 | 176.8 | 81.7 | 46.8 | 0 | 0 | 111.5 | L28 G100 V101 Y104 Q119 Y120 Y121 K126 E127 | L28-Q123 HydrophobicContact CD1-CB 4.05Å; L28-Q123 HydrophobicContact CD2-CB 4.33Å; G100-Q123 VanDerWaalsContact CA-OE1 3.23Å; V101-Q123 HydrophobicContact CB-CB 4.45Å; V101-Q123 HydrophobicContact CB-CG 3.92Å; V101-Q123 HydrophobicContact CG2-CB 3.73Å; V101-Q123 HydrophobicContact CG2-CG 3.76Å; Y104-Q123 WeakPolarHBondContact OH-CG 3.4Å; Y104-Q123 PolarHBondContact OH-NE2 3.21Å; Q119-Q123 PolarHBondContact O-N 3.08Å; Q119-Q123 VanDerWaalsContact O-N 3.13Å; Y120-Q123 PolarHBondContact O-N 3.29Å; Y121-Q123 VanDerWaalsContact C-N 3.34Å; Y121-Q123 PolarHBondContact O-N 2.73Å; Q123-K126 WeakPolarHBondContact O-CB 3.33Å; Q123-K126 PolarHBondContact O-N 3.33Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.39Å; Q123-E127 PolarHBondContact NE2-OE1 3.3Å; Q123-E127 WeakPolarHBondContact O-CG 3.39Å; Q123-E127 PolarHBondContact O-N 3.22Å |
| 124 | V | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.8 | -30.4 | -172.6 | -57 | 0 | 0 | 0 | 0 | 112.3 | Y104 Y120 Y121 E127 V128 Y207 I208 V211 F217 | Y104-V124 HydrophobicContact CE1-CG1 4.38Å; Y120-V124 HydrophobicContact CD1-CG1 3.93Å; Y120-V124 HydrophobicContact CE1-CG1 3.93Å; Y120-V124 WeakPolarHBondContact O-CG1 3.45Å; Y120-V124 WeakPolarHBondContact O-CG2 3.21Å; Y120-V124 PolarHBondContact O-N 3.38Å; Y120-V124 VanDerWaalsContact O-N 3.07Å; Y121-V124 WeakPolarHBondContact O-CG2 3.35Å; Y121-V124 PolarHBondContact O-N 3.26Å; V124-E127 PolarHBondContact O-N 2.95Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.84Å; V124-V128 VanDerWaalsContact O-N 3.07Å; V124-Y207 HydrophobicContact CG2-CD1 4.07Å; V124-Y207 HydrophobicContact CG2-CE1 4.04Å; V124-I208 HydrophobicContact CG2-CG1 4.17Å; V124-V211 HydrophobicContact CB-CB 4.47Å; V124-V211 HydrophobicContact CB-CG1 3.91Å; V124-V211 HydrophobicContact CG2-CB 4.34Å; V124-V211 HydrophobicContact CG2-CG1 4.33Å; V124-V211 HydrophobicContact CG2-CG2 4.4Å; V124-F217 HydrophobicContact CG1-CE2 3.96Å |
| 125 | K | 95.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 169.3 | 178 | -172.2 | -173.7 | 175.6 | 0 | 110.9 | Y121 E127 V128 L129 D151 Y167 Y207 | Y121-K125 HydrophobicContact CE1-CD 4.15Å; Y121-K125 HydrophobicContact CE2-CB 4.35Å; Y121-K125 HydrophobicContact CE2-CD 4.09Å; Y121-K125 WeakPolarHBondContact O-CB 3.4Å; Y121-K125 PolarHBondContact O-N 3.38Å; Y121-K125 PolarHBondContact OH-NZ 2.83Å; Y121-K125 VanDerWaalsContact OH-NZ 3.13Å; K125-E127 PolarHBondContact O-N 2.81Å; K125-V128 PolarHBondContact O-N 3.25Å; K125-L129 HydrophobicContact CG-CD1 4.29Å; K125-L129 WeakPolarHBondContact O-CG 3.49Å; K125-L129 PolarHBondContact O-N 3.32Å; K125-D151 IonicContact NZ-OD1 3.1Å; K125-D151 PolarHBondContact NZ-OD1 3.1Å; K125-D151 IonicContact NZ-OD2 2.59Å; K125-D151 PolarHBondContact NZ-OD2 2.93Å; K125-Y167 VanDerWaalsContact CE-OH 3.24Å; K125-Y167 WeakPolarHBondContact CE-OH 3.47Å; K125-Y167 PolarHBondContact NZ-OH 3.37Å; K125-Y207 WeakPolarHBondContact CA-OH 3.36Å; K125-Y207 HydrophobicContact CB-CE1 3.93Å |
| 126 | K | 93.9 | Very high | 93.5 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 27% | 0.27 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.1 | 178.2 | 175.2 | 174 | 177.5 | 0 | 111.7 | L122 Q123 V128 L129 D130 | L122-K126 WeakPolarHBondContact O-CB 3.4Å; L122-K126 PolarHBondContact O-N 3.26Å; Q123-K126 WeakPolarHBondContact O-CB 3.33Å; Q123-K126 PolarHBondContact O-N 3.33Å; K126-V128 VanDerWaalsContact C-N 3.27Å; K126-V128 PolarHBondContact O-N 2.83Å; K126-L129 PolarHBondContact O-N 3.46Å; K126-L129 VanDerWaalsContact O-N 3.15Å; K126-D130 WeakPolarHBondContact CE-OD2 3.41Å; K126-D130 WeakPolarHBondContact CG-OD2 3.15Å; K126-D130 VanDerWaalsContact O-CB 3.27Å; K126-D130 WeakPolarHBondContact O-CB 3.43Å; K126-D130 VanDerWaalsContact O-CG 3.3Å; K126-D130 PolarHBondContact O-N 3.44Å |
| 127 | E | 93.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -31.9 | 178.3 | -73.8 | 167.8 | -162.4 | 0 | 0 | 113.6 | Y104 Q123 V124 K125 H132 L133 | Y104-E127 PolarHBondContact OH-OE1 3.02Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.39Å; Q123-E127 PolarHBondContact NE2-OE1 3.3Å; Q123-E127 WeakPolarHBondContact O-CG 3.39Å; Q123-E127 PolarHBondContact O-N 3.22Å; V124-E127 PolarHBondContact O-N 2.95Å; K125-E127 PolarHBondContact O-N 2.81Å; E127-H132 HydrophobicContact CB-CB 4.38Å; E127-H132 WeakPolarHBondContact O-CA 3.4Å; E127-H132 WeakPolarHBondContact O-CB 3.28Å; E127-H132 PolarHBondContact O-N 3.32Å; E127-L133 HydrophobicContact CB-CD1 3.76Å; E127-L133 HydrophobicContact CB-CG 3.89Å; E127-L133 PolarHBondContact O-N 2.95Å; E127-L133 WeakPolarHBondContact OE2-CD1 3.19Å |
| 128 | V | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -48.4 | 170.8 | 172 | 0 | 0 | 0 | 0 | 110.7 | V124 K125 K126 G131 L133 L143 P171 V211 L214 | V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.84Å; V124-V128 VanDerWaalsContact O-N 3.07Å; K125-V128 PolarHBondContact O-N 3.25Å; K126-V128 VanDerWaalsContact C-N 3.27Å; K126-V128 PolarHBondContact O-N 2.83Å; V128-G131 WeakPolarHBondContact O-CA 3.39Å; V128-G131 PolarHBondContact O-N 2.96Å; V128-L133 HydrophobicContact CG2-CB 4.02Å; V128-L133 HydrophobicContact CG2-CD1 4.4Å; V128-L143 HydrophobicContact CG1-CD1 4.32Å; V128-L143 HydrophobicContact CG2-CD1 4.3Å; V128-P171 HydrophobicContact CG1-CG 4.2Å; V128-P171 WeakPolarHBondContact O-CB 3.12Å; V128-P171 WeakPolarHBondContact O-CG 3.44Å; V128-V211 HydrophobicContact CG2-CG1 4.48Å; V128-V211 HydrophobicContact CG2-CG2 4.05Å; V128-L214 HydrophobicContact CG2-CD1 4.09Å |
| 129 | L | 92.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -38 | -178 | -66.1 | 179.7 | 0 | 0 | 0 | 113.6 | K125 K126 G131 V168 P171 V172 | K125-L129 HydrophobicContact CG-CD1 4.29Å; K125-L129 WeakPolarHBondContact O-CG 3.49Å; K125-L129 PolarHBondContact O-N 3.32Å; K126-L129 PolarHBondContact O-N 3.46Å; K126-L129 VanDerWaalsContact O-N 3.15Å; L129-G131 PolarHBondContact O-N 2.81Å; L129-V168 HydrophobicContact CD1-CG1 4.22Å; L129-V168 HydrophobicContact CD2-CG1 4.27Å; L129-P171 WeakPolarHBondContact O-CA 3.49Å; L129-V172 WeakPolarHBondContact O-CG2 3.49Å; L129-V172 PolarHBondContact O-N 3.17Å |
| 130 | D | 90.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.6 | 171.3 | -72.1 | -3.7 | 0 | 0 | 0 | 111.9 | K126 H132 L784 | K126-D130 WeakPolarHBondContact CE-OD2 3.41Å; K126-D130 WeakPolarHBondContact CG-OD2 3.15Å; K126-D130 VanDerWaalsContact O-CB 3.27Å; K126-D130 WeakPolarHBondContact O-CB 3.43Å; K126-D130 VanDerWaalsContact O-CG 3.3Å; K126-D130 PolarHBondContact O-N 3.44Å; D130-H132 VanDerWaalsContact C-N 3.3Å; D130-H132 PolarHBondContact O-N 3.09Å; D130-H132 IonicContact OD2-CD2 2.59Å; D130-L784 WeakPolarHBondContact OD1-CD2 3.35Å |
| 131 | G | 88.5 | Confident | 92.7 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 10.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V128 L129 | V128-G131 WeakPolarHBondContact O-CA 3.39Å; V128-G131 PolarHBondContact O-N 2.96Å; L129-G131 PolarHBondContact O-N 2.81Å |
| 132 | H | 87.7 | Confident | 92.7 | Very high | 130 Ų | 130 | 49.6 Ų | 49.6 | 60% | 0.602 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -69.5 | -36.9 | 176 | -75.2 | -50.5 | 0 | 0 | 0 | 112.4 | E127 D130 | E127-H132 HydrophobicContact CB-CB 4.38Å; E127-H132 WeakPolarHBondContact O-CA 3.4Å; E127-H132 WeakPolarHBondContact O-CB 3.28Å; E127-H132 PolarHBondContact O-N 3.32Å; D130-H132 VanDerWaalsContact C-N 3.3Å; D130-H132 PolarHBondContact O-N 3.09Å; D130-H132 IonicContact OD2-CD2 2.59Å |
| 133 | L | 90.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -101.6 | 111.1 | 171.8 | -67.9 | 177 | 0 | 0 | 0 | 110.1 | E127 V128 V211 L214 | E127-L133 HydrophobicContact CB-CD1 3.76Å; E127-L133 HydrophobicContact CB-CG 3.89Å; E127-L133 PolarHBondContact O-N 2.95Å; E127-L133 WeakPolarHBondContact OE2-CD1 3.19Å; V128-L133 HydrophobicContact CG2-CB 4.02Å; V128-L133 HydrophobicContact CG2-CD1 4.4Å; L133-V211 HydrophobicContact CD1-CG1 3.51Å; L133-L214 HydrophobicContact CB-CD1 4.2Å |
| 134 | Q | 87.4 | Confident | 92.6 | Very high | 153 Ų | 153 | 48.1 Ų | 48.1 | 72% | 0.715 | 23% | 0.233 | S | C | * | . | trans | -77.5 | 125.2 | -178.7 | -64.5 | -176.3 | -6.2 | 0 | 0 | 110.6 | ||||
| 135 | C | 91 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | trans | -124.7 | 157.2 | 173.3 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | R139 L214 | C135-R139 HydrophobicContact CB-CB 4.15Å; C135-L214 HydrophobicContact CB-CD1 3.97Å; C135-L214 HydrophobicContact CB-CD2 3.79Å | ||
| 136 | T | 92.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | trans | -74.6 | 159.9 | 170.3 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | E138 R139 G140 | T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 2.84Å; T136-R139 PolarHBondContact O-N 3.15Å; T136-R139 PolarHBondContact OG1-N 2.89Å; T136-G140 PolarHBondContact O-N 3.2Å | ||
| 137 | V | 91 | Very high | 92.8 | Very high | 59 Ų | 59 | 45.1 Ų | 45.1 | 36% | 0.358 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -50.9 | -48.7 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | R139 G140 I141 W174 W184 | V137-R139 PolarHBondContact O-N 3.45Å; V137-G140 PolarHBondContact O-N 2.69Å; V137-I141 HydrophobicContact CG1-CD1 3.85Å; V137-I141 WeakPolarHBondContact O-CG1 3.34Å; V137-I141 PolarHBondContact O-N 3.48Å; V137-W174 VanDerWaalsContact CA-CH2 3.46Å; V137-W174 HydrophobicContact CB-CH2 4.41Å; V137-W174 HydrophobicContact CG1-CZ3 4.4Å; V137-W184 HydrophobicContact CG1-CD2 4.17Å; V137-W184 HydrophobicContact CG1-CZ2 3.87Å; V137-W184 HydrophobicContact CG2-CZ2 4.16Å |
| 138 | E | 92 | Very high | 92.9 | Very high | 147 Ų | 147 | 44 Ų | 44 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.7 | -42.5 | 177 | -60.5 | 174.1 | 175.8 | 0 | 0 | 113.5 | T136 R142 | T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 PolarHBondContact O-N 2.84Å; E138-R142 PolarHBondContact O-N 2.96Å |
| 139 | R | 93.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 33% | 0.328 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -71.5 | -39.7 | 178.1 | -74.5 | -167 | -171.2 | -175.3 | 5.5 | 111.5 | C135 T136 V137 R142 L143 E210 K213 | C135-R139 HydrophobicContact CB-CB 4.15Å; T136-R139 PolarHBondContact O-N 3.15Å; T136-R139 PolarHBondContact OG1-N 2.89Å; V137-R139 PolarHBondContact O-N 3.45Å; R139-R142 PolarHBondContact O-N 3.38Å; R139-L143 WeakPolarHBondContact O-CB 3.45Å; R139-L143 VanDerWaalsContact O-CG 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.47Å; R139-L143 PolarHBondContact O-N 3.14Å; R139-E210 IonicContact NE-OE1 2.77Å; R139-K213 PolarHBondContact NH1-O 3.48Å |
| 140 | G | 93.6 | Very high | 93 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T136 V137 L143 A144 | T136-G140 PolarHBondContact O-N 3.2Å; V137-G140 PolarHBondContact O-N 2.69Å; G140-L143 PolarHBondContact O-N 3.27Å; G140-A144 WeakPolarHBondContact O-CB 3.07Å; G140-A144 PolarHBondContact O-N 2.99Å |
| 141 | I | 94.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.3 | -71.2 | 169.1 | 0 | 0 | 0 | 111.4 | V137 A144 G145 F170 W184 K187 V188 E191 | V137-I141 HydrophobicContact CG1-CD1 3.85Å; V137-I141 WeakPolarHBondContact O-CG1 3.34Å; V137-I141 PolarHBondContact O-N 3.48Å; I141-A144 PolarHBondContact O-N 3.48Å; I141-G145 PolarHBondContact O-N 3.12Å; I141-F170 HydrophobicContact CG1-CE1 3.89Å; I141-F170 HydrophobicContact CG1-CZ 4.41Å; I141-W184 HydrophobicContact CD1-CB 4.17Å; I141-W184 HydrophobicContact CD1-CG 4.09Å; I141-W184 HydrophobicContact CG1-CB 4.36Å; I141-K187 HydrophobicContact CD1-CB 4.21Å; I141-K187 HydrophobicContact CD1-CD 4.15Å; I141-K187 HydrophobicContact CG2-CB 3.86Å; I141-V188 HydrophobicContact CB-CG2 4.41Å; I141-V188 HydrophobicContact CG1-CG2 4.49Å; I141-V188 HydrophobicContact CG2-CG2 4.06Å; I141-E191 HydrophobicContact CG2-CG 4.19Å |
| 142 | R | 95.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 44.6 Ų | 44.6 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 175.2 | -80.2 | 176.7 | 177.6 | 168.1 | 7.6 | 113.6 | E138 R139 A144 G145 L146 E191 | E138-R142 PolarHBondContact O-N 2.96Å; R139-R142 PolarHBondContact O-N 3.38Å; R142-A144 VanDerWaalsContact C-N 3.31Å; R142-A144 PolarHBondContact O-N 3.47Å; R142-G145 PolarHBondContact O-N 2.87Å; R142-L146 WeakPolarHBondContact O-CB 3.41Å; R142-L146 WeakPolarHBondContact O-CG 3.29Å; R142-L146 PolarHBondContact O-N 3.42Å; R142-E191 HydrophobicContact CG-CG 4.18Å; R142-E191 WeakPolarHBondContact CG-OE1 3.48Å; R142-E191 IonicContact CZ-OE1 2.7Å; R142-E191 IonicContact NE-OE1 3.59Å; R142-E191 PolarHBondContact NE-OE1 3.22Å; R142-E191 IonicContact NH2-OE1 3.69Å |
| 143 | L | 96.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 174.4 | -73.5 | 171.2 | 0 | 0 | 0 | 110.1 | V128 R139 G140 G145 L146 A147 Y207 E210 V211 L214 | V128-L143 HydrophobicContact CG1-CD1 4.32Å; V128-L143 HydrophobicContact CG2-CD1 4.3Å; R139-L143 WeakPolarHBondContact O-CB 3.45Å; R139-L143 VanDerWaalsContact O-CG 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.47Å; R139-L143 PolarHBondContact O-N 3.14Å; G140-L143 PolarHBondContact O-N 3.27Å; L143-G145 PolarHBondContact O-N 3.11Å; L143-L146 PolarHBondContact O-N 3.03Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3.28Å; L143-Y207 HydrophobicContact CB-CD2 4.25Å; L143-Y207 HydrophobicContact CB-CE2 3.63Å; L143-Y207 HydrophobicContact CD2-CD1 4.16Å; L143-Y207 HydrophobicContact CD2-CD2 3.84Å; L143-Y207 HydrophobicContact CD2-CE1 4.1Å; L143-Y207 HydrophobicContact CD2-CE2 3.79Å; L143-Y207 HydrophobicContact CD2-CG 4.01Å; L143-Y207 HydrophobicContact CG-CE2 4.3Å; L143-Y207 VanDerWaalsContact O-CD2 3.26Å; L143-Y207 WeakPolarHBondContact O-CD2 3.35Å; L143-Y207 WeakPolarHBondContact O-CE2 3.36Å; L143-E210 HydrophobicContact CD2-CB 3.84Å; L143-E210 HydrophobicContact CD2-CG 4.13Å; L143-E210 HydrophobicContact CG-CG 4.44Å; L143-V211 HydrophobicContact CD1-CG2 4.06Å; L143-V211 HydrophobicContact CD2-CG2 3.54Å; L143-V211 HydrophobicContact CG-CG2 4.48Å; L143-L214 HydrophobicContact CD1-CD1 4.29Å |
| 144 | A | 95.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G140 I141 R142 L146 A147 V148 L169 F170 V188 | G140-A144 WeakPolarHBondContact O-CB 3.07Å; G140-A144 PolarHBondContact O-N 2.99Å; I141-A144 PolarHBondContact O-N 3.48Å; R142-A144 VanDerWaalsContact C-N 3.31Å; R142-A144 PolarHBondContact O-N 3.47Å; A144-L146 PolarHBondContact O-N 3.22Å; A144-A147 PolarHBondContact O-N 3.47Å; A144-V148 VanDerWaalsContact O-CG2 3.31Å; A144-V148 WeakPolarHBondContact O-CG2 3.48Å; A144-V148 PolarHBondContact O-N 2.93Å; A144-L169 HydrophobicContact CB-CB 4.38Å; A144-L169 HydrophobicContact CB-CD2 4.12Å; A144-L169 WeakPolarHBondContact CB-O 3.3Å; A144-F170 HydrophobicContact CB-CE1 4.2Å; A144-V188 HydrophobicContact CB-CG1 4.23Å; A144-V188 HydrophobicContact CB-CG2 3.56Å |
| 145 | G | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I141 R142 L143 V148 Q149 | I141-G145 PolarHBondContact O-N 3.12Å; R142-G145 PolarHBondContact O-N 2.87Å; L143-G145 PolarHBondContact O-N 3.11Å; G145-V148 PolarHBondContact O-N 3.48Å; G145-Q149 PolarHBondContact O-N 3.3Å; G145-Q149 VanDerWaalsContact O-N 3.07Å |
| 146 | L | 96.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 172.5 | -76.4 | 166.2 | 0 | 0 | 0 | 112.6 | R142 L143 A144 Q149 A150 H195 L206 Y207 | R142-L146 WeakPolarHBondContact O-CB 3.41Å; R142-L146 WeakPolarHBondContact O-CG 3.29Å; R142-L146 PolarHBondContact O-N 3.42Å; L143-L146 PolarHBondContact O-N 3.03Å; A144-L146 PolarHBondContact O-N 3.22Å; L146-Q149 PolarHBondContact O-N 3.37Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.9Å; L146-H195 VanDerWaalsContact CD2-CD2 3.44Å; L146-H195 WeakPolarHBondContact CD2-CD2 3.29Å; L146-H195 WeakPolarHBondContact CD2-NE2 3.48Å; L146-H195 WeakPolarHBondContact CG-NE2 3.47Å; L146-L206 HydrophobicContact CD1-CB 4.28Å; L146-L206 HydrophobicContact CD2-CB 3.68Å; L146-L206 HydrophobicContact CD2-CD1 4.24Å; L146-Y207 HydrophobicContact CB-CD2 3.98Å |
| 147 | A | 96 | Very high | 91.8 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y121 L143 A144 A150 D151 Y207 | Y121-A147 HydrophobicContact CE2-CB 4.5Å; Y121-A147 WeakPolarHBondContact OH-CA 3.46Å; Y121-A147 WeakPolarHBondContact OH-CB 3.29Å; Y121-A147 PolarHBondContact OH-O 3.43Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3.28Å; A144-A147 PolarHBondContact O-N 3.47Å; A147-A150 PolarHBondContact O-N 3.48Å; A147-D151 WeakPolarHBondContact O-CB 3.14Å; A147-D151 PolarHBondContact O-N 2.98Å; A147-Y207 HydrophobicContact CB-CD2 4.06Å; A147-Y207 HydrophobicContact CB-CE2 3.78Å |
| 148 | V | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 173.3 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | A144 G145 A150 D151 F152 F163 L164 Y167 L169 V188 H192 | A144-V148 VanDerWaalsContact O-CG2 3.31Å; A144-V148 WeakPolarHBondContact O-CG2 3.48Å; A144-V148 PolarHBondContact O-N 2.93Å; G145-V148 PolarHBondContact O-N 3.48Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 2.94Å; V148-D151 PolarHBondContact O-N 3.04Å; V148-F152 HydrophobicContact CB-CD2 4.41Å; V148-F152 HydrophobicContact CG1-CD2 3.87Å; V148-F152 WeakPolarHBondContact O-CB 3.26Å; V148-F152 PolarHBondContact O-N 3.44Å; V148-F163 HydrophobicContact CG1-CE2 4.1Å; V148-F163 HydrophobicContact CG1-CZ 4.2Å; V148-L164 HydrophobicContact CG1-CD2 3.89Å; V148-L164 HydrophobicContact CG2-CD2 3.75Å; V148-Y167 HydrophobicContact CG2-CD1 4.27Å; V148-Y167 HydrophobicContact CG2-CE1 3.95Å; V148-L169 HydrophobicContact CG2-CD2 3.74Å; V148-V188 HydrophobicContact CG2-CG1 4.25Å; V148-H192 HydrophobicContact CG1-CB 4.46Å; V148-H192 VanDerWaalsContact CG1-CE1 3.42Å; V148-H192 WeakPolarHBondContact CG1-CE1 3.41Å; V148-H192 WeakPolarHBondContact CG1-ND1 3.39Å |
| 149 | Q | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | 174 | -174 | 66.9 | 25.1 | 0 | 0 | 112.4 | G145 L146 G153 D154 H192 H195 R198 A203 | G145-Q149 PolarHBondContact O-N 3.3Å; G145-Q149 VanDerWaalsContact O-N 3.07Å; L146-Q149 PolarHBondContact O-N 3.37Å; Q149-G153 VanDerWaalsContact O-CA 3.23Å; Q149-G153 WeakPolarHBondContact O-CA 3.34Å; Q149-G153 PolarHBondContact O-N 3.41Å; Q149-G153 PolarHBondContact OE1-O 2.91Å; Q149-D154 PolarHBondContact NE2-OD1 3.34Å; Q149-H192 PolarHBondContact OE1-CD2 3.45Å; Q149-H192 PolarHBondContact OE1-NE2 3.44Å; Q149-H195 HydrophobicContact CB-CB 4.18Å; Q149-H195 HydrophobicContact CG-CB 3.95Å; Q149-H195 PolarHBondContact NE2-O 3.27Å; Q149-R198 HydrophobicContact CG-CB 4.49Å; Q149-R198 PolarHBondContact NE2-O 3.46Å; Q149-A203 HydrophobicContact CB-CB 3.97Å; Q149-A203 HydrophobicContact CG-CB 3.83Å |
| 150 | A | 94.7 | Very high | 88.9 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.2 | -49.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y121 L146 A147 V148 A203 E204 | Y121-A150 HydrophobicContact CE1-CB 4.24Å; Y121-A150 HydrophobicContact CE2-CB 4.33Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.9Å; A147-A150 PolarHBondContact O-N 3.48Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 2.94Å; A150-A203 HydrophobicContact CB-CB 4.06Å; A150-E204 HydrophobicContact CB-CG 3.98Å |
| 151 | D | 91.7 | Very high | 88 | Confident | 52 Ų | 52 | 42.7 Ų | 42.7 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.3 | -33.3 | -176.1 | -76.4 | 33.7 | 0 | 0 | 0 | 113.2 | Y121 K125 A147 V148 Y167 | Y121-D151 PolarHBondContact OH-OD1 2.73Å; K125-D151 IonicContact NZ-OD1 3.1Å; K125-D151 PolarHBondContact NZ-OD1 3.1Å; K125-D151 IonicContact NZ-OD2 2.59Å; K125-D151 PolarHBondContact NZ-OD2 2.93Å; A147-D151 WeakPolarHBondContact O-CB 3.14Å; A147-D151 PolarHBondContact O-N 2.98Å; V148-D151 PolarHBondContact O-N 3.04Å; D151-Y167 PolarHBondContact OD2-OH 3.5Å |
| 152 | F | 90.1 | Very high | 87.3 | Confident | 26 Ų | 26 | 46 Ų | 46 | 11% | 0.114 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -118.4 | -11.1 | -169.5 | -61.8 | -78.6 | 0 | 0 | 0 | 114.9 | V148 F158 F163 Y167 P792 | V148-F152 HydrophobicContact CB-CD2 4.41Å; V148-F152 HydrophobicContact CG1-CD2 3.87Å; V148-F152 WeakPolarHBondContact O-CB 3.26Å; V148-F152 PolarHBondContact O-N 3.44Å; F152-F158 HydrophobicContact CB-CE2 3.79Å; F152-F158 HydrophobicContact CB-CZ 3.72Å; F152-F158 HydrophobicContact CD1-CE1 4.33Å; F152-F158 AromaticContact CD1-CZ 3.88Å; F152-F158 HydrophobicContact CD1-CZ 3.88Å; F152-F158 HydrophobicContact CG-CZ 4.17Å; F152-F163 HydrophobicContact CD1-CD2 4.48Å; F152-F163 HydrophobicContact CD1-CE2 4.29Å; F152-F163 AromaticContact CD2-CE2 3.96Å; F152-F163 HydrophobicContact CD2-CE2 3.96Å; F152-F163 HydrophobicContact CE1-CD2 4.26Å; F152-F163 HydrophobicContact CE1-CE2 4.44Å; F152-F163 HydrophobicContact CE2-CD2 4.38Å; F152-F163 HydrophobicContact CE2-CE2 4.11Å; F152-F163 HydrophobicContact CG-CE2 4.04Å; F152-F163 HydrophobicContact CZ-CD2 4.21Å; F152-F163 HydrophobicContact CZ-CE2 4.36Å; F152-Y167 HydrophobicContact CE2-CD1 4.48Å; F152-Y167 AromaticContact CE2-CD2 3.52Å; F152-Y167 HydrophobicContact CE2-CD2 3.52Å; F152-Y167 AromaticContact CE2-CE2 3.56Å; F152-Y167 HydrophobicContact CE2-CE2 3.56Å; F152-Y167 HydrophobicContact CE2-CG 4.01Å; F152-Y167 AromaticContact CZ-CD2 3.6Å; F152-Y167 HydrophobicContact CZ-CD2 3.6Å; F152-Y167 AromaticContact CZ-CE2 3.96Å; F152-Y167 HydrophobicContact CZ-CE2 3.96Å; F152-Y167 HydrophobicContact CZ-CG 4.26Å; F152-P792 HydrophobicContact CE1-CG 3.84Å; F152-P792 HydrophobicContact CZ-CG 4.26Å |
| 153 | G | 88.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | trans | 70.4 | -156.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q149 H192 | Q149-G153 VanDerWaalsContact O-CA 3.23Å; Q149-G153 WeakPolarHBondContact O-CA 3.34Å; Q149-G153 PolarHBondContact O-N 3.41Å; Q149-G153 PolarHBondContact OE1-O 2.91Å; G153-H192 PolarHBondContact O-NE2 2.86Å | ||
| 154 | D | 88.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 20% | 0.198 | 23% | 0.228 | C | C | . | . | trans | -59.1 | 137 | -172.1 | -79.4 | -9.4 | 0 | 0 | 0 | 114.5 | Q149 T156 H157 C196 G197 | Q149-D154 PolarHBondContact NE2-OD1 3.34Å; D154-T156 PolarHBondContact O-N 2.97Å; D154-H157 WeakPolarHBondContact O-CB 3.35Å; D154-H157 PolarHBondContact O-N 3.18Å; D154-H157 PolarHBondContact O-ND1 3.47Å; D154-C196 WeakPolarHBondContact OD1-CA 3.5Å; D154-G197 VanDerWaalsContact CG-N 3.32Å; D154-G197 PolarHBondContact OD1-N 3.21Å; D154-G197 PolarHBondContact OD2-N 3.46Å | ||
| 155 | F | 84.1 | Confident | 85.4 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -48.7 | -33.2 | 173 | 176.3 | -88.3 | 0 | 0 | 0 | 113.8 | H157 F158 Q161 A189 H192 K193 | F155-H157 PolarHBondContact O-N 2.88Å; F155-F158 PolarHBondContact O-N 3.2Å; F155-Q161 HydrophobicContact CE2-CG 3.94Å; F155-Q161 HydrophobicContact CZ-CG 4.26Å; F155-A189 HydrophobicContact CE2-CB 4.31Å; F155-H192 WeakPolarHBondContact CA-CE1 3.4Å; F155-H192 AromaticContact CD2-ND1 3.61Å; F155-H192 PolarHBondContact N-NE2 3.23Å; F155-K193 HydrophobicContact CB-CB 4.49Å; F155-K193 HydrophobicContact CD1-CB 4.24Å; F155-K193 HydrophobicContact CD1-CG 4.22Å; F155-K193 HydrophobicContact CD2-CB 4.13Å; F155-K193 HydrophobicContact CE1-CD 4.35Å; F155-K193 HydrophobicContact CE1-CG 4.47Å; F155-K193 HydrophobicContact CE2-CB 4.47Å; F155-K193 HydrophobicContact CG-CB 4.03Å; F155-K193 HydrophobicContact CG-CG 4.49Å |
| 156 | T | 79.8 | Confident | 84.7 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -68.9 | -12.5 | -179.7 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | D154 F158 | D154-T156 PolarHBondContact O-N 2.97Å; T156-F158 VanDerWaalsContact C-N 3.25Å; T156-F158 PolarHBondContact O-N 3.22Å |
| 157 | H | 79.6 | Confident | 84.2 | Confident | 128 Ų | 128 | 57 Ų | 57 | 59% | 0.593 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -76.1 | -9.3 | 175.9 | -61.2 | 150.5 | 0 | 0 | 0 | 113.9 | D154 F155 | D154-H157 WeakPolarHBondContact O-CB 3.35Å; D154-H157 PolarHBondContact O-N 3.18Å; D154-H157 PolarHBondContact O-ND1 3.47Å; F155-H157 PolarHBondContact O-N 2.88Å |
| 158 | F | 76 | Confident | 83.8 | Confident | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | trans | -116.1 | 128.1 | -174 | -63.1 | -91.3 | 0 | 0 | 0 | 111.3 | F152 F155 T156 S160 F163 | F152-F158 HydrophobicContact CB-CE2 3.79Å; F152-F158 HydrophobicContact CB-CZ 3.72Å; F152-F158 HydrophobicContact CD1-CE1 4.33Å; F152-F158 AromaticContact CD1-CZ 3.88Å; F152-F158 HydrophobicContact CD1-CZ 3.88Å; F152-F158 HydrophobicContact CG-CZ 4.17Å; F155-F158 PolarHBondContact O-N 3.2Å; T156-F158 VanDerWaalsContact C-N 3.25Å; T156-F158 PolarHBondContact O-N 3.22Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.58Å; F158-F163 HydrophobicContact CB-CD1 4.18Å; F158-F163 HydrophobicContact CB-CE1 3.7Å; F158-F163 HydrophobicContact CB-CZ 4.49Å; F158-F163 AromaticContact CD1-CD1 3.77Å; F158-F163 HydrophobicContact CD1-CD1 3.77Å; F158-F163 AromaticContact CD1-CE1 3.75Å; F158-F163 HydrophobicContact CD1-CE1 3.75Å; F158-F163 HydrophobicContact CD1-CG 4.21Å; F158-F163 HydrophobicContact CD1-CZ 4.16Å; F158-F163 HydrophobicContact CD2-CE1 4.17Å; F158-F163 HydrophobicContact CD2-CZ 4.14Å; F158-F163 HydrophobicContact CE1-CD1 4.48Å; F158-F163 HydrophobicContact CE1-CE1 4.47Å; F158-F163 HydrophobicContact CE1-CZ 4.5Å; F158-F163 HydrophobicContact CG-CD1 4.06Å; F158-F163 AromaticContact CG-CE1 3.58Å; F158-F163 HydrophobicContact CG-CE1 3.58Å; F158-F163 AromaticContact CG-CZ 3.98Å; F158-F163 HydrophobicContact CG-CZ 3.98Å | ||
| 159 | P | 64.7 | Low | 83.6 | Confident | 140 Ų | 140 | 58.6 Ų | 58.6 | 91% | 0.909 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -75.3 | -18.6 | -177.2 | 30.9 | -35.9 | 0 | 0 | 0 | 113.4 | ||
| 160 | S | 75.3 | Confident | 83.4 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -148.5 | 166.4 | 172.7 | 73.9 | 0 | 0 | 0 | 0 | 110.7 | F158 D162 F163 | F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.58Å; S160-D162 VanDerWaalsContact C-N 3.32Å; S160-D162 WeakPolarHBondContact CB-OD2 3.46Å; S160-D162 PolarHBondContact OG-OD2 3.31Å; S160-F163 WeakPolarHBondContact O-CD1 3.38Å | ||
| 161 | Q | 74.1 | Confident | 83.3 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -86.3 | 1 | 179.2 | -67.9 | 174 | -4 | 0 | 0 | 113.1 | F155 F163 L164 A189 | F155-Q161 HydrophobicContact CE2-CG 3.94Å; F155-Q161 HydrophobicContact CZ-CG 4.26Å; Q161-F163 PolarHBondContact O-N 3.46Å; Q161-F163 VanDerWaalsContact O-N 3.11Å; Q161-L164 HydrophobicContact CB-CD1 4.25Å; Q161-L164 VanDerWaalsContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CG 3.32Å; Q161-L164 PolarHBondContact O-N 2.86Å; Q161-A189 VanDerWaalsContact CD-CB 3.4Å; Q161-A189 HydrophobicContact CG-CB 4.07Å; Q161-A189 VanDerWaalsContact NE2-CB 3.34Å |
| 162 | D | 80.1 | Confident | 83 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -60.4 | -28.6 | -170.1 | -63.4 | -68.8 | 0 | 0 | 0 | 113.6 | S160 L164 R165 | S160-D162 VanDerWaalsContact C-N 3.32Å; S160-D162 WeakPolarHBondContact CB-OD2 3.46Å; S160-D162 PolarHBondContact OG-OD2 3.31Å; D162-L164 PolarHBondContact O-N 2.78Å; D162-L164 VanDerWaalsContact O-N 3.15Å; D162-R165 WeakPolarHBondContact O-CB 3.41Å; D162-R165 PolarHBondContact O-N 2.85Å; D162-R165 IonicContact OD1-NH1 2.68Å; D162-R165 PolarHBondContact OD1-NH1 2.84Å |
| 163 | F | 82.1 | Confident | 82.7 | Confident | 41 Ų | 41 | 62.8 Ų | 62.8 | 18% | 0.18 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.9 | 175.8 | 76.9 | -84.7 | 0 | 0 | 0 | 113.4 | V148 F152 F158 S160 Q161 R165 E166 Y167 | V148-F163 HydrophobicContact CG1-CE2 4.1Å; V148-F163 HydrophobicContact CG1-CZ 4.2Å; F152-F163 HydrophobicContact CD1-CD2 4.48Å; F152-F163 HydrophobicContact CD1-CE2 4.29Å; F152-F163 AromaticContact CD2-CE2 3.96Å; F152-F163 HydrophobicContact CD2-CE2 3.96Å; F152-F163 HydrophobicContact CE1-CD2 4.26Å; F152-F163 HydrophobicContact CE1-CE2 4.44Å; F152-F163 HydrophobicContact CE2-CD2 4.38Å; F152-F163 HydrophobicContact CE2-CE2 4.11Å; F152-F163 HydrophobicContact CG-CE2 4.04Å; F152-F163 HydrophobicContact CZ-CD2 4.21Å; F152-F163 HydrophobicContact CZ-CE2 4.36Å; F158-F163 HydrophobicContact CB-CD1 4.18Å; F158-F163 HydrophobicContact CB-CE1 3.7Å; F158-F163 HydrophobicContact CB-CZ 4.49Å; F158-F163 AromaticContact CD1-CD1 3.77Å; F158-F163 HydrophobicContact CD1-CD1 3.77Å; F158-F163 AromaticContact CD1-CE1 3.75Å; F158-F163 HydrophobicContact CD1-CE1 3.75Å; F158-F163 HydrophobicContact CD1-CG 4.21Å; F158-F163 HydrophobicContact CD1-CZ 4.16Å; F158-F163 HydrophobicContact CD2-CE1 4.17Å; F158-F163 HydrophobicContact CD2-CZ 4.14Å; F158-F163 HydrophobicContact CE1-CD1 4.48Å; F158-F163 HydrophobicContact CE1-CE1 4.47Å; F158-F163 HydrophobicContact CE1-CZ 4.5Å; F158-F163 HydrophobicContact CG-CD1 4.06Å; F158-F163 AromaticContact CG-CE1 3.58Å; F158-F163 HydrophobicContact CG-CE1 3.58Å; F158-F163 AromaticContact CG-CZ 3.98Å; F158-F163 HydrophobicContact CG-CZ 3.98Å; S160-F163 WeakPolarHBondContact O-CD1 3.38Å; Q161-F163 PolarHBondContact O-N 3.46Å; Q161-F163 VanDerWaalsContact O-N 3.11Å; F163-R165 PolarHBondContact O-N 3.16Å; F163-E166 PolarHBondContact O-N 3.08Å; F163-Y167 PolarHBondContact O-N 3.03Å |
| 164 | L | 86 | Confident | 82.5 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -67.7 | -23.3 | 176 | -62.5 | 178.5 | 0 | 0 | 0 | 112.7 | V148 Q161 D162 E166 Y167 L169 T185 A189 | V148-L164 HydrophobicContact CG1-CD2 3.89Å; V148-L164 HydrophobicContact CG2-CD2 3.75Å; Q161-L164 HydrophobicContact CB-CD1 4.25Å; Q161-L164 VanDerWaalsContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CB 3.29Å; Q161-L164 WeakPolarHBondContact O-CG 3.32Å; Q161-L164 PolarHBondContact O-N 2.86Å; D162-L164 PolarHBondContact O-N 2.78Å; D162-L164 VanDerWaalsContact O-N 3.15Å; L164-E166 VanDerWaalsContact C-N 3.3Å; L164-Y167 PolarHBondContact O-N 3.31Å; L164-L169 HydrophobicContact CB-CD1 4.36Å; L164-L169 HydrophobicContact CD2-CD2 4.47Å; L164-T185 HydrophobicContact CB-CG2 3.78Å; L164-T185 HydrophobicContact CD1-CG2 4.39Å; L164-A189 HydrophobicContact CD1-CB 3.71Å |
| 165 | R | 80.4 | Confident | 81.5 | Confident | 162 Ų | 162 | 67.1 Ų | 67.1 | 61% | 0.611 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -74.3 | -19.6 | 176 | -65.8 | 173.3 | 165.5 | 158 | -15 | 113 | D162 F163 E182 | D162-R165 WeakPolarHBondContact O-CB 3.41Å; D162-R165 PolarHBondContact O-N 2.85Å; D162-R165 IonicContact OD1-NH1 2.68Å; D162-R165 PolarHBondContact OD1-NH1 2.84Å; F163-R165 PolarHBondContact O-N 3.16Å; R165-E182 IonicContact CZ-OE1 2.62Å; R165-E182 IonicContact NE-OE1 3.99Å; R165-E182 IonicContact NH2-OE1 2.76Å; R165-E182 PolarHBondContact NH2-OE1 3.18Å |
| 166 | E | 80.3 | Confident | 80.4 | Confident | 157 Ų | 157 | 72 Ų | 72 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -98 | -6.6 | 177.3 | -59.8 | -168.6 | 150.7 | 0 | 0 | 112.9 | F163 L164 | F163-E166 PolarHBondContact O-N 3.08Å; L164-E166 VanDerWaalsContact C-N 3.3Å |
| 167 | Y | 85.8 | Confident | 80 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -105.2 | 141.1 | -174.5 | 178.7 | -94.6 | 0 | 0 | 0 | 111.9 | K125 V148 D151 F152 F163 L164 L169 L791 | K125-Y167 VanDerWaalsContact CE-OH 3.24Å; K125-Y167 WeakPolarHBondContact CE-OH 3.47Å; K125-Y167 PolarHBondContact NZ-OH 3.37Å; V148-Y167 HydrophobicContact CG2-CD1 4.27Å; V148-Y167 HydrophobicContact CG2-CE1 3.95Å; D151-Y167 PolarHBondContact OD2-OH 3.5Å; F152-Y167 HydrophobicContact CE2-CD1 4.48Å; F152-Y167 AromaticContact CE2-CD2 3.52Å; F152-Y167 HydrophobicContact CE2-CD2 3.52Å; F152-Y167 AromaticContact CE2-CE2 3.56Å; F152-Y167 HydrophobicContact CE2-CE2 3.56Å; F152-Y167 HydrophobicContact CE2-CG 4.01Å; F152-Y167 AromaticContact CZ-CD2 3.6Å; F152-Y167 HydrophobicContact CZ-CD2 3.6Å; F152-Y167 AromaticContact CZ-CE2 3.96Å; F152-Y167 HydrophobicContact CZ-CE2 3.96Å; F152-Y167 HydrophobicContact CZ-CG 4.26Å; F163-Y167 PolarHBondContact O-N 3.03Å; L164-Y167 PolarHBondContact O-N 3.31Å; Y167-L169 HydrophobicContact CD1-CD2 3.49Å; Y167-L169 VanDerWaalsContact CD1-CD2 3.49Å; Y167-L169 HydrophobicContact CD1-CG 3.98Å; Y167-L169 HydrophobicContact CE1-CD2 3.77Å; Y167-L169 PolarHBondContact O-N 2.94Å; Y167-L791 HydrophobicContact CD2-CD2 3.29Å; Y167-L791 HydrophobicContact CE2-CD2 3.53Å; Y167-L791 HydrophobicContact CG-CD2 4.36Å |
| 168 | V | 88.9 | Confident | 79.8 | Confident | 25 Ų | 25 | 69 Ų | 69 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | trans | -80.7 | 92.7 | -175.8 | -172 | 0 | 0 | 0 | 0 | 110.5 | L129 L784 A787 L788 | L129-V168 HydrophobicContact CD1-CG1 4.22Å; L129-V168 HydrophobicContact CD2-CG1 4.27Å; V168-L784 HydrophobicContact CG1-CD1 3.84Å; V168-A787 HydrophobicContact CG2-CB 3.78Å; V168-L788 HydrophobicContact CB-CD2 4.15Å; V168-L788 HydrophobicContact CG2-CD2 4.01Å; V168-L788 HydrophobicContact CG2-CG 4.49Å | ||
| 169 | L | 89.4 | Confident | 80 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | trans | -81.7 | -36.1 | -176.1 | -70.3 | 176.3 | 0 | 0 | 0 | 115.1 | A144 V148 L164 Y167 T185 V188 | A144-L169 HydrophobicContact CB-CB 4.38Å; A144-L169 HydrophobicContact CB-CD2 4.12Å; A144-L169 WeakPolarHBondContact CB-O 3.3Å; V148-L169 HydrophobicContact CG2-CD2 3.74Å; L164-L169 HydrophobicContact CB-CD1 4.36Å; L164-L169 HydrophobicContact CD2-CD2 4.47Å; Y167-L169 HydrophobicContact CD1-CD2 3.49Å; Y167-L169 VanDerWaalsContact CD1-CD2 3.49Å; Y167-L169 HydrophobicContact CD1-CG 3.98Å; Y167-L169 HydrophobicContact CE1-CD2 3.77Å; Y167-L169 PolarHBondContact O-N 2.94Å; L169-T185 HydrophobicContact CD1-CG2 3.88Å; L169-V188 HydrophobicContact CD1-CB 4.46Å; L169-V188 HydrophobicContact CD1-CG1 4.24Å; L169-V188 HydrophobicContact CD1-CG2 4.46Å; L169-V188 HydrophobicContact CD2-CG1 3.78Å | ||
| 170 | F | 91.8 | Very high | 80.9 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -127.3 | 158.4 | -163 | -56.2 | -63.7 | 0 | 0 | 0 | 113.2 | I141 A144 W174 L181 W184 V188 | I141-F170 HydrophobicContact CG1-CE1 3.89Å; I141-F170 HydrophobicContact CG1-CZ 4.41Å; A144-F170 HydrophobicContact CB-CE1 4.2Å; F170-W174 HydrophobicContact CB-CE3 3.95Å; F170-W174 HydrophobicContact CB-CZ3 4.33Å; F170-W174 HydrophobicContact CD1-CE3 4.11Å; F170-W174 AromaticContact CD1-CZ3 3.69Å; F170-W174 HydrophobicContact CD1-CZ3 3.69Å; F170-W174 HydrophobicContact CE1-CZ3 4.4Å; F170-W174 HydrophobicContact CG-CE3 4.2Å; F170-W174 HydrophobicContact CG-CZ3 4.25Å; F170-L181 HydrophobicContact CD2-CD1 3.55Å; F170-L181 HydrophobicContact CE2-CD1 3.76Å; F170-W184 HydrophobicContact CE1-CB 4.26Å; F170-W184 HydrophobicContact CE2-CB 3.88Å; F170-W184 HydrophobicContact CZ-CB 3.56Å; F170-V188 HydrophobicContact CE1-CG2 3.76Å; F170-V188 HydrophobicContact CZ-CG2 3.53Å |
| 171 | P | 91.4 | Very high | 81.3 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | trans | -57.5 | 137.9 | 175.7 | -25.2 | 35.2 | 0 | 0 | 0 | 113.6 | V128 L129 N173 W174 | V128-P171 HydrophobicContact CG1-CG 4.2Å; V128-P171 WeakPolarHBondContact O-CB 3.12Å; V128-P171 WeakPolarHBondContact O-CG 3.44Å; L129-P171 WeakPolarHBondContact O-CA 3.49Å; P171-N173 WeakPolarHBondContact CB-OD1 3.47Å; P171-N173 PolarHBondContact O-N 3.14Å; P171-W174 HydrophobicContact CB-CD2 4.49Å; P171-W174 HydrophobicContact CB-CG 4.29Å; P171-W174 HydrophobicContact CG-CD2 4.2Å; P171-W174 HydrophobicContact CG-CZ2 4.02Å; P171-W174 PolarHBondContact O-N 3.02Å; P171-W174 VanDerWaalsContact O-N 3.12Å | ||
| 172 | V | 86.2 | Confident | 81.9 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -8.1 | -178.7 | -66 | 0 | 0 | 0 | 0 | 115.6 | L129 I780 L784 | L129-V172 WeakPolarHBondContact O-CG2 3.49Å; L129-V172 PolarHBondContact O-N 3.17Å; V172-I780 HydrophobicContact CB-CG2 3.86Å; V172-I780 HydrophobicContact CG1-CG2 4.39Å; V172-I780 HydrophobicContact CG2-CG2 3.48Å; V172-I780 VanDerWaalsContact CG2-CG2 3.48Å; V172-L784 HydrophobicContact CG1-CB 4.15Å; V172-L784 HydrophobicContact CG1-CD1 3.82Å; V172-L784 HydrophobicContact CG1-CD2 3.81Å; V172-L784 HydrophobicContact CG1-CG 4.13Å |
| 173 | N | 82.9 | Confident | 82.3 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 8.2 | 179.1 | 62.8 | 5.4 | 0 | 0 | 0 | 113.6 | P171 | P171-N173 WeakPolarHBondContact CB-OD1 3.47Å; P171-N173 PolarHBondContact O-N 3.14Å |
| 174 | W | 84.4 | Confident | 82.8 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -86.2 | 154.4 | 174.6 | -74 | 15.1 | 0 | 0 | 0 | 111.7 | V137 F170 P171 N176 W184 | V137-W174 VanDerWaalsContact CA-CH2 3.46Å; V137-W174 HydrophobicContact CB-CH2 4.41Å; V137-W174 HydrophobicContact CG1-CZ3 4.4Å; F170-W174 HydrophobicContact CB-CE3 3.95Å; F170-W174 HydrophobicContact CB-CZ3 4.33Å; F170-W174 HydrophobicContact CD1-CE3 4.11Å; F170-W174 AromaticContact CD1-CZ3 3.69Å; F170-W174 HydrophobicContact CD1-CZ3 3.69Å; F170-W174 HydrophobicContact CE1-CZ3 4.4Å; F170-W174 HydrophobicContact CG-CE3 4.2Å; F170-W174 HydrophobicContact CG-CZ3 4.25Å; P171-W174 HydrophobicContact CB-CD2 4.49Å; P171-W174 HydrophobicContact CB-CG 4.29Å; P171-W174 HydrophobicContact CG-CD2 4.2Å; P171-W174 HydrophobicContact CG-CZ2 4.02Å; P171-W174 PolarHBondContact O-N 3.02Å; P171-W174 VanDerWaalsContact O-N 3.12Å; W174-N176 PolarHBondContact O-N 3.25Å; W174-W184 HydrophobicContact CB-CZ3 4.33Å; W174-W184 HydrophobicContact CD2-CZ3 4.41Å; W174-W184 AromaticContact CE3-CE3 3.98Å; W174-W184 HydrophobicContact CE3-CE3 3.98Å; W174-W184 HydrophobicContact CE3-CH2 4.19Å; W174-W184 AromaticContact CE3-CZ3 3.6Å; W174-W184 HydrophobicContact CE3-CZ3 3.6Å; W174-W184 HydrophobicContact CZ3-CE3 4.36Å; W174-W184 HydrophobicContact CZ3-CZ3 4.34Å |
| 175 | P | 67.8 | Low | 83 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | trans | -72.5 | 125.6 | -173.1 | 27.5 | -34.8 | 0 | 0 | 0 | 113 | G177 W184 | P175-G177 VanDerWaalsContact C-N 3.35Å; P175-G177 PolarHBondContact O-N 3.39Å; P175-W184 HydrophobicContact CG-CH2 4.21Å | ||
| 176 | N | 62.3 | Low | 83.4 | Confident | 149 Ų | 149 | 71.8 Ų | 71.8 | 80% | 0.797 | 37% | 0.372 | S | S | * | . | trans | -81.7 | 71.6 | -179.2 | -61.7 | -31.9 | 0 | 0 | 0 | 112.1 | W174 | W174-N176 PolarHBondContact O-N 3.25Š| ||
| 177 | G | 70.9 | Confident | 84.1 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | trans | -103 | 114.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | P175 E179 V180 L181 | P175-G177 VanDerWaalsContact C-N 3.35Å; P175-G177 PolarHBondContact O-N 3.39Å; G177-E179 VanDerWaalsContact C-N 3.32Å; G177-E179 PolarHBondContact O-N 3.49Å; G177-V180 PolarHBondContact O-N 3.24Å; G177-L181 PolarHBondContact O-N 3.35Å | ||
| 178 | D | 74.2 | Confident | 84.5 | Confident | 135 Ų | 135 | 67.6 Ų | 67.6 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.4 | -42.3 | -170.3 | -65.1 | -23.5 | 0 | 0 | 0 | 113.4 | V180 L181 E182 | D178-V180 PolarHBondContact O-N 3.22Å; D178-L181 PolarHBondContact O-N 2.82Å; D178-E182 WeakPolarHBondContact O-CB 3.34Å; D178-E182 PolarHBondContact O-N 2.81Å |
| 179 | E | 80.3 | Confident | 84.6 | Confident | 175 Ų | 175 | 66.4 Ų | 66.4 | 82% | 0.818 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 176.8 | -60.4 | -177.5 | 159.4 | 0 | 0 | 112.5 | G177 E182 E183 | G177-E179 VanDerWaalsContact C-N 3.32Å; G177-E179 PolarHBondContact O-N 3.49Å; E179-E182 PolarHBondContact O-N 3.04Å; E179-E183 PolarHBondContact O-N 2.93Å |
| 180 | V | 84 | Confident | 84.8 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73.3 | -38.4 | -179.5 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | G177 D178 E183 W184 | G177-V180 PolarHBondContact O-N 3.24Å; D178-V180 PolarHBondContact O-N 3.22Å; V180-E183 PolarHBondContact O-N 3.48Å; V180-W184 HydrophobicContact CG1-CD2 3.99Å; V180-W184 HydrophobicContact CG1-CE3 4.45Å; V180-W184 HydrophobicContact CG1-CH2 3.9Å; V180-W184 HydrophobicContact CG1-CZ2 3.35Å; V180-W184 HydrophobicContact CG1-CZ3 4.4Å; V180-W184 VanDerWaalsContact O-CG 3.23Å; V180-W184 PolarHBondContact O-N 3.11Å |
| 181 | L | 84.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.4 | -179.9 | 61 | 0 | 0 | 0 | 111.5 | F170 G177 D178 W184 T185 | F170-L181 HydrophobicContact CD2-CD1 3.55Å; F170-L181 HydrophobicContact CE2-CD1 3.76Å; G177-L181 PolarHBondContact O-N 3.35Å; D178-L181 PolarHBondContact O-N 2.82Å; L181-W184 PolarHBondContact O-N 2.75Å; L181-T185 VanDerWaalsContact O-CB 3.28Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 3.01Å; L181-T185 PolarHBondContact O-OG1 2.85Å |
| 182 | E | 85.5 | Confident | 85 | Confident | 106 Ų | 106 | 71.7 Ų | 71.7 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 173.8 | -177 | 153.6 | -106.3 | 0 | 0 | 111.8 | R165 D178 E179 W184 T185 K186 | R165-E182 IonicContact CZ-OE1 2.62Å; R165-E182 IonicContact NE-OE1 3.99Å; R165-E182 IonicContact NH2-OE1 2.76Å; R165-E182 PolarHBondContact NH2-OE1 3.18Å; D178-E182 WeakPolarHBondContact O-CB 3.34Å; D178-E182 PolarHBondContact O-N 2.81Å; E179-E182 PolarHBondContact O-N 3.04Å; E182-W184 PolarHBondContact O-N 3.35Å; E182-T185 PolarHBondContact O-N 2.97Å; E182-K186 WeakPolarHBondContact O-CB 3.34Å; E182-K186 PolarHBondContact O-N 3.03Å |
| 183 | E | 89.5 | Confident | 85.3 | Confident | 94 Ų | 94 | 75.5 Ų | 75.5 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 173.8 | -159.3 | -149.3 | 144.3 | 0 | 0 | 112 | E179 V180 K186 K187 | E179-E183 PolarHBondContact O-N 2.93Å; V180-E183 PolarHBondContact O-N 3.48Å; E183-K186 PolarHBondContact O-N 2.9Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.25Å; E183-K187 VanDerWaalsContact O-N 3.1Å; E183-K187 WeakPolarHBondContact OE1-CE 3.36Å; E183-K187 IonicContact OE1-NZ 2.7Å; E183-K187 PolarHBondContact OE1-NZ 3.3Å |
| 184 | W | 91.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 74.4 Ų | 74.4 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 176.6 | -63 | -9.2 | 0 | 0 | 0 | 112.2 | V137 I141 F170 W174 P175 V180 L181 E182 K186 K187 V188 | V137-W184 HydrophobicContact CG1-CD2 4.17Å; V137-W184 HydrophobicContact CG1-CZ2 3.87Å; V137-W184 HydrophobicContact CG2-CZ2 4.16Å; I141-W184 HydrophobicContact CD1-CB 4.17Å; I141-W184 HydrophobicContact CD1-CG 4.09Å; I141-W184 HydrophobicContact CG1-CB 4.36Å; F170-W184 HydrophobicContact CE1-CB 4.26Å; F170-W184 HydrophobicContact CE2-CB 3.88Å; F170-W184 HydrophobicContact CZ-CB 3.56Å; W174-W184 HydrophobicContact CB-CZ3 4.33Å; W174-W184 HydrophobicContact CD2-CZ3 4.41Å; W174-W184 AromaticContact CE3-CE3 3.98Å; W174-W184 HydrophobicContact CE3-CE3 3.98Å; W174-W184 HydrophobicContact CE3-CH2 4.19Å; W174-W184 AromaticContact CE3-CZ3 3.6Å; W174-W184 HydrophobicContact CE3-CZ3 3.6Å; W174-W184 HydrophobicContact CZ3-CE3 4.36Å; W174-W184 HydrophobicContact CZ3-CZ3 4.34Å; P175-W184 HydrophobicContact CG-CH2 4.21Å; V180-W184 HydrophobicContact CG1-CD2 3.99Å; V180-W184 HydrophobicContact CG1-CE3 4.45Å; V180-W184 HydrophobicContact CG1-CH2 3.9Å; V180-W184 HydrophobicContact CG1-CZ2 3.35Å; V180-W184 HydrophobicContact CG1-CZ3 4.4Å; V180-W184 VanDerWaalsContact O-CG 3.23Å; V180-W184 PolarHBondContact O-N 3.11Å; L181-W184 PolarHBondContact O-N 2.75Å; E182-W184 PolarHBondContact O-N 3.35Å; W184-K186 VanDerWaalsContact C-N 3.32Å; W184-K186 PolarHBondContact O-N 3.29Å; W184-K187 PolarHBondContact O-N 3.09Å; W184-V188 WeakPolarHBondContact O-CG2 2.94Å; W184-V188 PolarHBondContact O-N 2.66Å |
| 185 | T | 90.8 | Very high | 86.2 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 14% | 0.135 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | L164 L169 L181 E182 V188 A189 | L164-T185 HydrophobicContact CB-CG2 3.78Å; L164-T185 HydrophobicContact CD1-CG2 4.39Å; L169-T185 HydrophobicContact CD1-CG2 3.88Å; L181-T185 VanDerWaalsContact O-CB 3.28Å; L181-T185 WeakPolarHBondContact O-CB 3.4Å; L181-T185 PolarHBondContact O-N 3.01Å; L181-T185 PolarHBondContact O-OG1 2.85Å; E182-T185 PolarHBondContact O-N 2.97Å; T185-V188 WeakPolarHBondContact O-CB 3.46Å; T185-V188 PolarHBondContact O-N 3.32Å; T185-A189 PolarHBondContact O-N 3.49Å; T185-A189 VanDerWaalsContact O-N 3.07Å |
| 186 | K | 90.1 | Very high | 87.4 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 171.8 | -176.9 | -174.2 | 171.7 | -167.9 | 0 | 111.9 | E182 E183 W184 V188 A189 E190 | E182-K186 WeakPolarHBondContact O-CB 3.34Å; E182-K186 PolarHBondContact O-N 3.03Å; E183-K186 PolarHBondContact O-N 2.9Å; W184-K186 VanDerWaalsContact C-N 3.32Å; W184-K186 PolarHBondContact O-N 3.29Å; K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.37Å; K186-A189 WeakPolarHBondContact O-CB 3.47Å; K186-A189 PolarHBondContact O-N 2.89Å; K186-A189 VanDerWaalsContact O-N 3.1Å; K186-E190 VanDerWaalsContact CE-OE1 3.27Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 PolarHBondContact O-N 2.97Å |
| 187 | K | 93.9 | Very high | 88.6 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -35.6 | 176.5 | -74.4 | 169.9 | 166.4 | 171.9 | 0 | 112.7 | I141 E183 W184 A189 E190 E191 | I141-K187 HydrophobicContact CD1-CB 4.21Å; I141-K187 HydrophobicContact CD1-CD 4.15Å; I141-K187 HydrophobicContact CG2-CB 3.86Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.25Å; E183-K187 VanDerWaalsContact O-N 3.1Å; E183-K187 WeakPolarHBondContact OE1-CE 3.36Å; E183-K187 IonicContact OE1-NZ 2.7Å; E183-K187 PolarHBondContact OE1-NZ 3.3Å; W184-K187 PolarHBondContact O-N 3.09Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-E190 PolarHBondContact O-N 2.91Å; K187-E191 PolarHBondContact O-N 2.92Å |
| 188 | V | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 170.2 | 162.8 | 0 | 0 | 0 | 0 | 111.2 | I141 A144 V148 L169 F170 W184 T185 K186 E190 E191 H192 | I141-V188 HydrophobicContact CB-CG2 4.41Å; I141-V188 HydrophobicContact CG1-CG2 4.49Å; I141-V188 HydrophobicContact CG2-CG2 4.06Å; A144-V188 HydrophobicContact CB-CG1 4.23Å; A144-V188 HydrophobicContact CB-CG2 3.56Å; V148-V188 HydrophobicContact CG2-CG1 4.25Å; L169-V188 HydrophobicContact CD1-CB 4.46Å; L169-V188 HydrophobicContact CD1-CG1 4.24Å; L169-V188 HydrophobicContact CD1-CG2 4.46Å; L169-V188 HydrophobicContact CD2-CG1 3.78Å; F170-V188 HydrophobicContact CE1-CG2 3.76Å; F170-V188 HydrophobicContact CZ-CG2 3.53Å; W184-V188 WeakPolarHBondContact O-CG2 2.94Å; W184-V188 PolarHBondContact O-N 2.66Å; T185-V188 WeakPolarHBondContact O-CB 3.46Å; T185-V188 PolarHBondContact O-N 3.32Å; K186-V188 VanDerWaalsContact C-N 3.32Å; K186-V188 PolarHBondContact O-N 3.37Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 2.82Å; V188-E191 PolarHBondContact O-N 3.29Å; V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.08Å |
| 189 | A | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.2 | -28.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F155 Q161 L164 T185 K186 K187 K193 | F155-A189 HydrophobicContact CE2-CB 4.31Å; Q161-A189 VanDerWaalsContact CD-CB 3.4Å; Q161-A189 HydrophobicContact CG-CB 4.07Å; Q161-A189 VanDerWaalsContact NE2-CB 3.34Å; L164-A189 HydrophobicContact CD1-CB 3.71Å; T185-A189 PolarHBondContact O-N 3.49Å; T185-A189 VanDerWaalsContact O-N 3.07Å; K186-A189 WeakPolarHBondContact O-CB 3.47Å; K186-A189 PolarHBondContact O-N 2.89Å; K186-A189 VanDerWaalsContact O-N 3.1Å; K187-A189 VanDerWaalsContact C-N 3.34Å; A189-K193 VanDerWaalsContact O-CB 3.24Å; A189-K193 WeakPolarHBondContact O-CB 3.41Å; A189-K193 PolarHBondContact O-N 2.76Å |
| 190 | E | 92.9 | Very high | 91.3 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.3 | -43.1 | 171.3 | -69.7 | 171.8 | -173.2 | 0 | 0 | 112.1 | K186 K187 V188 K193 S194 | K186-E190 VanDerWaalsContact CE-OE1 3.27Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 PolarHBondContact O-N 2.97Å; K187-E190 PolarHBondContact O-N 2.91Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 2.82Å; E190-K193 PolarHBondContact O-N 2.77Å; E190-S194 PolarHBondContact O-N 3.26Å |
| 191 | E | 94.3 | Very high | 91.7 | Very high | 44 Ų | 44 | 56 Ų | 56 | 21% | 0.206 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.4 | -74.2 | -77.5 | -168.5 | 0 | 0 | 111.6 | I141 R142 K187 V188 K193 S194 H195 | I141-E191 HydrophobicContact CG2-CG 4.19Å; R142-E191 HydrophobicContact CG-CG 4.18Å; R142-E191 WeakPolarHBondContact CG-OE1 3.48Å; R142-E191 IonicContact CZ-OE1 2.7Å; R142-E191 IonicContact NE-OE1 3.59Å; R142-E191 PolarHBondContact NE-OE1 3.22Å; R142-E191 IonicContact NH2-OE1 3.69Å; K187-E191 PolarHBondContact O-N 2.92Å; V188-E191 PolarHBondContact O-N 3.29Å; E191-K193 PolarHBondContact O-N 3.26Å; E191-S194 WeakPolarHBondContact O-CA 3.24Å; E191-S194 VanDerWaalsContact O-CB 3.3Å; E191-S194 WeakPolarHBondContact O-CB 3.43Å; E191-S194 PolarHBondContact O-N 3.46Å; E191-S194 PolarHBondContact O-OG 3.17Å; E191-H195 PolarHBondContact O-N 3.3Å; E191-H195 PolarHBondContact O-ND1 3.39Å; E191-H195 IonicContact OE2-CE1 2.7Å |
| 192 | H | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | 173.9 | 178.5 | -151 | 0 | 0 | 0 | 111.6 | V148 Q149 G153 F155 V188 S194 H195 C196 | V148-H192 HydrophobicContact CG1-CB 4.46Å; V148-H192 VanDerWaalsContact CG1-CE1 3.42Å; V148-H192 WeakPolarHBondContact CG1-CE1 3.41Å; V148-H192 WeakPolarHBondContact CG1-ND1 3.39Å; Q149-H192 PolarHBondContact OE1-CD2 3.45Å; Q149-H192 PolarHBondContact OE1-NE2 3.44Å; G153-H192 PolarHBondContact O-NE2 2.86Å; F155-H192 WeakPolarHBondContact CA-CE1 3.4Å; F155-H192 AromaticContact CD2-ND1 3.61Å; F155-H192 PolarHBondContact N-NE2 3.23Å; V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.08Å; H192-S194 PolarHBondContact O-N 2.74Å; H192-H195 WeakPolarHBondContact O-CA 3.38Å; H192-H195 PolarHBondContact O-N 2.7Å; H192-C196 PolarHBondContact O-N 3.23Å |
| 193 | K | 92 | Very high | 92.7 | Very high | 132 Ų | 132 | 51 Ų | 51 | 57% | 0.574 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.9 | -29.4 | 173.6 | -178.8 | -178.9 | 174.4 | -173.4 | 0 | 113 | F155 A189 E190 E191 H195 C196 | F155-K193 HydrophobicContact CB-CB 4.49Å; F155-K193 HydrophobicContact CD1-CB 4.24Å; F155-K193 HydrophobicContact CD1-CG 4.22Å; F155-K193 HydrophobicContact CD2-CB 4.13Å; F155-K193 HydrophobicContact CE1-CD 4.35Å; F155-K193 HydrophobicContact CE1-CG 4.47Å; F155-K193 HydrophobicContact CE2-CB 4.47Å; F155-K193 HydrophobicContact CG-CB 4.03Å; F155-K193 HydrophobicContact CG-CG 4.49Å; A189-K193 VanDerWaalsContact O-CB 3.24Å; A189-K193 WeakPolarHBondContact O-CB 3.41Å; A189-K193 PolarHBondContact O-N 2.76Å; E190-K193 PolarHBondContact O-N 2.77Å; E191-K193 PolarHBondContact O-N 3.26Å; K193-H195 PolarHBondContact O-N 3.08Å; K193-C196 PolarHBondContact O-SG 3.18Å |
| 194 | S | 94.4 | Very high | 93 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 49% | 0.49 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.1 | -13.3 | 173.7 | 91.1 | 0 | 0 | 0 | 0 | 113.5 | E190 E191 H192 | E190-S194 PolarHBondContact O-N 3.26Å; E191-S194 WeakPolarHBondContact O-CA 3.24Å; E191-S194 VanDerWaalsContact O-CB 3.3Å; E191-S194 WeakPolarHBondContact O-CB 3.43Å; E191-S194 PolarHBondContact O-N 3.46Å; E191-S194 PolarHBondContact O-OG 3.17Å; H192-S194 PolarHBondContact O-N 2.74Å |
| 195 | H | 92.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 2.4 | -178.5 | -60.1 | -2.6 | 0 | 0 | 0 | 113.6 | L146 Q149 E191 H192 K193 G197 R198 | L146-H195 VanDerWaalsContact CD2-CD2 3.44Å; L146-H195 WeakPolarHBondContact CD2-CD2 3.29Å; L146-H195 WeakPolarHBondContact CD2-NE2 3.48Å; L146-H195 WeakPolarHBondContact CG-NE2 3.47Å; Q149-H195 HydrophobicContact CB-CB 4.18Å; Q149-H195 HydrophobicContact CG-CB 3.95Å; Q149-H195 PolarHBondContact NE2-O 3.27Å; E191-H195 PolarHBondContact O-N 3.3Å; E191-H195 PolarHBondContact O-ND1 3.39Å; E191-H195 IonicContact OE2-CE1 2.7Å; H192-H195 WeakPolarHBondContact O-CA 3.38Å; H192-H195 PolarHBondContact O-N 2.7Å; K193-H195 PolarHBondContact O-N 3.08Å; H195-G197 PolarHBondContact O-N 3.07Å; H195-R198 VanDerWaalsContact O-CB 3.3Å; H195-R198 WeakPolarHBondContact O-CB 3.31Å; H195-R198 WeakPolarHBondContact O-CG 3.12Å; H195-R198 PolarHBondContact O-N 2.75Å; H195-R198 VanDerWaalsContact O-N 3.08Å |
| 196 | C | 91.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 135.7 | 171.2 | -71 | 0 | 0 | 0 | 0 | 112.6 | D154 H192 K193 R198 | D154-C196 WeakPolarHBondContact OD1-CA 3.5Å; H192-C196 PolarHBondContact O-N 3.23Å; K193-C196 PolarHBondContact O-SG 3.18Å; C196-R198 VanDerWaalsContact C-N 3.31Å |
| 197 | G | 89.1 | Confident | 93.7 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D154 H195 | D154-G197 VanDerWaalsContact CG-N 3.32Å; D154-G197 PolarHBondContact OD1-N 3.21Å; D154-G197 PolarHBondContact OD2-N 3.46Å; H195-G197 PolarHBondContact O-N 3.07Å |
| 198 | R | 93.3 | Very high | 93.8 | Very high | 96 Ų | 96 | 39.6 Ų | 39.6 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | trans | -87.6 | 127.7 | 170.4 | -64.1 | -172.7 | -169.1 | -76.2 | -7.7 | 110.5 | Q149 H195 C196 E202 | Q149-R198 HydrophobicContact CG-CB 4.49Å; Q149-R198 PolarHBondContact NE2-O 3.46Å; H195-R198 VanDerWaalsContact O-CB 3.3Å; H195-R198 WeakPolarHBondContact O-CB 3.31Å; H195-R198 WeakPolarHBondContact O-CG 3.12Å; H195-R198 PolarHBondContact O-N 2.75Å; H195-R198 VanDerWaalsContact O-N 3.08Å; C196-R198 VanDerWaalsContact C-N 3.31Å; R198-E202 IonicContact CZ-OE1 3.82Å; R198-E202 IonicContact NH1-OE1 3.59Å; R198-E202 PolarHBondContact NH1-OE1 2.58Å | ||
| 199 | P | 93.9 | Very high | 93.8 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | trans | -70.2 | 154.1 | 176.3 | 30.9 | -35.3 | 0 | 0 | 0 | 111.4 | A201 E202 A203 Y799 | P199-A201 PolarHBondContact O-N 2.89Å; P199-E202 HydrophobicContact CG-CB 3.92Å; P199-E202 WeakPolarHBondContact O-CB 3.35Å; P199-E202 PolarHBondContact O-N 3.23Å; P199-A203 PolarHBondContact O-N 2.82Å; P199-Y799 HydrophobicContact CB-CD1 4.27Å; P199-Y799 HydrophobicContact CB-CE1 3.48Å; P199-Y799 VanDerWaalsContact CB-CE1 3.48Å; P199-Y799 HydrophobicContact CB-CE2 4.37Å; P199-Y799 HydrophobicContact CG-CE1 3.67Å; P199-Y799 WeakPolarHBondContact CG-OH 3.2Å | ||
| 200 | P | 93.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -48.5 | -51.3 | -175.7 | -32.8 | 37.3 | 0 | 0 | 0 | 114.9 | E202 A203 E204 P797 | P200-E202 PolarHBondContact O-N 3Å; P200-A203 CarbonylContact O-C 3.55Å; P200-A203 WeakPolarHBondContact O-CA 3.34Å; P200-A203 WeakPolarHBondContact O-CB 3.44Å; P200-A203 PolarHBondContact O-N 3.38Å; P200-E204 WeakPolarHBondContact O-CG 3.43Å; P200-E204 PolarHBondContact O-N 3.29Å; P200-P797 HydrophobicContact CG-CG 4.25Å |
| 201 | A | 92.8 | Very high | 94 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -14.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E114 P199 L205 Y799 | E114-A201 VanDerWaalsContact CD-CB 3.48Å; E114-A201 HydrophobicContact CG-CB 3.81Å; P199-A201 PolarHBondContact O-N 2.89Å; A201-L205 VanDerWaalsContact O-CB 3.24Å; A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 2.89Å; A201-Y799 HydrophobicContact CB-CE2 3.92Å |
| 202 | E | 94.7 | Very high | 93.9 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -78.5 | -40.1 | 165.6 | -166 | -168.1 | 130.6 | 0 | 0 | 111.2 | R198 P199 P200 L205 L206 | R198-E202 IonicContact CZ-OE1 3.82Å; R198-E202 IonicContact NH1-OE1 3.59Å; R198-E202 PolarHBondContact NH1-OE1 2.58Å; P199-E202 HydrophobicContact CG-CB 3.92Å; P199-E202 WeakPolarHBondContact O-CB 3.35Å; P199-E202 PolarHBondContact O-N 3.23Å; P200-E202 PolarHBondContact O-N 3Å; E202-L205 PolarHBondContact O-N 3.37Å; E202-L206 HydrophobicContact CG-CD1 4.24Å; E202-L206 WeakPolarHBondContact O-CB 3.49Å; E202-L206 VanDerWaalsContact O-CG 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.32Å |
| 203 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q149 A150 P199 P200 L206 Y207 | Q149-A203 HydrophobicContact CB-CB 3.97Å; Q149-A203 HydrophobicContact CG-CB 3.83Å; A150-A203 HydrophobicContact CB-CB 4.06Å; P199-A203 PolarHBondContact O-N 2.82Å; P200-A203 CarbonylContact O-C 3.55Å; P200-A203 WeakPolarHBondContact O-CA 3.34Å; P200-A203 WeakPolarHBondContact O-CB 3.44Å; P200-A203 PolarHBondContact O-N 3.38Å; A203-L206 PolarHBondContact O-N 3.05Å; A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 3.34Å |
| 204 | E | 95.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -49.3 | 169.7 | -65.6 | 166.4 | -141.7 | 0 | 0 | 111.9 | Y118 Y121 A150 P200 L206 Y207 I208 | Y118-E204 VanDerWaalsContact CA-OE2 3.26Å; Y118-E204 WeakPolarHBondContact CA-OE2 3.3Å; Y118-E204 WeakPolarHBondContact CB-OE2 3.38Å; Y121-E204 HydrophobicContact CD1-CG 3.86Å; Y121-E204 HydrophobicContact CD2-CB 4.39Å; Y121-E204 HydrophobicContact CD2-CG 4.39Å; Y121-E204 HydrophobicContact CE1-CG 4.25Å; Y121-E204 HydrophobicContact CG-CB 4.12Å; Y121-E204 HydrophobicContact CG-CG 3.93Å; A150-E204 HydrophobicContact CB-CG 3.98Å; P200-E204 WeakPolarHBondContact O-CG 3.43Å; P200-E204 PolarHBondContact O-N 3.29Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.31Å; E204-Y207 WeakPolarHBondContact O-CB 3.47Å; E204-Y207 PolarHBondContact O-N 2.82Å; E204-I208 WeakPolarHBondContact O-CG1 3.25Å; E204-I208 PolarHBondContact O-N 3.03Å |
| 205 | L | 94.9 | Very high | 93.4 | Very high | 42 Ų | 42 | 43.4 Ų | 43.4 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 179.1 | -179.8 | 70.4 | 0 | 0 | 0 | 111.8 | V108 A201 E202 K209 | V108-L205 HydrophobicContact CB-CD1 4.27Å; V108-L205 HydrophobicContact CG1-CD1 3.52Å; V108-L205 HydrophobicContact CG2-CD1 3.72Å; A201-L205 VanDerWaalsContact O-CB 3.24Å; A201-L205 WeakPolarHBondContact O-CB 3.47Å; A201-L205 PolarHBondContact O-N 2.89Å; E202-L205 PolarHBondContact O-N 3.37Å; L205-K209 HydrophobicContact CG-CD 4.4Å; L205-K209 WeakPolarHBondContact O-CB 3.16Å; L205-K209 WeakPolarHBondContact O-CD 3.4Å; L205-K209 VanDerWaalsContact O-CG 3.23Å; L205-K209 WeakPolarHBondContact O-CG 3.5Å; L205-K209 PolarHBondContact O-N 3.43Å; L205-K209 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 95.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 43.2 Ų | 43.2 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -72.3 | -38 | 175.2 | -72.8 | 169.9 | 0 | 0 | 0 | 112 | L146 E202 A203 E204 K209 E210 | L146-L206 HydrophobicContact CD1-CB 4.28Å; L146-L206 HydrophobicContact CD2-CB 3.68Å; L146-L206 HydrophobicContact CD2-CD1 4.24Å; E202-L206 HydrophobicContact CG-CD1 4.24Å; E202-L206 WeakPolarHBondContact O-CB 3.49Å; E202-L206 VanDerWaalsContact O-CG 3.27Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.32Å; A203-L206 PolarHBondContact O-N 3.05Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.31Å; L206-K209 WeakPolarHBondContact O-CB 3.4Å; L206-K209 PolarHBondContact O-N 3.39Å; L206-E210 PolarHBondContact O-N 2.97Å |
| 207 | Y | 97.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | 173.5 | -169.7 | -77.7 | 0 | 0 | 0 | 110.5 | Y121 V124 K125 L143 L146 A147 A203 E204 K209 E210 V211 | Y121-Y207 AromaticContact CD2-CD1 3.72Å; Y121-Y207 HydrophobicContact CD2-CD1 3.72Å; Y121-Y207 HydrophobicContact CD2-CD2 4.43Å; Y121-Y207 HydrophobicContact CD2-CE1 4.4Å; Y121-Y207 AromaticContact CD2-CG 3.77Å; Y121-Y207 HydrophobicContact CD2-CG 3.77Å; Y121-Y207 AromaticContact CE2-CD1 3.96Å; Y121-Y207 HydrophobicContact CE2-CD1 3.96Å; Y121-Y207 AromaticContact CE2-CD2 3.88Å; Y121-Y207 HydrophobicContact CE2-CD2 3.88Å; Y121-Y207 HydrophobicContact CE2-CE1 4.43Å; Y121-Y207 HydrophobicContact CE2-CE2 4.36Å; Y121-Y207 AromaticContact CE2-CG 3.68Å; Y121-Y207 HydrophobicContact CE2-CG 3.68Å; V124-Y207 HydrophobicContact CG2-CD1 4.07Å; V124-Y207 HydrophobicContact CG2-CE1 4.04Å; K125-Y207 WeakPolarHBondContact CA-OH 3.36Å; K125-Y207 HydrophobicContact CB-CE1 3.93Å; L143-Y207 HydrophobicContact CB-CD2 4.25Å; L143-Y207 HydrophobicContact CB-CE2 3.63Å; L143-Y207 HydrophobicContact CD2-CD1 4.16Å; L143-Y207 HydrophobicContact CD2-CD2 3.84Å; L143-Y207 HydrophobicContact CD2-CE1 4.1Å; L143-Y207 HydrophobicContact CD2-CE2 3.79Å; L143-Y207 HydrophobicContact CD2-CG 4.01Å; L143-Y207 HydrophobicContact CG-CE2 4.3Å; L143-Y207 VanDerWaalsContact O-CD2 3.26Å; L143-Y207 WeakPolarHBondContact O-CD2 3.35Å; L143-Y207 WeakPolarHBondContact O-CE2 3.36Å; L146-Y207 HydrophobicContact CB-CD2 3.98Å; A147-Y207 HydrophobicContact CB-CD2 4.06Å; A147-Y207 HydrophobicContact CB-CE2 3.78Å; A203-Y207 WeakPolarHBondContact O-CB 3.5Å; A203-Y207 PolarHBondContact O-N 3.34Å; E204-Y207 WeakPolarHBondContact O-CB 3.47Å; E204-Y207 PolarHBondContact O-N 2.82Å; Y207-K209 VanDerWaalsContact C-N 3.28Å; Y207-K209 PolarHBondContact O-N 2.78Å; Y207-E210 PolarHBondContact O-N 2.99Å; Y207-V211 HydrophobicContact CD1-CG2 3.81Å; Y207-V211 HydrophobicContact CE1-CG2 3.5Å; Y207-V211 WeakPolarHBondContact O-CG2 3.5Å; Y207-V211 PolarHBondContact O-N 3.3Å |
| 208 | I | 95.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.3 | -38.2 | 177.1 | -57.3 | 163.8 | 0 | 0 | 0 | 110.7 | V108 R117 Y120 V124 E204 E210 V211 E212 | V108-I208 HydrophobicContact CB-CB 4.38Å; V108-I208 HydrophobicContact CB-CG2 3.79Å; V108-I208 HydrophobicContact CG2-CB 4.02Å; V108-I208 HydrophobicContact CG2-CD1 3.88Å; V108-I208 HydrophobicContact CG2-CG2 3.7Å; R117-I208 WeakPolarHBondContact O-CD1 3.37Å; Y120-I208 HydrophobicContact CD1-CD1 4.29Å; Y120-I208 HydrophobicContact CD1-CG1 4.47Å; Y120-I208 HydrophobicContact CD1-CG2 4.04Å; Y120-I208 HydrophobicContact CE1-CG2 4.11Å; V124-I208 HydrophobicContact CG2-CG1 4.17Å; E204-I208 WeakPolarHBondContact O-CG1 3.25Å; E204-I208 PolarHBondContact O-N 3.03Å; I208-E210 VanDerWaalsContact C-N 3.27Å; I208-E210 PolarHBondContact O-N 2.87Å; I208-V211 PolarHBondContact O-N 3.14Å; I208-E212 WeakPolarHBondContact O-CB 3.36Å; I208-E212 PolarHBondContact O-N 3.34Å |
| 209 | K | 94.6 | Very high | 93 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.1 | -21.5 | 175.3 | -79.2 | 169.4 | -177.3 | 171.8 | 0 | 114.7 | V108 L205 L206 Y207 K213 | V108-K209 HydrophobicContact CG1-CD 4.3Å; V108-K209 HydrophobicContact CG1-CG 3.66Å; L205-K209 HydrophobicContact CG-CD 4.4Å; L205-K209 WeakPolarHBondContact O-CB 3.16Å; L205-K209 WeakPolarHBondContact O-CD 3.4Å; L205-K209 VanDerWaalsContact O-CG 3.23Å; L205-K209 WeakPolarHBondContact O-CG 3.5Å; L205-K209 PolarHBondContact O-N 3.43Å; L205-K209 VanDerWaalsContact O-N 3.1Å; L206-K209 WeakPolarHBondContact O-CB 3.4Å; L206-K209 PolarHBondContact O-N 3.39Å; Y207-K209 VanDerWaalsContact C-N 3.28Å; Y207-K209 PolarHBondContact O-N 2.78Å; K209-K213 WeakPolarHBondContact O-CE 3.43Å; K209-K213 PolarHBondContact O-NZ 3.33Å |
| 210 | E | 94.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -91 | -34.3 | 173.1 | -166.1 | 60.3 | -151.1 | 0 | 0 | 111.2 | R139 L143 L206 Y207 I208 K213 | R139-E210 IonicContact NE-OE1 2.77Å; L143-E210 HydrophobicContact CD2-CB 3.84Å; L143-E210 HydrophobicContact CD2-CG 4.13Å; L143-E210 HydrophobicContact CG-CG 4.44Å; L206-E210 PolarHBondContact O-N 2.97Å; Y207-E210 PolarHBondContact O-N 2.99Å; I208-E210 VanDerWaalsContact C-N 3.27Å; I208-E210 PolarHBondContact O-N 2.87Å; E210-K213 WeakPolarHBondContact O-CB 3.23Å; E210-K213 PolarHBondContact O-N 3.15Å; E210-K213 IonicContact OE2-NZ 3.44Å; E210-K213 PolarHBondContact OE2-NZ 2.96Å |
| 211 | V | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.6 | -31.9 | 174 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | V124 V128 L133 L143 Y207 I208 K213 L214 F217 | V124-V211 HydrophobicContact CB-CB 4.47Å; V124-V211 HydrophobicContact CB-CG1 3.91Å; V124-V211 HydrophobicContact CG2-CB 4.34Å; V124-V211 HydrophobicContact CG2-CG1 4.33Å; V124-V211 HydrophobicContact CG2-CG2 4.4Å; V128-V211 HydrophobicContact CG2-CG1 4.48Å; V128-V211 HydrophobicContact CG2-CG2 4.05Å; L133-V211 HydrophobicContact CD1-CG1 3.51Å; L143-V211 HydrophobicContact CD1-CG2 4.06Å; L143-V211 HydrophobicContact CD2-CG2 3.54Å; L143-V211 HydrophobicContact CG-CG2 4.48Å; Y207-V211 HydrophobicContact CD1-CG2 3.81Å; Y207-V211 HydrophobicContact CE1-CG2 3.5Å; Y207-V211 WeakPolarHBondContact O-CG2 3.5Å; Y207-V211 PolarHBondContact O-N 3.3Å; I208-V211 PolarHBondContact O-N 3.14Å; V211-K213 PolarHBondContact O-N 2.85Å; V211-L214 HydrophobicContact CG1-CD1 4.18Å; V211-L214 HydrophobicContact CG2-CD1 4.39Å; V211-L214 WeakPolarHBondContact O-CB 3.24Å; V211-L214 PolarHBondContact O-N 2.91Å; V211-F217 HydrophobicContact CG1-CD2 3.9Å; V211-F217 HydrophobicContact CG1-CE2 4.32Å |
| 212 | E | 92.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.8 | 174.7 | 76.1 | -177.7 | -161.8 | 0 | 0 | 113.4 | N107 V108 I208 F217 | N107-E212 WeakPolarHBondContact CA-OE2 3.37Å; N107-E212 PolarHBondContact ND2-OE1 2.89Å; V108-E212 PolarHBondContact N-OE2 3.02Å; I208-E212 WeakPolarHBondContact O-CB 3.36Å; I208-E212 PolarHBondContact O-N 3.34Å; E212-F217 HydrophobicContact CB-CD1 3.95Å; E212-F217 HydrophobicContact CB-CE1 3.59Å; E212-F217 HydrophobicContact CB-CE2 4.49Å; E212-F217 HydrophobicContact CB-CZ 3.88Å |
| 213 | K | 90.5 | Very high | 92.3 | Very high | 117 Ų | 117 | 39.1 Ų | 39.1 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 6.5 | 174.8 | -51.7 | 167.9 | -174.1 | 155.6 | 0 | 113.9 | R139 K209 E210 V211 | R139-K213 PolarHBondContact NH1-O 3.48Å; K209-K213 WeakPolarHBondContact O-CE 3.43Å; K209-K213 PolarHBondContact O-NZ 3.33Å; E210-K213 WeakPolarHBondContact O-CB 3.23Å; E210-K213 PolarHBondContact O-N 3.15Å; E210-K213 IonicContact OE2-NZ 3.44Å; E210-K213 PolarHBondContact OE2-NZ 2.96Å; V211-K213 PolarHBondContact O-N 2.85Å |
| 214 | L | 90.9 | Very high | 92 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -93.5 | 139.1 | 178.3 | -62.9 | -178 | 0 | 0 | 0 | 111.8 | V128 L133 C135 L143 V211 G216 F217 | V128-L214 HydrophobicContact CG2-CD1 4.09Å; L133-L214 HydrophobicContact CB-CD1 4.2Å; C135-L214 HydrophobicContact CB-CD1 3.97Å; C135-L214 HydrophobicContact CB-CD2 3.79Å; L143-L214 HydrophobicContact CD1-CD1 4.29Å; V211-L214 HydrophobicContact CG1-CD1 4.18Å; V211-L214 HydrophobicContact CG2-CD1 4.39Å; V211-L214 WeakPolarHBondContact O-CB 3.24Å; V211-L214 PolarHBondContact O-N 2.91Å; L214-G216 PolarHBondContact O-N 3.21Å; L214-F217 WeakPolarHBondContact O-CB 3.36Å; L214-F217 PolarHBondContact O-N 3.19Å; L214-F217 VanDerWaalsContact O-N 3.12Å |
| 215 | D | 86.9 | Confident | 91.8 | Very high | 150 Ų | 150 | 43 Ų | 43 | 80% | 0.802 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | 124.5 | 172.8 | -83.8 | -51.5 | 0 | 0 | 0 | 110.2 | ||
| 216 | G | 86.9 | Confident | 91.4 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.7 | -13.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L214 G218 Q219 | L214-G216 PolarHBondContact O-N 3.21Å; G216-G218 PolarHBondContact O-N 3.05Å; G216-G218 VanDerWaalsContact O-N 3.16Å; G216-Q219 VanDerWaalsContact O-CB 3.25Å; G216-Q219 WeakPolarHBondContact O-CB 3.3Å; G216-Q219 WeakPolarHBondContact O-CG 3.49Å; G216-Q219 PolarHBondContact O-N 3.37Å |
| 217 | F | 91.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 121.6 | -179.5 | 176.2 | -111.3 | 0 | 0 | 0 | 112.6 | Y104 Y120 V124 V211 E212 L214 Q219 F238 | Y104-F217 HydrophobicContact CD1-CE2 4.13Å; Y104-F217 HydrophobicContact CD1-CZ 4.37Å; Y120-F217 HydrophobicContact CE1-CE2 4.11Å; Y120-F217 AromaticContact CE1-CZ 3.95Å; Y120-F217 HydrophobicContact CE1-CZ 3.95Å; V124-F217 HydrophobicContact CG1-CE2 3.96Å; V211-F217 HydrophobicContact CG1-CD2 3.9Å; V211-F217 HydrophobicContact CG1-CE2 4.32Å; E212-F217 HydrophobicContact CB-CD1 3.95Å; E212-F217 HydrophobicContact CB-CE1 3.59Å; E212-F217 HydrophobicContact CB-CE2 4.49Å; E212-F217 HydrophobicContact CB-CZ 3.88Å; L214-F217 WeakPolarHBondContact O-CB 3.36Å; L214-F217 PolarHBondContact O-N 3.19Å; L214-F217 VanDerWaalsContact O-N 3.12Å; F217-Q219 PolarHBondContact O-N 3.13Å; F217-F238 AromaticContact CD1-CE1 3.73Å; F217-F238 HydrophobicContact CD1-CE1 3.73Å; F217-F238 HydrophobicContact CD1-CZ 4.19Å; F217-F238 AromaticContact CE1-CE1 3.98Å; F217-F238 HydrophobicContact CE1-CE1 3.98Å |
| 218 | G | 89.5 | Confident | 90.3 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 26.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y104 G216 S237 | Y104-G218 VanDerWaalsContact CD1-CA 3.44Å; Y104-G218 VanDerWaalsContact CG-CA 3.46Å; G216-G218 PolarHBondContact O-N 3.05Å; G216-G218 VanDerWaalsContact O-N 3.16Å; G218-S237 WeakPolarHBondContact O-CA 3.34Å |
| 219 | Q | 90 | Very high | 89.7 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | trans | -106.2 | 125.2 | 177.3 | -57.1 | -177.7 | 25.2 | 0 | 0 | 111.1 | G216 F217 M236 F242 | G216-Q219 VanDerWaalsContact O-CB 3.25Å; G216-Q219 WeakPolarHBondContact O-CB 3.3Å; G216-Q219 WeakPolarHBondContact O-CG 3.49Å; G216-Q219 PolarHBondContact O-N 3.37Å; F217-Q219 PolarHBondContact O-N 3.13Å; Q219-M236 WeakPolarHBondContact CA-O 3.3Å; Q219-F242 HydrophobicContact CB-CE1 3.82Å; Q219-F242 HydrophobicContact CB-CZ 3.94Å; Q219-F242 HydrophobicContact CG-CE1 3.99Å; Q219-F242 HydrophobicContact CG-CZ 4.45Å | ||
| 220 | E | 89.8 | Confident | 89.3 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.3 | 172.7 | -167.1 | 174.9 | 165.6 | 0 | 0 | 108.7 | W77 F222 G235 M236 R300 | W77-E220 PolarHBondContact NE1-OE1 3.46Å; W77-E220 PolarHBondContact NE1-OE2 2.98Å; E220-F222 HydrophobicContact CG-CE2 4.15Å; E220-F222 HydrophobicContact CG-CZ 3.81Å; E220-F222 WeakPolarHBondContact OE1-CZ 3.4Å; E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.41Å; E220-M236 HydrophobicContact CB-CG 4.15Å; E220-M236 PolarHBondContact N-O 3.17Å; E220-M236 PolarHBondContact O-N 2.81Å; E220-R300 IonicContact OE2-CZ 2.67Å; E220-R300 IonicContact OE2-NH1 3.74Å; E220-R300 PolarHBondContact OE2-NH1 3.13Å; E220-R300 IonicContact OE2-NH2 3.5Å; E220-R300 PolarHBondContact OE2-NH2 2.9Å |
| 221 | S | 89.6 | Confident | 89 | Confident | 57 Ų | 57 | 60.6 Ų | 60.6 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142 | -174.6 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | I234 | S221-I234 CarbonylContact C-O 3.6Å; S221-I234 WeakPolarHBondContact CA-O 3.27Å |
| 222 | F | 90.3 | Very high | 88.8 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.5 | -174.6 | -52.7 | -82.3 | 0 | 0 | 0 | 110.5 | P73 E220 F233 I234 M236 M284 I293 L296 F297 | P73-F222 HydrophobicContact CB-CD1 4.26Å; P73-F222 HydrophobicContact CB-CE1 4.22Å; P73-F222 HydrophobicContact CG-CD1 4.11Å; P73-F222 HydrophobicContact CG-CE1 3.92Å; E220-F222 HydrophobicContact CG-CE2 4.15Å; E220-F222 HydrophobicContact CG-CZ 3.81Å; E220-F222 WeakPolarHBondContact OE1-CZ 3.4Å; F222-F233 CarbonylContact O-C 3.53Å; F222-F233 VanDerWaalsContact O-CA 3.32Å; F222-F233 WeakPolarHBondContact O-CA 3.25Å; F222-I234 HydrophobicContact CB-CG2 4.39Å; F222-I234 PolarHBondContact N-O 3.07Å; F222-I234 PolarHBondContact O-N 3.49Å; F222-M236 HydrophobicContact CE2-SD 4.32Å; F222-M284 HydrophobicContact CB-CE 4.27Å; F222-I293 HydrophobicContact CB-CD1 3.77Å; F222-I293 HydrophobicContact CD1-CD1 3.89Å; F222-I293 HydrophobicContact CD1-CG1 4.25Å; F222-I293 HydrophobicContact CD2-CD1 4.13Å; F222-I293 HydrophobicContact CD2-CG1 4.24Å; F222-I293 HydrophobicContact CD2-CG2 4.05Å; F222-I293 HydrophobicContact CE1-CG1 4.46Å; F222-I293 HydrophobicContact CE2-CG1 4.46Å; F222-I293 HydrophobicContact CE2-CG2 4.36Å; F222-I293 HydrophobicContact CG-CD1 3.63Å; F222-I293 HydrophobicContact CG-CG1 4.13Å; F222-L296 HydrophobicContact CE2-CD2 4.1Å; F222-L296 HydrophobicContact CZ-CD2 3.71Å; F222-F297 HydrophobicContact CD2-CE1 4.13Å; F222-F297 AromaticContact CE2-CE1 3.99Å; F222-F297 HydrophobicContact CE2-CE1 3.99Å |
| 223 | P | 90.3 | Very high | 88.7 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 134.1 | 175.4 | 29.4 | -34.2 | 0 | 0 | 0 | 110.3 | F233 M284 M289 | P223-F233 HydrophobicContact CB-CD1 4.34Å; P223-F233 HydrophobicContact CB-CE1 3.94Å; P223-F233 HydrophobicContact CB-CZ 4.47Å; P223-M284 WeakPolarHBondContact O-CE 3.47Å; P223-M289 HydrophobicContact CG-CE 4.38Å |
| 224 | A | 91.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 173.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I232 I234 H283 M284 | A224-I232 HydrophobicContact CB-CG1 4.37Å; A224-I232 PolarHBondContact N-O 3.36Å; A224-I232 VanDerWaalsContact O-CG1 3.32Å; A224-I232 WeakPolarHBondContact O-CG1 3.24Å; A224-I232 PolarHBondContact O-N 3.35Å; A224-I234 HydrophobicContact CB-CB 4.34Å; A224-I234 HydrophobicContact CB-CG2 3.85Å; A224-H283 CarbonylContact C-O 3.55Å; A224-H283 WeakPolarHBondContact CA-O 3.43Å; A224-M284 HydrophobicContact CB-CE 3.98Å; A224-M284 HydrophobicContact CB-SD 3.7Å |
| 225 | K | 90.8 | Very high | 88.7 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.3 | 171.3 | -68.4 | 176.3 | -178.2 | -67.3 | 0 | 110.7 | N230 D231 H283 | K225-N230 VanDerWaalsContact CA-O 3.3Å; K225-N230 WeakPolarHBondContact CA-O 3.41Å; K225-D231 IonicContact NZ-OD1 2.63Å; K225-D231 PolarHBondContact NZ-OD1 3.5Å; K225-H283 HydrophobicContact CB-CB 4.24Å; K225-H283 PolarHBondContact N-O 3.1Å; K225-H283 PolarHBondContact O-N 2.68Å |
| 226 | D | 87.3 | Confident | 88.8 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | trans | -76.3 | -175.6 | 173.4 | 71.8 | 3.9 | 0 | 0 | 0 | 112.2 | Y228 T229 N230 I232 H283 | D226-Y228 PolarHBondContact O-N 3.02Å; D226-Y228 VanDerWaalsContact OD1-CA 3.24Å; D226-Y228 WeakPolarHBondContact OD1-CA 3.43Å; D226-Y228 WeakPolarHBondContact OD1-CB 3.38Å; D226-Y228 PolarHBondContact OD1-N 3.44Å; D226-T229 PolarHBondContact O-N 3.07Å; D226-T229 PolarHBondContact OD1-N 2.82Å; D226-N230 PolarHBondContact N-O 2.97Å; D226-N230 PolarHBondContact OD1-N 3.28Å; D226-N230 PolarHBondContact OD1-ND2 2.84Å; D226-N230 PolarHBondContact OD2-ND2 3.49Å; D226-I232 HydrophobicContact CB-CD1 3.88Å; D226-H283 PolarHBondContact O-ND1 3.44Å | ||
| 227 | N | 84.8 | Confident | 89 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.8 | 174.8 | -73.3 | -26.9 | 0 | 0 | 0 | 113.7 | N281 | N227-N281 WeakPolarHBondContact OD1-CB 3.3Å; N227-N281 PolarHBondContact OD1-O 3.28Å |
| 228 | Y | 84.5 | Confident | 88.8 | Confident | 185 Ų | 185 | 49.3 Ų | 49.3 | 73% | 0.725 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 8.2 | 177 | -51.9 | -73.3 | 0 | 0 | 0 | 112.3 | D226 N230 | D226-Y228 PolarHBondContact O-N 3.02Å; D226-Y228 VanDerWaalsContact OD1-CA 3.24Å; D226-Y228 WeakPolarHBondContact OD1-CA 3.43Å; D226-Y228 WeakPolarHBondContact OD1-CB 3.38Å; D226-Y228 PolarHBondContact OD1-N 3.44Å; Y228-N230 VanDerWaalsContact C-N 3.31Å; Y228-N230 PolarHBondContact O-N 3.49Å |
| 229 | T | 82.4 | Confident | 88.7 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 64% | 0.638 | 26% | 0.264 | S | S | * | . | trans | 69.8 | 9.1 | -178.3 | 69.1 | 0 | 0 | 0 | 0 | 116.9 | D226 | D226-T229 PolarHBondContact O-N 3.07Å; D226-T229 PolarHBondContact OD1-N 2.82Å | ||
| 230 | N | 86.3 | Confident | 88.7 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | trans | -66.6 | 137.8 | 176.8 | -58.6 | -59.8 | 0 | 0 | 0 | 111.9 | K225 D226 Y228 I232 | K225-N230 VanDerWaalsContact CA-O 3.3Å; K225-N230 WeakPolarHBondContact CA-O 3.41Å; D226-N230 PolarHBondContact N-O 2.97Å; D226-N230 PolarHBondContact OD1-N 3.28Å; D226-N230 PolarHBondContact OD1-ND2 2.84Å; D226-N230 PolarHBondContact OD2-ND2 3.49Å; Y228-N230 VanDerWaalsContact C-N 3.31Å; Y228-N230 PolarHBondContact O-N 3.49Å; N230-I232 PolarHBondContact O-N 3.04Å | ||
| 231 | D | 88.7 | Confident | 88.8 | Confident | 83 Ų | 83 | 45.9 Ų | 45.9 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 116.1 | 175.1 | -66.8 | -37.8 | 0 | 0 | 0 | 111.5 | K225 | K225-D231 IonicContact NZ-OD1 2.63Å; K225-D231 PolarHBondContact NZ-OD1 3.5Å |
| 232 | I | 91.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 167.9 | -177.2 | 53.9 | 163.1 | 0 | 0 | 0 | 110.5 | A224 D226 N230 V243 K244 I251 F282 | A224-I232 HydrophobicContact CB-CG1 4.37Å; A224-I232 PolarHBondContact N-O 3.36Å; A224-I232 VanDerWaalsContact O-CG1 3.32Å; A224-I232 WeakPolarHBondContact O-CG1 3.24Å; A224-I232 PolarHBondContact O-N 3.35Å; D226-I232 HydrophobicContact CB-CD1 3.88Å; N230-I232 PolarHBondContact O-N 3.04Å; I232-V243 HydrophobicContact CB-CG1 4.07Å; I232-V243 HydrophobicContact CD1-CG1 3.69Å; I232-V243 HydrophobicContact CG1-CG1 4.43Å; I232-V243 HydrophobicContact CG2-CG1 4.39Å; I232-K244 WeakPolarHBondContact CA-O 3.27Å; I232-I251 HydrophobicContact CG2-CD1 3.93Å; I232-F282 HydrophobicContact CD1-CD1 3.71Å; I232-F282 HydrophobicContact CD1-CE1 3.95Å |
| 233 | F | 90.4 | Very high | 88.8 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.2 | 168.1 | -73.1 | -89.5 | 0 | 0 | 0 | 109.1 | F222 P223 V243 K244 | F222-F233 CarbonylContact O-C 3.53Å; F222-F233 VanDerWaalsContact O-CA 3.32Å; F222-F233 WeakPolarHBondContact O-CA 3.25Å; P223-F233 HydrophobicContact CB-CD1 4.34Å; P223-F233 HydrophobicContact CB-CE1 3.94Å; P223-F233 HydrophobicContact CB-CZ 4.47Å; F233-V243 CarbonylContact O-C 3.48Å; F233-V243 WeakPolarHBondContact O-CA 3.14Å; F233-K244 HydrophobicContact CB-CB 4.39Å; F233-K244 PolarHBondContact N-O 3.28Å; F233-K244 PolarHBondContact O-N 2.88Å |
| 234 | I | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.6 | 166.4 | -168.5 | -174.1 | 0 | 0 | 0 | 108 | S221 F222 A224 V241 I269 F282 M284 F297 | S221-I234 CarbonylContact C-O 3.6Å; S221-I234 WeakPolarHBondContact CA-O 3.27Å; F222-I234 HydrophobicContact CB-CG2 4.39Å; F222-I234 PolarHBondContact N-O 3.07Å; F222-I234 PolarHBondContact O-N 3.49Å; A224-I234 HydrophobicContact CB-CB 4.34Å; A224-I234 HydrophobicContact CB-CG2 3.85Å; I234-V241 HydrophobicContact CD1-CG1 4.47Å; I234-V241 HydrophobicContact CG1-CG1 4.23Å; I234-I269 HydrophobicContact CD1-CG2 4.48Å; I234-F282 HydrophobicContact CD1-CB 4.1Å; I234-F282 HydrophobicContact CD1-CD1 4.34Å; I234-F282 HydrophobicContact CD1-CD2 3.47Å; I234-F282 VanDerWaalsContact CD1-CD2 3.47Å; I234-F282 HydrophobicContact CD1-CE2 3.87Å; I234-F282 HydrophobicContact CD1-CG 3.72Å; I234-F282 HydrophobicContact CD1-CZ 4.46Å; I234-F282 HydrophobicContact CG1-CD2 4.37Å; I234-F282 HydrophobicContact CG1-CE2 4.47Å; I234-F282 HydrophobicContact CG1-CG 4.39Å; I234-M284 HydrophobicContact CG2-SD 4.28Å; I234-F297 HydrophobicContact CD1-CE2 3.6Å; I234-F297 HydrophobicContact CD1-CZ 3.99Å; I234-F297 HydrophobicContact CG1-CE2 3.89Å; I234-F297 HydrophobicContact CG1-CZ 3.99Å |
| 235 | G | 89.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 176.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E220 V241 F242 | E220-G235 CarbonylContact O-C 3.58Å; E220-G235 WeakPolarHBondContact O-CA 3.41Å; G235-V241 CarbonylContact O-C 3.59Å; G235-V241 WeakPolarHBondContact O-CA 3.47Å; G235-F242 PolarHBondContact N-O 3.48Å; G235-F242 PolarHBondContact O-N 3.31Å |
| 236 | M | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 143.3 | -168.4 | 63.2 | -166.8 | -37.1 | 0 | 0 | 110.8 | Q219 E220 F222 G240 F242 W256 L296 F297 R300 | Q219-M236 WeakPolarHBondContact CA-O 3.3Å; E220-M236 HydrophobicContact CB-CG 4.15Å; E220-M236 PolarHBondContact N-O 3.17Å; E220-M236 PolarHBondContact O-N 2.81Å; F222-M236 HydrophobicContact CE2-SD 4.32Å; M236-G240 WeakPolarHBondContact CA-O 3.43Å; M236-F242 VanDerWaalsContact N-CE1 3.25Å; M236-W256 HydrophobicContact CB-CZ2 4.36Å; M236-W256 HydrophobicContact CE-CH2 4.21Å; M236-L296 HydrophobicContact CE-CG 4.33Å; M236-L296 HydrophobicContact SD-CD2 4.08Å; M236-L296 HydrophobicContact SD-CG 4.04Å; M236-F297 HydrophobicContact CB-CE1 4.21Å; M236-F297 HydrophobicContact CB-CZ 4.14Å; M236-F297 HydrophobicContact CE-CB 4.18Å; M236-F297 HydrophobicContact CE-CD1 3.34Å; M236-F297 HydrophobicContact CE-CE1 3.77Å; M236-F297 HydrophobicContact CE-CG 3.78Å; M236-F297 HydrophobicContact CG-CE1 4.14Å; M236-F297 HydrophobicContact CG-CZ 4.48Å; M236-F297 HydrophobicContact SD-CD1 3.52Å; M236-F297 VanDerWaalsContact SD-CD1 3.52Å; M236-F297 HydrophobicContact SD-CE1 3.36Å; M236-F297 WeakPolarHBondContact SD-CE1 3.49Å; M236-F297 HydrophobicContact SD-CG 4.47Å; M236-F297 HydrophobicContact SD-CZ 4.23Å; M236-R300 HydrophobicContact CE-CB 3.65Å; M236-R300 HydrophobicContact CE-CG 3.64Å; M236-R300 PolarHBondContact SD-NH1 3.28Å |
| 237 | S | 90 | Very high | 86.7 | Confident | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -139.7 | -177.4 | 175 | 74.1 | 0 | 0 | 0 | 0 | 111.2 | G218 V239 G240 W256 Y304 | G218-S237 WeakPolarHBondContact O-CA 3.34Å; S237-V239 PolarHBondContact O-N 3.47Å; S237-V239 PolarHBondContact OG-N 2.92Å; S237-V239 VanDerWaalsContact OG-N 3.09Å; S237-G240 PolarHBondContact N-O 3.43Å; S237-W256 WeakPolarHBondContact O-CZ2 3.32Å; S237-W256 PolarHBondContact O-NE1 3.06Å; S237-Y304 WeakPolarHBondContact O-CE2 3.26Å | ||
| 238 | F | 87.6 | Confident | 85.9 | Confident | 34 Ų | 34 | 52 Ų | 52 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -66.2 | -11.7 | 169.2 | 54.7 | -99.2 | 0 | 0 | 0 | 114 | Y104 P106 F217 Y304 I309 C310 | Y104-F238 WeakPolarHBondContact O-CB 3.47Å; P106-F238 HydrophobicContact CB-CD2 3.6Å; P106-F238 HydrophobicContact CB-CE2 3.62Å; P106-F238 HydrophobicContact CB-CG 4.41Å; P106-F238 HydrophobicContact CB-CZ 4.46Å; P106-F238 HydrophobicContact CG-CD2 4.43Å; F217-F238 AromaticContact CD1-CE1 3.73Å; F217-F238 HydrophobicContact CD1-CE1 3.73Å; F217-F238 HydrophobicContact CD1-CZ 4.19Å; F217-F238 AromaticContact CE1-CE1 3.98Å; F217-F238 HydrophobicContact CE1-CE1 3.98Å; F238-Y304 HydrophobicContact CB-CD1 4.41Å; F238-Y304 HydrophobicContact CB-CE1 3.81Å; F238-I309 HydrophobicContact CB-CG2 4.25Å; F238-C310 PolarHBondContact O-SG 3.46Å |
| 239 | V | 87.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -89.8 | -41.9 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | S237 L253 K255 W256 | S237-V239 PolarHBondContact O-N 3.47Å; S237-V239 PolarHBondContact OG-N 2.92Å; S237-V239 VanDerWaalsContact OG-N 3.09Å; V239-L253 HydrophobicContact CG1-CD2 4.2Å; V239-K255 HydrophobicContact CG1-CG 4.17Å; V239-K255 WeakPolarHBondContact O-CA 3.42Å; V239-W256 VanDerWaalsContact O-CD1 3.28Å; V239-W256 PolarHBondContact O-N 3.12Å; V239-W256 VanDerWaalsContact O-N 3.11Å |
| 240 | G | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | -168.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | M236 S237 H254 | M236-G240 WeakPolarHBondContact CA-O 3.43Å; S237-G240 PolarHBondContact N-O 3.43Å; G240-H254 CarbonylContact C-O 3.59Å; G240-H254 WeakPolarHBondContact CA-O 3.37Å |
| 241 | V | 90.9 | Very high | 84.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.8 | 166.5 | 172.2 | 0 | 0 | 0 | 0 | 108.6 | I234 G235 H254 W256 I259 F297 | I234-V241 HydrophobicContact CD1-CG1 4.47Å; I234-V241 HydrophobicContact CG1-CG1 4.23Å; G235-V241 CarbonylContact O-C 3.59Å; G235-V241 WeakPolarHBondContact O-CA 3.47Å; V241-H254 PolarHBondContact N-O 2.96Å; V241-H254 PolarHBondContact O-N 3.31Å; V241-W256 HydrophobicContact CG2-CE3 4.48Å; V241-W256 HydrophobicContact CG2-CH2 3.72Å; V241-W256 HydrophobicContact CG2-CZ2 4.5Å; V241-W256 HydrophobicContact CG2-CZ3 3.7Å; V241-I259 HydrophobicContact CB-CD1 3.98Å; V241-I259 HydrophobicContact CG2-CD1 3.79Å; V241-F297 HydrophobicContact CB-CE2 4.46Å; V241-F297 HydrophobicContact CG1-CD2 4.47Å; V241-F297 HydrophobicContact CG1-CE2 3.83Å; V241-F297 HydrophobicContact CG2-CD2 3.73Å; V241-F297 HydrophobicContact CG2-CE2 3.81Å |
| 242 | F | 90.2 | Very high | 83.6 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.035 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 160.8 | 176.6 | 66.1 | -103.2 | 0 | 0 | 0 | 111.8 | Q219 G235 M236 K244 M252 L253 | Q219-F242 HydrophobicContact CB-CE1 3.82Å; Q219-F242 HydrophobicContact CB-CZ 3.94Å; Q219-F242 HydrophobicContact CG-CE1 3.99Å; Q219-F242 HydrophobicContact CG-CZ 4.45Å; G235-F242 PolarHBondContact N-O 3.48Å; G235-F242 PolarHBondContact O-N 3.31Å; M236-F242 VanDerWaalsContact N-CE1 3.25Å; F242-K244 HydrophobicContact CD2-CD 4.2Å; F242-K244 HydrophobicContact CD2-CG 3.92Å; F242-K244 HydrophobicContact CE2-CD 3.81Å; F242-K244 HydrophobicContact CE2-CG 4.01Å; F242-M252 CarbonylContact C-O 3.6Å; F242-M252 VanDerWaalsContact CA-O 3.28Å; F242-M252 WeakPolarHBondContact CA-O 3.3Å; F242-L253 HydrophobicContact CB-CD1 4.03Å |
| 243 | V | 89.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.7 | 171.3 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | I232 F233 S250 I251 M252 F282 | I232-V243 HydrophobicContact CB-CG1 4.07Å; I232-V243 HydrophobicContact CD1-CG1 3.69Å; I232-V243 HydrophobicContact CG1-CG1 4.43Å; I232-V243 HydrophobicContact CG2-CG1 4.39Å; F233-V243 CarbonylContact O-C 3.48Å; F233-V243 WeakPolarHBondContact O-CA 3.14Å; V243-S250 CarbonylContact O-C 3.59Å; V243-S250 WeakPolarHBondContact O-CA 3.48Å; V243-I251 HydrophobicContact CB-CB 4.47Å; V243-I251 HydrophobicContact CG1-CD1 4.04Å; V243-I251 HydrophobicContact CG1-CG1 4.46Å; V243-I251 PolarHBondContact O-N 3.26Å; V243-M252 HydrophobicContact CG2-CB 4.46Å; V243-M252 HydrophobicContact CG2-CE 4.21Å; V243-M252 PolarHBondContact N-O 3.25Å; V243-M252 PolarHBondContact O-N 3.34Å; V243-F282 HydrophobicContact CG1-CE1 4.38Å; V243-F282 HydrophobicContact CG2-CE1 3.54Å; V243-F282 HydrophobicContact CG2-CZ 3.56Å |
| 244 | K | 87.7 | Confident | 83.2 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 145.5 | 171.9 | -69 | 175.1 | -173.4 | 176 | 0 | 110 | I232 F233 F242 R249 | I232-K244 WeakPolarHBondContact CA-O 3.27Å; F233-K244 HydrophobicContact CB-CB 4.39Å; F233-K244 PolarHBondContact N-O 3.28Å; F233-K244 PolarHBondContact O-N 2.88Å; F242-K244 HydrophobicContact CD2-CD 4.2Å; F242-K244 HydrophobicContact CD2-CG 3.92Å; F242-K244 HydrophobicContact CE2-CD 3.81Å; F242-K244 HydrophobicContact CE2-CG 4.01Å; K244-R249 CarbonylContact C-O 3.25Å; K244-R249 WeakPolarHBondContact CA-O 3.18Å |
| 245 | H | 81.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 164.3 | 167.6 | -172.3 | -108.3 | 0 | 0 | 0 | 110.2 | N247 G248 R249 I251 | H245-N247 WeakPolarHBondContact CB-OD1 3.41Å; H245-N247 PolarHBondContact ND1-ND2 2.87Å; H245-N247 PolarHBondContact ND1-OD1 3.37Å; H245-N247 PolarHBondContact O-N 3.01Å; H245-G248 PolarHBondContact O-N 2.93Å; H245-R249 PolarHBondContact N-O 3.07Å; H245-I251 HydrophobicContact CB-CD1 3.92Å; H245-I251 HydrophobicContact CB-CG1 4.12Å |
| 246 | R | 76.2 | Confident | 83.1 | Confident | 191 Ų | 191 | 57.6 Ų | 57.6 | 72% | 0.721 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.8 | 178.6 | -174.4 | 172.4 | 174.3 | -179.9 | -1.8 | 114.6 | G248 | R246-G248 VanDerWaalsContact C-N 3.35Š|
| 247 | N | 71.1 | Confident | 82.9 | Confident | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 18.4 | 173.6 | 66.1 | 10.8 | 0 | 0 | 0 | 114 | H245 R249 | H245-N247 WeakPolarHBondContact CB-OD1 3.41Å; H245-N247 PolarHBondContact ND1-ND2 2.87Å; H245-N247 PolarHBondContact ND1-OD1 3.37Å; H245-N247 PolarHBondContact O-N 3.01Å; N247-R249 PolarHBondContact O-N 3.14Å; N247-R249 VanDerWaalsContact O-N 3.11Å; N247-R249 WeakPolarHBondContact OD1-CB 3.29Å; N247-R249 PolarHBondContact OD1-N 3.17Å |
| 248 | G | 66.9 | Low | 82.8 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 77.9 | -15.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | H245 R246 S250 | H245-G248 PolarHBondContact O-N 2.93Å; R246-G248 VanDerWaalsContact C-N 3.35Å; G248-S250 PolarHBondContact O-N 3.32Å |
| 249 | R | 73.7 | Confident | 82.9 | Confident | 191 Ų | 191 | 63.8 Ų | 63.8 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | trans | -68.2 | 124.8 | -178.3 | -63.7 | -176.3 | 179 | -176.7 | -0.3 | 111.3 | K244 H245 N247 I251 | K244-R249 CarbonylContact C-O 3.25Å; K244-R249 WeakPolarHBondContact CA-O 3.18Å; H245-R249 PolarHBondContact N-O 3.07Å; N247-R249 PolarHBondContact O-N 3.14Å; N247-R249 VanDerWaalsContact O-N 3.11Å; N247-R249 WeakPolarHBondContact OD1-CB 3.29Å; N247-R249 PolarHBondContact OD1-N 3.17Å; R249-I251 PolarHBondContact O-N 3.46Å | ||
| 250 | S | 70.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 121 | 171.3 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | V243 G248 | V243-S250 CarbonylContact O-C 3.59Å; V243-S250 WeakPolarHBondContact O-CA 3.48Å; G248-S250 PolarHBondContact O-N 3.32Å |
| 251 | I | 72.9 | Confident | 82.9 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -45.4 | 178.2 | -42.3 | -179.1 | 0 | 0 | 0 | 110.2 | I232 V243 H245 R249 | I232-I251 HydrophobicContact CG2-CD1 3.93Å; V243-I251 HydrophobicContact CB-CB 4.47Å; V243-I251 HydrophobicContact CG1-CD1 4.04Å; V243-I251 HydrophobicContact CG1-CG1 4.46Å; V243-I251 PolarHBondContact O-N 3.26Å; H245-I251 HydrophobicContact CB-CD1 3.92Å; H245-I251 HydrophobicContact CB-CG1 4.12Å; R249-I251 PolarHBondContact O-N 3.46Å |
| 252 | M | 77.3 | Confident | 83 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.5 | -175.7 | -63.4 | -169.8 | -69.3 | 0 | 0 | 111.5 | F242 V243 I280 | F242-M252 CarbonylContact C-O 3.6Å; F242-M252 VanDerWaalsContact CA-O 3.28Å; F242-M252 WeakPolarHBondContact CA-O 3.3Å; V243-M252 HydrophobicContact CG2-CB 4.46Å; V243-M252 HydrophobicContact CG2-CE 4.21Å; V243-M252 PolarHBondContact N-O 3.25Å; V243-M252 PolarHBondContact O-N 3.34Å; M252-I280 HydrophobicContact CE-CD1 4.44Å |
| 253 | L | 85.9 | Confident | 83 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 118.4 | 171.9 | 172.2 | 65.6 | 0 | 0 | 0 | 109.2 | V239 F242 | V239-L253 HydrophobicContact CG1-CD2 4.2Å; F242-L253 HydrophobicContact CB-CD1 4.03Å |
| 254 | H | 87.6 | Confident | 83.2 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 108.6 | 177.1 | -58.9 | -89.9 | 0 | 0 | 0 | 108.3 | G240 V241 I259 I273 I280 | G240-H254 CarbonylContact C-O 3.59Å; G240-H254 WeakPolarHBondContact CA-O 3.37Å; V241-H254 PolarHBondContact N-O 2.96Å; V241-H254 PolarHBondContact O-N 3.31Å; H254-I259 HydrophobicContact CB-CD1 4.04Å; H254-I259 HydrophobicContact CB-CG1 4.06Å; H254-I259 WeakPolarHBondContact O-CD1 3.48Å; H254-I273 HydrophobicContact CB-CD1 4Å; H254-I273 WeakPolarHBondContact ND1-CD1 3.28Å; H254-I280 WeakPolarHBondContact CE1-CD1 3.37Å; H254-I280 WeakPolarHBondContact NE2-CD1 3.49Å |
| 255 | K | 88.6 | Confident | 83.3 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 146.7 | -179.4 | -65.3 | -169.2 | 170.5 | -168.2 | 0 | 109.9 | V239 K257 D258 E312 | V239-K255 HydrophobicContact CG1-CG 4.17Å; V239-K255 WeakPolarHBondContact O-CA 3.42Å; K255-K257 HydrophobicContact CB-CG 4.05Å; K255-K257 PolarHBondContact O-N 2.97Å; K255-D258 PolarHBondContact O-N 2.99Å; K255-E312 IonicContact NZ-OE1 3.33Å; K255-E312 PolarHBondContact NZ-OE1 3.47Å; K255-E312 VanDerWaalsContact NZ-OE1 3.1Å |
| 256 | W | 89.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 3% | 0.027 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -57.2 | -21.3 | -177.2 | -68.5 | 116.8 | 0 | 0 | 0 | 115.4 | M236 S237 V239 V241 D258 I259 I262 R300 H301 Y304 C310 | M236-W256 HydrophobicContact CB-CZ2 4.36Å; M236-W256 HydrophobicContact CE-CH2 4.21Å; S237-W256 WeakPolarHBondContact O-CZ2 3.32Å; S237-W256 PolarHBondContact O-NE1 3.06Å; V239-W256 VanDerWaalsContact O-CD1 3.28Å; V239-W256 PolarHBondContact O-N 3.12Å; V239-W256 VanDerWaalsContact O-N 3.11Å; V241-W256 HydrophobicContact CG2-CE3 4.48Å; V241-W256 HydrophobicContact CG2-CH2 3.72Å; V241-W256 HydrophobicContact CG2-CZ2 4.5Å; V241-W256 HydrophobicContact CG2-CZ3 3.7Å; W256-D258 VanDerWaalsContact C-N 3.34Å; W256-I259 HydrophobicContact CE3-CD1 3.91Å; W256-I259 HydrophobicContact CZ3-CD1 4.24Å; W256-I262 HydrophobicContact CZ3-CD1 4.01Å; W256-R300 HydrophobicContact CH2-CB 4.29Å; W256-R300 HydrophobicContact CZ2-CB 4.19Å; W256-H301 HydrophobicContact CE3-CB 3.75Å; W256-H301 AromaticContact CE3-CD2 3.39Å; W256-H301 AromaticContact CE3-CG 3.83Å; W256-H301 HydrophobicContact CZ3-CB 3.66Å; W256-H301 PolarHBondContact O-NE2 3.09Å; W256-Y304 AromaticContact CD1-CD2 3.87Å; W256-Y304 HydrophobicContact CD2-CD2 4.42Å; W256-Y304 AromaticContact CE2-CD2 3.66Å; W256-Y304 HydrophobicContact CZ2-CD2 4.05Å; W256-Y304 HydrophobicContact CZ2-CE2 4.22Å; W256-Y304 AromaticContact NE1-CD2 3.27Å; W256-Y304 VanDerWaalsContact NE1-CD2 3.27Å; W256-Y304 AromaticContact NE1-CE2 3.78Å; W256-C310 HydrophobicContact CB-CB 4.37Å |
| 257 | K | 86.3 | Confident | 84.5 | Confident | 134 Ų | 134 | 71.2 Ų | 71.2 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73.5 | -21.3 | 173.5 | 64.1 | 166.6 | -173.8 | 77.3 | 0 | 114.3 | K255 | K255-K257 HydrophobicContact CB-CG 4.05Å; K255-K257 PolarHBondContact O-N 2.97Å |
| 258 | D | 88.6 | Confident | 85.5 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -102.3 | 2.8 | -174.1 | -57.2 | -48.3 | 0 | 0 | 0 | 112 | K255 W256 I273 T274 | K255-D258 PolarHBondContact O-N 2.99Å; W256-D258 VanDerWaalsContact C-N 3.34Å; D258-I273 CarbonylContact O-C 3.57Å; D258-I273 WeakPolarHBondContact O-CA 3.48Å; D258-T274 PolarHBondContact O-N 3.18Å; D258-T274 VanDerWaalsContact O-N 3.09Å; D258-T274 PolarHBondContact O-OG1 3.18Å |
| 259 | I | 89.7 | Confident | 86.7 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | trans | -106.1 | 130 | 179.6 | -63.5 | 170.8 | 0 | 0 | 0 | 109.8 | V241 H254 W256 I262 V271 E272 I273 H301 | V241-I259 HydrophobicContact CB-CD1 3.98Å; V241-I259 HydrophobicContact CG2-CD1 3.79Å; H254-I259 HydrophobicContact CB-CD1 4.04Å; H254-I259 HydrophobicContact CB-CG1 4.06Å; H254-I259 WeakPolarHBondContact O-CD1 3.48Å; W256-I259 HydrophobicContact CE3-CD1 3.91Å; W256-I259 HydrophobicContact CZ3-CD1 4.24Å; I259-I262 HydrophobicContact CG2-CD1 4.07Å; I259-I262 HydrophobicContact CG2-CG1 3.89Å; I259-V271 HydrophobicContact CD1-CG1 4.31Å; I259-V271 HydrophobicContact CG1-CG1 4.21Å; I259-V271 HydrophobicContact CG2-CG1 3.91Å; I259-E272 CarbonylContact C-O 3.59Å; I259-E272 WeakPolarHBondContact CA-O 3.44Å; I259-I273 HydrophobicContact CG1-CD1 4.08Å; I259-H301 PolarHBondContact O-CE1 2.76Å; I259-H301 PolarHBondContact O-NE2 3.06Å | ||
| 260 | G | 86.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | trans | -85.6 | -89.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E272 H301 | G260-E272 PolarHBondContact N-O 3.46Å; G260-H301 PolarHBondContact O-CE1 3.03Å | ||
| 261 | T | 88.8 | Confident | 88.6 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | trans | -115.8 | 163.5 | 170.8 | 84.3 | 0 | 0 | 0 | 0 | 111.6 | E272 | T261-E272 VanDerWaalsContact CB-OE2 3.28Å; T261-E272 WeakPolarHBondContact CB-OE2 3.36Å; T261-E272 WeakPolarHBondContact CG2-OE2 3.42Å; T261-E272 PolarHBondContact N-OE2 2.94Å; T261-E272 PolarHBondContact O-N 2.97Å; T261-E272 PolarHBondContact OG1-OE2 3.48Å | ||
| 262 | I | 92.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 121.7 | 175.6 | -55.3 | 179.9 | 0 | 0 | 0 | 107.3 | W256 I259 I269 T270 V271 A294 F297 T298 | W256-I262 HydrophobicContact CZ3-CD1 4.01Å; I259-I262 HydrophobicContact CG2-CD1 4.07Å; I259-I262 HydrophobicContact CG2-CG1 3.89Å; I262-I269 HydrophobicContact CG2-CG2 4.42Å; I262-T270 WeakPolarHBondContact CA-O 3.36Å; I262-V271 HydrophobicContact CG1-CG1 4.45Å; I262-V271 HydrophobicContact CG2-CG2 4.37Å; I262-A294 HydrophobicContact CG2-CB 4.5Å; I262-F297 HydrophobicContact CD1-CB 3.85Å; I262-F297 HydrophobicContact CD1-CD2 4.43Å; I262-F297 HydrophobicContact CG2-CB 3.96Å; I262-T298 PolarHBondContact O-OG1 2.93Å |
| 263 | A | 91.3 | Very high | 90 | Very high | 42 Ų | 42 | 49 Ų | 49 | 35% | 0.347 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I269 T270 | A263-I269 WeakPolarHBondContact O-CA 3.33Å; A263-T270 PolarHBondContact N-O 3.26Å; A263-T270 PolarHBondContact O-N 3.1Å |
| 264 | H | 93 | Very high | 90 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.3 | 169.3 | 68.7 | -59.8 | 0 | 0 | 0 | 110.2 | A268 K291 A294 | H264-A268 CarbonylContact C-O 3.59Å; H264-A268 VanDerWaalsContact CA-O 3.23Å; H264-A268 WeakPolarHBondContact CA-O 3.16Å; H264-K291 WeakPolarHBondContact NE2-CG 3.48Å; H264-A294 HydrophobicContact CB-CB 3.96Å |
| 265 | N | 90.9 | Very high | 89.4 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 57% | 0.572 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 107 | 177.9 | -177.3 | 1.3 | 0 | 0 | 0 | 108.3 | S267 A268 | N265-S267 PolarHBondContact O-N 2.95Å; N265-A268 PolarHBondContact N-O 2.83Å; N265-A268 WeakPolarHBondContact O-CB 3.39Å; N265-A268 PolarHBondContact O-N 3.35Å |
| 266 | K | 91.1 | Very high | 88.8 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 68% | 0.683 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -125.9 | -168.2 | -53.9 | 172.5 | -174.4 | 175 | 0 | 109.7 | M287 | K266-M287 WeakPolarHBondContact O-CA 3.45Å; K266-M287 WeakPolarHBondContact O-CG 3.48Å |
| 267 | S | 91 | Very high | 88.4 | Confident | 43 Ų | 43 | 63 Ų | 63 | 30% | 0.301 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.5 | 174.6 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | N265 M284 A290 | N265-S267 PolarHBondContact O-N 2.95Å; S267-M284 WeakPolarHBondContact O-CB 3.38Å; S267-M284 PolarHBondContact O-N 3.04Å; S267-A290 WeakPolarHBondContact O-CB 3.4Å |
| 268 | A | 91.9 | Very high | 88.3 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 143 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H264 N265 F282 | H264-A268 CarbonylContact C-O 3.59Å; H264-A268 VanDerWaalsContact CA-O 3.23Å; H264-A268 WeakPolarHBondContact CA-O 3.16Å; N265-A268 PolarHBondContact N-O 2.83Å; N265-A268 WeakPolarHBondContact O-CB 3.39Å; N265-A268 PolarHBondContact O-N 3.35Å; A268-F282 CarbonylContact C-O 3.5Å; A268-F282 VanDerWaalsContact CA-O 3.29Å; A268-F282 WeakPolarHBondContact CA-O 3.25Å |
| 269 | I | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.7 | 159.3 | 3.5 | -171.7 | 0 | 0 | 0 | 108.5 | I234 I262 A263 V271 N281 F282 M284 A290 I293 A294 | I234-I269 HydrophobicContact CD1-CG2 4.48Å; I262-I269 HydrophobicContact CG2-CG2 4.42Å; A263-I269 WeakPolarHBondContact O-CA 3.33Å; I269-V271 HydrophobicContact CG2-CG2 4.28Å; I269-N281 WeakPolarHBondContact O-CA 3.02Å; I269-F282 PolarHBondContact N-O 3.2Å; I269-F282 PolarHBondContact O-N 2.97Å; I269-M284 HydrophobicContact CD1-CG 3.77Å; I269-M284 HydrophobicContact CD1-SD 3.71Å; I269-M284 HydrophobicContact CG1-CG 3.68Å; I269-M284 HydrophobicContact CG1-SD 3.88Å; I269-A290 HydrophobicContact CG1-CB 4.31Å; I269-I293 HydrophobicContact CD1-CB 3.63Å; I269-I293 HydrophobicContact CD1-CG2 3.41Å; I269-I293 VanDerWaalsContact CD1-CG2 3.41Å; I269-A294 HydrophobicContact CB-CB 4.41Å |
| 270 | T | 92 | Very high | 88.1 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.7 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 109 | I262 A263 I280 N281 | I262-T270 WeakPolarHBondContact CA-O 3.36Å; A263-T270 PolarHBondContact N-O 3.26Å; A263-T270 PolarHBondContact O-N 3.1Å; T270-I280 WeakPolarHBondContact CA-O 3.39Å; T270-N281 WeakPolarHBondContact CB-OD1 3.44Å; T270-N281 WeakPolarHBondContact CG2-OD1 3.43Å; T270-N281 PolarHBondContact OG1-OD1 3.42Å |
| 271 | V | 91.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 115.1 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | I259 I262 I269 I273 I280 F282 | I259-V271 HydrophobicContact CD1-CG1 4.31Å; I259-V271 HydrophobicContact CG1-CG1 4.21Å; I259-V271 HydrophobicContact CG2-CG1 3.91Å; I262-V271 HydrophobicContact CG1-CG1 4.45Å; I262-V271 HydrophobicContact CG2-CG2 4.37Å; I269-V271 HydrophobicContact CG2-CG2 4.28Å; V271-I273 HydrophobicContact CG1-CD1 3.91Å; V271-I280 PolarHBondContact N-O 3.02Å; V271-I280 PolarHBondContact O-N 3.43Å; V271-F282 HydrophobicContact CG2-CD2 4.32Å; V271-F282 HydrophobicContact CG2-CE2 4.11Å |
| 272 | E | 90.6 | Very high | 88.4 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.7 | 178.3 | -60.4 | 176.9 | 153.3 | 0 | 0 | 110.5 | I259 G260 T261 T279 | I259-E272 CarbonylContact C-O 3.59Å; I259-E272 WeakPolarHBondContact CA-O 3.44Å; G260-E272 PolarHBondContact N-O 3.46Å; T261-E272 VanDerWaalsContact CB-OE2 3.28Å; T261-E272 WeakPolarHBondContact CB-OE2 3.36Å; T261-E272 WeakPolarHBondContact CG2-OE2 3.42Å; T261-E272 PolarHBondContact N-OE2 2.94Å; T261-E272 PolarHBondContact O-N 2.97Å; T261-E272 PolarHBondContact OG1-OE2 3.48Å; E272-T279 HydrophobicContact CG-CG2 4.22Å |
| 273 | I | 89.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 92.1 | -175.1 | -55 | -57.3 | 0 | 0 | 0 | 109.7 | H254 D258 I259 V271 S275 R276 D277 D278 I280 | H254-I273 HydrophobicContact CB-CD1 4Å; H254-I273 WeakPolarHBondContact ND1-CD1 3.28Å; D258-I273 CarbonylContact O-C 3.57Å; D258-I273 WeakPolarHBondContact O-CA 3.48Å; I259-I273 HydrophobicContact CG1-CD1 4.08Å; V271-I273 HydrophobicContact CG1-CD1 3.91Å; I273-S275 WeakPolarHBondContact CG2-OG 3.26Å; I273-S275 PolarHBondContact O-N 2.94Å; I273-R276 HydrophobicContact CG2-CB 4.31Å; I273-R276 HydrophobicContact CG2-CG 4.38Å; I273-R276 PolarHBondContact O-N 3.27Å; I273-D277 PolarHBondContact O-N 2.8Å; I273-D277 VanDerWaalsContact O-N 3.08Å; I273-D278 HydrophobicContact CB-CB 4.46Å; I273-D278 PolarHBondContact N-O 3.33Å; I273-I280 HydrophobicContact CD1-CD1 4.42Å; I273-I280 HydrophobicContact CG1-CD1 4.01Å; I273-I280 HydrophobicContact CG1-CG1 4.19Å |
| 274 | T | 84.2 | Confident | 88.4 | Confident | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -1.9 | -176.7 | 49 | 0 | 0 | 0 | 0 | 115 | D258 | D258-T274 PolarHBondContact O-N 3.18Å; D258-T274 VanDerWaalsContact O-N 3.09Å; D258-T274 PolarHBondContact O-OG1 3.18Å |
| 275 | S | 76.2 | Confident | 88.1 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.6 | 171.8 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | I273 | I273-S275 WeakPolarHBondContact CG2-OG 3.26Å; I273-S275 PolarHBondContact O-N 2.94Å |
| 276 | R | 75.5 | Confident | 87.9 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 72% | 0.717 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.8 | -3.2 | -173.8 | -63.4 | -172.5 | 179.8 | -172.6 | -0.8 | 115 | I273 D278 | I273-R276 HydrophobicContact CG2-CB 4.31Å; I273-R276 HydrophobicContact CG2-CG 4.38Å; I273-R276 PolarHBondContact O-N 3.27Å; R276-D278 HydrophobicContact CB-CB 3.9Å; R276-D278 PolarHBondContact O-N 3.42Å |
| 277 | D | 80.5 | Confident | 87.9 | Confident | 158 Ų | 158 | 59.6 Ų | 59.6 | 85% | 0.845 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.4 | -169.2 | -58.7 | -32.7 | 0 | 0 | 0 | 112.7 | I273 | I273-D277 PolarHBondContact O-N 2.8Å; I273-D277 VanDerWaalsContact O-N 3.08Å |
| 278 | D | 85.4 | Confident | 87.8 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 40% | 0.401 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.2 | -174.4 | -174.6 | 15.4 | 0 | 0 | 0 | 110.8 | I273 R276 | I273-D278 HydrophobicContact CB-CB 4.46Å; I273-D278 PolarHBondContact N-O 3.33Å; R276-D278 HydrophobicContact CB-CB 3.9Å; R276-D278 PolarHBondContact O-N 3.42Å |
| 279 | T | 86.4 | Confident | 87.6 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 109.3 | -174.8 | 63.9 | 0 | 0 | 0 | 0 | 111.4 | E272 | E272-T279 HydrophobicContact CG-CG2 4.22Å |
| 280 | I | 87.9 | Confident | 87.4 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.9 | -176.5 | -47.8 | 178.4 | 0 | 0 | 0 | 109 | M252 H254 T270 V271 I273 F282 | M252-I280 HydrophobicContact CE-CD1 4.44Å; H254-I280 WeakPolarHBondContact CE1-CD1 3.37Å; H254-I280 WeakPolarHBondContact NE2-CD1 3.49Å; T270-I280 WeakPolarHBondContact CA-O 3.39Å; V271-I280 PolarHBondContact N-O 3.02Å; V271-I280 PolarHBondContact O-N 3.43Å; I273-I280 HydrophobicContact CD1-CD1 4.42Å; I273-I280 HydrophobicContact CG1-CD1 4.01Å; I273-I280 HydrophobicContact CG1-CG1 4.19Å; I280-F282 HydrophobicContact CB-CE2 4.04Å; I280-F282 HydrophobicContact CB-CZ 4.26Å; I280-F282 HydrophobicContact CG2-CD2 4.35Å; I280-F282 HydrophobicContact CG2-CE1 4.01Å; I280-F282 HydrophobicContact CG2-CE2 3.55Å; I280-F282 HydrophobicContact CG2-CZ 3.36Å |
| 281 | N | 89.8 | Confident | 87.4 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.1 | -179.5 | -68.5 | -63.3 | 0 | 0 | 0 | 110.8 | N227 I269 T270 | N227-N281 WeakPolarHBondContact OD1-CB 3.3Å; N227-N281 PolarHBondContact OD1-O 3.28Å; I269-N281 WeakPolarHBondContact O-CA 3.02Å; T270-N281 WeakPolarHBondContact CB-OD1 3.44Å; T270-N281 WeakPolarHBondContact CG2-OD1 3.43Å; T270-N281 PolarHBondContact OG1-OD1 3.42Å |
| 282 | F | 91 | Very high | 87.4 | Confident | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.2 | -178.9 | -59.9 | -78.7 | 0 | 0 | 0 | 109.4 | I232 I234 V243 A268 I269 V271 I280 | I232-F282 HydrophobicContact CD1-CD1 3.71Å; I232-F282 HydrophobicContact CD1-CE1 3.95Å; I234-F282 HydrophobicContact CD1-CB 4.1Å; I234-F282 HydrophobicContact CD1-CD1 4.34Å; I234-F282 HydrophobicContact CD1-CD2 3.47Å; I234-F282 VanDerWaalsContact CD1-CD2 3.47Å; I234-F282 HydrophobicContact CD1-CE2 3.87Å; I234-F282 HydrophobicContact CD1-CG 3.72Å; I234-F282 HydrophobicContact CD1-CZ 4.46Å; I234-F282 HydrophobicContact CG1-CD2 4.37Å; I234-F282 HydrophobicContact CG1-CE2 4.47Å; I234-F282 HydrophobicContact CG1-CG 4.39Å; V243-F282 HydrophobicContact CG1-CE1 4.38Å; V243-F282 HydrophobicContact CG2-CE1 3.54Å; V243-F282 HydrophobicContact CG2-CZ 3.56Å; A268-F282 CarbonylContact C-O 3.5Å; A268-F282 VanDerWaalsContact CA-O 3.29Å; A268-F282 WeakPolarHBondContact CA-O 3.25Å; I269-F282 PolarHBondContact N-O 3.2Å; I269-F282 PolarHBondContact O-N 2.97Å; V271-F282 HydrophobicContact CG2-CD2 4.32Å; V271-F282 HydrophobicContact CG2-CE2 4.11Å; I280-F282 HydrophobicContact CB-CE2 4.04Å; I280-F282 HydrophobicContact CB-CZ 4.26Å; I280-F282 HydrophobicContact CG2-CD2 4.35Å; I280-F282 HydrophobicContact CG2-CE1 4.01Å; I280-F282 HydrophobicContact CG2-CE2 3.55Å; I280-F282 HydrophobicContact CG2-CZ 3.36Å |
| 283 | H | 92.4 | Very high | 87.4 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 120.7 | -177.4 | -61.2 | 95 | 0 | 0 | 0 | 110.5 | A224 K225 D226 | A224-H283 CarbonylContact C-O 3.55Å; A224-H283 WeakPolarHBondContact CA-O 3.43Å; K225-H283 HydrophobicContact CB-CB 4.24Å; K225-H283 PolarHBondContact N-O 3.1Å; K225-H283 PolarHBondContact O-N 2.68Å; D226-H283 PolarHBondContact O-ND1 3.44Å |
| 284 | M | 91.1 | Very high | 87.5 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | trans | -90.3 | 170.8 | 174.7 | -52.1 | -49.2 | -51.8 | 0 | 0 | 111.4 | F222 P223 A224 I234 S267 I269 D286 M289 A290 I293 | F222-M284 HydrophobicContact CB-CE 4.27Å; P223-M284 WeakPolarHBondContact O-CE 3.47Å; A224-M284 HydrophobicContact CB-CE 3.98Å; A224-M284 HydrophobicContact CB-SD 3.7Å; I234-M284 HydrophobicContact CG2-SD 4.28Å; S267-M284 WeakPolarHBondContact O-CB 3.38Å; S267-M284 PolarHBondContact O-N 3.04Å; I269-M284 HydrophobicContact CD1-CG 3.77Å; I269-M284 HydrophobicContact CD1-SD 3.71Å; I269-M284 HydrophobicContact CG1-CG 3.68Å; I269-M284 HydrophobicContact CG1-SD 3.88Å; M284-D286 PolarHBondContact O-N 2.93Å; M284-M289 HydrophobicContact CB-SD 3.92Å; M284-M289 HydrophobicContact CE-CE 3.76Å; M284-M289 HydrophobicContact CE-SD 3.66Å; M284-A290 HydrophobicContact CB-CB 4.05Å; M284-A290 HydrophobicContact CG-CB 3.74Å; M284-I293 HydrophobicContact CE-CD1 3.57Å; M284-I293 HydrophobicContact SD-CD1 4.41Å | ||
| 285 | E | 86.8 | Confident | 87.9 | Confident | 134 Ų | 134 | 59.9 Ų | 59.9 | 63% | 0.626 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -56.6 | -47.3 | 174.5 | -173.2 | 171.8 | -166.8 | 0 | 0 | 112.1 | T72 M289 | T72-E285 PolarHBondContact OG1-OE2 3.4Å; E285-M289 HydrophobicContact CB-SD 3.81Å |
| 286 | D | 88.1 | Confident | 88.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -144.4 | 172.5 | 176.9 | 78.6 | 61.6 | 0 | 0 | 0 | 114.8 | Q71 M284 E288 M289 A290 | Q71-D286 PolarHBondContact NE2-OD1 3.5Å; Q71-D286 PolarHBondContact NE2-OD2 3.19Å; M284-D286 PolarHBondContact O-N 2.93Å; D286-E288 VanDerWaalsContact OD1-CA 3.29Å; D286-E288 WeakPolarHBondContact OD1-CA 3.3Å; D286-E288 WeakPolarHBondContact OD1-CB 3.17Å; D286-E288 PolarHBondContact OD1-N 3.28Å; D286-M289 PolarHBondContact O-N 2.87Å; D286-M289 PolarHBondContact OD1-N 3.17Å; D286-A290 PolarHBondContact O-N 2.97Å |
| 287 | M | 90.8 | Very high | 89.4 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.7 | -31.5 | -177.9 | 176.6 | 179.3 | 66.5 | 0 | 0 | 114.1 | K266 K291 | K266-M287 WeakPolarHBondContact O-CA 3.45Å; K266-M287 WeakPolarHBondContact O-CG 3.48Å; M287-K291 WeakPolarHBondContact O-CB 3.46Å; M287-K291 PolarHBondContact O-N 3.2Å; M287-K291 VanDerWaalsContact O-N 3.07Å |
| 288 | E | 87.8 | Confident | 90 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.4 | -36.2 | 174.7 | -59.5 | -134.9 | 115.2 | 0 | 0 | 111.2 | K90 D286 K291 Y292 | K90-E288 IonicContact NZ-OE1 3.92Å; K90-E288 PolarHBondContact NZ-OE1 3.4Å; K90-E288 IonicContact NZ-OE2 2.74Å; K90-E288 PolarHBondContact NZ-OE2 3.46Å; D286-E288 VanDerWaalsContact OD1-CA 3.29Å; D286-E288 WeakPolarHBondContact OD1-CA 3.3Å; D286-E288 WeakPolarHBondContact OD1-CB 3.17Å; D286-E288 PolarHBondContact OD1-N 3.28Å; E288-K291 PolarHBondContact O-N 3.27Å; E288-Y292 WeakPolarHBondContact O-CB 3.47Å; E288-Y292 PolarHBondContact O-N 2.68Å |
| 289 | M | 87.5 | Confident | 90.2 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -51.9 | 172.4 | -165.7 | -158.8 | -167.9 | 0 | 0 | 111.2 | P223 M284 E285 D286 K291 Y292 I293 | P223-M289 HydrophobicContact CG-CE 4.38Å; M284-M289 HydrophobicContact CB-SD 3.92Å; M284-M289 HydrophobicContact CE-CE 3.76Å; M284-M289 HydrophobicContact CE-SD 3.66Å; E285-M289 HydrophobicContact CB-SD 3.81Å; D286-M289 PolarHBondContact O-N 2.87Å; D286-M289 PolarHBondContact OD1-N 3.17Å; M289-K291 VanDerWaalsContact C-N 3.3Å; M289-K291 PolarHBondContact O-N 2.87Å; M289-Y292 PolarHBondContact O-N 2.8Å; M289-Y292 VanDerWaalsContact O-N 3.15Å; M289-I293 HydrophobicContact CE-CD1 4.04Å; M289-I293 HydrophobicContact CG-CD1 3.83Å; M289-I293 WeakPolarHBondContact O-CG1 3.23Å; M289-I293 PolarHBondContact O-N 2.83Å; M289-I293 HydrophobicContact SD-CD1 4.37Å |
| 290 | A | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.6 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S267 I269 M284 D286 A294 | S267-A290 WeakPolarHBondContact O-CB 3.4Å; I269-A290 HydrophobicContact CG1-CB 4.31Å; M284-A290 HydrophobicContact CB-CB 4.05Å; M284-A290 HydrophobicContact CG-CB 3.74Å; D286-A290 PolarHBondContact O-N 2.97Å; A290-A294 VanDerWaalsContact O-CB 3.23Å; A290-A294 WeakPolarHBondContact O-CB 3.46Å; A290-A294 PolarHBondContact O-N 3.43Å |
| 291 | K | 91.6 | Very high | 90.5 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 33% | 0.326 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.9 | -32.3 | 177.8 | -177 | 168.3 | -168.7 | 167.5 | 0 | 113.9 | H264 M287 E288 M289 R295 | H264-K291 WeakPolarHBondContact NE2-CG 3.48Å; M287-K291 WeakPolarHBondContact O-CB 3.46Å; M287-K291 PolarHBondContact O-N 3.2Å; M287-K291 VanDerWaalsContact O-N 3.07Å; E288-K291 PolarHBondContact O-N 3.27Å; M289-K291 VanDerWaalsContact C-N 3.3Å; M289-K291 PolarHBondContact O-N 2.87Å; K291-R295 WeakPolarHBondContact O-CD 3.3Å; K291-R295 VanDerWaalsContact O-CG 3.27Å; K291-R295 WeakPolarHBondContact O-CG 3.48Å |
| 292 | Y | 90.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.1 | -51 | 172.9 | 165.2 | -114.5 | 0 | 0 | 0 | 110.9 | P73 R76 W77 E288 M289 A294 R295 L296 | P73-Y292 HydrophobicContact CG-CE1 4.06Å; R76-Y292 HydrophobicContact CG-CD2 4.25Å; R76-Y292 HydrophobicContact CG-CE1 4.4Å; R76-Y292 HydrophobicContact CG-CE2 3.73Å; W77-Y292 PolarHBondContact N-OH 3.15Å; E288-Y292 WeakPolarHBondContact O-CB 3.47Å; E288-Y292 PolarHBondContact O-N 2.68Å; M289-Y292 PolarHBondContact O-N 2.8Å; M289-Y292 VanDerWaalsContact O-N 3.15Å; Y292-A294 PolarHBondContact O-N 2.98Å; Y292-R295 WeakPolarHBondContact O-CB 3.45Å; Y292-R295 PolarHBondContact O-N 2.82Å; Y292-R295 VanDerWaalsContact O-N 3.14Å; Y292-L296 PolarHBondContact O-N 2.64Å |
| 293 | I | 91 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -42.2 | -175.9 | -66.1 | 166.8 | 0 | 0 | 0 | 111 | F222 I269 M284 M289 R295 L296 F297 | F222-I293 HydrophobicContact CB-CD1 3.77Å; F222-I293 HydrophobicContact CD1-CD1 3.89Å; F222-I293 HydrophobicContact CD1-CG1 4.25Å; F222-I293 HydrophobicContact CD2-CD1 4.13Å; F222-I293 HydrophobicContact CD2-CG1 4.24Å; F222-I293 HydrophobicContact CD2-CG2 4.05Å; F222-I293 HydrophobicContact CE1-CG1 4.46Å; F222-I293 HydrophobicContact CE2-CG1 4.46Å; F222-I293 HydrophobicContact CE2-CG2 4.36Å; F222-I293 HydrophobicContact CG-CD1 3.63Å; F222-I293 HydrophobicContact CG-CG1 4.13Å; I269-I293 HydrophobicContact CD1-CB 3.63Å; I269-I293 HydrophobicContact CD1-CG2 3.41Å; I269-I293 VanDerWaalsContact CD1-CG2 3.41Å; M284-I293 HydrophobicContact CE-CD1 3.57Å; M284-I293 HydrophobicContact SD-CD1 4.41Å; M289-I293 HydrophobicContact CE-CD1 4.04Å; M289-I293 HydrophobicContact CG-CD1 3.83Å; M289-I293 WeakPolarHBondContact O-CG1 3.23Å; M289-I293 PolarHBondContact O-N 2.83Å; M289-I293 HydrophobicContact SD-CD1 4.37Å; I293-R295 PolarHBondContact O-N 2.94Å; I293-L296 PolarHBondContact O-N 2.76Å; I293-L296 VanDerWaalsContact O-N 3.13Å; I293-F297 HydrophobicContact CG2-CD1 3.57Å; I293-F297 HydrophobicContact CG2-CE1 3.36Å; I293-F297 HydrophobicContact CG2-CG 4.38Å; I293-F297 HydrophobicContact CG2-CZ 4.02Å; I293-F297 WeakPolarHBondContact O-CB 3.22Å; I293-F297 WeakPolarHBondContact O-CD1 3.29Å; I293-F297 PolarHBondContact O-N 2.67Å |
| 294 | A | 92.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.033 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59 | -34 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I262 H264 I269 A290 Y292 T298 | I262-A294 HydrophobicContact CG2-CB 4.5Å; H264-A294 HydrophobicContact CB-CB 3.96Å; I269-A294 HydrophobicContact CB-CB 4.41Å; A290-A294 VanDerWaalsContact O-CB 3.23Å; A290-A294 WeakPolarHBondContact O-CB 3.46Å; A290-A294 PolarHBondContact O-N 3.43Å; Y292-A294 PolarHBondContact O-N 2.98Å; A294-T298 WeakPolarHBondContact O-CB 3.29Å; A294-T298 PolarHBondContact O-N 3.03Å; A294-T298 PolarHBondContact O-OG1 2.99Å |
| 295 | R | 91.6 | Very high | 90.2 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.8 | -44.5 | 173.3 | -74.1 | 174.9 | -179.1 | 172 | 5.9 | 112.3 | E79 K291 Y292 I293 F297 T298 A299 | E79-R295 VanDerWaalsContact CD-NH1 3.26Å; E79-R295 IonicContact OE1-CZ 2.7Å; E79-R295 IonicContact OE1-NH1 2.69Å; E79-R295 PolarHBondContact OE1-NH1 3.1Å; E79-R295 VanDerWaalsContact OE2-CD 3.31Å; E79-R295 WeakPolarHBondContact OE2-CD 3.43Å; E79-R295 IonicContact OE2-CZ 3.49Å; E79-R295 IonicContact OE2-NE 2.74Å; E79-R295 IonicContact OE2-NH1 2.73Å; E79-R295 PolarHBondContact OE2-NH1 3.16Å; K291-R295 WeakPolarHBondContact O-CD 3.3Å; K291-R295 VanDerWaalsContact O-CG 3.27Å; K291-R295 WeakPolarHBondContact O-CG 3.48Å; Y292-R295 WeakPolarHBondContact O-CB 3.45Å; Y292-R295 PolarHBondContact O-N 2.82Å; Y292-R295 VanDerWaalsContact O-N 3.14Å; I293-R295 PolarHBondContact O-N 2.94Å; R295-F297 VanDerWaalsContact C-N 3.3Å; R295-F297 PolarHBondContact O-N 2.79Å; R295-T298 PolarHBondContact O-N 3.23Å; R295-A299 WeakPolarHBondContact O-CB 3.44Å; R295-A299 PolarHBondContact O-N 3.3Å |
| 296 | L | 91.3 | Very high | 90.2 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 176 | -178.1 | 62.7 | 0 | 0 | 0 | 111 | W77 M102 F222 M236 Y292 I293 A299 R300 | W77-L296 HydrophobicContact CG-CD1 4.38Å; M102-L296 HydrophobicContact CE-CD1 3.59Å; F222-L296 HydrophobicContact CE2-CD2 4.1Å; F222-L296 HydrophobicContact CZ-CD2 3.71Å; M236-L296 HydrophobicContact CE-CG 4.33Å; M236-L296 HydrophobicContact SD-CD2 4.08Å; M236-L296 HydrophobicContact SD-CG 4.04Å; Y292-L296 PolarHBondContact O-N 2.64Å; I293-L296 PolarHBondContact O-N 2.76Å; I293-L296 VanDerWaalsContact O-N 3.13Å; L296-A299 PolarHBondContact O-N 3.41Å; L296-R300 PolarHBondContact O-N 3.3Å |
| 297 | F | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.1 | -81.7 | 45.6 | 0 | 0 | 0 | 111.8 | F222 I234 M236 V241 I262 I293 R295 A299 R300 H301 | F222-F297 HydrophobicContact CD2-CE1 4.13Å; F222-F297 AromaticContact CE2-CE1 3.99Å; F222-F297 HydrophobicContact CE2-CE1 3.99Å; I234-F297 HydrophobicContact CD1-CE2 3.6Å; I234-F297 HydrophobicContact CD1-CZ 3.99Å; I234-F297 HydrophobicContact CG1-CE2 3.89Å; I234-F297 HydrophobicContact CG1-CZ 3.99Å; M236-F297 HydrophobicContact CB-CE1 4.21Å; M236-F297 HydrophobicContact CB-CZ 4.14Å; M236-F297 HydrophobicContact CE-CB 4.18Å; M236-F297 HydrophobicContact CE-CD1 3.34Å; M236-F297 HydrophobicContact CE-CE1 3.77Å; M236-F297 HydrophobicContact CE-CG 3.78Å; M236-F297 HydrophobicContact CG-CE1 4.14Å; M236-F297 HydrophobicContact CG-CZ 4.48Å; M236-F297 HydrophobicContact SD-CD1 3.52Å; M236-F297 VanDerWaalsContact SD-CD1 3.52Å; M236-F297 HydrophobicContact SD-CE1 3.36Å; M236-F297 WeakPolarHBondContact SD-CE1 3.49Å; M236-F297 HydrophobicContact SD-CG 4.47Å; M236-F297 HydrophobicContact SD-CZ 4.23Å; V241-F297 HydrophobicContact CB-CE2 4.46Å; V241-F297 HydrophobicContact CG1-CD2 4.47Å; V241-F297 HydrophobicContact CG1-CE2 3.83Å; V241-F297 HydrophobicContact CG2-CD2 3.73Å; V241-F297 HydrophobicContact CG2-CE2 3.81Å; I262-F297 HydrophobicContact CD1-CB 3.85Å; I262-F297 HydrophobicContact CD1-CD2 4.43Å; I262-F297 HydrophobicContact CG2-CB 3.96Å; I293-F297 HydrophobicContact CG2-CD1 3.57Å; I293-F297 HydrophobicContact CG2-CE1 3.36Å; I293-F297 HydrophobicContact CG2-CG 4.38Å; I293-F297 HydrophobicContact CG2-CZ 4.02Å; I293-F297 WeakPolarHBondContact O-CB 3.22Å; I293-F297 WeakPolarHBondContact O-CD1 3.29Å; I293-F297 PolarHBondContact O-N 2.67Å; R295-F297 VanDerWaalsContact C-N 3.3Å; R295-F297 PolarHBondContact O-N 2.79Å; F297-A299 VanDerWaalsContact C-N 3.33Å; F297-A299 PolarHBondContact O-N 3.44Å; F297-R300 PolarHBondContact O-N 3.37Å; F297-H301 WeakPolarHBondContact O-CB 3.36Å; F297-H301 PolarHBondContact O-N 2.94Å |
| 298 | T | 92.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 112 | I262 A294 R295 H301 K302 | I262-T298 PolarHBondContact O-OG1 2.93Å; A294-T298 WeakPolarHBondContact O-CB 3.29Å; A294-T298 PolarHBondContact O-N 3.03Å; A294-T298 PolarHBondContact O-OG1 2.99Å; R295-T298 PolarHBondContact O-N 3.23Å; T298-H301 PolarHBondContact O-N 3.47Å; T298-K302 VanDerWaalsContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CB 3.33Å; T298-K302 PolarHBondContact O-N 3.33Å |
| 299 | A | 90.8 | Very high | 88.7 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R295 L296 F297 K302 F303 | R295-A299 WeakPolarHBondContact O-CB 3.44Å; R295-A299 PolarHBondContact O-N 3.3Å; L296-A299 PolarHBondContact O-N 3.41Å; F297-A299 VanDerWaalsContact C-N 3.33Å; F297-A299 PolarHBondContact O-N 3.44Å; A299-K302 PolarHBondContact O-N 2.9Å; A299-F303 WeakPolarHBondContact O-CB 3.37Å; A299-F303 PolarHBondContact O-N 2.83Å |
| 300 | R | 90.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 174 | -69.1 | -143.8 | 174.1 | 116.5 | -4.3 | 112 | M102 F103 E220 M236 W256 L296 F297 F303 Y304 | M102-R300 VanDerWaalsContact O-CZ 3.23Å; M102-R300 PolarHBondContact O-NE 3.21Å; M102-R300 PolarHBondContact O-NH2 3.18Å; F103-R300 HydrophobicContact CD1-CG 3.91Å; F103-R300 HydrophobicContact CE1-CB 4.45Å; F103-R300 HydrophobicContact CE1-CG 3.85Å; E220-R300 IonicContact OE2-CZ 2.67Å; E220-R300 IonicContact OE2-NH1 3.74Å; E220-R300 PolarHBondContact OE2-NH1 3.13Å; E220-R300 IonicContact OE2-NH2 3.5Å; E220-R300 PolarHBondContact OE2-NH2 2.9Å; M236-R300 HydrophobicContact CE-CB 3.65Å; M236-R300 HydrophobicContact CE-CG 3.64Å; M236-R300 PolarHBondContact SD-NH1 3.28Å; W256-R300 HydrophobicContact CH2-CB 4.29Å; W256-R300 HydrophobicContact CZ2-CB 4.19Å; L296-R300 PolarHBondContact O-N 3.3Å; F297-R300 PolarHBondContact O-N 3.37Å; R300-F303 PolarHBondContact O-N 2.94Å; R300-Y304 HydrophobicContact CB-CD2 4.12Å; R300-Y304 HydrophobicContact CB-CE2 3.86Å; R300-Y304 HydrophobicContact CG-CE2 4.37Å; R300-Y304 WeakPolarHBondContact O-CB 3.11Å; R300-Y304 WeakPolarHBondContact O-CD2 3.39Å; R300-Y304 PolarHBondContact O-N 3.2Å |
| 301 | H | 90.6 | Very high | 85.3 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.069 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 174.1 | -172.3 | -146.8 | 0 | 0 | 0 | 112.2 | W256 I259 G260 F297 T298 F303 K305 | W256-H301 HydrophobicContact CE3-CB 3.75Å; W256-H301 AromaticContact CE3-CD2 3.39Å; W256-H301 AromaticContact CE3-CG 3.83Å; W256-H301 HydrophobicContact CZ3-CB 3.66Å; W256-H301 PolarHBondContact O-NE2 3.09Å; I259-H301 PolarHBondContact O-CE1 2.76Å; I259-H301 PolarHBondContact O-NE2 3.06Å; G260-H301 PolarHBondContact O-CE1 3.03Å; F297-H301 WeakPolarHBondContact O-CB 3.36Å; F297-H301 PolarHBondContact O-N 2.94Å; T298-H301 PolarHBondContact O-N 3.47Å; H301-F303 PolarHBondContact O-N 3.24Å; H301-K305 WeakPolarHBondContact O-CB 3.41Å; H301-K305 PolarHBondContact O-N 3.08Å |
| 302 | K | 90.7 | Very high | 82.9 | Confident | 99 Ų | 99 | 52.6 Ų | 52.6 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -53.5 | -51.4 | 174.3 | 176.4 | -176 | 173.4 | -170 | 0 | 110.6 | E81 T298 A299 Q306 | E81-K302 IonicContact OE1-NZ 3.43Å; E81-K302 PolarHBondContact OE1-NZ 2.75Å; T298-K302 VanDerWaalsContact O-CB 3.29Å; T298-K302 WeakPolarHBondContact O-CB 3.33Å; T298-K302 PolarHBondContact O-N 3.33Å; A299-K302 PolarHBondContact O-N 2.9Å; K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 VanDerWaalsContact O-CG 3.24Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 3.34Å |
| 303 | F | 90.9 | Very high | 80.3 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -56.5 | 179.9 | -179.3 | -89.5 | 0 | 0 | 0 | 112.9 | H60 Y61 F103 A299 R300 H301 K305 Q306 N307 I309 | H60-F303 HydrophobicContact CB-CE2 4.23Å; H60-F303 AromaticContact CD2-CE2 3.84Å; H60-F303 WeakPolarHBondContact O-CE2 3.41Å; Y61-F303 HydrophobicContact CD1-CE1 4.42Å; Y61-F303 AromaticContact CD1-CZ 3.71Å; Y61-F303 HydrophobicContact CD1-CZ 3.71Å; Y61-F303 HydrophobicContact CE1-CE1 4.41Å; Y61-F303 AromaticContact CE1-CZ 3.81Å; Y61-F303 HydrophobicContact CE1-CZ 3.81Å; F103-F303 HydrophobicContact CB-CD1 3.65Å; F103-F303 HydrophobicContact CB-CD2 4.4Å; F103-F303 HydrophobicContact CB-CE1 3.35Å; F103-F303 HydrophobicContact CB-CE2 4.15Å; F103-F303 HydrophobicContact CB-CG 4.18Å; F103-F303 HydrophobicContact CB-CZ 3.63Å; F103-F303 HydrophobicContact CD1-CB 3.66Å; F103-F303 AromaticContact CD1-CD1 3.56Å; F103-F303 HydrophobicContact CD1-CD1 3.56Å; F103-F303 AromaticContact CD1-CD2 3.94Å; F103-F303 HydrophobicContact CD1-CD2 3.94Å; F103-F303 HydrophobicContact CD1-CE1 4.19Å; F103-F303 AromaticContact CD1-CG 3.43Å; F103-F303 HydrophobicContact CD1-CG 3.43Å; F103-F303 VanDerWaalsContact CD1-CG 3.43Å; F103-F303 AromaticContact CD2-CD2 3.97Å; F103-F303 HydrophobicContact CD2-CD2 3.97Å; F103-F303 AromaticContact CD2-CE2 3.98Å; F103-F303 HydrophobicContact CD2-CE2 3.98Å; F103-F303 HydrophobicContact CD2-CG 4.29Å; F103-F303 HydrophobicContact CD2-CZ 4.31Å; F103-F303 HydrophobicContact CE1-CB 3.6Å; F103-F303 HydrophobicContact CE1-CD1 4.37Å; F103-F303 HydrophobicContact CE1-CD2 4.16Å; F103-F303 AromaticContact CE1-CG 3.8Å; F103-F303 HydrophobicContact CE1-CG 3.8Å; F103-F303 HydrophobicContact CE2-CD2 4.19Å; F103-F303 HydrophobicContact CG-CB 4.42Å; F103-F303 AromaticContact CG-CD1 3.7Å; F103-F303 HydrophobicContact CG-CD1 3.7Å; F103-F303 AromaticContact CG-CD2 3.85Å; F103-F303 HydrophobicContact CG-CD2 3.85Å; F103-F303 AromaticContact CG-CE1 3.84Å; F103-F303 HydrophobicContact CG-CE1 3.84Å; F103-F303 AromaticContact CG-CE2 3.97Å; F103-F303 HydrophobicContact CG-CE2 3.97Å; F103-F303 AromaticContact CG-CG 3.72Å; F103-F303 HydrophobicContact CG-CG 3.72Å; F103-F303 AromaticContact CG-CZ 3.97Å; F103-F303 HydrophobicContact CG-CZ 3.97Å; F103-F303 HydrophobicContact CZ-CB 4.32Å; F103-F303 HydrophobicContact CZ-CD2 4.28Å; F103-F303 HydrophobicContact CZ-CG 4.38Å; A299-F303 WeakPolarHBondContact O-CB 3.37Å; A299-F303 PolarHBondContact O-N 2.83Å; R300-F303 PolarHBondContact O-N 2.94Å; H301-F303 PolarHBondContact O-N 3.24Å; F303-K305 VanDerWaalsContact C-N 3.28Å; F303-K305 PolarHBondContact O-N 2.91Å; F303-Q306 PolarHBondContact O-N 3.27Å; F303-N307 VanDerWaalsContact CD2-ND2 3.32Å; F303-N307 WeakPolarHBondContact CD2-ND2 3.36Å; F303-N307 WeakPolarHBondContact CE2-ND2 3.43Å; F303-N307 VanDerWaalsContact CZ-ND2 3.26Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.44Å; F303-N307 WeakPolarHBondContact O-CB 3.46Å; F303-N307 PolarHBondContact O-N 2.82Å; F303-N307 PolarHBondContact O-ND2 2.96Å; F303-I309 HydrophobicContact CD1-CD1 4.18Å; F303-I309 HydrophobicContact CE1-CD1 3.51Å; F303-I309 HydrophobicContact CZ-CD1 4.34Å |
| 304 | Y | 89.6 | Confident | 77.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -29.7 | -175 | -65.9 | -51.2 | 0 | 0 | 0 | 112.9 | F103 Y104 S237 F238 W256 R300 K308 I309 | F103-Y304 HydrophobicContact CB-CE1 4.41Å; Y104-Y304 PolarHBondContact N-OH 3.31Å; Y104-Y304 WeakPolarHBondContact O-CE1 3.45Å; S237-Y304 WeakPolarHBondContact O-CE2 3.26Å; F238-Y304 HydrophobicContact CB-CD1 4.41Å; F238-Y304 HydrophobicContact CB-CE1 3.81Å; W256-Y304 AromaticContact CD1-CD2 3.87Å; W256-Y304 HydrophobicContact CD2-CD2 4.42Å; W256-Y304 AromaticContact CE2-CD2 3.66Å; W256-Y304 HydrophobicContact CZ2-CD2 4.05Å; W256-Y304 HydrophobicContact CZ2-CE2 4.22Å; W256-Y304 AromaticContact NE1-CD2 3.27Å; W256-Y304 VanDerWaalsContact NE1-CD2 3.27Å; W256-Y304 AromaticContact NE1-CE2 3.78Å; R300-Y304 HydrophobicContact CB-CD2 4.12Å; R300-Y304 HydrophobicContact CB-CE2 3.86Å; R300-Y304 HydrophobicContact CG-CE2 4.37Å; R300-Y304 WeakPolarHBondContact O-CB 3.11Å; R300-Y304 WeakPolarHBondContact O-CD2 3.39Å; R300-Y304 PolarHBondContact O-N 3.2Å; Y304-K308 PolarHBondContact O-N 2.73Å; Y304-I309 HydrophobicContact CD1-CB 3.91Å; Y304-I309 HydrophobicContact CD1-CD1 3.68Å; Y304-I309 HydrophobicContact CD1-CG1 4.38Å; Y304-I309 HydrophobicContact CD1-CG2 3.68Å; Y304-I309 HydrophobicContact CE1-CD1 4.13Å; Y304-I309 HydrophobicContact CE1-CG2 4.25Å; Y304-I309 PolarHBondContact O-N 3.04Å |
| 305 | K | 85.7 | Confident | 74.8 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.5 | -39.8 | 173.6 | -172.3 | 171.4 | -176.3 | 170.1 | 0 | 112.5 | H301 F303 | H301-K305 WeakPolarHBondContact O-CB 3.41Å; H301-K305 PolarHBondContact O-N 3.08Å; F303-K305 VanDerWaalsContact C-N 3.28Å; F303-K305 PolarHBondContact O-N 2.91Å |
| 306 | Q | 86.1 | Confident | 71.7 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 60% | 0.603 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.8 | -47.2 | 176.5 | -75.7 | 176.8 | -37.6 | 0 | 0 | 111.9 | K302 F303 K308 | K302-Q306 WeakPolarHBondContact O-CB 3.38Å; K302-Q306 VanDerWaalsContact O-CG 3.24Å; K302-Q306 WeakPolarHBondContact O-CG 3.42Å; K302-Q306 PolarHBondContact O-N 3.34Å; F303-Q306 PolarHBondContact O-N 3.27Å; Q306-K308 PolarHBondContact O-N 3.37Å |
| 307 | N | 82.7 | Confident | 68.9 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 35% | 0.353 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 10.6 | -175 | -67.3 | -38.8 | 0 | 0 | 0 | 114.7 | R110 F303 I309 | R110-N307 PolarHBondContact NH1-O 2.65Å; F303-N307 VanDerWaalsContact CD2-ND2 3.32Å; F303-N307 WeakPolarHBondContact CD2-ND2 3.36Å; F303-N307 WeakPolarHBondContact CE2-ND2 3.43Å; F303-N307 VanDerWaalsContact CZ-ND2 3.26Å; F303-N307 WeakPolarHBondContact CZ-ND2 3.44Å; F303-N307 WeakPolarHBondContact O-CB 3.46Å; F303-N307 PolarHBondContact O-N 2.82Å; F303-N307 PolarHBondContact O-ND2 2.96Å; N307-I309 HydrophobicContact CB-CD1 3.84Å; N307-I309 HydrophobicContact CB-CG1 4.1Å; N307-I309 PolarHBondContact O-N 2.86Å; N307-I309 VanDerWaalsContact O-N 3.1Å |
| 308 | K | 78.9 | Confident | 65.8 | Low | 146 Ų | 146 | 81.3 Ų | 81.3 | 64% | 0.635 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.7 | 177.6 | -62.5 | 177.9 | -175.1 | 171.8 | 0 | 112.2 | R110 Y304 Q306 T311 | R110-K308 PolarHBondContact NH1-O 2.83Å; R110-K308 PolarHBondContact NH2-O 3.47Å; Y304-K308 PolarHBondContact O-N 2.73Å; Q306-K308 PolarHBondContact O-N 3.37Å; K308-T311 WeakPolarHBondContact CB-OG1 3.46Å; K308-T311 PolarHBondContact O-OG1 2.83Å |
| 309 | I | 74.6 | Confident | 63 | Low | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.051 | 47% | 0.467 | C | S | . | . | trans | -78.2 | -34 | -178 | -77.9 | 166.6 | 0 | 0 | 0 | 110.6 | P106 F238 F303 Y304 N307 | P106-I309 HydrophobicContact CG-CG2 4.04Å; F238-I309 HydrophobicContact CB-CG2 4.25Å; F303-I309 HydrophobicContact CD1-CD1 4.18Å; F303-I309 HydrophobicContact CE1-CD1 3.51Å; F303-I309 HydrophobicContact CZ-CD1 4.34Å; Y304-I309 HydrophobicContact CD1-CB 3.91Å; Y304-I309 HydrophobicContact CD1-CD1 3.68Å; Y304-I309 HydrophobicContact CD1-CG1 4.38Å; Y304-I309 HydrophobicContact CD1-CG2 3.68Å; Y304-I309 HydrophobicContact CE1-CD1 4.13Å; Y304-I309 HydrophobicContact CE1-CG2 4.25Å; Y304-I309 PolarHBondContact O-N 3.04Å; N307-I309 HydrophobicContact CB-CD1 3.84Å; N307-I309 HydrophobicContact CB-CG1 4.1Å; N307-I309 PolarHBondContact O-N 2.86Å; N307-I309 VanDerWaalsContact O-N 3.1Å | ||
| 310 | C | 56.4 | Low | 60.2 | Low | 35 Ų | 35 | 90 Ų | 90 | 24% | 0.236 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -96.3 | 4.5 | -177 | -41.4 | 0 | 0 | 0 | 0 | 114.3 | F238 W256 | F238-C310 PolarHBondContact O-SG 3.46Å; W256-C310 HydrophobicContact CB-CB 4.37Å |
| 311 | T | 50.5 | Low | 57.2 | Low | 88 Ų | 88 | 101 Ų | 101 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | trans | -89.1 | 101.6 | 169.1 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | K308 | K308-T311 WeakPolarHBondContact CB-OG1 3.46Å; K308-T311 PolarHBondContact O-OG1 2.83Å | ||
| 312 | E | 42 | Very low | 54.4 | Low | 141 Ų | 141 | 110.9 Ų | 110.9 | 66% | 0.659 | 57% | 0.571 | S | S | * | * | trans | -55.5 | 138 | 162.1 | -69.6 | 166.2 | -145.4 | 0 | 0 | 108.8 | K255 T314 | K255-E312 IonicContact NZ-OE1 3.33Å; K255-E312 PolarHBondContact NZ-OE1 3.47Å; K255-E312 VanDerWaalsContact NZ-OE1 3.1Å; E312-T314 PolarHBondContact O-N 3.02Å | ||
| 313 | P | 35.3 | Very low | 51.3 | Low | 106 Ų | 106 | 117.5 Ų | 117.5 | 69% | 0.688 | 59% | 0.593 | S | S | * | * | trans | -69.2 | 119.7 | 167.5 | 29.5 | -31.9 | 0 | 0 | 0 | 108.2 | H315 | P313-H315 PolarHBondContact O-N 2.87Š| ||
| 314 | T | 32.1 | Very low | 48.6 | Very low | 125 Ų | 125 | 122 Ų | 122 | 77% | 0.767 | 62% | 0.624 | S | S | * | * | trans | -72.6 | 67.6 | -179 | -42.8 | 0 | 0 | 0 | 0 | 111.8 | E312 S316 | E312-T314 PolarHBondContact O-N 3.02Å; T314-S316 VanDerWaalsContact C-N 3.31Å; T314-S316 PolarHBondContact O-N 3.29Å | ||
| 315 | H | 35.9 | Very low | 45.6 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 85% | 0.847 | 67% | 0.666 | S | S | * | * | trans | -96.2 | 47.3 | 173.3 | -79.4 | -57.9 | 0 | 0 | 0 | 112.5 | P313 | P313-H315 PolarHBondContact O-N 2.87Š| ||
| 316 | S | 26.4 | Very low | 42.8 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -110.1 | 121.6 | 140.5 | 52.4 | 0 | 0 | 0 | 0 | 107.4 | T314 A318 | T314-S316 VanDerWaalsContact C-N 3.31Å; T314-S316 PolarHBondContact O-N 3.29Å; S316-A318 PolarHBondContact O-N 2.91Å |
| 317 | P | 31.9 | Very low | 40 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | trans | -70 | 107 | -179.3 | 27.4 | -32.8 | 0 | 0 | 0 | 109.3 | ||||
| 318 | A | 28.6 | Very low | 37.4 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | -57.8 | 124 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S316 I320 | S316-A318 PolarHBondContact O-N 2.91Å; A318-I320 PolarHBondContact O-N 2.82Å | ||
| 319 | P | 33.8 | Very low | 35 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -64.4 | 135.7 | -171.7 | 24.2 | -33.7 | 0 | 0 | 0 | 111.1 | R321 | P319-R321 VanDerWaalsContact C-N 3.33Å; P319-R321 PolarHBondContact O-N 2.75Å | ||
| 320 | I | 30.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 82% | 0.821 | 74% | 0.735 | S | S | * | * | trans | -69.1 | 85.8 | -174.5 | -55.8 | 176 | 0 | 0 | 0 | 110.3 | A318 R322 | A318-I320 PolarHBondContact O-N 2.82Å; I320-R322 PolarHBondContact O-N 3.21Å | ||
| 321 | R | 28.3 | Very low | 31.3 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -85.4 | 91.7 | 175 | -164.3 | 173.9 | -168.8 | 173.4 | 5.2 | 110.9 | P319 | P319-R321 VanDerWaalsContact C-N 3.33Å; P319-R321 PolarHBondContact O-N 2.75Å | ||
| 322 | R | 31.2 | Very low | 30.2 | Very low | 222 Ų | 222 | 150.7 Ų | 150.7 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -58.7 | 142.3 | 164.7 | -64.5 | -179 | 179.2 | 173.8 | -0.2 | 110.1 | I320 | I320-R322 PolarHBondContact O-N 3.21Š| ||
| 323 | R | 25.1 | Very low | 30.1 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -76.7 | 167.3 | 160 | -64.3 | -174.3 | 177.8 | -171 | 0.9 | 109.2 | ||||
| 324 | P | 35.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 154.9 Ų | 154.9 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | -137.3 | 150.8 | -54 | 37.8 | -23.1 | 0 | 0 | 0 | 112.7 | |||||
| 325 | T | 25.8 | Very low | 29.9 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -150.6 | 152.2 | 157.2 | -4.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | W | 26.3 | Very low | 29.3 | Very low | 232 Ų | 232 | 153.2 Ų | 153.2 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -57.5 | 165.8 | 164.7 | -76.6 | 8.6 | 0 | 0 | 0 | 111.9 | ||||
| 327 | T | 28.4 | Very low | 29.2 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | cis | -148 | 153.7 | 29.4 | 32.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 328 | H | 27.3 | Very low | 28.7 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | 46 | 121.5 | 141.2 | -73.4 | -61.7 | 0 | 0 | 0 | 125.5 | ||||
| 329 | R | 28.3 | Very low | 28.5 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | 101.6 | 137.9 | 116.6 | -102.4 | -173.8 | -89.8 | -122.8 | -2.7 | 122.5 | |||||
| 330 | L | 27.8 | Very low | 28.2 | Very low | 151 Ų | 151 | 160.6 Ų | 160.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 72 | 153.5 | 152.7 | -59.1 | 165.1 | 0 | 0 | 0 | 119.1 | ||||
| 331 | S | 25.6 | Very low | 27.8 | Very low | 84 Ų | 84 | 161.4 Ų | 161.4 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | -177.2 | 121 | -64 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 332 | L | 27.6 | Very low | 27.7 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 58.7 | 177.2 | 155.9 | -84.1 | 81.8 | 0 | 0 | 0 | 117 | ||||
| 333 | P | 39.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -127.8 | 176.6 | -20.2 | 23.9 | -1.1 | 0 | 0 | 0 | 115.7 | ||||
| 334 | R | 25.9 | Very low | 27.5 | Very low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -39.7 | 169 | 147.4 | -97.5 | 179.5 | 179 | 178.3 | -1.4 | 115.2 | ||||
| 335 | P | 37.4 | Very low | 27 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | cis | -147.8 | -164.4 | 43.8 | 42.9 | -20.7 | 0 | 0 | 0 | 118.5 | ||||
| 336 | Q | 25 | Very low | 27 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 165.2 | -174.2 | -49.8 | 126.7 | -86.6 | 0 | 0 | 114 | ||||
| 337 | S | 24.2 | Very low | 26.9 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | -179.4 | 145.7 | 116.1 | 38.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 338 | C | 21.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 41.1 | 128.9 | 144.5 | -55.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 339 | N | 23.9 | Very low | 26.7 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | 45.4 | 129 | 133.7 | -56.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 340 | F | 26.9 | Very low | 26.7 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | -157.4 | 179.1 | 108.1 | -114.7 | -75.4 | 0 | 0 | 0 | 111.6 | |||||
| 341 | Q | 22.8 | Very low | 26.7 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -107.5 | 170.5 | -164.9 | -70.3 | 176.2 | -72.1 | 0 | 0 | 114.9 | ||||
| 342 | S | 26.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -53.9 | 157.1 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 343 | V | 25.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | trans | -140.4 | 165.7 | 142.8 | -139.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | H | 26.2 | Very low | 26.2 | Very low | 166 Ų | 166 | 149 Ų | 149 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -59.2 | 163.2 | 176 | -74.3 | -12.8 | 0 | 0 | 0 | 114.4 | ||||
| 345 | E | 24.4 | Very low | 26.1 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | cis | 116.2 | 161.6 | 21.3 | -152 | -165.1 | -129.5 | 0 | 0 | 110.3 | ||||
| 346 | H | 25.9 | Very low | 25.6 | Very low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | trans | 82 | 100.9 | 168.1 | -88.6 | 74.2 | 0 | 0 | 0 | 122.2 | ||||
| 347 | Y | 25.6 | Very low | 25.9 | Very low | 186 Ų | 186 | 142 Ų | 142 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | 55 | 137.7 | 122 | -81.4 | -86.8 | 0 | 0 | 0 | 125.3 | |||||
| 348 | Q | 25.8 | Very low | 26.1 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 69 | 151 | 145.5 | -86.8 | 167.1 | -29.8 | 0 | 0 | 119.8 | ||||
| 349 | D | 25.1 | Very low | 26.4 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | cis | -151.4 | -171.9 | -11.5 | -146.8 | -36.7 | 0 | 0 | 0 | 110.3 | ||||
| 350 | M | 27.8 | Very low | 26.7 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | trans | -62.4 | 150.9 | 177.8 | -61.9 | -172.6 | 69.6 | 0 | 0 | 115.3 | ||||
| 351 | Q | 27.2 | Very low | 26.8 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | 179.1 | 153.2 | 107.3 | -95.9 | 175.7 | 26.5 | 0 | 0 | 116.9 | |||||
| 352 | S | 26.2 | Very low | 27 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 50.4 | 101.1 | 145.5 | 68.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 353 | S | 29.2 | Very low | 27.1 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | 59.9 | 130 | 116.7 | 66.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 354 | Q | 27.1 | Very low | 27.2 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | 86 | 127.6 | 137.9 | -80.4 | -174.3 | -95.4 | 0 | 0 | 122.5 | ||||
| 355 | D | 24.5 | Very low | 27.3 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | trans | 66.1 | 141.1 | 142.3 | -70.8 | -54.1 | 0 | 0 | 0 | 120.9 | ||||
| 356 | S | 27 | Very low | 27.5 | Very low | 85 Ų | 85 | 145.9 Ų | 145.9 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | cis | -173.2 | 163.2 | -19.4 | -118.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | I | 31.3 | Very low | 27.6 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | 71.6 | 132.3 | 157.7 | -66.1 | 158.1 | 0 | 0 | 0 | 115.2 | ||||
| 358 | F | 27.6 | Very low | 27.8 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | -151.5 | 149 | 53.7 | -91.8 | -65.8 | 0 | 0 | 0 | 116.3 | |||||
| 359 | H | 28.1 | Very low | 27.8 | Very low | 150 Ų | 150 | 142 Ų | 142 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | trans | 54 | 141.8 | 147 | -76.5 | -56.8 | 0 | 0 | 0 | 122.4 | ||||
| 360 | E | 29.1 | Very low | 27.9 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -165.8 | 158.2 | 9.9 | -153.3 | 161.5 | -85.5 | 0 | 0 | 111.1 | ||||
| 361 | D | 29 | Very low | 27.8 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | cis | -130.5 | -78.1 | -32.8 | 165.8 | 69.9 | 0 | 0 | 0 | 110.6 | Y363 | D361-Y363 PolarHBondContact OD2-N 2.94Š| ||
| 362 | L | 28.7 | Very low | 27.7 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | cis | -149.7 | 90 | -5.6 | -126.5 | -177 | 0 | 0 | 0 | 112.4 | ||||
| 363 | Y | 27.7 | Very low | 27.7 | Very low | 206 Ų | 206 | 141 Ų | 141 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | trans | 61.7 | 158.9 | 173.3 | -89.9 | -109.7 | 0 | 0 | 0 | 120.3 | D361 | D361-Y363 PolarHBondContact OD2-N 2.94Š| ||
| 364 | Y | 27.9 | Very low | 27.5 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | -164.2 | 138 | -56.3 | -156.1 | -133.1 | 0 | 0 | 0 | 112 | |||||
| 365 | K | 27.3 | Very low | 27.5 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 65.7 | 154.7 | 164.4 | -76.7 | 179.3 | 170.4 | 177.6 | 0 | 121.2 | ||||
| 366 | S | 28.8 | Very low | 27.6 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | cis | -179.2 | 169.1 | -31.1 | -99 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 367 | E | 27.8 | Very low | 27.5 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 80.5 | 119 | 156.1 | -45.6 | -141.7 | 135.5 | 0 | 0 | 120 | ||||
| 368 | T | 29.8 | Very low | 27.3 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 84.4 | 153 | 101.5 | 59.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 369 | S | 26.6 | Very low | 27.2 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | cis | -163.3 | -152 | -14.9 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 370 | L | 26.7 | Very low | 27.6 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | -102.8 | 170.7 | -165.8 | -77.2 | 166.5 | 0 | 0 | 0 | 115.8 | ||||
| 371 | D | 26.3 | Very low | 27.4 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | trans | 86.3 | 118 | 147.8 | -77.8 | -10.1 | 0 | 0 | 0 | 124.1 | ||||
| 372 | L | 25.9 | Very low | 27.3 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 39.4 | 117.2 | 125.5 | -62.2 | 166.4 | 0 | 0 | 0 | 118.4 | |||||
| 373 | T | 25.4 | Very low | 27.2 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | 178.7 | 158.9 | 77.8 | 33 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 374 | F | 25.3 | Very low | 27.2 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | 54.2 | 118.1 | 145 | -88.4 | -66.8 | 0 | 0 | 0 | 123.4 | ||||
| 375 | R | 27.1 | Very low | 27.2 | Very low | 231 Ų | 231 | 139.4 Ų | 139.4 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | 135 | 137.9 | 103.4 | -159.8 | 162.2 | -174.2 | -117.2 | 5.8 | 117.3 | |||||
| 376 | N | 26 | Very low | 27.4 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -40.9 | 144.5 | 171 | -58.7 | -0.1 | 0 | 0 | 0 | 117.7 | ||||
| 377 | G | 24.4 | Very low | 27.3 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 76.3 | 161.5 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 378 | T | 27.2 | Very low | 27.6 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | cis | -153.4 | 160.8 | 9.6 | -46.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 379 | V | 26.2 | Very low | 27.5 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -59.7 | 171.5 | 161.1 | -97.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 380 | P | 35.9 | Very low | 27.6 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | cis | -129.1 | -169.2 | -5.8 | 29.4 | -6.6 | 0 | 0 | 0 | 113.7 | ||||
| 381 | N | 25.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 91% | 0.914 | 77% | 0.768 | S | S | * | * | trans | -120.9 | 149.8 | 176.7 | -166.6 | 1.4 | 0 | 0 | 0 | 112.6 | ||||
| 382 | G | 26.9 | Very low | 27.8 | Very low | 64 Ų | 64 | 132 Ų | 132 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 164.1 | 161.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 383 | S | 26.7 | Very low | 27.9 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | cis | -167 | 139.4 | -2.6 | -163.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 384 | M | 26.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 64% | 0.64 | 77% | 0.774 | S | S | * | * | trans | 74.8 | 151.9 | 156.7 | -70.9 | -70.7 | 179.9 | 0 | 0 | 122.4 | ||||
| 385 | Y | 29 | Very low | 28.1 | Very low | 218 Ų | 218 | 133.6 Ų | 133.6 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 67.8 | 134.6 | 173.4 | -63 | -76.5 | 0 | 0 | 0 | 116.6 | ||||
| 386 | S | 32.1 | Very low | 28 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -143 | 158.6 | 4.9 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 387 | S | 26.6 | Very low | 28 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -68.5 | 166.4 | 170.7 | -45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 388 | P | 32.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | cis | -62.2 | 158.7 | 13 | 23.2 | -35.3 | 0 | 0 | 0 | 115.6 | ||||
| 389 | S | 29.4 | Very low | 27.8 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | S | Bend | cis | -165.1 | 172.9 | -5.1 | 51 | 0 | 0 | 0 | 0 | 109 | ||
| 390 | L | 27.2 | Very low | 27.9 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | cis | -107.1 | -95.1 | -5.7 | -75.7 | 165 | 0 | 0 | 0 | 110.3 | ||||
| 391 | S | 31.1 | Very low | 28.1 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -128.7 | 137.7 | -172.6 | 55 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 392 | S | 27.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | cis | 179 | 120.5 | -28.3 | 37 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 393 | L | 28 | Very low | 28.6 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | 67.1 | 160.1 | 163 | -50.1 | 171.8 | 0 | 0 | 0 | 115.1 | ||||
| 394 | N | 29.3 | Very low | 29.5 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | cis | -147.3 | -172.1 | -3.9 | -138.5 | -24.4 | 0 | 0 | 0 | 113.9 | ||||
| 395 | R | 25.3 | Very low | 29.6 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -86.5 | 146.6 | -164.6 | -124.5 | -173.4 | -167.9 | 176 | 3.1 | 117.3 | ||||
| 396 | S | 24.6 | Very low | 29.6 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | 32.9 | 132.2 | 134.7 | 66.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 397 | Q | 25.4 | Very low | 29.4 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 72.2 | 154.3 | 136.7 | -75 | -174.5 | -11.2 | 0 | 0 | 122.5 | ||||
| 398 | T | 23.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | trans | 80.9 | 128 | 153 | 20.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 399 | F | 24.3 | Very low | 29.3 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 55.6 | 119.3 | 167.1 | -65.2 | -88.2 | 0 | 0 | 0 | 117.8 | ||||
| 400 | I | 27.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | 65.7 | 129.8 | 68.6 | -65.9 | 173.6 | 0 | 0 | 0 | 112.5 | |||||
| 401 | P | 41.4 | Very low | 29.4 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | cis | -123.4 | -135.9 | -24.4 | 38.7 | -17.7 | 0 | 0 | 0 | 108.6 | ||||
| 402 | P | 32.2 | Very low | 29.5 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -125.4 | -163.5 | -28.7 | 38.7 | -19 | 0 | 0 | 0 | 114.2 | ||||
| 403 | S | 30.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -66.8 | -179.6 | 177.6 | -40.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 404 | P | 46.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | cis | -147 | -155.9 | 17.2 | 46.3 | -23.8 | 0 | 0 | 0 | 118.1 | ||||
| 405 | M | 26.9 | Very low | 29.3 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -33.3 | 166.1 | 170.4 | -54.5 | 131.4 | 55.8 | 0 | 0 | 117.5 | ||||
| 406 | S | 30.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -170.4 | 166.2 | 39 | 60 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 407 | S | 27.7 | Very low | 30 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | 54.2 | 106.1 | 138.8 | 63.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 408 | N | 26.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | 46.6 | 124.7 | 117.6 | -70.6 | -17.2 | 0 | 0 | 0 | 125.5 | |||||
| 409 | L | 30.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 62.7 | 129.8 | 127 | -65.4 | 169.3 | 0 | 0 | 0 | 123.3 | |||||
| 410 | S | 28.3 | Very low | 30.2 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -173.2 | 134 | 147.7 | -85.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 411 | I | 30.1 | Very low | 30.2 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 67 | 143.3 | 134.6 | -63.3 | 169.8 | 0 | 0 | 0 | 119.6 | ||||
| 412 | P | 34.2 | Very low | 29.7 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -137 | -154.8 | -34.3 | 40 | -17.5 | 0 | 0 | 0 | 112.8 | ||||
| 413 | G | 25.6 | Very low | 29.6 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | -90.1 | -167.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 414 | S | 28.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -174.5 | 149.3 | 7.2 | 51.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 415 | E | 26.9 | Very low | 29 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -166.1 | 175.3 | 147.2 | -121.8 | 173.4 | 179.7 | 0 | 0 | 114.3 | ||||
| 416 | L | 33.3 | Very low | 29.2 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 137.4 | -170.4 | -79.5 | 159.1 | 0 | 0 | 0 | 112.6 | ||||
| 417 | M | 30.4 | Very low | 29.7 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -170.1 | 162.2 | 132 | -94 | -42.5 | 153.2 | 0 | 0 | 111.2 | ||||
| 418 | R | 27.9 | Very low | 29.8 | Very low | 237 Ų | 237 | 154.9 Ų | 154.9 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -95.8 | 160.7 | 171.5 | -81.6 | -179.8 | 166.5 | 154.7 | -4.7 | 109.4 | ||||
| 419 | Q | 23.9 | Very low | 30 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | -160.2 | 163.6 | 56.8 | -124.6 | 169.8 | -73 | 0 | 0 | 114 | |||||
| 420 | D | 25.9 | Very low | 30.1 | Very low | 136 Ų | 136 | 153.1 Ų | 153.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 55.1 | 71.1 | 152.9 | -53.3 | -26.1 | 0 | 0 | 0 | 119.9 | ||||
| 421 | Y | 27.5 | Very low | 30.3 | Very low | 202 Ų | 202 | 155.4 Ų | 155.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -146.8 | 111.4 | 158.1 | -161 | -123.7 | 0 | 0 | 0 | 112 | P423 | Y421-P423 HydrophobicContact CD1-CG 3.58Å; Y421-P423 HydrophobicContact CD2-CG 4.41Å; Y421-P423 HydrophobicContact CE1-CG 3.18Å; Y421-P423 HydrophobicContact CE2-CG 4.07Å; Y421-P423 HydrophobicContact CG-CG 4.19Å; Y421-P423 VanDerWaalsContact CZ-CG 3.45Å | ||
| 422 | I | 30.2 | Very low | 30.5 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -129.7 | 93.9 | 167 | -57.7 | -178.4 | 0 | 0 | 0 | 109.3 | N424 | I422-N424 PolarHBondContact O-N 3.17Š| ||
| 423 | P | 30.3 | Very low | 30.4 | Very low | 76 Ų | 76 | 151.8 Ų | 151.8 | 49% | 0.494 | 80% | 0.796 | S | S | . | * | trans | -79.6 | 107.3 | 169.7 | -9.5 | 27.9 | 0 | 0 | 0 | 109.1 | Y421 H425 | Y421-P423 HydrophobicContact CD1-CG 3.58Å; Y421-P423 HydrophobicContact CD2-CG 4.41Å; Y421-P423 HydrophobicContact CE1-CG 3.18Å; Y421-P423 HydrophobicContact CE2-CG 4.07Å; Y421-P423 HydrophobicContact CG-CG 4.19Å; Y421-P423 VanDerWaalsContact CZ-CG 3.45Å; P423-H425 PolarHBondContact O-N 2.77Å | ||
| 424 | N | 30.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -80.9 | 66 | 178.8 | -162.4 | 14.2 | 0 | 0 | 0 | 111.8 | I422 | I422-N424 PolarHBondContact O-N 3.17Š|
| 425 | H | 35.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 158.8 Ų | 158.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | 171.2 | 106.9 | 151.7 | -86.2 | -34.6 | 0 | 0 | 0 | 111.5 | P423 | P423-H425 PolarHBondContact O-N 2.77Š| ||
| 426 | R | 30.3 | Very low | 31.3 | Very low | 242 Ų | 242 | 160 Ų | 160 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -146.5 | 148 | 144.6 | -84 | -153.3 | 168.7 | -171.3 | -3.8 | 110.8 | ||||
| 427 | H | 41.4 | Very low | 31.7 | Very low | 197 Ų | 197 | 158.1 Ų | 158.1 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -81.5 | 125.1 | 173.6 | -56.6 | -99 | 0 | 0 | 0 | 110 | ||||
| 428 | S | 28.9 | Very low | 32.2 | Very low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -163.6 | 70.7 | 162 | 57.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 429 | A | 31.7 | Very low | 33 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -66.7 | 148.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I431 | A429-I431 PolarHBondContact O-N 3.3Š| ||
| 430 | I | 31.2 | Very low | 34 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -68 | 122.5 | -175.5 | -63 | 168.8 | 0 | 0 | 0 | 109.6 | A432 | I430-A432 PolarHBondContact O-N 3.09Š| ||
| 431 | I | 32.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -70.1 | 109.2 | 171.4 | -63.2 | 173.6 | 0 | 0 | 0 | 107.9 | A429 | A429-I431 PolarHBondContact O-N 3.3Š| ||
| 432 | A | 34.2 | Very low | 36.4 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I430 S434 | I430-A432 PolarHBondContact O-N 3.09Å; A432-S434 PolarHBondContact O-N 2.96Å |
| 433 | P | 33.3 | Very low | 37.8 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.1 | 179.6 | 24.3 | -34 | 0 | 0 | 0 | 110.1 | Y435 | P433-Y435 PolarHBondContact O-N 3.41Š|
| 434 | S | 30.6 | Very low | 39 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.9 | -173.9 | -45.7 | 0 | 0 | 0 | 0 | 111.1 | A432 R436 | A432-S434 PolarHBondContact O-N 2.96Å; S434-R436 PolarHBondContact O-N 3.21Å |
| 435 | Y | 33.4 | Very low | 40.3 | Very low | 222 Ų | 222 | 133.9 Ų | 133.9 | 87% | 0.871 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123.7 | 168.6 | -140.6 | -92.1 | 0 | 0 | 0 | 107.6 | P433 | P433-Y435 PolarHBondContact O-N 3.41Š|
| 436 | R | 35.8 | Very low | 41 | Very low | 226 Ų | 226 | 132.4 Ų | 132.4 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.6 | 172.8 | -83.9 | -166.5 | 176.1 | -158.1 | 0.6 | 108 | S434 T438 | S434-R436 PolarHBondContact O-N 3.21Å; R436-T438 PolarHBondContact O-N 3.08Å |
| 437 | P | 40.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.6 | 168.5 | -24.7 | 34.4 | 0 | 0 | 0 | 110.2 | ||
| 438 | T | 41.8 | Very low | 41.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58 | 131.2 | 163.3 | -47.6 | 0 | 0 | 0 | 0 | 107.4 | R436 E440 | R436-T438 PolarHBondContact O-N 3.08Å; T438-E440 PolarHBondContact O-N 2.78Å |
| 439 | P | 44.3 | Very low | 42.4 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 53% | 0.532 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -61 | 137 | -179.7 | 24.8 | -34 | 0 | 0 | 0 | 110.5 | A443 V444 | P439-A443 HydrophobicContact CB-CB 4.43Å; P439-V444 HydrophobicContact CB-CG2 4.1Å; P439-V444 HydrophobicContact CG-CG2 3.8Å |
| 440 | E | 44.4 | Very low | 42.6 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56 | 151.2 | -180 | -66 | 171.9 | 145.2 | 0 | 0 | 111.8 | T438 E442 A443 V444 | T438-E440 PolarHBondContact O-N 2.78Å; E440-E442 PolarHBondContact O-N 2.88Å; E440-A443 WeakPolarHBondContact O-CA 3.5Å; E440-A443 WeakPolarHBondContact O-CB 3.47Å; E440-A443 PolarHBondContact O-N 2.82Å; E440-V444 PolarHBondContact O-N 2.59Å |
| 441 | Y | 52.3 | Low | 42.8 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 69% | 0.686 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -51.9 | -42.5 | -178.5 | 176.8 | -103.2 | 0 | 0 | 0 | 112.4 | A443 V444 M445 | Y441-A443 PolarHBondContact O-N 3.3Å; Y441-V444 PolarHBondContact O-N 3.48Å; Y441-M445 HydrophobicContact CD1-CG 4.28Å; Y441-M445 HydrophobicContact CD2-CG 4.3Å; Y441-M445 HydrophobicContact CE1-CG 3.97Å; Y441-M445 HydrophobicContact CE2-CG 3.98Å; Y441-M445 HydrophobicContact CE2-SD 4.38Å; Y441-M445 HydrophobicContact CG-CG 4.44Å; Y441-M445 WeakPolarHBondContact O-CB 3.34Å; Y441-M445 VanDerWaalsContact O-CG 3.23Å; Y441-M445 WeakPolarHBondContact O-CG 3.15Å; Y441-M445 PolarHBondContact O-N 2.82Å |
| 442 | E | 51.7 | Low | 42.7 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 51% | 0.505 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -62.1 | -40.1 | 174.7 | -71.4 | -147.7 | 105.8 | 0 | 0 | 113.6 | E440 M445 R446 | E440-E442 PolarHBondContact O-N 2.88Å; E442-M445 PolarHBondContact O-N 2.81Å; E442-R446 VanDerWaalsContact O-CB 3.32Å; E442-R446 WeakPolarHBondContact O-CB 3.42Å; E442-R446 WeakPolarHBondContact O-CG 3.44Å; E442-R446 PolarHBondContact O-N 3.18Å; E442-R446 IonicContact OE1-CZ 3.39Å; E442-R446 IonicContact OE1-NH1 3.74Å; E442-R446 IonicContact OE1-NH2 3.59Å; E442-R446 PolarHBondContact OE1-NH2 3.32Å; E442-R446 IonicContact OE2-CZ 3.12Å; E442-R446 IonicContact OE2-NH1 2.74Å; E442-R446 PolarHBondContact OE2-NH1 3.46Å; E442-R446 IonicContact OE2-NH2 2.72Å; E442-R446 PolarHBondContact OE2-NH2 2.61Å |
| 443 | A | 59.6 | Low | 42.8 | Very low | 40 Ų | 40 | 136.7 Ų | 136.7 | 33% | 0.331 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -65.7 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P439 E440 Y441 M445 R446 Q447 | P439-A443 HydrophobicContact CB-CB 4.43Å; E440-A443 WeakPolarHBondContact O-CA 3.5Å; E440-A443 WeakPolarHBondContact O-CB 3.47Å; E440-A443 PolarHBondContact O-N 2.82Å; Y441-A443 PolarHBondContact O-N 3.3Å; A443-M445 PolarHBondContact O-N 2.78Å; A443-R446 PolarHBondContact O-N 2.94Å; A443-Q447 WeakPolarHBondContact O-CB 3.25Å; A443-Q447 PolarHBondContact O-N 3.12Å |
| 444 | V | 55.9 | Low | 42.5 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 39% | 0.394 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -61.2 | -43.7 | 173 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | P439 E440 Y441 Q447 K448 | P439-V444 HydrophobicContact CB-CG2 4.1Å; P439-V444 HydrophobicContact CG-CG2 3.8Å; E440-V444 PolarHBondContact O-N 2.59Å; Y441-V444 PolarHBondContact O-N 3.48Å; V444-Q447 PolarHBondContact O-N 3.26Å; V444-K448 VanDerWaalsContact O-CB 3.3Å; V444-K448 WeakPolarHBondContact O-CB 3.46Å; V444-K448 PolarHBondContact O-N 2.82Å |
| 445 | M | 57 | Low | 42.3 | Very low | 57 Ų | 57 | 137.8 Ų | 137.8 | 28% | 0.281 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -70.9 | -35.1 | 179.7 | -70.3 | -65.9 | -87 | 0 | 0 | 113 | Y441 E442 A443 K448 R449 | Y441-M445 HydrophobicContact CD1-CG 4.28Å; Y441-M445 HydrophobicContact CD2-CG 4.3Å; Y441-M445 HydrophobicContact CE1-CG 3.97Å; Y441-M445 HydrophobicContact CE2-CG 3.98Å; Y441-M445 HydrophobicContact CE2-SD 4.38Å; Y441-M445 HydrophobicContact CG-CG 4.44Å; Y441-M445 WeakPolarHBondContact O-CB 3.34Å; Y441-M445 VanDerWaalsContact O-CG 3.23Å; Y441-M445 WeakPolarHBondContact O-CG 3.15Å; Y441-M445 PolarHBondContact O-N 2.82Å; E442-M445 PolarHBondContact O-N 2.81Å; A443-M445 PolarHBondContact O-N 2.78Å; M445-K448 PolarHBondContact O-N 3.24Å; M445-K448 HydrophobicContact SD-CD 4.49Å; M445-R449 WeakPolarHBondContact O-CB 3.23Å; M445-R449 WeakPolarHBondContact O-CG 3.43Å; M445-R449 PolarHBondContact O-N 2.96Å |
| 446 | R | 50.4 | Low | 42.1 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 53% | 0.532 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 170.8 | -75.2 | 168.8 | -179.1 | 127.3 | 10.4 | 111.6 | E442 A443 | E442-R446 VanDerWaalsContact O-CB 3.32Å; E442-R446 WeakPolarHBondContact O-CB 3.42Å; E442-R446 WeakPolarHBondContact O-CG 3.44Å; E442-R446 PolarHBondContact O-N 3.18Å; E442-R446 IonicContact OE1-CZ 3.39Å; E442-R446 IonicContact OE1-NH1 3.74Å; E442-R446 IonicContact OE1-NH2 3.59Å; E442-R446 PolarHBondContact OE1-NH2 3.32Å; E442-R446 IonicContact OE2-CZ 3.12Å; E442-R446 IonicContact OE2-NH1 2.74Å; E442-R446 PolarHBondContact OE2-NH1 3.46Å; E442-R446 IonicContact OE2-NH2 2.72Å; E442-R446 PolarHBondContact OE2-NH2 2.61Å; A443-R446 PolarHBondContact O-N 2.94Å |
| 447 | Q | 42 | Very low | 41.8 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71 | -39.6 | 175.5 | -169.1 | 166.8 | -5.6 | 0 | 0 | 111.9 | A443 V444 R449 R450 | A443-Q447 WeakPolarHBondContact O-CB 3.25Å; A443-Q447 PolarHBondContact O-N 3.12Å; V444-Q447 PolarHBondContact O-N 3.26Å; Q447-R449 VanDerWaalsContact C-N 3.32Å; Q447-R449 PolarHBondContact O-N 3.14Å; Q447-R450 PolarHBondContact O-N 2.79Å |
| 448 | K | 44.3 | Very low | 41.2 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.1 | -25.2 | 177.4 | -159.6 | 173.4 | -175.3 | -178.6 | 0 | 113.3 | V444 M445 R450 | V444-K448 VanDerWaalsContact O-CB 3.3Å; V444-K448 WeakPolarHBondContact O-CB 3.46Å; V444-K448 PolarHBondContact O-N 2.82Å; M445-K448 PolarHBondContact O-N 3.24Å; M445-K448 HydrophobicContact SD-CD 4.49Å; K448-R450 VanDerWaalsContact C-N 3.34Å |
| 449 | R | 42.4 | Very low | 40.6 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 80% | 0.8 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0.6 | 172.5 | -72.1 | -175 | -162.4 | -151 | 8.8 | 114.8 | M445 Q447 | M445-R449 WeakPolarHBondContact O-CB 3.23Å; M445-R449 WeakPolarHBondContact O-CG 3.43Å; M445-R449 PolarHBondContact O-N 2.96Å; Q447-R449 VanDerWaalsContact C-N 3.32Å; Q447-R449 PolarHBondContact O-N 3.14Å |
| 450 | R | 37.1 | Very low | 39.8 | Very low | 223 Ų | 223 | 132.3 Ų | 132.3 | 84% | 0.842 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 15 | -178 | -82.9 | -170.1 | 174.2 | -173.2 | -0.1 | 115.6 | Q447 K448 | Q447-R450 PolarHBondContact O-N 2.79Å; K448-R450 VanDerWaalsContact C-N 3.34Å |
| 451 | V | 34 | Very low | 39 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | trans | -132.8 | 74.1 | -177.8 | -168 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 452 | V | 32.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 84% | 0.842 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -142.3 | 137.4 | 161.2 | 176.9 | 0 | 0 | 0 | 0 | 105.9 | ||
| 453 | P | 35 | Very low | 37 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | trans | -82.7 | 151 | -159.4 | 31.7 | -36.7 | 0 | 0 | 0 | 114.6 | ||||
| 454 | A | 26.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | trans | -108.5 | 122.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 455 | H | 28.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | trans | -83.3 | 160.4 | 151 | -77.7 | -116.8 | 0 | 0 | 0 | 108 | ||||
| 456 | H | 29 | Very low | 33.2 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -147.5 | 168.9 | 14.6 | -134.4 | -79.1 | 0 | 0 | 0 | 109.7 | ||||
| 457 | D | 27.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 69.7 | 144.6 | 154.8 | -65.2 | -18.6 | 0 | 0 | 0 | 119.3 | ||||
| 458 | L | 29.8 | Very low | 31.5 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | cis | -153.8 | 150.1 | 5 | -111.7 | 152.7 | 0 | 0 | 0 | 110.2 | ||||
| 459 | H | 28.2 | Very low | 30.7 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | 62.8 | 155.2 | 164.2 | -82 | 62.4 | 0 | 0 | 0 | 118.8 | ||||
| 460 | S | 27.9 | Very low | 30.1 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | cis | -172.1 | 137.7 | -24.7 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 461 | Q | 27.8 | Very low | 29.7 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | trans | 65.8 | 163.9 | 167.5 | -48.7 | 174.6 | 22.9 | 0 | 0 | 114.7 | ||||
| 462 | S | 28.8 | Very low | 29.7 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | cis | -155.6 | 146.8 | 4.3 | -150.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 463 | L | 32.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 129 Ų | 129 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | trans | 59.6 | 128.4 | 157.4 | -63.4 | 168.1 | 0 | 0 | 0 | 118.9 | ||||
| 464 | R | 27.8 | Very low | 29.4 | Very low | 222 Ų | 222 | 134 Ų | 134 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | 59.4 | 143.3 | 74.4 | -71.2 | -169 | -173.3 | 147.8 | -4.1 | 113.9 | |||||
| 465 | S | 29.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | -175.9 | 166.9 | -8.2 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 466 | L | 35.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | cis | -124.5 | 176.8 | 10.6 | -77.5 | 88.3 | 0 | 0 | 0 | 109.2 | ||||
| 467 | N | 27.5 | Very low | 30.6 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | 82.7 | 122.6 | 21.5 | -165.3 | 26.3 | 0 | 0 | 0 | 117.3 | ||||
| 468 | I | 30.1 | Very low | 31 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 167.7 | 115.2 | 160.4 | -92 | 154.2 | 0 | 0 | 0 | 105.1 | ||||
| 469 | S | 26.5 | Very low | 31.4 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 54% | 0.538 | 73% | 0.728 | S | S | . | * | cis | 78.7 | 143.1 | 41.1 | 86.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 470 | N | 30.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | cis | -169 | 169.7 | -5.1 | -106.2 | 3.8 | 0 | 0 | 0 | 107 | ||||
| 471 | A | 28.7 | Very low | 32.1 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | cis | -177 | -170.4 | -23.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 472 | C | 32.8 | Very low | 32.4 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 88% | 0.878 | 74% | 0.74 | S | S | * | * | trans | 73.4 | 155.2 | 160.3 | -62.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 473 | A | 28.7 | Very low | 32.7 | Very low | 84 Ų | 84 | 139.8 Ų | 139.8 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | cis | -168.6 | 173.9 | -21.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 474 | Y | 34.2 | Very low | 32.7 | Very low | 224 Ų | 224 | 142 Ų | 142 | 88% | 0.878 | 75% | 0.749 | S | S | * | * | cis | -141 | -139.5 | 3.1 | -143.4 | -23 | 0 | 0 | 0 | 107.4 | ||||
| 475 | R | 28.1 | Very low | 34 | Very low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | cis | -155.1 | 155.2 | -1 | -155.6 | 179.6 | 179.1 | 173.2 | 0.3 | 108.1 | ||||
| 476 | K | 32.5 | Very low | 34.2 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | -157.6 | 170.8 | 178 | -152 | -169.7 | 163.4 | -154.7 | 0 | 112.7 | E478 | K476-E478 WeakPolarHBondContact CD-OE1 3.35Å; K476-E478 WeakPolarHBondContact CE-OE1 3.49Å; K476-E478 IonicContact NZ-OE1 2.7Å; K476-E478 PolarHBondContact NZ-OE1 2.92Å | ||
| 477 | P | 47.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -110.6 | 155.2 | 154.6 | 5.7 | 16.5 | 0 | 0 | 0 | 114 | ||||
| 478 | E | 35.9 | Very low | 34.1 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 62% | 0.621 | 74% | 0.738 | S | S | * | * | trans | -134.1 | 155.8 | -174.2 | -95.3 | 37.5 | -109.2 | 0 | 0 | 109.8 | K476 | K476-E478 WeakPolarHBondContact CD-OE1 3.35Å; K476-E478 WeakPolarHBondContact CE-OE1 3.49Å; K476-E478 IonicContact NZ-OE1 2.7Å; K476-E478 PolarHBondContact NZ-OE1 2.92Å | ||
| 479 | A | 37.7 | Very low | 34.1 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | cis | -162.1 | -64.2 | -17.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 480 | L | 37.7 | Very low | 34.1 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | 60.2 | -168.1 | -176.9 | -58.5 | 176.9 | 0 | 0 | 0 | 115.1 | ||||
| 481 | V | 34.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | -157.6 | 157.3 | -90.2 | 89.6 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 482 | Y | 33.4 | Very low | 35.1 | Very low | 216 Ų | 216 | 144.7 Ų | 144.7 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | cis | -123.2 | -126.6 | 0.1 | -162.2 | -170.9 | 0 | 0 | 0 | 109.8 | ||||
| 483 | S | 35 | Very low | 34.9 | Very low | 97 Ų | 97 | 147.9 Ų | 147.9 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -155.5 | 162.6 | -3 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 484 | Q | 32.8 | Very low | 35 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -156.2 | 177.2 | 178.3 | -81.5 | -152.6 | -21.1 | 0 | 0 | 109.6 | ||||
| 485 | P | 54.7 | Low | 34.6 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 60% | 0.597 | 73% | 0.733 | S | S | * | * | cis | -142.2 | -171.1 | 13.3 | 46 | -26.9 | 0 | 0 | 0 | 118.2 | ||||
| 486 | E | 34.5 | Very low | 35.3 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 69.5 | 158.7 | 153.6 | -74.3 | 161.1 | -144.6 | 0 | 0 | 122.2 | ||||
| 487 | M | 28.7 | Very low | 35 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | cis | -174.6 | 138.2 | -35.7 | 175.5 | 175 | 60.2 | 0 | 0 | 113 | ||||
| 488 | R | 32 | Very low | 34.9 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | trans | 62.9 | 169.2 | 161.8 | -79 | 177.9 | 177.1 | 136.1 | -2.1 | 117.7 | ||||
| 489 | E | 29 | Very low | 34.7 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 59% | 0.589 | 75% | 0.752 | S | S | * | * | cis | -154.1 | 161.9 | -5.9 | -131.1 | 179.7 | 119.3 | 0 | 0 | 112.4 | ||||
| 490 | R | 27.9 | Very low | 35 | Very low | 216 Ų | 216 | 140 Ų | 140 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 146.1 | 154.4 | -64.8 | -175.8 | -161.4 | -147.3 | -1.5 | 123.5 | ||||
| 491 | G | 25.5 | Very low | 34.6 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | trans | -105.2 | -138.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 492 | P | 53.2 | Low | 35.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | cis | -142.7 | -154 | -0.9 | 37.2 | -12.9 | 0 | 0 | 0 | 113.9 | ||||
| 493 | Y | 29.4 | Very low | 34.9 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 98.5 | 152.2 | 160.1 | -71.2 | -62.3 | 0 | 0 | 0 | 122 | ||||
| 494 | H | 30.3 | Very low | 34.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -0.7 | 152.3 | 166.5 | -56.4 | -68.3 | 0 | 0 | 0 | 120.7 | ||||
| 495 | G | 26.6 | Very low | 35.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | cis | 176.9 | -169.8 | 11.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 496 | P | 43.1 | Very low | 33.9 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | trans | -96.9 | 159.9 | -163.7 | 37.2 | -36.1 | 0 | 0 | 0 | 115.7 | ||||
| 497 | G | 26.2 | Very low | 33.5 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 74% | 0.744 | S | S | * | * | trans | -168.6 | 128.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 498 | P | 44.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -128.7 | 148 | -169.6 | 39.9 | -26.3 | 0 | 0 | 0 | 117.8 | ||||
| 499 | N | 31 | Very low | 33.1 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 58.3 | 178.9 | 157.8 | -80 | -8.7 | 0 | 0 | 0 | 117.7 | ||||
| 500 | P | 45.6 | Very low | 33 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -120.8 | -166.1 | -21 | 23.9 | -0.4 | 0 | 0 | 0 | 112.8 | ||||
| 501 | G | 29.1 | Very low | 33.4 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | -74 | -169.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 502 | P | 45 | Very low | 34.2 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -152.8 | 166.5 | 52.3 | 35.4 | -11.4 | 0 | 0 | 0 | 120.3 | |||||
| 503 | Y | 28.3 | Very low | 33.2 | Very low | 208 Ų | 208 | 134.5 Ų | 134.5 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 42.6 | 109.6 | 142.3 | -79.5 | -96.7 | 0 | 0 | 0 | 125.7 | ||||
| 504 | T | 27 | Very low | 33.2 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 59.9 | 174.3 | 125.4 | 62.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 505 | P | 50.3 | Low | 33.3 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -132.2 | -163.5 | -23.9 | 26.2 | -1.4 | 0 | 0 | 0 | 114.4 | ||||
| 506 | Q | 24.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 129 Ų | 129 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | 75.7 | 166.6 | 163.6 | -56.7 | -76.1 | -34.7 | 0 | 0 | 118 | ||||
| 507 | I | 26.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | -160 | 131.1 | -68.9 | -112 | 171.5 | 0 | 0 | 0 | 110 | |||||
| 508 | S | 23.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | 63 | 151.1 | 155 | -61.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 509 | Y | 27.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | 86.5 | 103.9 | 148.6 | -84.4 | -63.7 | 0 | 0 | 0 | 124.9 | ||||
| 510 | S | 27.7 | Very low | 32.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 72.2 | 141.2 | 132.6 | 50.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 511 | K | 35.2 | Very low | 31.8 | Very low | 198 Ų | 198 | 126.1 Ų | 126.1 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -79.4 | 162.9 | 166.8 | -54.8 | 173.8 | -180 | 177 | 0 | 112.1 | ||||
| 512 | P | 43.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | -136.9 | 142.3 | 114.1 | 19.1 | 1.9 | 0 | 0 | 0 | 113.4 | |||||
| 513 | V | 30.7 | Very low | 32 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | 66.7 | 136.2 | 88.1 | 176.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 514 | S | 30.2 | Very low | 32 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -176.8 | 168.3 | -20.1 | -85.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 515 | H | 32 | Very low | 32 | Very low | 160 Ų | 160 | 122.7 Ų | 122.7 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | 167.3 | 156.9 | 124.3 | -99.6 | -92.4 | 0 | 0 | 0 | 114.9 | H517 | H515-H517 AromaticContact CE1-CE1 3.4Å; H515-H517 PolarHBondContact CE1-CE1 3.4Å; H515-H517 AromaticContact CE1-NE2 3.41Å; H515-H517 PolarHBondContact CE1-NE2 2.81Å; H515-H517 AromaticContact ND1-CD2 3.73Å; H515-H517 AromaticContact ND1-CE1 3.15Å; H515-H517 PolarHBondContact ND1-CE1 3.5Å; H515-H517 AromaticContact ND1-ND1 3.88Å; H515-H517 AromaticContact ND1-NE2 2.98Å; H515-H517 PolarHBondContact ND1-NE2 3.13Å | |||
| 516 | G | 28.5 | Very low | 31 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 118.3 | 88 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 517 | H | 33.3 | Very low | 31 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | cis | 77.9 | 125.5 | 41.9 | -65.9 | -5.2 | 0 | 0 | 0 | 113.4 | H515 | H515-H517 AromaticContact CE1-CE1 3.4Å; H515-H517 PolarHBondContact CE1-CE1 3.4Å; H515-H517 AromaticContact CE1-NE2 3.41Å; H515-H517 PolarHBondContact CE1-NE2 2.81Å; H515-H517 AromaticContact ND1-CD2 3.73Å; H515-H517 AromaticContact ND1-CE1 3.15Å; H515-H517 PolarHBondContact ND1-CE1 3.5Å; H515-H517 AromaticContact ND1-ND1 3.88Å; H515-H517 AromaticContact ND1-NE2 2.98Å; H515-H517 PolarHBondContact ND1-NE2 3.13Å | ||
| 518 | H | 34.2 | Very low | 31.9 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | cis | -152.2 | 172.5 | 4.8 | -80.5 | -57.3 | 0 | 0 | 0 | 108.4 | ||||
| 519 | S | 33.4 | Very low | 31.8 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -177.2 | 159.9 | -22.8 | 54.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 520 | G | 27.4 | Very low | 31.7 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | cis | 160.8 | 161.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 521 | G | 29.9 | Very low | 31.6 | Very low | 75 Ų | 75 | 119.9 Ų | 119.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 80.6 | 163.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 522 | P | 46.8 | Very low | 32.1 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -141.9 | 142.2 | -31.6 | 37.4 | -20.3 | 0 | 0 | 0 | 115.9 | ||||
| 523 | A | 30.7 | Very low | 31.3 | Very low | 96 Ų | 96 | 115.5 Ų | 115.5 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | 63 | 169.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 524 | N | 29.3 | Very low | 31.3 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | cis | -154.3 | 152.7 | -18.4 | -139.9 | 9.9 | 0 | 0 | 0 | 112.1 | ||||
| 525 | S | 27.6 | Very low | 31.3 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 52% | 0.517 | 75% | 0.748 | S | S | . | * | trans | 36 | 144 | 141 | 66.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 526 | H | 28.4 | Very low | 31.3 | Very low | 183 Ų | 183 | 115.8 Ų | 115.8 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | trans | 88.8 | 145.9 | 155.4 | -53.6 | -63.4 | 0 | 0 | 0 | 120 | ||||
| 527 | G | 23.8 | Very low | 31.5 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -100.7 | -146 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 528 | P | 45.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | cis | -136.2 | -166.7 | 2.2 | 40.1 | -20.1 | 0 | 0 | 0 | 114.5 | ||||
| 529 | C | 22.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | 75.5 | 160.5 | 155.5 | -63 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 530 | H | 25.4 | Very low | 31 | Very low | 178 Ų | 178 | 118.3 Ų | 118.3 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | 64.3 | 104.6 | 158.9 | -61.9 | -60.2 | 0 | 0 | 0 | 122.4 | ||||
| 531 | S | 24.4 | Very low | 31.1 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | 8 | 158.8 | 107 | -72.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 532 | P | 47 | Very low | 31 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | cis | -150.3 | -173.4 | -21.5 | 42 | -22.1 | 0 | 0 | 0 | 117 | ||||
| 533 | C | 27 | Very low | 30.2 | Very low | 117 Ų | 117 | 122 Ų | 122 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 79 | 154.8 | 142.3 | -73.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 534 | I | 29.1 | Very low | 30.3 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | 96.6 | 96.6 | 155.3 | -49.7 | -154.5 | 0 | 0 | 0 | 120.5 | ||||
| 535 | N | 31.6 | Very low | 30.3 | Very low | 160 Ų | 160 | 119.7 Ų | 119.7 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 50.6 | 136.2 | 131 | -51.4 | -6 | 0 | 0 | 0 | 123.8 | ||||
| 536 | G | 30.8 | Very low | 30.5 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -177.8 | 90.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 537 | V | 32.1 | Very low | 30.6 | Very low | 156 Ų | 156 | 118 Ų | 118 | 95% | 0.945 | 78% | 0.781 | S | S | * | * | trans | -50.2 | 148.2 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 538 | G | 30.7 | Very low | 30.9 | Very low | 64 Ų | 64 | 121.6 Ų | 121.6 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | 139.4 | 110.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 539 | E | 31.5 | Very low | 30.1 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | 56 | 126 | 141.7 | -57.5 | -163.6 | 148.1 | 0 | 0 | 126.3 | ||||
| 540 | S | 30.1 | Very low | 30.8 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | 77 | 117 | 133.9 | -159.6 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 541 | S | 29.1 | Very low | 30.9 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 66.4 | 128.4 | 142.2 | 60.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 542 | G | 27.7 | Very low | 31.5 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | 137.4 | 84.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 543 | D | 28.6 | Very low | 30.7 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 59.3 | 152.2 | 145.8 | -135 | 28.6 | 0 | 0 | 0 | 124.3 | ||||
| 544 | V | 33.7 | Very low | 31.3 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 3.7 | 129.4 | 165.6 | 177.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 545 | G | 30.1 | Very low | 32.6 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | 164.4 | 76.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 546 | S | 31.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 65.2 | 160 | 150.5 | 80.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 547 | S | 30.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 78.4 | 108.9 | 152 | -139.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 548 | I | 30.6 | Very low | 33.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | 59 | 119.7 | 127.6 | -60 | 177.5 | 0 | 0 | 0 | 121.6 | |||||
| 549 | S | 28.6 | Very low | 33.3 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | trans | 77.7 | 105.2 | 147.6 | -68 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 550 | H | 37.4 | Very low | 33.5 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 54.6 | 121.2 | 130.5 | -57.2 | -70.8 | 0 | 0 | 0 | 123.2 | ||||
| 551 | T | 26.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | trans | -160.1 | 173.8 | 135.7 | 0.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 552 | V | 37.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -139.8 | 144.7 | -169.5 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 553 | S | 30.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 92.2 | 143.4 | 168.4 | -65.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 554 | T | 40.6 | Very low | 33.7 | Very low | 133 Ų | 133 | 131 Ų | 131 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -86.9 | 179.8 | 175.7 | 52 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 555 | P | 56 | Low | 33.5 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -149.7 | -156.8 | 20.4 | 44.6 | -21.5 | 0 | 0 | 0 | 117.6 | ||||
| 556 | E | 29.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 94.6 | 166.8 | 151.1 | -87.9 | 178.2 | -163.5 | 0 | 0 | 123.1 | ||||
| 557 | L | 42.9 | Very low | 33.1 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | trans | -140.9 | 151.6 | -152.7 | -78 | 165.5 | 0 | 0 | 0 | 112.9 | ||||
| 558 | A | 32.3 | Very low | 32.9 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -155.1 | 127.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 559 | N | 34.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 45.8 | 149.6 | 123 | -68.2 | -20.4 | 0 | 0 | 0 | 122.2 | |||||
| 560 | T | 35.4 | Very low | 32.7 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | cis | -159.5 | 154 | 1.6 | 2.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 561 | K | 28 | Very low | 32.2 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 140.1 | 134.9 | 145.7 | -81 | -165.4 | 171.1 | -173 | 0 | 110.1 | ||||
| 562 | Q | 34.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | cis | -157.2 | 156.7 | -10 | -94.7 | 177.8 | -88.4 | 0 | 0 | 107.2 | ||||
| 563 | Q | 31.9 | Very low | 31.7 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | cis | -173 | 135.9 | -18.6 | -173.6 | 166.2 | 8 | 0 | 0 | 110.3 | ||||
| 564 | G | 27.1 | Very low | 31.6 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | trans | 98.8 | 127.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 565 | A | 28.7 | Very low | 31 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | trans | 60.7 | 148.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 566 | S | 27.4 | Very low | 29.9 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -163.1 | 152.3 | -22.8 | -171.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 567 | M | 25.8 | Very low | 30 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | 37.4 | 134.8 | 157.6 | -69.1 | 167.7 | 61.9 | 0 | 0 | 121.6 | ||||
| 568 | G | 26.3 | Very low | 29.4 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 147.1 | 84.6 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 569 | N | 26 | Very low | 29.4 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | 36.1 | 138.7 | 122.9 | -78.1 | -1.5 | 0 | 0 | 0 | 123.8 | |||||
| 570 | Y | 28.5 | Very low | 29.3 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 102.7 | 140.1 | -81.9 | -115.8 | 0 | 0 | 0 | 121 | ||||
| 571 | A | 27.3 | Very low | 29 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | 67 | 175.1 | 114.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 572 | V | 26.2 | Very low | 29 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 75.1 | 125.3 | 167.9 | -173.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 573 | N | 26.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -7.3 | 137.3 | 155.3 | -48.1 | -36.7 | 0 | 0 | 0 | 119.1 | ||||
| 574 | A | 27.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 42.1 | 147.3 | 130.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 575 | N | 29.8 | Very low | 30.2 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | 173.1 | 174.8 | 55.4 | -150.1 | -12.7 | 0 | 0 | 0 | 111.5 | |||||
| 576 | M | 31.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | 81.9 | 152.6 | 149.3 | -70.1 | -68.3 | 167 | 0 | 0 | 123.5 | ||||
| 577 | L | 32.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 82.2 | 125.6 | 169.8 | -46.6 | -179.6 | 0 | 0 | 0 | 116 | ||||
| 578 | R | 30.7 | Very low | 32.5 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | cis | -155.5 | 122.5 | -5.9 | -116.6 | 175.2 | 179.7 | 178 | -0.1 | 107 | ||||
| 579 | N | 30.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | 96.1 | 144.3 | 88.4 | -102.1 | 29.7 | 0 | 0 | 0 | 114.9 | |||||
| 580 | H | 33.5 | Very low | 33.2 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | 68.4 | 126.7 | 167.1 | -52.6 | -53.3 | 0 | 0 | 0 | 115.9 | ||||
| 581 | M | 29.2 | Very low | 33.1 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | cis | -150.3 | 161.8 | -1 | -55 | -170.5 | 79.2 | 0 | 0 | 108.5 | ||||
| 582 | S | 28.5 | Very low | 33.1 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | cis | -164.4 | 117.5 | -18.6 | 43.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 583 | R | 31.8 | Very low | 33.2 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | trans | 6.9 | 165.4 | 135.8 | -87.4 | -168.5 | 166.4 | -162.2 | -2.7 | 121.3 | ||||
| 584 | P | 39.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | cis | -139.4 | -139.6 | -25.7 | 36.3 | -10.7 | 0 | 0 | 0 | 113.6 | ||||
| 585 | P | 45.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | -131.6 | -140.8 | -94.4 | 50.3 | -29.7 | 0 | 0 | 0 | 113.9 | |||||
| 586 | P | 54.3 | Low | 33.9 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | trans | -98.8 | -173.7 | -162.7 | 44.8 | -42.4 | 0 | 0 | 0 | 115.4 | ||||
| 587 | P | 37.7 | Very low | 33.6 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | -149.4 | 179.1 | 100.3 | 42.3 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 588 | Y | 38.1 | Very low | 33.4 | Very low | 226 Ų | 226 | 140.6 Ų | 140.6 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | trans | -94.6 | 144.5 | 150.4 | -88.3 | -76 | 0 | 0 | 0 | 107.5 | ||||
| 589 | P | 41.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | -158.2 | -178.7 | 77.3 | 41.1 | -19.9 | 0 | 0 | 0 | 118.3 | |||||
| 590 | S | 26 | Very low | 34.1 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 69 | 140.9 | 143.7 | 64.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 591 | S | 25.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 66.3 | 157.6 | 160.6 | 79.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 592 | S | 27.5 | Very low | 34.1 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | -168.2 | -163.8 | -24.2 | 49.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 593 | F | 29.3 | Very low | 34 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 67.8 | 112.1 | 168 | -73.6 | -75.9 | 0 | 0 | 0 | 121.7 | ||||
| 594 | R | 27.8 | Very low | 33.8 | Very low | 228 Ų | 228 | 128.7 Ų | 128.7 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -60.3 | 174.5 | 137 | -81.7 | -171.9 | -175.7 | -159.6 | 6.2 | 111.3 | ||||
| 595 | P | 45.7 | Very low | 33.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -136 | -160 | -29.9 | 35 | -14.2 | 0 | 0 | 0 | 111.5 | ||||
| 596 | A | 24.6 | Very low | 32.4 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | 132.1 | 134.3 | 125.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 597 | T | 25.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | 34.7 | 116.2 | 145 | 58.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 598 | S | 27.4 | Very low | 30.6 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -172.7 | 108 | 116.8 | 25.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 599 | T | 33.5 | Very low | 30 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -88.6 | 174.8 | 138.7 | 26 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 600 | P | 44.2 | Very low | 29.5 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -116.9 | -137.7 | 9.3 | 28.7 | -3 | 0 | 0 | 0 | 110.2 | ||||
| 601 | D | 28.9 | Very low | 29.4 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -163 | 174.9 | 4.7 | -146.3 | -12.9 | 0 | 0 | 0 | 114.1 | ||||
| 602 | L | 32.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 71.3 | 139 | 155.9 | -72.3 | 166.1 | 0 | 0 | 0 | 120.1 | ||||
| 603 | A | 27.4 | Very low | 29.4 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -126.5 | 142.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 604 | S | 26.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 178.2 | 152.9 | 161.8 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 605 | H | 29 | Very low | 30 | Very low | 135 Ų | 135 | 130 Ų | 130 | 63% | 0.625 | 78% | 0.784 | S | S | * | * | cis | -177.1 | 149.6 | -32.1 | -171.9 | 30.1 | 0 | 0 | 0 | 106.2 | ||||
| 606 | R | 26.9 | Very low | 29.3 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | 79.9 | 98 | 161.8 | -47.8 | -167.8 | 174.2 | -177.7 | -1.4 | 122.8 | ||||
| 607 | H | 28.1 | Very low | 29.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | 64 | 143.9 | 114.7 | -62.8 | -62.6 | 0 | 0 | 0 | 125.7 | |||||
| 608 | R | 26.5 | Very low | 29.9 | Very low | 238 Ų | 238 | 135.1 Ų | 135.1 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | 86.9 | 142 | 161.7 | -66.3 | -168.7 | 179 | -162.8 | 1.2 | 118 | ||||
| 609 | C | 25.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 136 Ų | 136 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -173.9 | 169.3 | -29.8 | -113.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 610 | I | 29.4 | Very low | 30.1 | Very low | 178 Ų | 178 | 139.4 Ų | 139.4 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | 75.9 | 135.3 | 172.5 | -50.5 | 164.8 | 0 | 0 | 0 | 114.7 | ||||
| 611 | G | 24.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | cis | 167.4 | 153.3 | -11.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 612 | G | 26.3 | Very low | 29.4 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 103.1 | 144.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 613 | S | 27.4 | Very low | 29.4 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | cis | -166.6 | 120.7 | -12.6 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 614 | S | 30.3 | Very low | 29.4 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 66.2 | 163.8 | 159.6 | -51.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 615 | P | 39.5 | Very low | 29.5 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -133.5 | 132.4 | -77.4 | 34.6 | -16.7 | 0 | 0 | 0 | 115.5 | |||||
| 616 | E | 29.9 | Very low | 29.3 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -120.3 | 129.8 | 162.6 | -77.8 | -166.9 | 137.7 | 0 | 0 | 111.3 | ||||
| 617 | L | 33 | Very low | 29.4 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | trans | -159.8 | 118.3 | 151.2 | -79.4 | -168.8 | 0 | 0 | 0 | 105.4 | ||||
| 618 | V | 31.3 | Very low | 29.3 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | cis | 58.2 | 106 | 48.8 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 619 | T | 33.3 | Very low | 29.2 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.3 | 179.5 | 37.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 620 | R | 31.8 | Very low | 29.6 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 134.4 | -176.7 | -68.1 | -179.3 | 176.9 | 174 | -1.1 | 111.7 | ||
| 621 | M | 31.8 | Very low | 29.8 | Very low | 177 Ų | 177 | 140 Ų | 140 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.8 | 143.7 | -88.1 | -170.5 | -79.6 | 0 | 0 | 109.5 | ||
| 622 | V | 26.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -127.3 | 104.3 | 160.6 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | L624 | V622-L624 HydrophobicContact CG1-CG 4.24Š| ||
| 623 | Q | 31.4 | Very low | 30 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -76.8 | 146.3 | 152.6 | -68.6 | 178.1 | -33.4 | 0 | 0 | 108.2 | ||||
| 624 | L | 27.4 | Very low | 29.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -127.4 | 136.7 | 160.1 | -92.1 | 171.9 | 0 | 0 | 0 | 109.3 | V622 | V622-L624 HydrophobicContact CG1-CG 4.24Š| ||
| 625 | S | 29.4 | Very low | 29.7 | Very low | 90 Ų | 90 | 143.5 Ų | 143.5 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | -133.9 | 130.6 | -167.5 | -48.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 626 | V | 24.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | trans | -136.2 | 105 | 163.8 | -174.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 627 | K | 28.4 | Very low | 28.8 | Very low | 187 Ų | 187 | 141 Ų | 141 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | 85.1 | 64.5 | 25.1 | -154.2 | -166.6 | -179.7 | -176.6 | 0 | 115.8 | ||||
| 628 | T | 25.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -175 | 141.9 | 154.1 | 37.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 629 | F | 24.9 | Very low | 28.3 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | cis | -130.8 | 165.5 | 0.1 | -99.1 | -88.4 | 0 | 0 | 0 | 109.6 | ||||
| 630 | Q | 33.1 | Very low | 28 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -139.7 | 138.8 | 159.3 | -165.6 | -176.6 | 27.5 | 0 | 0 | 108.8 | ||||
| 631 | P | 33.6 | Very low | 27.8 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -106.1 | 115.2 | 164.1 | 33.9 | -24.8 | 0 | 0 | 0 | 111.9 | ||||
| 632 | D | 26.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | trans | 41.8 | 115.9 | 134.9 | -55.9 | -37.6 | 0 | 0 | 0 | 123.4 | ||||
| 633 | S | 28.4 | Very low | 27.5 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 67.3 | 104.1 | 112.7 | -52 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 634 | S | 25.5 | Very low | 27.2 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 56.7 | 114.7 | 124.5 | 66.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 635 | A | 27.6 | Very low | 27.2 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -162.9 | 147.4 | 135.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 636 | V | 26 | Very low | 27.1 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | 95 | 85 | 23.8 | -176.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 637 | V | 24.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | 54.9 | 150.9 | 141.4 | -154.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 638 | H | 26.3 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 78.6 | 125.5 | 177.9 | -68.4 | -77 | 0 | 0 | 0 | 114.8 | ||||
| 639 | Q | 26.4 | Very low | 27.8 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 58.9 | 131.9 | 73.3 | -74.1 | -174.9 | -38.3 | 0 | 0 | 112.8 | |||||
| 640 | S | 26.9 | Very low | 27.9 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -171.9 | 163.6 | -8.8 | -104.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 641 | L | 27.5 | Very low | 27.6 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 67.4 | 160.3 | 172.8 | -58.9 | 162.3 | 0 | 0 | 0 | 113.5 | ||||
| 642 | Q | 26.1 | Very low | 27.5 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -166.2 | 172.2 | -26.4 | -175.4 | -179.1 | -81.1 | 0 | 0 | 105.9 | ||||
| 643 | E | 26.7 | Very low | 27.6 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 72.8 | 158.1 | 165.9 | -46 | -169.6 | 175.7 | 0 | 0 | 115.4 | ||||
| 644 | V | 25.6 | Very low | 27.6 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | cis | -146.8 | 171.1 | -14.5 | 109 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 645 | S | 26.6 | Very low | 27.8 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -97.9 | 174 | -173.9 | 52.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 646 | E | 27.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | trans | 79.5 | 156.6 | 169.3 | -49.3 | -162 | 128.2 | 0 | 0 | 116 | L648 | E646-L648 VanDerWaalsContact OE1-CD2 3.26Å; E646-L648 WeakPolarHBondContact OE1-CD2 3.49Å; E646-L648 WeakPolarHBondContact OE2-CD1 3.33Å; E646-L648 WeakPolarHBondContact OE2-CG 3.49Å | ||
| 647 | P | 37.9 | Very low | 28.5 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | -109.6 | 156.6 | 68.2 | 36.7 | -37.8 | 0 | 0 | 0 | 116.6 | |||||
| 648 | L | 26.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -79.2 | 155.2 | 178.4 | -74.2 | 154.2 | 0 | 0 | 0 | 114.4 | E646 | E646-L648 VanDerWaalsContact OE1-CD2 3.26Å; E646-L648 WeakPolarHBondContact OE1-CD2 3.49Å; E646-L648 WeakPolarHBondContact OE2-CD1 3.33Å; E646-L648 WeakPolarHBondContact OE2-CG 3.49Å | ||
| 649 | T | 29.4 | Very low | 29.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 75% | 0.752 | S | S | * | * | -151.5 | 147.3 | 125.1 | -4.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 650 | A | 26.8 | Very low | 30 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -51.3 | 160.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 651 | G | 26.7 | Very low | 30.6 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | -167.4 | 176.6 | 12.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 652 | A | 31 | Very low | 31 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | -92.3 | 176.6 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 653 | K | 28.7 | Very low | 31.5 | Very low | 184 Ų | 184 | 132.1 Ų | 132.1 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | -166.2 | 123.9 | 126.8 | -103.6 | 178.5 | -179.2 | 179.8 | 0 | 115.2 | |||||
| 654 | H | 29.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | 62.1 | 109.5 | 152.9 | -59.5 | -71.7 | 0 | 0 | 0 | 124.6 | ||||
| 655 | H | 29.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | 50.6 | 151.1 | 108.5 | -74.7 | -85.8 | 0 | 0 | 0 | 122.5 | |||||
| 656 | S | 29.6 | Very low | 32.6 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | 164.8 | 154.9 | -23.2 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 657 | A | 39 | Very low | 32.8 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -171.5 | -142.9 | -12.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 658 | L | 37.6 | Very low | 32.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | 82.4 | 139.4 | 173.6 | -55.7 | 167.8 | 0 | 0 | 0 | 116.7 | ||||
| 659 | D | 35 | Very low | 32.4 | Very low | 109 Ų | 109 | 133 Ų | 133 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | cis | -165.2 | -166.8 | -15 | -161.9 | 24.2 | 0 | 0 | 0 | 106.2 | ||||
| 660 | K | 36.9 | Very low | 32.3 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | cis | -159.1 | 124.8 | 7.9 | -175.6 | -179.6 | -91.9 | 62.8 | 0 | 113.3 | ||||
| 661 | R | 40.3 | Very low | 32.3 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | 13.4 | 140.6 | 148.7 | -44.8 | 177.2 | -173.2 | -175.4 | -0.4 | 123.5 | ||||
| 662 | H | 35.8 | Very low | 32.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | 179.6 | -164.3 | 96.2 | -85.2 | 112.5 | 0 | 0 | 0 | 112.6 | |||||
| 663 | S | 36.7 | Very low | 31.8 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -144.3 | 170 | -146.2 | 55.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 664 | M | 34.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | trans | 91.8 | 120 | 152.9 | -81 | 172.6 | 65.4 | 0 | 0 | 123.8 | ||||
| 665 | E | 35.5 | Very low | 31.7 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | 77.3 | 128.3 | 128 | -73.8 | -176 | -176.9 | 0 | 0 | 127.7 | |||||
| 666 | F | 31.5 | Very low | 31.6 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.772 | 74% | 0.741 | S | S | * | * | trans | 98.4 | 121 | 132.2 | -107.4 | -128.9 | 0 | 0 | 0 | 125.8 | ||||
| 667 | I | 29.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 65% | 0.651 | 74% | 0.739 | S | S | * | * | trans | 74.8 | 98.8 | 141.9 | -83.8 | -174.1 | 0 | 0 | 0 | 123.8 | ||||
| 668 | S | 27.2 | Very low | 31.2 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | 60 | 143.4 | 117.8 | -48.4 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 669 | S | 29.2 | Very low | 30.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 79.1 | 150.5 | 144 | -70.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 670 | M | 27.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -169 | 144.1 | -19.6 | -114 | -168.5 | -157.3 | 0 | 0 | 110.9 | ||||
| 671 | R | 27 | Very low | 30 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | 60.6 | 164.9 | 155.6 | -57.9 | 175.5 | -150.5 | -122 | 0.1 | 117.1 | ||||
| 672 | G | 24.6 | Very low | 29.4 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | cis | 146.3 | 134.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 673 | G | 23.9 | Very low | 28.9 | Very low | 88 Ų | 88 | 133 Ų | 133 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | 86.4 | 161.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 674 | G | 24.4 | Very low | 28.4 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 152.9 | 175.7 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 675 | I | 29.8 | Very low | 28 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 115.2 | 173.6 | -59.6 | 153.7 | 0 | 0 | 0 | 111.3 | ||||
| 676 | E | 28.7 | Very low | 27.4 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | 57.7 | 142.5 | 67.2 | -59.9 | -173 | 153.5 | 0 | 0 | 112.8 | |||||
| 677 | G | 30.2 | Very low | 27.4 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | cis | 159 | 154.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 678 | L | 29.9 | Very low | 27.1 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | 66.6 | 167.4 | 177 | -48.8 | 160.3 | 0 | 0 | 0 | 113.5 | ||||
| 679 | A | 28.8 | Very low | 26.9 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -140.8 | 132.6 | -4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 680 | M | 26.3 | Very low | 26.7 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 54.8 | 116.2 | 92.3 | -82.2 | -77.4 | -82 | 0 | 0 | 117.4 | |||||
| 681 | K | 27.9 | Very low | 26.5 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 67.1 | 135.2 | 172.5 | -55.5 | 178.7 | 177.8 | -177.9 | 0 | 115.7 | ||||
| 682 | G | 27.5 | Very low | 26.5 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 108.5 | 109.3 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 683 | M | 26.3 | Very low | 26.5 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -156.4 | 158.9 | 165.9 | -108.7 | 174.2 | 68.1 | 0 | 0 | 109.7 | ||||
| 684 | N | 26.8 | Very low | 26.7 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -90.1 | 168.8 | -176.1 | -58.4 | -18.2 | 0 | 0 | 0 | 112.1 | ||||
| 685 | T | 24.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 155 Ų | 155 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | 64.6 | 146.3 | 156.4 | 45.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 686 | A | 23.2 | Very low | 26.8 | Very low | 93 Ų | 93 | 156.3 Ų | 156.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | cis | -139.1 | 173.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 687 | L | 31.2 | Very low | 26.8 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -56.8 | 151.5 | 171 | -71.4 | 160.9 | 0 | 0 | 0 | 112.2 | ||||
| 688 | H | 24.2 | Very low | 26.5 | Very low | 199 Ų | 199 | 158.2 Ų | 158.2 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -134.8 | 136.2 | 148.2 | -111 | 45.9 | 0 | 0 | 0 | 110.9 | ||||
| 689 | R | 24 | Very low | 27.1 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 63% | 0.63 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 158.3 | -170.5 | -143.6 | 173.9 | -172.9 | 163 | 2.9 | 110 | E758 | R689-E758 IonicContact CZ-OE1 3.14Å; R689-E758 IonicContact CZ-OE2 3.49Å; R689-E758 IonicContact NH1-OE1 2.73Å; R689-E758 PolarHBondContact NH1-OE1 3.28Å; R689-E758 IonicContact NH1-OE2 3.78Å; R689-E758 IonicContact NH2-OE1 2.73Å; R689-E758 PolarHBondContact NH2-OE1 3.4Å; R689-E758 IonicContact NH2-OE2 2.75Å; R689-E758 PolarHBondContact NH2-OE2 3.06Å | ||
| 690 | R | 24.5 | Very low | 27 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | trans | 79.3 | 159.1 | 161.4 | -62.7 | -177.4 | 159.4 | 112.7 | 0.3 | 120 | ||||
| 691 | N | 22.6 | Very low | 27.1 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 74.5 | 138 | 174.7 | -48.1 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 692 | T | 27.3 | Very low | 27.3 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | cis | -134.7 | 156.6 | 7.9 | 46.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 693 | L | 25.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | cis | 57.4 | 92.2 | 5.1 | -131.2 | -175.2 | 0 | 0 | 0 | 116.4 | ||||
| 694 | R | 26.2 | Very low | 27.7 | Very low | 223 Ų | 223 | 154.2 Ų | 154.2 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | 162.9 | 100.1 | 119.3 | -171.1 | 167.4 | -156.8 | 159.4 | 4 | 113.1 | |||||
| 695 | E | 29 | Very low | 27.7 | Very low | 187 Ų | 187 | 155.8 Ų | 155.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 175.1 | 155.2 | -85.3 | -172.2 | 112.4 | 0 | 0 | 111.5 | ||||
| 696 | Q | 29.2 | Very low | 28.2 | Very low | 189 Ų | 189 | 154.2 Ų | 154.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -78 | 136.6 | -162 | -62.2 | 179.6 | -1.1 | 0 | 0 | 114.3 | ||||
| 697 | V | 27.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | 23.4 | 104.2 | 145.5 | -169.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 698 | M | 23.3 | Very low | 29.3 | Very low | 165 Ų | 165 | 156.6 Ų | 156.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | 29.1 | 154.1 | 125.6 | -68.9 | -170.6 | 82.8 | 0 | 0 | 121.9 | |||||
| 699 | P | 43.1 | Very low | 31 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | cis | -138.4 | -178.6 | 10 | 31.4 | -7.9 | 0 | 0 | 0 | 117.7 | ||||
| 700 | S | 26.9 | Very low | 32.4 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 111.2 | 140.1 | 50.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 701 | Q | 28.3 | Very low | 32.4 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 77.4 | 163.1 | 133.3 | -66.9 | -169.8 | -26.5 | 0 | 0 | 118.3 | ||||
| 702 | P | 32.6 | Very low | 33 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -134.3 | -165.4 | -87.8 | 33.8 | -9.9 | 0 | 0 | 0 | 115.2 | |||||
| 703 | Q | 22.1 | Very low | 33.9 | Very low | 184 Ų | 184 | 147.9 Ų | 147.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -49.6 | 166.5 | 170.5 | -61.8 | 176.9 | -45.8 | 0 | 0 | 114.3 | ||||
| 704 | P | 38.5 | Very low | 34.4 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -144.1 | -149.5 | 23.7 | 43.8 | -21.6 | 0 | 0 | 0 | 116.3 | ||||
| 705 | Q | 26.8 | Very low | 34.5 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -51.8 | 173.8 | 167.5 | -54.4 | 169.1 | -47.4 | 0 | 0 | 113.4 | ||||
| 706 | P | 35.7 | Very low | 34.7 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | cis | -148.4 | 177.5 | 17.2 | 45.8 | -26.3 | 0 | 0 | 0 | 119.2 | ||||
| 707 | Q | 23.8 | Very low | 36 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | 58.6 | 166 | 142.6 | -84.3 | -170.8 | -12.1 | 0 | 0 | 123.1 | ||||
| 708 | P | 54.2 | Low | 36.1 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -101.8 | -158 | -169.2 | 44.8 | -38.1 | 0 | 0 | 0 | 111.2 | ||||
| 709 | P | 60.8 | Low | 36.4 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -120.4 | -138.8 | -8.6 | 42.8 | -22.8 | 0 | 0 | 0 | 109.4 | ||||
| 710 | P | 51.6 | Low | 35.7 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | cis | -118.9 | -151.7 | -17.7 | 24.7 | 2.9 | 0 | 0 | 0 | 111 | ||||
| 711 | Q | 26.5 | Very low | 36.9 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -149.8 | 175.5 | 16.4 | -65.8 | -178.8 | 5.4 | 0 | 0 | 112.8 | ||||
| 712 | Q | 33.2 | Very low | 36.8 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -132.1 | 168.7 | 154.2 | -74.1 | -175.1 | -17.6 | 0 | 0 | 108.5 | ||||
| 713 | P | 47.3 | Very low | 36.6 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 75% | 0.752 | S | S | * | * | -132.9 | 134.8 | 107.4 | 10.1 | 11.7 | 0 | 0 | 0 | 113.7 | |||||
| 714 | K | 34.8 | Very low | 36.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | 76.5 | 160.9 | 89.1 | -61.1 | 175.3 | 121.8 | -146.2 | 0 | 114.1 | |||||
| 715 | E | 29.3 | Very low | 36.3 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -139.5 | 135.4 | 16.3 | -80.6 | -164.6 | 152.1 | 0 | 0 | 111.5 | ||||
| 716 | L | 34 | Very low | 37 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | 80.5 | 160.5 | 94 | -65.2 | 175.4 | 0 | 0 | 0 | 116.8 | |||||
| 717 | P | 55 | Low | 36.9 | Very low | 99 Ų | 99 | 140 Ų | 140 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | cis | -140.9 | 157.8 | -23 | 32.5 | -12.2 | 0 | 0 | 0 | 118.3 | ||||
| 718 | M | 31.5 | Very low | 37.5 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | 62.7 | 162 | 144.7 | -70.9 | 163.4 | 61.7 | 0 | 0 | 120.6 | ||||
| 719 | Q | 28.4 | Very low | 36.6 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -146.5 | -169.5 | 17.8 | -146.6 | 166.5 | 17.8 | 0 | 0 | 114.3 | ||||
| 720 | K | 27.9 | Very low | 35.4 | Very low | 196 Ų | 196 | 133.8 Ų | 133.8 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | trans | -168.2 | -178.3 | -167.1 | -121.5 | 179.5 | -178.9 | 179.8 | 0 | 110.6 | ||||
| 721 | P | 51.8 | Low | 34.7 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | cis | -143.7 | 173.9 | -8.9 | 39.8 | -19.3 | 0 | 0 | 0 | 119.1 | ||||
| 722 | S | 27.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 64.6 | 153.6 | 138.4 | 64 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 723 | Q | 28.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 119.9 | 139.2 | 126.8 | -114.8 | 178 | 2.1 | 0 | 0 | 122.2 | |||||
| 724 | N | 27.8 | Very low | 36.9 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 107.3 | 144.4 | 149.2 | -61.9 | -17 | 0 | 0 | 0 | 123.2 | ||||
| 725 | A | 25.3 | Very low | 36.9 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -128 | 171 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 726 | P | 42.3 | Very low | 37 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | -131 | 170 | 80.8 | 11 | 13.9 | 0 | 0 | 0 | 112.5 | |||||
| 727 | E | 33 | Very low | 36.8 | Very low | 188 Ų | 188 | 122.3 Ų | 122.3 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | cis | 79.7 | 136.6 | 39.6 | -158 | 177.5 | -135 | 0 | 0 | 114 | ||||
| 728 | A | 36.5 | Very low | 35.6 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -103 | -145.1 | 2.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 729 | A | 36.2 | Very low | 35.4 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | cis | -166.4 | 168.2 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 730 | A | 35.6 | Very low | 35.5 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -173.7 | -173.5 | -21.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 731 | A | 35.6 | Very low | 35.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 75.9 | 150.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 732 | P | 59.8 | Low | 34.6 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -128.4 | -166.3 | -150.3 | 45.9 | -28.9 | 0 | 0 | 0 | 113.7 | ||||
| 733 | P | 59.4 | Low | 34.8 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -137.1 | 168.5 | 3.9 | 40.3 | -20.1 | 0 | 0 | 0 | 120.1 | ||||
| 734 | T | 35.8 | Very low | 34.9 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -30.2 | 162 | 168 | 52.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 735 | G | 33.3 | Very low | 35.2 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | 171.9 | -156.2 | 8.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 736 | V | 32.1 | Very low | 35.4 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | cis | -164.9 | 163.9 | -2.5 | -159.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 737 | A | 29.5 | Very low | 35 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 169.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 738 | Y | 30.9 | Very low | 35 | Very low | 206 Ų | 206 | 131 Ų | 131 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | cis | -177.7 | 164 | -43.7 | -85.4 | -43.1 | 0 | 0 | 0 | 108.4 | ||||
| 739 | Q | 26.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | -169.4 | 168.6 | -17.2 | 175.4 | 167.3 | -98.7 | 0 | 0 | 109.7 | ||||
| 740 | H | 30 | Very low | 34.6 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -55 | 152.9 | 173.7 | -76.3 | -74.4 | 0 | 0 | 0 | 115.7 | ||||
| 741 | Q | 25.1 | Very low | 34.5 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | -177.3 | 171.1 | 119.2 | -103 | -179.8 | 12.3 | 0 | 0 | 115.7 | |||||
| 742 | K | 36.7 | Very low | 34.3 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -107.3 | 158.1 | 172.6 | -71.3 | -176.3 | 176.6 | -177.7 | 0 | 111.4 | ||||
| 743 | T | 30.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -135.1 | -171.6 | -179.3 | 37.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 744 | L | 31.1 | Very low | 31.6 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -149.6 | 164 | -160.3 | -67.8 | 175.1 | 0 | 0 | 0 | 110.6 | ||||
| 745 | S | 33.5 | Very low | 31.5 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -176.6 | 175 | -22.4 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 746 | N | 30.1 | Very low | 31.6 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 140 | 149.7 | 143.1 | -68.1 | -13.1 | 0 | 0 | 0 | 116.5 | ||||
| 747 | A | 34.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -125.6 | 164.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 748 | T | 32.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -176.6 | 113.4 | 155.1 | -70.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 749 | M | 34.2 | Very low | 32 | Very low | 153 Ų | 153 | 143 Ų | 143 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | 91 | 116.1 | 50 | -168 | -168.8 | 87.3 | 0 | 0 | 113.5 | ||||
| 750 | L | 29.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 155.8 | 116.5 | 139.9 | -82.5 | 164.9 | 0 | 0 | 0 | 116.1 | ||||
| 751 | I | 32.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 68% | 0.677 | 77% | 0.765 | S | S | * | * | trans | 64.4 | 110.2 | 130.4 | -65.1 | -173.6 | 0 | 0 | 0 | 123.2 | ||||
| 752 | H | 31.4 | Very low | 32.5 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | 47.3 | 144.8 | 130.5 | -62.5 | -70.4 | 0 | 0 | 0 | 123.4 | ||||
| 753 | S | 31.5 | Very low | 32.1 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | cis | -167.7 | 160.5 | 0.1 | -107.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 754 | S | 30.9 | Very low | 32 | Very low | 97 Ų | 97 | 145.5 Ų | 145.5 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 67.5 | 145.4 | 157.7 | -64.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 755 | E | 35.4 | Very low | 32.5 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | cis | -179.2 | 161.1 | -21.6 | -114.4 | 160.2 | 134 | 0 | 0 | 107.2 | ||||
| 756 | S | 33.9 | Very low | 32 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | cis | -144.7 | -172.2 | -1.9 | 59.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 757 | E | 32.8 | Very low | 31.8 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | -155.1 | -172.6 | 11.4 | -145.7 | 146.9 | -57 | 0 | 0 | 110.7 | ||||
| 758 | E | 35 | Very low | 31.4 | Very low | 111 Ų | 111 | 148.5 Ų | 148.5 | 52% | 0.519 | 75% | 0.75 | S | S | . | * | trans | -91 | 148.8 | -167.7 | -59 | 153.1 | -150.8 | 0 | 0 | 113 | R689 | R689-E758 IonicContact CZ-OE1 3.14Å; R689-E758 IonicContact CZ-OE2 3.49Å; R689-E758 IonicContact NH1-OE1 2.73Å; R689-E758 PolarHBondContact NH1-OE1 3.28Å; R689-E758 IonicContact NH1-OE2 3.78Å; R689-E758 IonicContact NH2-OE1 2.73Å; R689-E758 PolarHBondContact NH2-OE1 3.4Å; R689-E758 IonicContact NH2-OE2 2.75Å; R689-E758 PolarHBondContact NH2-OE2 3.06Å | ||
| 759 | E | 34.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 149 Ų | 149 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | cis | -174.2 | 163.5 | -18.6 | -108.3 | 149.8 | -142.5 | 0 | 0 | 109.1 | ||||
| 760 | E | 31.7 | Very low | 30.7 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -151 | -165.8 | -174.6 | -141.2 | 171.2 | 122.7 | 0 | 0 | 115.4 | ||||
| 761 | E | 31.4 | Very low | 30.5 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | 76 | 173 | -175.9 | -51.5 | -153.3 | 76.4 | 0 | 0 | 116.4 | ||||
| 762 | E | 28.4 | Very low | 30.3 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | cis | -153.4 | -170.9 | 16.2 | -156.1 | -169.3 | 169.2 | 0 | 0 | 111.3 | ||||
| 763 | E | 29.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | trans | -120.8 | 122.3 | 176.3 | -178.1 | 175.6 | -158.7 | 0 | 0 | 116.1 | ||||
| 764 | R | 28.3 | Very low | 30.4 | Very low | 217 Ų | 217 | 148 Ų | 148 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | trans | 68.1 | 167.9 | 159.5 | -75.4 | 175.9 | -158 | -113.2 | 0.1 | 118.2 | ||||
| 765 | P | 40.2 | Very low | 30.4 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -133.2 | -165.9 | 12.7 | 44.3 | -26.4 | 0 | 0 | 0 | 117.2 | ||||
| 766 | E | 24 | Very low | 30.2 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 69.5 | 149.8 | 172.7 | -69.5 | -176.1 | -165.8 | 0 | 0 | 117.1 | ||||
| 767 | L | 26.2 | Very low | 30.3 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | cis | -145.9 | 169 | 5.3 | -129.4 | 167.2 | 0 | 0 | 0 | 110.2 | ||||
| 768 | D | 26.1 | Very low | 30.6 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | trans | -96.9 | 130.1 | -163.2 | -156 | -9.1 | 0 | 0 | 0 | 115 | ||||
| 769 | V | 25.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | -148.4 | 116.9 | 159.8 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 770 | Q | 25.8 | Very low | 30.7 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -87.2 | 135.9 | -178.2 | -62.4 | 177.2 | -3.6 | 0 | 0 | 113.5 | ||||
| 771 | I | 26.6 | Very low | 31.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | trans | -138.4 | 115.7 | 154.2 | -56.4 | -178.5 | 0 | 0 | 0 | 108.1 | ||||
| 772 | P | 28.3 | Very low | 31.5 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | trans | -95.1 | 157.9 | -171.9 | 35.6 | -35.7 | 0 | 0 | 0 | 114.9 | ||||
| 773 | G | 30.5 | Very low | 32 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | trans | 103.3 | 104.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 774 | L | 34.4 | Very low | 32.8 | Very low | 155 Ų | 155 | 117 Ų | 117 | 81% | 0.812 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -175.2 | -28.1 | 150.6 | -110.4 | 166 | 0 | 0 | 0 | 114 | D776 | L774-D776 PolarHBondContact N-OD2 3.03Š|
| 775 | N | 30.5 | Very low | 33.7 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -91.6 | -10.5 | -172.8 | -82.6 | -9.7 | 0 | 0 | 0 | 115 | N777 I778 | N775-N777 VanDerWaalsContact C-N 3.33Å; N775-N777 PolarHBondContact O-N 2.91Å; N775-I778 PolarHBondContact O-N 3.41Å |
| 776 | D | 30.2 | Very low | 33.6 | Very low | 95 Ų | 95 | 108 Ų | 108 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.5 | -34 | -163.2 | -47.8 | -78.5 | 0 | 0 | 0 | 113.2 | L774 I778 S779 I780 | L774-D776 PolarHBondContact N-OD2 3.03Å; D776-I778 PolarHBondContact O-N 3.28Å; D776-I778 VanDerWaalsContact O-N 3.17Å; D776-S779 PolarHBondContact O-N 3.38Å; D776-I780 HydrophobicContact CB-CD1 4.31Å; D776-I780 WeakPolarHBondContact O-CG1 3.5Å; D776-I780 PolarHBondContact O-N 3.07Å |
| 777 | N | 36.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 101.3 Ų | 101.3 | 68% | 0.679 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.7 | -33.7 | 179.2 | -70.3 | -47 | 0 | 0 | 0 | 113.7 | N775 S781 | N775-N777 VanDerWaalsContact C-N 3.33Å; N775-N777 PolarHBondContact O-N 2.91Å; N777-S781 WeakPolarHBondContact O-CB 3.44Å; N777-S781 PolarHBondContact O-N 2.88Å; N777-S781 VanDerWaalsContact O-N 3.09Å; N777-S781 PolarHBondContact O-OG 3.28Å |
| 778 | I | 38.2 | Very low | 35.1 | Very low | 127 Ų | 127 | 95 Ų | 95 | 65% | 0.651 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -47 | -178.5 | -60.2 | 177.3 | 0 | 0 | 0 | 109.7 | N775 D776 S781 A782 | N775-I778 PolarHBondContact O-N 3.41Å; D776-I778 PolarHBondContact O-N 3.28Å; D776-I778 VanDerWaalsContact O-N 3.17Å; I778-S781 PolarHBondContact O-N 2.94Å; I778-S781 PolarHBondContact O-OG 3.39Å; I778-A782 PolarHBondContact O-N 2.93Å |
| 779 | S | 32.3 | Very low | 35.6 | Very low | 71 Ų | 71 | 93.2 Ų | 93.2 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 179.1 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | D776 S781 A782 Q783 | D776-S779 PolarHBondContact O-N 3.38Å; S779-S781 VanDerWaalsContact C-N 3.34Å; S779-S781 PolarHBondContact O-N 3.46Å; S779-A782 PolarHBondContact O-N 2.92Å; S779-A782 VanDerWaalsContact O-N 3.07Å; S779-Q783 PolarHBondContact O-N 3Å |
| 780 | I | 39.8 | Very low | 36 | Very low | 66 Ų | 66 | 94.3 Ų | 94.3 | 34% | 0.338 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 178.8 | -65.8 | 166.5 | 0 | 0 | 0 | 110.6 | V172 D776 A782 Q783 L784 | V172-I780 HydrophobicContact CB-CG2 3.86Å; V172-I780 HydrophobicContact CG1-CG2 4.39Å; V172-I780 HydrophobicContact CG2-CG2 3.48Å; V172-I780 VanDerWaalsContact CG2-CG2 3.48Å; D776-I780 HydrophobicContact CB-CD1 4.31Å; D776-I780 WeakPolarHBondContact O-CG1 3.5Å; D776-I780 PolarHBondContact O-N 3.07Å; I780-A782 PolarHBondContact O-N 3.49Å; I780-Q783 PolarHBondContact O-N 3.02Å; I780-L784 WeakPolarHBondContact O-CB 3.48Å; I780-L784 PolarHBondContact O-N 2.83Å |
| 781 | S | 42.8 | Very low | 36.4 | Very low | 51 Ų | 51 | 88.9 Ų | 88.9 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -28.4 | 177.9 | 80.6 | 0 | 0 | 0 | 0 | 113.6 | N777 I778 S779 Q785 | N777-S781 WeakPolarHBondContact O-CB 3.44Å; N777-S781 PolarHBondContact O-N 2.88Å; N777-S781 VanDerWaalsContact O-N 3.09Å; N777-S781 PolarHBondContact O-OG 3.28Å; I778-S781 PolarHBondContact O-N 2.94Å; I778-S781 PolarHBondContact O-OG 3.39Å; S779-S781 VanDerWaalsContact C-N 3.34Å; S779-S781 PolarHBondContact O-N 3.46Å; S781-Q785 WeakPolarHBondContact O-CB 3.49Å; S781-Q785 WeakPolarHBondContact O-CG 3.18Å; S781-Q785 PolarHBondContact O-N 2.82Å; S781-Q785 VanDerWaalsContact O-N 3.09Å; S781-Q785 PolarHBondContact O-NE2 3.32Å |
| 782 | A | 37.9 | Very low | 36.6 | Very low | 55 Ų | 55 | 84.6 Ų | 84.6 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80.8 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I778 S779 I780 Q785 A786 | I778-A782 PolarHBondContact O-N 2.93Å; S779-A782 PolarHBondContact O-N 2.92Å; S779-A782 VanDerWaalsContact O-N 3.07Å; I780-A782 PolarHBondContact O-N 3.49Å; A782-Q785 PolarHBondContact O-N 3.19Å; A782-A786 WeakPolarHBondContact O-CB 3.41Å; A782-A786 PolarHBondContact O-N 3.42Å |
| 783 | Q | 39.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 86.5 Ų | 86.5 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 172.3 | -78.2 | -175.7 | -38.7 | 0 | 0 | 111.6 | S779 I780 A786 A787 | S779-Q783 PolarHBondContact O-N 3Å; I780-Q783 PolarHBondContact O-N 3.02Å; Q783-A786 CarbonylContact O-C 3.57Å; Q783-A786 PolarHBondContact O-N 2.96Å; Q783-A787 PolarHBondContact O-N 3.21Å |
| 784 | L | 45.8 | Very low | 36.8 | Very low | 10 Ų | 10 | 90.5 Ų | 90.5 | 5% | 0.052 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176 | -177.5 | 58.4 | 0 | 0 | 0 | 112.1 | D130 V168 V172 I780 A786 A787 L788 | D130-L784 WeakPolarHBondContact OD1-CD2 3.35Å; V168-L784 HydrophobicContact CG1-CD1 3.84Å; V172-L784 HydrophobicContact CG1-CB 4.15Å; V172-L784 HydrophobicContact CG1-CD1 3.82Å; V172-L784 HydrophobicContact CG1-CD2 3.81Å; V172-L784 HydrophobicContact CG1-CG 4.13Å; I780-L784 WeakPolarHBondContact O-CB 3.48Å; I780-L784 PolarHBondContact O-N 2.83Å; L784-A786 VanDerWaalsContact C-N 3.31Å; L784-A786 PolarHBondContact O-N 2.64Å; L784-A787 PolarHBondContact O-N 3.22Å; L784-L788 HydrophobicContact CD1-CD1 4.05Å; L784-L788 HydrophobicContact CD1-CG 3.99Å; L784-L788 HydrophobicContact CG-CD1 3.89Å; L784-L788 HydrophobicContact CG-CG 4.28Å; L784-L788 WeakPolarHBondContact O-CB 3.46Å; L784-L788 WeakPolarHBondContact O-CG 3.5Å; L784-L788 PolarHBondContact O-N 2.97Å |
| 785 | Q | 45.8 | Very low | 36.5 | Very low | 80 Ų | 80 | 88.6 Ų | 88.6 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 172.2 | -80.2 | 168.2 | 72.4 | 0 | 0 | 112.4 | S781 A782 A787 A789 | S781-Q785 WeakPolarHBondContact O-CB 3.49Å; S781-Q785 WeakPolarHBondContact O-CG 3.18Å; S781-Q785 PolarHBondContact O-N 2.82Å; S781-Q785 VanDerWaalsContact O-N 3.09Å; S781-Q785 PolarHBondContact O-NE2 3.32Å; A782-Q785 PolarHBondContact O-N 3.19Å; Q785-A787 VanDerWaalsContact C-N 3.32Å; Q785-A789 WeakPolarHBondContact O-CB 3.08Å; Q785-A789 PolarHBondContact O-N 3.13Å |
| 786 | A | 39.7 | Very low | 36.6 | Very low | 60 Ų | 60 | 86.9 Ų | 86.9 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73 | -21.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A782 Q783 L784 | A782-A786 WeakPolarHBondContact O-CB 3.41Å; A782-A786 PolarHBondContact O-N 3.42Å; Q783-A786 CarbonylContact O-C 3.57Å; Q783-A786 PolarHBondContact O-N 2.96Å; L784-A786 VanDerWaalsContact C-N 3.31Å; L784-A786 PolarHBondContact O-N 2.64Å |
| 787 | A | 40 | Very low | 36.6 | Very low | 34 Ų | 34 | 85.9 Ų | 85.9 | 28% | 0.281 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -83.8 | -46.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V168 Q783 L784 Q785 A789 K790 | V168-A787 HydrophobicContact CG2-CB 3.78Å; Q783-A787 PolarHBondContact O-N 3.21Å; L784-A787 PolarHBondContact O-N 3.22Å; Q785-A787 VanDerWaalsContact C-N 3.32Å; A787-A789 PolarHBondContact O-N 3.1Å; A787-K790 WeakPolarHBondContact O-CB 3.22Å; A787-K790 PolarHBondContact O-N 2.95Å |
| 788 | L | 40.2 | Very low | 36.3 | Very low | 26 Ų | 26 | 88.9 Ų | 88.9 | 14% | 0.136 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.3 | -27.2 | 175.3 | -66.7 | 172.2 | 0 | 0 | 0 | 112.3 | V168 L784 K790 L791 | V168-L788 HydrophobicContact CB-CD2 4.15Å; V168-L788 HydrophobicContact CG2-CD2 4.01Å; V168-L788 HydrophobicContact CG2-CG 4.49Å; L784-L788 HydrophobicContact CD1-CD1 4.05Å; L784-L788 HydrophobicContact CD1-CG 3.99Å; L784-L788 HydrophobicContact CG-CD1 3.89Å; L784-L788 HydrophobicContact CG-CG 4.28Å; L784-L788 WeakPolarHBondContact O-CB 3.46Å; L784-L788 WeakPolarHBondContact O-CG 3.5Å; L784-L788 PolarHBondContact O-N 2.97Å; L788-K790 PolarHBondContact O-N 3.37Å; L788-L791 HydrophobicContact CB-CD1 4.5Å; L788-L791 HydrophobicContact CD2-CD1 4.02Å; L788-L791 WeakPolarHBondContact O-CB 3.25Å; L788-L791 VanDerWaalsContact O-CG 3.25Å; L788-L791 WeakPolarHBondContact O-CG 3.39Å; L788-L791 PolarHBondContact O-N 3.03Å |
| 789 | A | 36.6 | Very low | 35.7 | Very low | 85 Ų | 85 | 88.7 Ų | 88.7 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q785 A787 | Q785-A789 WeakPolarHBondContact O-CB 3.08Å; Q785-A789 PolarHBondContact O-N 3.13Å; A787-A789 PolarHBondContact O-N 3.1Å |
| 790 | K | 33.8 | Very low | 35.7 | Very low | 161 Ų | 161 | 90.9 Ų | 90.9 | 70% | 0.7 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 0.9 | 171.7 | -62 | 179.7 | 179.9 | -176.8 | 0 | 113.5 | A787 L788 | A787-K790 WeakPolarHBondContact O-CB 3.22Å; A787-K790 PolarHBondContact O-N 2.95Å; L788-K790 PolarHBondContact O-N 3.37Å |
| 791 | L | 35.5 | Very low | 35 | Very low | 49 Ų | 49 | 90.9 Ų | 90.9 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -57.4 | 133 | 173.5 | -68.1 | 174.4 | 0 | 0 | 0 | 109.9 | Y167 L788 N793 | Y167-L791 HydrophobicContact CD2-CD2 3.29Å; Y167-L791 HydrophobicContact CE2-CD2 3.53Å; Y167-L791 HydrophobicContact CG-CD2 4.36Å; L788-L791 HydrophobicContact CB-CD1 4.5Å; L788-L791 HydrophobicContact CD2-CD1 4.02Å; L788-L791 WeakPolarHBondContact O-CB 3.25Å; L788-L791 VanDerWaalsContact O-CG 3.25Å; L788-L791 WeakPolarHBondContact O-CG 3.39Å; L788-L791 PolarHBondContact O-N 3.03Å; L791-N793 PolarHBondContact O-N 3.23Å |
| 792 | P | 31.2 | Very low | 34.4 | Very low | 74 Ų | 74 | 94.8 Ų | 94.8 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | trans | -69.7 | 118.7 | 179.2 | 27.7 | -33.8 | 0 | 0 | 0 | 109.9 | F152 K794 | F152-P792 HydrophobicContact CE1-CG 3.84Å; F152-P792 HydrophobicContact CZ-CG 4.26Å; P792-K794 VanDerWaalsContact C-N 3.29Å; P792-K794 PolarHBondContact O-N 3Å | ||
| 793 | N | 30.5 | Very low | 34.8 | Very low | 162 Ų | 162 | 97.7 Ų | 97.7 | 87% | 0.866 | 57% | 0.566 | S | S | * | * | trans | -65.8 | 84 | 175.6 | -76.3 | -29 | 0 | 0 | 0 | 111.3 | L791 | L791-N793 PolarHBondContact O-N 3.23Š| ||
| 794 | K | 31.5 | Very low | 34.2 | Very low | 143 Ų | 143 | 102.3 Ų | 102.3 | 62% | 0.622 | 58% | 0.577 | S | S | * | * | trans | -109.6 | 137 | 166 | -70.1 | -173.9 | 176.6 | -177.4 | 0 | 109.5 | P792 | P792-K794 VanDerWaalsContact C-N 3.29Å; P792-K794 PolarHBondContact O-N 3Å | ||
| 795 | P | 28.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 108.1 Ų | 108.1 | 74% | 0.74 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 154 | 169.2 | 31.2 | -34.5 | 0 | 0 | 0 | 110.6 | ||
| 796 | P | 31.7 | Very low | 32.7 | Very low | 96 Ų | 96 | 112.4 Ų | 112.4 | 62% | 0.623 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 153.3 | 177.1 | 28.9 | -35.2 | 0 | 0 | 0 | 112 | ||
| 797 | P | 30.2 | Very low | 32.2 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -68.1 | 142.7 | 176.1 | -16.6 | 29.7 | 0 | 0 | 0 | 113.2 | P200 | P200-P797 HydrophobicContact CG-CG 4.25Š|
| 798 | E | 30.2 | Very low | 31.7 | Very low | 191 Ų | 191 | 114 Ų | 114 | 89% | 0.893 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.7 | 168.8 | -67.7 | -173.8 | 119.2 | 0 | 0 | 111.9 | P800 | E798-P800 WeakPolarHBondContact O-CD 3.4Š|
| 799 | Y | 26.2 | Very low | 31.4 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 48% | 0.482 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 123.4 | 179.7 | -107.7 | -86.8 | 0 | 0 | 0 | 112.4 | E114 P199 A201 | E114-Y799 WeakPolarHBondContact OE1-CE2 3.43Å; P199-Y799 HydrophobicContact CB-CD1 4.27Å; P199-Y799 HydrophobicContact CB-CE1 3.48Å; P199-Y799 VanDerWaalsContact CB-CE1 3.48Å; P199-Y799 HydrophobicContact CB-CE2 4.37Å; P199-Y799 HydrophobicContact CG-CE1 3.67Å; P199-Y799 WeakPolarHBondContact CG-OH 3.2Å; A201-Y799 HydrophobicContact CB-CE2 3.92Å |
| 800 | P | 32 | Very low | 31.2 | Very low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 135.5 | -177.6 | 32.3 | -34 | 0 | 0 | 0 | 114.5 | E798 | E798-P800 WeakPolarHBondContact O-CD 3.4Š|
| 801 | G | 24.7 | Very low | 31.1 | Very low | 65 Ų | 65 | 117.3 Ų | 117.3 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 169.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 802 | P | 30.3 | Very low | 30.8 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 87% | 0.87 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 147.4 | -157.8 | 29.2 | -36.1 | 0 | 0 | 0 | 116.8 | ||
| 803 | P | 45.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | trans | -110.8 | 165.9 | -173.2 | 41.6 | -37 | 0 | 0 | 0 | 116.2 | ||||
| 804 | R | 27.8 | Very low | 31.3 | Very low | 235 Ų | 235 | 124.5 Ų | 124.5 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | trans | 177.4 | 147.8 | 159.2 | -99.8 | 143.6 | -163.6 | -119.9 | 1.8 | 111.2 | ||||
| 805 | T | 25.4 | Very low | 31.2 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 82% | 0.816 | 71% | 0.712 | S | S | * | * | cis | -162.9 | 163.4 | -14 | 5.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 806 | N | 35.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 90% | 0.904 | 72% | 0.715 | S | S | * | * | trans | -94 | 156.5 | -176.1 | -80.3 | -28 | 0 | 0 | 0 | 116.2 | ||||
| 807 | A | 27.9 | Very low | 31.3 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | trans | -176.5 | 139.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 808 | G | 30.4 | Very low | 31.3 | Very low | 39 Ų | 39 | 126.9 Ų | 126.9 | 40% | 0.402 | 73% | 0.734 | S | S | . | * | cis | 133.9 | 103.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R943 | G808-R943 VanDerWaalsContact C-NE 3.3Å; G808-R943 PolarHBondContact O-NE 2.92Å; G808-R943 PolarHBondContact O-NH1 3.31Å; G808-R943 VanDerWaalsContact O-NH1 3.17Å; G808-R943 PolarHBondContact O-NH2 2.74Å | ||
| 809 | S | 32.5 | Very low | 31.3 | Very low | 53 Ų | 53 | 122 Ų | 122 | 37% | 0.371 | 73% | 0.727 | S | S | . | * | trans | 103 | 116.3 | 161.9 | -156.7 | 0 | 0 | 0 | 0 | 123.4 | R943 | S809-R943 VanDerWaalsContact O-CZ 3.27Å; S809-R943 PolarHBondContact O-NE 2.63Å; S809-R943 PolarHBondContact O-NH2 3.4Å | ||
| 810 | Q | 34.1 | Very low | 31.5 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 56.2 | 176.4 | 124.9 | -52.9 | 172.1 | 9.5 | 0 | 0 | 122.3 | |||||
| 811 | I | 31.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 65% | 0.646 | 75% | 0.745 | S | S | * | * | cis | -155.9 | 141.2 | 32 | -75.8 | -176.4 | 0 | 0 | 0 | 115.5 | ||||
| 812 | R | 28.7 | Very low | 31.8 | Very low | 244 Ų | 244 | 132.1 Ų | 132.1 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | 49.4 | 160.7 | 155.8 | -66.8 | 165.2 | -175.4 | 166.5 | -0.1 | 121.2 | ||||
| 813 | G | 26.4 | Very low | 31.9 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | 143.2 | -178.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 814 | P | 45.4 | Very low | 31 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | cis | -138.1 | -159.9 | -35.1 | 43.1 | -24.6 | 0 | 0 | 0 | 114.2 | ||||
| 815 | S | 29.8 | Very low | 30.9 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 85.7 | 147.6 | 159.5 | 83.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 816 | H | 33.2 | Very low | 31 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | cis | -168.8 | 145.2 | -21.6 | -122.4 | -81.5 | 0 | 0 | 0 | 113.1 | ||||
| 817 | S | 29 | Very low | 30.5 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | trans | 41.1 | 157.5 | 147.7 | 46.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 818 | A | 31 | Very low | 31.7 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | cis | -175.8 | 162 | -18.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 819 | A | 28.9 | Very low | 31.6 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | 76.8 | 155.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 820 | H | 30.5 | Very low | 31.6 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | 93 | 167.8 | 159.8 | -73.4 | -67.9 | 0 | 0 | 0 | 123 | ||||
| 821 | H | 30.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -131.7 | 157.4 | -141 | -101.4 | -77.4 | 0 | 0 | 0 | 115.9 | ||||
| 822 | H | 32.4 | Very low | 31.4 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 81.8 | 149.8 | 149.8 | -82.2 | -39.8 | 0 | 0 | 0 | 123.1 | ||||
| 823 | N | 31.6 | Very low | 31.4 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -80.8 | 162.2 | -160.3 | -48.9 | -7.8 | 0 | 0 | 0 | 115.1 | ||||
| 824 | H | 29 | Very low | 32.7 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -156.2 | 104.6 | 130.7 | -112.6 | -62.5 | 0 | 0 | 0 | 114 | ||||
| 825 | D | 25.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | trans | 25.7 | 152.6 | 136.1 | -98 | -44.3 | 0 | 0 | 0 | 127.8 | ||||
| 826 | L | 27.4 | Very low | 31.9 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | 71 | 106.5 | 148.8 | -64.8 | 164.5 | 0 | 0 | 0 | 120.2 | ||||
| 827 | T | 23.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | 79.2 | 175.5 | 76.9 | 66.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 828 | P | 52.9 | Low | 32 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | cis | -139.6 | -168.2 | 1.2 | 25.8 | 2.2 | 0 | 0 | 0 | 117.7 | ||||
| 829 | H | 29.8 | Very low | 32 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | 81.5 | 141.5 | 159.7 | -62.4 | -57.3 | 0 | 0 | 0 | 119.8 | ||||
| 830 | C | 31.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | cis | -167.1 | -174.2 | -17.2 | -115.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 831 | N | 28.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 58% | 0.578 | 73% | 0.73 | S | S | * | * | cis | -159.5 | 139.2 | 9.5 | -143.7 | 34.1 | 0 | 0 | 0 | 113.1 | ||||
| 832 | Q | 32.9 | Very low | 32 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | 40.2 | 143.7 | 129.1 | -60.9 | 173.5 | -0.5 | 0 | 0 | 122.8 | |||||
| 833 | G | 28.6 | Very low | 31.8 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | cis | 173.9 | -158.2 | 1.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 834 | P | 55.2 | Low | 31.5 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -141.2 | -176.9 | -12.4 | 44.6 | -27.2 | 0 | 0 | 0 | 116 | ||||
| 835 | M | 29.1 | Very low | 31.3 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | 71.2 | 143.5 | 157 | -70.4 | 172.7 | 178.9 | 0 | 0 | 121.5 | ||||
| 836 | D | 29.7 | Very low | 32.8 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | cis | -166.8 | 147.3 | -24.7 | -114.5 | 3.7 | 0 | 0 | 0 | 113.4 | ||||
| 837 | L | 33.3 | Very low | 33 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | 45.6 | 150 | 138.5 | -52.8 | 175.1 | 0 | 0 | 0 | 122.1 | ||||
| 838 | T | 30.5 | Very low | 33.4 | Very low | 106 Ų | 106 | 122 Ų | 122 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -175.9 | 169.6 | 0.3 | 19.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 839 | L | 30.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 70.7 | 153.5 | 148.8 | -68.6 | 151.6 | 0 | 0 | 0 | 120 | ||||
| 840 | T | 31.3 | Very low | 32.4 | Very low | 105 Ų | 105 | 119.5 Ų | 119.5 | 64% | 0.644 | 78% | 0.775 | S | S | * | * | cis | -171.6 | 152.3 | -41.7 | 20.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 841 | Q | 30.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 118.3 Ų | 118.3 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | 58.6 | 151.7 | 149.6 | -67.9 | 179.7 | -8.5 | 0 | 0 | 122.3 | ||||
| 842 | G | 27.7 | Very low | 32.4 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 159 | 127.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 843 | V | 28.8 | Very low | 32.2 | Very low | 153 Ų | 153 | 114.2 Ų | 114.2 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | trans | -107.6 | 130.8 | -171.1 | 172.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 844 | G | 25.6 | Very low | 32.1 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 50.8 | 127.1 | 132.5 | 0 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 845 | G | 23.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 114 Ų | 114 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 103.6 | 179 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 846 | P | 56.9 | Low | 30.8 | Very low | 124 Ų | 124 | 110.2 Ų | 110.2 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | -145.6 | -175.2 | -67.1 | 43.2 | -27.1 | 0 | 0 | 0 | 117 | |||||
| 847 | V | 32.5 | Very low | 30.7 | Very low | 135 Ų | 135 | 110.7 Ų | 110.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 91.2 | 124.6 | 152.1 | 172.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 848 | A | 33 | Very low | 30.5 | Very low | 103 Ų | 103 | 111.4 Ų | 111.4 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | 57.3 | 153.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 849 | G | 30.6 | Very low | 30.5 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 153.7 | 126.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 850 | S | 30.8 | Very low | 30.7 | Very low | 130 Ų | 130 | 117 Ų | 117 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -92.4 | 149 | -166 | -42.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 851 | G | 29.6 | Very low | 30.6 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 85% | 0.853 | S | S | * | * | 79.8 | 137.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 852 | A | 30.6 | Very low | 31 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 93% | 0.934 | 85% | 0.85 | S | S | * | * | trans | 92.9 | 120 | 141.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 853 | G | 28.5 | Very low | 31.4 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | 96.9 | 114.2 | 107.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 854 | G | 26.5 | Very low | 32 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | trans | 82.5 | 144.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 855 | G | 29.6 | Very low | 32.6 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | -121.5 | 158.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 856 | G | 27.4 | Very low | 33.6 | Very low | 84 Ų | 84 | 120 Ų | 120 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | -160.8 | 134.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 857 | T | 27.7 | Very low | 32.8 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 82% | 0.816 | 85% | 0.85 | S | S | * | * | trans | -95.3 | 138.2 | 178.5 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 858 | L | 27.7 | Very low | 33.1 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 80% | 0.801 | 85% | 0.851 | S | S | * | * | trans | 166.3 | 156.8 | 131.1 | -90.4 | 163.7 | 0 | 0 | 0 | 115.9 | ||||
| 859 | T | 30.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 119.2 Ų | 119.2 | 74% | 0.742 | 85% | 0.85 | S | S | * | * | trans | 66.1 | 95 | 153.8 | 45.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 860 | R | 35.6 | Very low | 33.4 | Very low | 252 Ų | 252 | 121.7 Ų | 121.7 | 95% | 0.951 | 85% | 0.848 | S | S | * | * | 61 | 83.7 | 116.4 | -166.2 | -173.5 | -173.3 | 174.7 | 2.6 | 118.6 | |||||
| 861 | G | 29.3 | Very low | 33.5 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | trans | 171.7 | 167.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 862 | D | 38 | Very low | 33.3 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | trans | -86.4 | 161.8 | 169.9 | -73.7 | -59.9 | 0 | 0 | 0 | 112.1 | ||||
| 863 | Q | 37.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | 92.1 | 123.9 | 160.9 | -46.9 | -173.6 | 25.3 | 0 | 0 | 121.4 | ||||
| 864 | S | 39.6 | Very low | 34.3 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 60.5 | 121.1 | 141 | 61.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 865 | G | 39.6 | Very low | 34.4 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | 125.5 | 115.3 | 122 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 866 | V | 43.3 | Very low | 34.3 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | 80.6 | 126.7 | 137.8 | -171.3 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 867 | N | 41.9 | Very low | 34.4 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | 49.5 | 148.6 | 153.3 | -60.7 | -6.6 | 0 | 0 | 0 | 126.5 | ||||
| 868 | G | 37 | Very low | 35.6 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 160.7 | 161.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 869 | A | 36.1 | Very low | 35.7 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -164.8 | 166.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 870 | V | 35.6 | Very low | 35.7 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 95.6 | 121.8 | 155.2 | 175.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 871 | L | 31.4 | Very low | 35.4 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | 43.9 | 119.7 | 149.9 | -66.5 | 171 | 0 | 0 | 0 | 127.8 | ||||
| 872 | G | 26 | Very low | 35.3 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 174.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 873 | P | 53 | Low | 34.7 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | cis | -139.2 | 172.6 | -32.3 | 42.8 | -26.3 | 0 | 0 | 0 | 116.8 | ||||
| 874 | S | 26.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 67.7 | 142.2 | 148 | -90.9 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 875 | I | 28.8 | Very low | 33.5 | Very low | 151 Ų | 151 | 126 Ų | 126 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | 72.5 | 132 | 148.6 | 67.9 | 169 | 0 | 0 | 0 | 126.9 | ||||
| 876 | S | 27.7 | Very low | 32.9 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 68.4 | 113.6 | 136.1 | 62.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 877 | E | 29.1 | Very low | 32 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | 64.5 | 160.7 | 125.1 | -71.1 | -161 | 149.2 | 0 | 0 | 123.1 | |||||
| 878 | P | 54 | Low | 31.6 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | -138.3 | -168.7 | -35.8 | 38.9 | -21.5 | 0 | 0 | 0 | 114.6 | ||||
| 879 | D | 28.7 | Very low | 31.4 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 87.9 | 112.6 | 147 | -83.4 | 8.7 | 0 | 0 | 0 | 124.9 | ||||
| 880 | L | 31.5 | Very low | 31 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | 62 | 109.2 | 129.6 | -58.7 | 173.1 | 0 | 0 | 0 | 120.7 | |||||
| 881 | T | 29 | Very low | 32 | Very low | 148 Ų | 148 | 140.6 Ų | 140.6 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | -163.1 | 171.1 | 99.5 | 16.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 882 | S | 27.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -100 | 147.8 | -153.3 | 43 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 883 | V | 24.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | 55.9 | 117.9 | 139.7 | 177 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 884 | K | 24.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | 177.2 | 126 | 95.5 | -154.1 | 151 | -174.9 | 173.1 | 0 | 115.5 | |||||
| 885 | E | 27.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | trans | 40.5 | 145.4 | 135.6 | -145.4 | -162.2 | 144.9 | 0 | 0 | 122.6 | ||||
| 886 | R | 26.2 | Very low | 31.6 | Very low | 202 Ų | 202 | 150.4 Ų | 150.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | 85.3 | 159.1 | 160 | -49.4 | -164 | 172.6 | 154.4 | 14.5 | 117.3 | ||||
| 887 | V | 24.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | cis | -144.1 | 170.1 | 2.7 | 89.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 888 | R | 32.8 | Very low | 31.6 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 153.2 | 172.6 | -86.9 | 172.9 | 158.5 | 173.2 | -5.3 | 114 | ||||
| 889 | K | 33.4 | Very low | 30.9 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 49.5 | 132.7 | 142.7 | -70.5 | -174.3 | 162.9 | -155.9 | 0 | 119.5 | ||||
| 890 | E | 28.2 | Very low | 30.9 | Very low | 169 Ų | 169 | 154.3 Ų | 154.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | -173.6 | 168.9 | 106.8 | -88.7 | -77.8 | 103.6 | 0 | 0 | 107.9 | |||||
| 891 | P | 55.3 | Low | 30.9 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | trans | -134.5 | -177 | -149.6 | 46.5 | -32.7 | 0 | 0 | 0 | 118.1 | ||||
| 892 | V | 28.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 154 Ų | 154 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | trans | 70.2 | 116.2 | 159.5 | -177.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 893 | K | 27.7 | Very low | 32.2 | Very low | 211 Ų | 211 | 155.6 Ų | 155.6 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | -158.8 | 163.8 | 121 | -112.8 | 175.8 | -178.5 | -179.2 | 0 | 111.5 | |||||
| 894 | E | 30.3 | Very low | 32.8 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | -109.9 | 147.6 | -165.7 | -57.2 | -178 | 98.4 | 0 | 0 | 113.8 | ||||
| 895 | R | 27.8 | Very low | 33.6 | Very low | 224 Ų | 224 | 155.7 Ų | 155.7 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 37.8 | 145.8 | 133.9 | -75.7 | 175.2 | 174.4 | 166.9 | -3.7 | 120.4 | ||||
| 896 | P | 43.2 | Very low | 34.4 | Very low | 114 Ų | 114 | 153.5 Ų | 153.5 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | -149.2 | 173.7 | 51.9 | 42.1 | -21.8 | 0 | 0 | 0 | 119 | |||||
| 897 | V | 26.9 | Very low | 35.5 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 28.5 | 130.7 | 136.3 | -177.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 898 | S | 30.5 | Very low | 36.5 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | cis | -150.6 | 162.5 | 46.1 | -163.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 899 | E | 38.2 | Very low | 37.2 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | -67.5 | 155.7 | 164.4 | -51.9 | 164.6 | 133.4 | 0 | 0 | 113.2 | ||||
| 900 | M | 28.5 | Very low | 38 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | trans | -158.3 | 145.3 | 137.3 | -105.2 | 177.9 | 71 | 0 | 0 | 110.4 | ||||
| 901 | F | 32 | Very low | 38.7 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 74% | 0.737 | 72% | 0.719 | S | S | * | * | trans | -22.4 | 140.7 | 173.9 | -52.6 | -84 | 0 | 0 | 0 | 117.4 | ||||
| 902 | S | 47.3 | Very low | 38.5 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | cis | 61.2 | 93.9 | 14.2 | -164.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 903 | L | 37.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 71% | 0.712 | 70% | 0.701 | S | S | * | * | trans | -163.5 | -26.8 | 162.7 | -116.1 | 159.6 | 0 | 0 | 0 | 115.1 | ||||
| 904 | E | 38 | Very low | 40.3 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -87.3 | -34.3 | -164.7 | -69 | 168.5 | 130.7 | 0 | 0 | 115.1 | S906 I907 | E904-S906 PolarHBondContact O-N 2.9Å; E904-S906 VanDerWaalsContact O-N 3.14Å; E904-I907 PolarHBondContact O-N 2.98Å; E904-I907 VanDerWaalsContact O-N 3.1Å |
| 905 | D | 41.5 | Very low | 41 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60.1 | -28.7 | -178.4 | -66.8 | -46.9 | 0 | 0 | 0 | 113.8 | I907 V908 | D905-I907 PolarHBondContact O-N 2.98Å; D905-I907 VanDerWaalsContact O-N 3.16Å; D905-V908 PolarHBondContact O-N 3.05Å |
| 906 | S | 44.7 | Very low | 42.2 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 54% | 0.538 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.7 | -16.8 | 179.3 | -178.3 | 0 | 0 | 0 | 0 | 113.8 | E904 | E904-S906 PolarHBondContact O-N 2.9Å; E904-S906 VanDerWaalsContact O-N 3.14Å |
| 907 | I | 48.2 | Very low | 42.4 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 57% | 0.574 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.4 | -42 | -179.1 | -58.1 | 178.3 | 0 | 0 | 0 | 109.9 | E904 D905 R910 E911 | E904-I907 PolarHBondContact O-N 2.98Å; E904-I907 VanDerWaalsContact O-N 3.1Å; D905-I907 PolarHBondContact O-N 2.98Å; D905-I907 VanDerWaalsContact O-N 3.16Å; I907-R910 PolarHBondContact O-N 3.08Å; I907-E911 PolarHBondContact O-N 2.74Å |
| 908 | V | 45.4 | Very low | 43.3 | Very low | 84 Ų | 84 | 123 Ų | 123 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.6 | -44.9 | -176.3 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | D905 R910 E911 I912 | D905-V908 PolarHBondContact O-N 3.05Å; V908-R910 VanDerWaalsContact C-N 3.32Å; V908-R910 PolarHBondContact O-N 3.05Å; V908-E911 PolarHBondContact O-N 3.31Å; V908-I912 HydrophobicContact CG1-CD1 3.9Å; V908-I912 WeakPolarHBondContact O-CG1 3.41Å; V908-I912 PolarHBondContact O-N 3.03Å |
| 909 | E | 49 | Very low | 44 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.8 | -40.3 | 174.6 | -74.2 | -159.2 | 128.9 | 0 | 0 | 112.2 | I912 A913 | E909-I912 PolarHBondContact O-N 3.36Å; E909-A913 WeakPolarHBondContact O-CB 3.38Å; E909-A913 PolarHBondContact O-N 3.25Å |
| 910 | R | 49.1 | Very low | 44.2 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.2 | -42.4 | 177.7 | 177.6 | 174 | -79.1 | 168.7 | -3.5 | 111.6 | I907 V908 A913 Q914 | I907-R910 PolarHBondContact O-N 3.08Å; V908-R910 VanDerWaalsContact C-N 3.32Å; V908-R910 PolarHBondContact O-N 3.05Å; R910-A913 PolarHBondContact O-N 3.11Å; R910-Q914 VanDerWaalsContact O-CB 3.29Å; R910-Q914 WeakPolarHBondContact O-CB 3.44Å; R910-Q914 PolarHBondContact O-N 3.19Å |
| 911 | E | 43.5 | Very low | 44.9 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 40% | 0.402 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -38.5 | 179.5 | -159.1 | -171.3 | 163.3 | 0 | 0 | 112.2 | I907 V908 Q914 R915 | I907-E911 PolarHBondContact O-N 2.74Å; V908-E911 PolarHBondContact O-N 3.31Å; E911-Q914 PolarHBondContact O-N 3.44Å; E911-R915 VanDerWaalsContact CD-NH1 3.27Å; E911-R915 PolarHBondContact O-N 2.89Å; E911-R915 IonicContact OE1-CZ 3.77Å; E911-R915 IonicContact OE1-NH1 3.07Å; E911-R915 PolarHBondContact OE1-NH1 3.35Å; E911-R915 IonicContact OE1-NH2 2.71Å; E911-R915 PolarHBondContact OE1-NH2 3.48Å; E911-R915 IonicContact OE2-NH1 2.67Å |
| 912 | I | 51.1 | Low | 45.1 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.6 | -43.8 | 174.5 | -67.7 | 168.9 | 0 | 0 | 0 | 110.8 | V908 E909 Q914 T916 | V908-I912 HydrophobicContact CG1-CD1 3.9Å; V908-I912 WeakPolarHBondContact O-CG1 3.41Å; V908-I912 PolarHBondContact O-N 3.03Å; E909-I912 PolarHBondContact O-N 3.36Å; I912-Q914 VanDerWaalsContact C-N 3.32Å; I912-Q914 PolarHBondContact O-N 2.77Å; I912-T916 WeakPolarHBondContact O-CB 3.37Å; I912-T916 PolarHBondContact O-N 3.14Å; I912-T916 PolarHBondContact O-OG1 3.29Å |
| 913 | A | 48.6 | Very low | 45 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.1 | -40.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E909 R910 T916 L917 | E909-A913 WeakPolarHBondContact O-CB 3.38Å; E909-A913 PolarHBondContact O-N 3.25Å; R910-A913 PolarHBondContact O-N 3.11Å; A913-T916 WeakPolarHBondContact O-CB 3.4Å; A913-T916 PolarHBondContact O-N 3.37Å; A913-L917 WeakPolarHBondContact O-CB 3.39Å; A913-L917 PolarHBondContact O-N 3.22Å |
| 914 | Q | 45.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 117.3 Ų | 117.3 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.3 | -42.9 | -179.5 | -167.9 | 164 | -10.5 | 0 | 0 | 112.4 | R910 E911 I912 T916 L917 E918 | R910-Q914 VanDerWaalsContact O-CB 3.29Å; R910-Q914 WeakPolarHBondContact O-CB 3.44Å; R910-Q914 PolarHBondContact O-N 3.19Å; E911-Q914 PolarHBondContact O-N 3.44Å; I912-Q914 VanDerWaalsContact C-N 3.32Å; I912-Q914 PolarHBondContact O-N 2.77Å; Q914-T916 VanDerWaalsContact C-N 3.27Å; Q914-T916 PolarHBondContact O-N 2.75Å; Q914-L917 PolarHBondContact O-N 3.33Å; Q914-E918 PolarHBondContact O-N 2.78Å |
| 915 | R | 46.2 | Very low | 45.4 | Very low | 147 Ų | 147 | 113.4 Ų | 113.4 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.3 | -33 | 171.1 | -74.6 | -172.5 | 176.7 | 111.4 | 5.8 | 112.9 | E911 R919 | E911-R915 VanDerWaalsContact CD-NH1 3.27Å; E911-R915 PolarHBondContact O-N 2.89Å; E911-R915 IonicContact OE1-CZ 3.77Å; E911-R915 IonicContact OE1-NH1 3.07Å; E911-R915 PolarHBondContact OE1-NH1 3.35Å; E911-R915 IonicContact OE1-NH2 2.71Å; E911-R915 PolarHBondContact OE1-NH2 3.48Å; E911-R915 IonicContact OE2-NH1 2.67Å; R915-R919 PolarHBondContact O-N 2.96Å |
| 916 | T | 52.5 | Low | 45.5 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.9 | -42 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | I912 A913 Q914 R919 Q920 | I912-T916 WeakPolarHBondContact O-CB 3.37Å; I912-T916 PolarHBondContact O-N 3.14Å; I912-T916 PolarHBondContact O-OG1 3.29Å; A913-T916 WeakPolarHBondContact O-CB 3.4Å; A913-T916 PolarHBondContact O-N 3.37Å; Q914-T916 VanDerWaalsContact C-N 3.27Å; Q914-T916 PolarHBondContact O-N 2.75Å; T916-R919 PolarHBondContact O-N 2.95Å; T916-Q920 PolarHBondContact O-N 3.32Å |
| 917 | L | 47.9 | Very low | 45.5 | Very low | 111 Ų | 111 | 112.6 Ų | 112.6 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -38.3 | 174.3 | -173.8 | 64.1 | 0 | 0 | 0 | 112 | A913 Q914 Q920 K921 | A913-L917 WeakPolarHBondContact O-CB 3.39Å; A913-L917 PolarHBondContact O-N 3.22Å; Q914-L917 PolarHBondContact O-N 3.33Å; L917-Q920 PolarHBondContact O-N 2.99Å; L917-K921 WeakPolarHBondContact O-CB 3.41Å; L917-K921 PolarHBondContact O-N 2.79Å |
| 918 | E | 44 | Very low | 45.4 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -39.2 | 173.8 | -73.8 | -175.8 | 156.6 | 0 | 0 | 112.5 | Q914 Q920 K921 M922 | Q914-E918 PolarHBondContact O-N 2.78Å; E918-Q920 VanDerWaalsContact C-N 3.33Å; E918-Q920 PolarHBondContact O-N 2.84Å; E918-K921 PolarHBondContact O-N 2.76Å; E918-M922 WeakPolarHBondContact O-CG 3.48Å; E918-M922 PolarHBondContact O-N 3.45Å |
| 919 | R | 45.3 | Very low | 45.5 | Very low | 198 Ų | 198 | 120.3 Ų | 120.3 | 75% | 0.747 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.4 | -40.6 | 169.9 | -83.8 | -175.3 | 167.9 | -173.7 | -3.3 | 112.3 | R915 T916 M922 S923 | R915-R919 PolarHBondContact O-N 2.96Å; T916-R919 PolarHBondContact O-N 2.95Å; R919-M922 HydrophobicContact CG-CE 4.2Å; R919-S923 WeakPolarHBondContact O-CB 3.43Å; R919-S923 PolarHBondContact O-N 2.83Å |
| 920 | Q | 44.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -41.1 | 172.5 | -76.3 | -175.3 | -27.7 | 0 | 0 | 112.1 | T916 L917 E918 S923 V924 | T916-Q920 PolarHBondContact O-N 3.32Å; L917-Q920 PolarHBondContact O-N 2.99Å; E918-Q920 VanDerWaalsContact C-N 3.33Å; E918-Q920 PolarHBondContact O-N 2.84Å; Q920-S923 WeakPolarHBondContact O-CB 3.46Å; Q920-S923 PolarHBondContact O-N 3.19Å; Q920-S923 VanDerWaalsContact O-N 3.16Å; Q920-V924 WeakPolarHBondContact O-CG2 3.45Å; Q920-V924 PolarHBondContact O-N 2.82Å |
| 921 | K | 41.9 | Very low | 44.9 | Very low | 147 Ų | 147 | 114.8 Ų | 114.8 | 64% | 0.639 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 178.8 | -155.5 | 173 | -174.7 | -178.3 | 0 | 112 | L917 E918 S923 V924 D925 | L917-K921 WeakPolarHBondContact O-CB 3.41Å; L917-K921 PolarHBondContact O-N 2.79Å; E918-K921 PolarHBondContact O-N 2.76Å; K921-S923 VanDerWaalsContact C-N 3.32Å; K921-S923 PolarHBondContact O-N 3.48Å; K921-V924 PolarHBondContact O-N 3.41Å; K921-D925 PolarHBondContact O-N 3.21Å |
| 922 | M | 35.9 | Very low | 44.9 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -33.8 | 172.6 | -69.7 | -174 | -70.4 | 0 | 0 | 112.7 | E918 R919 S926 | E918-M922 WeakPolarHBondContact O-CG 3.48Å; E918-M922 PolarHBondContact O-N 3.45Å; R919-M922 HydrophobicContact CG-CE 4.2Å; M922-S926 WeakPolarHBondContact O-CB 3.4Å; M922-S926 PolarHBondContact O-N 2.94Å; M922-S926 VanDerWaalsContact O-N 3.08Å |
| 923 | S | 45.7 | Very low | 44.5 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 49% | 0.49 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.4 | -43.4 | 173.4 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | R919 Q920 K921 S926 M927 | R919-S923 WeakPolarHBondContact O-CB 3.43Å; R919-S923 PolarHBondContact O-N 2.83Å; Q920-S923 WeakPolarHBondContact O-CB 3.46Å; Q920-S923 PolarHBondContact O-N 3.19Å; Q920-S923 VanDerWaalsContact O-N 3.16Å; K921-S923 VanDerWaalsContact C-N 3.32Å; K921-S923 PolarHBondContact O-N 3.48Å; S923-S926 VanDerWaalsContact O-CB 3.28Å; S923-S926 WeakPolarHBondContact O-CB 3.32Å; S923-S926 PolarHBondContact O-N 3.03Å; S923-M927 PolarHBondContact O-N 3Å |
| 924 | V | 45.5 | Very low | 44.3 | Very low | 89 Ų | 89 | 117.2 Ų | 117.2 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -43.3 | 178.3 | 172 | 0 | 0 | 0 | 0 | 112 | Q920 K921 S926 M927 R928 | Q920-V924 WeakPolarHBondContact O-CG2 3.45Å; Q920-V924 PolarHBondContact O-N 2.82Å; K921-V924 PolarHBondContact O-N 3.41Å; V924-S926 VanDerWaalsContact C-N 3.25Å; V924-S926 PolarHBondContact O-N 2.9Å; V924-M927 PolarHBondContact O-N 3.07Å; V924-R928 PolarHBondContact O-N 3.47Å |
| 925 | D | 38.5 | Very low | 44.1 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 43% | 0.428 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.8 | -22 | 174.9 | -82.6 | -36 | 0 | 0 | 0 | 113 | K921 R928 | K921-D925 PolarHBondContact O-N 3.21Å; D925-R928 WeakPolarHBondContact O-CB 3.44Å; D925-R928 PolarHBondContact O-N 2.9Å; D925-R928 IonicContact OD1-NH1 2.75Å |
| 926 | S | 42.3 | Very low | 43.9 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.9 | -44.1 | 169.9 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | M922 S923 V924 R928 R929 P930 | M922-S926 WeakPolarHBondContact O-CB 3.4Å; M922-S926 PolarHBondContact O-N 2.94Å; M922-S926 VanDerWaalsContact O-N 3.08Å; S923-S926 VanDerWaalsContact O-CB 3.28Å; S923-S926 WeakPolarHBondContact O-CB 3.32Å; S923-S926 PolarHBondContact O-N 3.03Å; V924-S926 VanDerWaalsContact C-N 3.25Å; V924-S926 PolarHBondContact O-N 2.9Å; S926-R928 PolarHBondContact O-N 3.23Å; S926-R929 PolarHBondContact O-N 3.05Å; S926-P930 WeakPolarHBondContact O-CD 3.44Å |
| 927 | M | 46.1 | Very low | 43.6 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -21.6 | 174.1 | -74.9 | -167.7 | -74.6 | 0 | 0 | 113.6 | S923 V924 | S923-M927 PolarHBondContact O-N 3Å; V924-M927 PolarHBondContact O-N 3.07Å |
| 928 | R | 46.2 | Very low | 43.1 | Very low | 170 Ų | 170 | 115.5 Ų | 115.5 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.7 | -25.7 | -179.9 | -130.4 | 172.4 | -173.9 | 172.4 | 1 | 113.6 | V924 D925 S926 M932 | V924-R928 PolarHBondContact O-N 3.47Å; D925-R928 WeakPolarHBondContact O-CB 3.44Å; D925-R928 PolarHBondContact O-N 2.9Å; D925-R928 IonicContact OD1-NH1 2.75Å; S926-R928 PolarHBondContact O-N 3.23Å; R928-M932 WeakPolarHBondContact O-CB 3.47Å; R928-M932 PolarHBondContact O-N 2.82Å; R928-M932 VanDerWaalsContact O-N 3.15Å |
| 929 | R | 46.1 | Very low | 43 | Very low | 188 Ų | 188 | 117.7 Ų | 117.7 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.9 | -44.7 | -177.1 | -70.7 | -178.1 | 175.6 | -171.8 | -1.8 | 114.1 | S926 M932 M933 | S926-R929 PolarHBondContact O-N 3.05Å; R929-M932 PolarHBondContact O-N 2.72Å; R929-M933 WeakPolarHBondContact O-CG 3.32Å; R929-M933 PolarHBondContact O-N 3.31Å |
| 930 | P | 44.3 | Very low | 42.3 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.7 | -41.2 | 174.6 | -25.1 | 35 | 0 | 0 | 0 | 113.4 | S926 M932 M933 A934 | S926-P930 WeakPolarHBondContact O-CD 3.44Å; P930-M932 PolarHBondContact O-N 3.37Å; P930-M933 WeakPolarHBondContact O-CB 3.18Å; P930-M933 PolarHBondContact O-N 2.86Å; P930-A934 PolarHBondContact O-N 3.49Å |
| 931 | L | 42.4 | Very low | 41.8 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 68% | 0.681 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.5 | -36.2 | 177.5 | -81.5 | 161.1 | 0 | 0 | 0 | 112.3 | A934 A935 | L931-A934 PolarHBondContact O-N 3Å; L931-A935 PolarHBondContact O-N 2.96Å |
| 932 | M | 43.1 | Very low | 41.3 | Very low | 120 Ų | 120 | 114.8 Ų | 114.8 | 59% | 0.591 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72 | -32 | 174.4 | -165.2 | 154.4 | 62.2 | 0 | 0 | 112.6 | R928 R929 P930 L936 | R928-M932 WeakPolarHBondContact O-CB 3.47Å; R928-M932 PolarHBondContact O-N 2.82Å; R928-M932 VanDerWaalsContact O-N 3.15Å; R929-M932 PolarHBondContact O-N 2.72Å; P930-M932 PolarHBondContact O-N 3.37Å; M932-L936 WeakPolarHBondContact O-CG 3.37Å; M932-L936 PolarHBondContact O-N 3.2Å; M932-L936 VanDerWaalsContact O-N 3.1Å |
| 933 | M | 43.3 | Very low | 41.1 | Very low | 125 Ų | 125 | 115 Ų | 115 | 62% | 0.616 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.6 | -41.1 | 167.2 | -74.7 | -81.5 | -152.6 | 0 | 0 | 112 | R929 P930 L936 N937 | R929-M933 WeakPolarHBondContact O-CG 3.32Å; R929-M933 PolarHBondContact O-N 3.31Å; P930-M933 WeakPolarHBondContact O-CB 3.18Å; P930-M933 PolarHBondContact O-N 2.86Å; M933-L936 PolarHBondContact O-N 3.44Å; M933-N937 WeakPolarHBondContact O-CB 3.44Å; M933-N937 PolarHBondContact O-N 3.11Å; M933-N937 PolarHBondContact O-ND2 3.12Å |
| 934 | A | 44.7 | Very low | 40.2 | Very low | 50 Ų | 50 | 119.2 Ų | 119.2 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.4 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P930 L931 N937 G938 | P930-A934 PolarHBondContact O-N 3.49Å; L931-A934 PolarHBondContact O-N 3Å; A934-N937 PolarHBondContact O-N 2.78Å; A934-G938 PolarHBondContact O-N 3.42Å |
| 935 | A | 40.9 | Very low | 39.6 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.8 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L931 | L931-A935 PolarHBondContact O-N 2.96Å |
| 936 | L | 40.2 | Very low | 39.1 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.7 | -22.5 | 177.7 | -72.6 | 168.2 | 0 | 0 | 0 | 113.9 | M932 M933 | M932-L936 WeakPolarHBondContact O-CG 3.37Å; M932-L936 PolarHBondContact O-N 3.2Å; M932-L936 VanDerWaalsContact O-N 3.1Å; M933-L936 PolarHBondContact O-N 3.44Å |
| 937 | N | 46.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 64% | 0.642 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 7.6 | 176.9 | -68.5 | -70.2 | 0 | 0 | 0 | 114.1 | M933 A934 | M933-N937 WeakPolarHBondContact O-CB 3.44Å; M933-N937 PolarHBondContact O-N 3.11Å; M933-N937 PolarHBondContact O-ND2 3.12Å; A934-N937 PolarHBondContact O-N 2.78Å |
| 938 | G | 36.6 | Very low | 37.7 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | 28.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | A934 | A934-G938 PolarHBondContact O-N 3.42Š|
| 939 | L | 43.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | trans | -97.9 | 4.8 | -173.7 | -79.7 | 170.7 | 0 | 0 | 0 | 117.3 | ||||
| 940 | Y | 30.8 | Very low | 36.3 | Very low | 206 Ų | 206 | 130 Ų | 130 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | trans | -153.6 | 119.7 | 171.5 | -158.1 | -97.6 | 0 | 0 | 0 | 115.4 | ||||
| 941 | V | 33.2 | Very low | 36 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | -148.3 | 121 | 161.7 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 942 | A | 30.7 | Very low | 35.5 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 154.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 943 | R | 31.8 | Very low | 35.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 50% | 0.502 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -86.8 | 139.6 | 173.6 | -156.3 | -163.2 | -111 | 158.5 | -3.9 | 110.2 | G808 S809 | G808-R943 VanDerWaalsContact C-NE 3.3Å; G808-R943 PolarHBondContact O-NE 2.92Å; G808-R943 PolarHBondContact O-NH1 3.31Å; G808-R943 VanDerWaalsContact O-NH1 3.17Å; G808-R943 PolarHBondContact O-NH2 2.74Å; S809-R943 VanDerWaalsContact O-CZ 3.27Å; S809-R943 PolarHBondContact O-NE 2.63Å; S809-R943 PolarHBondContact O-NH2 3.4Å |
| 944 | M | 26.7 | Very low | 35 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 150.1 | 164.3 | -59.7 | -135.4 | 75 | 0 | 0 | 111.4 | ||
| 945 | P | 33.7 | Very low | 34.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 151.8 | 177.4 | 31.8 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 946 | V | 28.1 | Very low | 34.7 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 150.2 | 167.9 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 947 | A | 30.5 | Very low | 34.7 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 948 | R | 29.1 | Very low | 34.4 | Very low | 240 Ų | 240 | 143.1 Ų | 143.1 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 132.1 | 171 | -83 | -177 | 166.7 | 130.3 | -1.7 | 110.6 | ||
| 949 | N | 26.7 | Very low | 35.2 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 145.6 | 161 | -75.5 | -25.8 | 0 | 0 | 0 | 110.2 | A951 | N949-A951 PolarHBondContact O-N 3.02Š|
| 950 | Q | 35.9 | Very low | 36.4 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 94% | 0.935 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -85.5 | 100.8 | 174.5 | -65.4 | 173.1 | -7.7 | 0 | 0 | 110.3 | ||
| 951 | A | 37.6 | Very low | 38.8 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -176.2 | 76.8 | 160 | 0 | 0 | 0 | 0 | 0 | 112 | N949 | N949-A951 PolarHBondContact O-N 3.02Š| ||
| 952 | E | 31.9 | Very low | 41.2 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 94% | 0.944 | 73% | 0.732 | S | S | * | * | trans | -178 | 86.9 | 150.2 | -107.9 | 171.2 | -162.5 | 0 | 0 | 109.5 | ||||
| 953 | E | 38.7 | Very low | 43.9 | Very low | 210 Ų | 210 | 128.9 Ų | 128.9 | 98% | 0.981 | 71% | 0.708 | S | S | * | * | trans | -91.3 | 116.9 | 166.2 | -74 | -164.5 | 136.8 | 0 | 0 | 109.7 | ||||
| 954 | G | 36.4 | Very low | 46.5 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | trans | -162 | 87.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 955 | A | 40 | Very low | 49.5 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | trans | 55.6 | 76 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 956 | K | 38.9 | Very low | 52.1 | Low | 196 Ų | 196 | 118.3 Ų | 118.3 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | trans | -91.3 | 144.3 | 145.5 | -88.3 | -168.3 | 166.8 | -161.4 | 0 | 109.7 | ||||
| 957 | S | 40.4 | Very low | 55.1 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -60.6 | 143.1 | 160.8 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | S959 | S957-S959 PolarHBondContact O-N 2.79Š| ||
| 958 | T | 41.7 | Very low | 57.8 | Low | 143 Ų | 143 | 113.9 Ų | 113.9 | 88% | 0.877 | 61% | 0.614 | S | S | * | * | trans | -68.5 | 91.8 | 173.8 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 959 | S | 53.4 | Low | 60.5 | Low | 61 Ų | 61 | 104.3 Ų | 104.3 | 43% | 0.427 | 58% | 0.579 | S | S | . | * | trans | -60.1 | 134.1 | 164.7 | -160.6 | 0 | 0 | 0 | 0 | 108.7 | S957 E961 E964 | S957-S959 PolarHBondContact O-N 2.79Å; S959-E961 PolarHBondContact O-N 2.99Å; S959-E964 WeakPolarHBondContact CB-OE1 3.29Å; S959-E964 WeakPolarHBondContact OG-CG 3.44Å; S959-E964 PolarHBondContact OG-OE1 3.14Å | ||
| 960 | D | 69.3 | Low | 63.4 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 21% | 0.209 | 55% | 0.546 | C | S | . | . | trans | -73 | 113.7 | 171.3 | -171.8 | -26.9 | 0 | 0 | 0 | 107.7 | R962 C963 E964 | D960-R962 PolarHBondContact O-N 2.99Å; D960-R962 WeakPolarHBondContact OD1-CB 3.47Å; D960-R962 VanDerWaalsContact OD1-CG 3.24Å; D960-R962 WeakPolarHBondContact OD1-CG 3.27Å; D960-R962 IonicContact OD1-CZ 3.55Å; D960-R962 PolarHBondContact OD1-N 2.83Å; D960-R962 IonicContact OD1-NE 3.88Å; D960-R962 PolarHBondContact OD1-NE 2.85Å; D960-R962 IonicContact OD2-CZ 2.66Å; D960-R962 VanDerWaalsContact OD2-CZ 3.28Å; D960-R962 IonicContact OD2-NE 2.83Å; D960-R962 PolarHBondContact OD2-NE 2.87Å; D960-R962 IonicContact OD2-NH2 2.76Å; D960-R962 PolarHBondContact OD2-NH2 3.24Å; D960-C963 HydrophobicContact CB-CB 4.34Å; D960-C963 WeakPolarHBondContact O-CA 3.33Å; D960-C963 VanDerWaalsContact O-CB 3.29Å; D960-C963 WeakPolarHBondContact O-CB 3.38Å; D960-C963 PolarHBondContact O-N 2.78Å; D960-E964 PolarHBondContact O-N 3.39Å | ||
| 961 | E | 81.1 | Confident | 65.5 | Low | 157 Ų | 157 | 96.7 Ų | 96.7 | 73% | 0.734 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -54.6 | -24.8 | -180 | -61.2 | -178.1 | 161.8 | 0 | 0 | 112.1 | S959 T965 | S959-E961 PolarHBondContact O-N 2.99Å; E961-T965 VanDerWaalsContact O-CB 3.29Å; E961-T965 WeakPolarHBondContact O-CB 3.44Å; E961-T965 PolarHBondContact O-N 3.11Å; E961-T965 PolarHBondContact O-OG1 3.15Å |
| 962 | R | 83.5 | Confident | 67.2 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 22% | 0.215 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.1 | -34.7 | 173.8 | -54.8 | 176.2 | -64.8 | 173.5 | -2 | 112.2 | D960 L966 L1207 N1210 L1247 | D960-R962 PolarHBondContact O-N 2.99Å; D960-R962 WeakPolarHBondContact OD1-CB 3.47Å; D960-R962 VanDerWaalsContact OD1-CG 3.24Å; D960-R962 WeakPolarHBondContact OD1-CG 3.27Å; D960-R962 IonicContact OD1-CZ 3.55Å; D960-R962 PolarHBondContact OD1-N 2.83Å; D960-R962 IonicContact OD1-NE 3.88Å; D960-R962 PolarHBondContact OD1-NE 2.85Å; D960-R962 IonicContact OD2-CZ 2.66Å; D960-R962 VanDerWaalsContact OD2-CZ 3.28Å; D960-R962 IonicContact OD2-NE 2.83Å; D960-R962 PolarHBondContact OD2-NE 2.87Å; D960-R962 IonicContact OD2-NH2 2.76Å; D960-R962 PolarHBondContact OD2-NH2 3.24Å; R962-L966 WeakPolarHBondContact O-CB 3.2Å; R962-L966 VanDerWaalsContact O-CG 3.25Å; R962-L966 WeakPolarHBondContact O-CG 3.43Å; R962-L966 PolarHBondContact O-N 2.98Å; R962-L1207 PolarHBondContact NH1-O 2.79Å; R962-N1210 PolarHBondContact NH1-OD1 2.88Å; R962-N1210 PolarHBondContact NH2-OD1 2.9Å; R962-L1247 HydrophobicContact CB-CD1 4.12Å |
| 963 | C | 87 | Confident | 68.8 | Low | 13 Ų | 13 | 91.5 Ų | 91.5 | 9% | 0.088 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65.8 | -52 | 174.9 | -169.5 | 0 | 0 | 0 | 0 | 110 | D960 T965 L966 E967 L1247 | D960-C963 HydrophobicContact CB-CB 4.34Å; D960-C963 WeakPolarHBondContact O-CA 3.33Å; D960-C963 VanDerWaalsContact O-CB 3.29Å; D960-C963 WeakPolarHBondContact O-CB 3.38Å; D960-C963 PolarHBondContact O-N 2.78Å; C963-T965 PolarHBondContact O-N 3.01Å; C963-L966 PolarHBondContact O-N 3.11Å; C963-L966 VanDerWaalsContact O-N 3.11Å; C963-E967 WeakPolarHBondContact O-CG 3.24Å; C963-E967 PolarHBondContact O-N 2.85Å; C963-E967 PolarHBondContact SG-OE2 2.89Å; C963-L1247 HydrophobicContact CB-CB 4.31Å; C963-L1247 HydrophobicContact CB-CD1 3.87Å |
| 964 | E | 86.4 | Confident | 70.7 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 177.1 | -62.8 | -171.1 | -176.8 | 0 | 0 | 111.6 | S959 D960 L968 | S959-E964 WeakPolarHBondContact CB-OE1 3.29Å; S959-E964 WeakPolarHBondContact OG-CG 3.44Å; S959-E964 PolarHBondContact OG-OE1 3.14Å; D960-E964 PolarHBondContact O-N 3.39Å; E964-L968 VanDerWaalsContact O-CB 3.23Å; E964-L968 WeakPolarHBondContact O-CB 3.31Å; E964-L968 PolarHBondContact O-N 3.26Å |
| 965 | T | 88.4 | Confident | 73.1 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 175.7 | -61 | 0 | 0 | 0 | 0 | 112.9 | E961 C963 K969 | E961-T965 VanDerWaalsContact O-CB 3.29Å; E961-T965 WeakPolarHBondContact O-CB 3.44Å; E961-T965 PolarHBondContact O-N 3.11Å; E961-T965 PolarHBondContact O-OG1 3.15Å; C963-T965 PolarHBondContact O-N 3.01Å; T965-K969 PolarHBondContact O-N 3.48Å; T965-K969 VanDerWaalsContact O-N 3.08Å |
| 966 | L | 89.8 | Confident | 75.4 | Confident | 6 Ų | 6 | 84.3 Ų | 84.3 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 178 | -70.7 | 173.1 | 0 | 0 | 0 | 111.7 | R962 C963 L970 V1213 Y1240 L1243 I1244 L1247 | R962-L966 WeakPolarHBondContact O-CB 3.2Å; R962-L966 VanDerWaalsContact O-CG 3.25Å; R962-L966 WeakPolarHBondContact O-CG 3.43Å; R962-L966 PolarHBondContact O-N 2.98Å; C963-L966 PolarHBondContact O-N 3.11Å; C963-L966 VanDerWaalsContact O-N 3.11Å; L966-L970 WeakPolarHBondContact O-CB 3.09Å; L966-L970 PolarHBondContact O-N 3.49Å; L966-V1213 HydrophobicContact CD2-CG1 4.48Å; L966-Y1240 HydrophobicContact CB-CD1 4.4Å; L966-Y1240 HydrophobicContact CD2-CD1 3.79Å; L966-Y1240 HydrophobicContact CD2-CE1 3.54Å; L966-L1243 HydrophobicContact CD1-CB 4.04Å; L966-I1244 HydrophobicContact CB-CD1 4.21Å; L966-I1244 HydrophobicContact CB-CG1 3.69Å; L966-L1247 HydrophobicContact CD1-CD1 4.07Å |
| 967 | E | 90.1 | Very high | 77.8 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 174.8 | -71.4 | -180 | 120.3 | 0 | 0 | 111.2 | C963 K969 L970 E971 I1244 K1248 | C963-E967 WeakPolarHBondContact O-CG 3.24Å; C963-E967 PolarHBondContact O-N 2.85Å; C963-E967 PolarHBondContact SG-OE2 2.89Å; E967-K969 VanDerWaalsContact C-N 3.35Å; E967-K969 PolarHBondContact O-N 3.37Å; E967-L970 WeakPolarHBondContact O-CA 3.38Å; E967-L970 WeakPolarHBondContact O-CB 3.26Å; E967-L970 PolarHBondContact O-N 3.47Å; E967-E971 PolarHBondContact O-N 2.77Å; E967-I1244 HydrophobicContact CG-CD1 3.83Å; E967-I1244 HydrophobicContact CG-CG1 3.96Å; E967-I1244 HydrophobicContact CG-CG2 3.69Å; E967-K1248 WeakPolarHBondContact OE1-CE 3.39Å; E967-K1248 IonicContact OE1-NZ 3.31Å; E967-K1248 PolarHBondContact OE1-NZ 2.83Å |
| 968 | L | 88.1 | Confident | 80.3 | Confident | 82 Ų | 82 | 74.7 Ų | 74.7 | 43% | 0.429 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 177.8 | -175.6 | 150.7 | 0 | 0 | 0 | 112.4 | E964 L970 E971 E972 | E964-L968 VanDerWaalsContact O-CB 3.23Å; E964-L968 WeakPolarHBondContact O-CB 3.31Å; E964-L968 PolarHBondContact O-N 3.26Å; L968-L970 VanDerWaalsContact C-N 3.27Å; L968-L970 PolarHBondContact O-N 3.16Å; L968-E971 PolarHBondContact O-N 3.23Å; L968-E972 HydrophobicContact CD2-CG 4.31Å; L968-E972 HydrophobicContact CG-CG 4.38Å; L968-E972 WeakPolarHBondContact O-CB 3.18Å; L968-E972 PolarHBondContact O-N 3.18Å; L968-E972 VanDerWaalsContact O-N 3.12Å |
| 969 | K | 85.8 | Confident | 82.8 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 171.9 | -85.9 | -165.5 | 176.6 | -164.8 | 0 | 111.7 | T965 E967 V975 E978 E1214 Y1240 | T965-K969 PolarHBondContact O-N 3.48Å; T965-K969 VanDerWaalsContact O-N 3.08Å; E967-K969 VanDerWaalsContact C-N 3.35Å; E967-K969 PolarHBondContact O-N 3.37Å; K969-V975 HydrophobicContact CB-CG2 4.29Å; K969-V975 WeakPolarHBondContact O-CG2 3.48Å; K969-E978 IonicContact NZ-OE2 2.68Å; K969-E978 PolarHBondContact NZ-OE2 3.21Å; K969-E1214 IonicContact NZ-OE2 2.98Å; K969-Y1240 HydrophobicContact CB-CE1 4.02Å; K969-Y1240 HydrophobicContact CD-CE1 3.82Å; K969-Y1240 VanDerWaalsContact CD-OH 3.32Å; K969-Y1240 WeakPolarHBondContact CD-OH 3.35Å; K969-Y1240 PolarHBondContact NZ-OH 2.92Å |
| 970 | L | 86.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75 | -38.2 | -176.7 | -174.2 | 63.5 | 0 | 0 | 0 | 112.8 | L966 E967 L968 V975 K1237 Q1241 I1244 | L966-L970 WeakPolarHBondContact O-CB 3.09Å; L966-L970 PolarHBondContact O-N 3.49Å; E967-L970 WeakPolarHBondContact O-CA 3.38Å; E967-L970 WeakPolarHBondContact O-CB 3.26Å; E967-L970 PolarHBondContact O-N 3.47Å; L968-L970 VanDerWaalsContact C-N 3.27Å; L968-L970 PolarHBondContact O-N 3.16Å; L970-V975 HydrophobicContact CD1-CG2 4.42Å; L970-K1237 HydrophobicContact CD1-CB 3.95Å; L970-K1237 HydrophobicContact CD1-CD 4.09Å; L970-K1237 HydrophobicContact CD1-CG 3.81Å; L970-Q1241 HydrophobicContact CD2-CG 3.9Å; L970-I1244 HydrophobicContact CD2-CD1 3.81Å |
| 971 | E | 79.1 | Confident | 85.9 | Confident | 171 Ų | 171 | 74.8 Ų | 74.8 | 80% | 0.799 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.4 | -44.3 | 178.9 | -72.3 | -169.8 | 164.2 | 0 | 0 | 113.2 | E967 L968 D973 | E967-E971 PolarHBondContact O-N 2.77Å; L968-E971 PolarHBondContact O-N 3.23Å; E971-D973 PolarHBondContact O-N 2.93Å |
| 972 | E | 74.5 | Confident | 86.6 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 13.1 | -177.2 | -66.7 | -171.2 | 174.1 | 0 | 0 | 114.2 | L968 R974 | L968-E972 HydrophobicContact CD2-CG 4.31Å; L968-E972 HydrophobicContact CG-CG 4.38Å; L968-E972 WeakPolarHBondContact O-CB 3.18Å; L968-E972 PolarHBondContact O-N 3.18Å; L968-E972 VanDerWaalsContact O-N 3.12Å; E972-R974 HydrophobicContact CB-CG 4.02Å; E972-R974 PolarHBondContact O-N 3.07Å; E972-R974 IonicContact OE1-NH2 3.94Å; E972-R974 IonicContact OE2-CZ 3.07Å; E972-R974 IonicContact OE2-NE 2.68Å; E972-R974 PolarHBondContact OE2-NE 3.37Å; E972-R974 IonicContact OE2-NH2 2.66Å; E972-R974 PolarHBondContact OE2-NH2 3.44Å |
| 973 | D | 64.5 | Low | 87.1 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 12.5 | -173.5 | -151.9 | 21.8 | 0 | 0 | 0 | 115.6 | E971 V975 F976 K1237 | E971-D973 PolarHBondContact O-N 2.93Å; D973-V975 PolarHBondContact O-N 2.86Å; D973-V975 VanDerWaalsContact O-N 3.09Å; D973-F976 WeakPolarHBondContact O-CB 3.46Å; D973-F976 PolarHBondContact O-N 2.97Å; D973-K1237 WeakPolarHBondContact OD1-CE 3.45Å; D973-K1237 IonicContact OD1-NZ 3.7Å; D973-K1237 PolarHBondContact OD1-NZ 2.63Å |
| 974 | R | 78.4 | Confident | 87.5 | Confident | 141 Ų | 141 | 72 Ų | 72 | 53% | 0.532 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.1 | -31 | 177.4 | -65 | -167.9 | -167.1 | -159.9 | 11.1 | 111.8 | E972 F976 T977 E978 | E972-R974 HydrophobicContact CB-CG 4.02Å; E972-R974 PolarHBondContact O-N 3.07Å; E972-R974 IonicContact OE1-NH2 3.94Å; E972-R974 IonicContact OE2-CZ 3.07Å; E972-R974 IonicContact OE2-NE 2.68Å; E972-R974 PolarHBondContact OE2-NE 3.37Å; E972-R974 IonicContact OE2-NH2 2.66Å; E972-R974 PolarHBondContact OE2-NH2 3.44Å; R974-F976 PolarHBondContact O-N 3.1Å; R974-T977 PolarHBondContact O-N 3.18Å; R974-T977 VanDerWaalsContact O-N 3.12Å; R974-E978 VanDerWaalsContact O-CB 3.29Å; R974-E978 WeakPolarHBondContact O-CB 3.31Å; R974-E978 PolarHBondContact O-N 2.75Å |
| 975 | V | 87.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.2 | -27.7 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 112.8 | K969 L970 D973 Y979 I1233 Y1236 K1237 Y1240 | K969-V975 HydrophobicContact CB-CG2 4.29Å; K969-V975 WeakPolarHBondContact O-CG2 3.48Å; L970-V975 HydrophobicContact CD1-CG2 4.42Å; D973-V975 PolarHBondContact O-N 2.86Å; D973-V975 VanDerWaalsContact O-N 3.09Å; V975-Y979 WeakPolarHBondContact O-CB 3.39Å; V975-Y979 PolarHBondContact O-N 2.82Å; V975-I1233 HydrophobicContact CG1-CD1 4.03Å; V975-I1233 WeakPolarHBondContact O-CD1 3.43Å; V975-Y1236 HydrophobicContact CG1-CD1 3.44Å; V975-Y1236 VanDerWaalsContact CG1-CD1 3.44Å; V975-Y1236 HydrophobicContact CG1-CE1 3.81Å; V975-Y1236 HydrophobicContact CG1-CG 4.49Å; V975-K1237 HydrophobicContact CB-CG 4.37Å; V975-K1237 HydrophobicContact CG1-CG 3.65Å; V975-Y1240 HydrophobicContact CG1-CD2 3.94Å; V975-Y1240 HydrophobicContact CG1-CE2 4.05Å; V975-Y1240 HydrophobicContact CG2-CD1 4.31Å; V975-Y1240 HydrophobicContact CG2-CD2 3.92Å; V975-Y1240 HydrophobicContact CG2-CE1 4.21Å; V975-Y1240 HydrophobicContact CG2-CE2 3.79Å; V975-Y1240 HydrophobicContact CG2-CG 4.18Å |
| 976 | F | 88.4 | Confident | 87.9 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.7 | -52 | 171.3 | 176.4 | -94.3 | 0 | 0 | 0 | 112 | D973 R974 E978 Y979 E980 I1233 | D973-F976 WeakPolarHBondContact O-CB 3.46Å; D973-F976 PolarHBondContact O-N 2.97Å; R974-F976 PolarHBondContact O-N 3.1Å; F976-E978 VanDerWaalsContact C-N 3.33Å; F976-E978 PolarHBondContact O-N 2.67Å; F976-Y979 PolarHBondContact O-N 3.48Å; F976-E980 HydrophobicContact CE2-CG 4.28Å; F976-E980 HydrophobicContact CZ-CG 4.11Å; F976-E980 PolarHBondContact O-N 3.3Å; F976-E980 VanDerWaalsContact O-N 3.11Å; F976-I1233 HydrophobicContact CB-CD1 4.29Å; F976-I1233 HydrophobicContact CD2-CB 4.49Å; F976-I1233 HydrophobicContact CD2-CG1 4.13Å |
| 977 | T | 89.3 | Confident | 87.6 | Confident | 78 Ų | 78 | 77 Ų | 77 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | R974 Q981 | R974-T977 PolarHBondContact O-N 3.18Å; R974-T977 VanDerWaalsContact O-N 3.12Å; T977-Q981 WeakPolarHBondContact O-CB 3.46Å; T977-Q981 VanDerWaalsContact O-CG 3.22Å; T977-Q981 WeakPolarHBondContact O-CG 3.12Å; T977-Q981 PolarHBondContact O-N 3.1Å; T977-Q981 VanDerWaalsContact O-N 3.16Å |
| 978 | E | 92.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 12% | 0.121 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.6 | -171.7 | -174.2 | 89 | 0 | 0 | 111.2 | K969 R974 F976 Q981 V982 P1216 Y1236 Y1240 | K969-E978 IonicContact NZ-OE2 2.68Å; K969-E978 PolarHBondContact NZ-OE2 3.21Å; R974-E978 VanDerWaalsContact O-CB 3.29Å; R974-E978 WeakPolarHBondContact O-CB 3.31Å; R974-E978 PolarHBondContact O-N 2.75Å; F976-E978 VanDerWaalsContact C-N 3.33Å; F976-E978 PolarHBondContact O-N 2.67Å; E978-Q981 PolarHBondContact O-N 3.18Å; E978-V982 PolarHBondContact O-N 3.23Å; E978-P1216 HydrophobicContact CG-CB 3.65Å; E978-P1216 HydrophobicContact CG-CG 3.75Å; E978-Y1236 HydrophobicContact CG-CE1 4.45Å; E978-Y1236 VanDerWaalsContact OE1-CE1 3.29Å; E978-Y1236 WeakPolarHBondContact OE1-CE1 3.47Å; E978-Y1236 PolarHBondContact OE1-OH 3.35Å; E978-Y1240 VanDerWaalsContact CD-OH 3.27Å; E978-Y1240 WeakPolarHBondContact OE1-CE2 3.42Å; E978-Y1240 PolarHBondContact OE1-OH 3.13Å; E978-Y1240 PolarHBondContact OE2-OH 2.8Å |
| 979 | Y | 94.6 | Very high | 87 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -45.5 | -179.8 | 176.6 | -101.5 | 0 | 0 | 0 | 114.1 | V975 F976 Q981 V982 L1219 R1223 V1230 Q1231 T1232 I1233 Y1236 | V975-Y979 WeakPolarHBondContact O-CB 3.39Å; V975-Y979 PolarHBondContact O-N 2.82Å; F976-Y979 PolarHBondContact O-N 3.48Å; Y979-Q981 VanDerWaalsContact C-N 3.31Å; Y979-V982 PolarHBondContact O-N 3.08Å; Y979-L1219 HydrophobicContact CD2-CD2 4.25Å; Y979-L1219 HydrophobicContact CE2-CD2 4.45Å; Y979-R1223 PolarHBondContact OH-NH2 3.45Å; Y979-V1230 HydrophobicContact CE2-CG1 4.13Å; Y979-V1230 PolarHBondContact OH-O 3.42Å; Y979-Q1231 PolarHBondContact OH-O 3.5Å; Y979-T1232 PolarHBondContact OH-N 2.92Å; Y979-I1233 HydrophobicContact CD1-CB 4.31Å; Y979-I1233 HydrophobicContact CD1-CD1 4.46Å; Y979-I1233 HydrophobicContact CG-CD1 4.2Å; Y979-Y1236 AromaticContact CD2-CD1 3.82Å; Y979-Y1236 HydrophobicContact CD2-CD1 3.82Å; Y979-Y1236 HydrophobicContact CD2-CD2 4.1Å; Y979-Y1236 AromaticContact CD2-CG 3.57Å; Y979-Y1236 HydrophobicContact CD2-CG 3.57Å; Y979-Y1236 HydrophobicContact CE2-CG 4.4Å; Y979-Y1236 HydrophobicContact CG-CD1 4.13Å; Y979-Y1236 HydrophobicContact CG-CG 4.3Å |
| 980 | E | 93.1 | Very high | 87.3 | Confident | 92 Ų | 92 | 81.5 Ų | 81.5 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -75.4 | -18.7 | -179.5 | -75.7 | -63.4 | 129.9 | 0 | 0 | 112.9 | F976 K984 | F976-E980 HydrophobicContact CE2-CG 4.28Å; F976-E980 HydrophobicContact CZ-CG 4.11Å; F976-E980 PolarHBondContact O-N 3.3Å; F976-E980 VanDerWaalsContact O-N 3.11Å; E980-K984 IonicContact OE1-NZ 2.78Å; E980-K984 PolarHBondContact OE1-NZ 3.49Å; E980-K984 IonicContact OE2-NZ 3.62Å; E980-K984 PolarHBondContact OE2-NZ 3.27Å |
| 981 | Q | 94.5 | Very high | 87.6 | Confident | 147 Ų | 147 | 82.4 Ų | 82.4 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.6 | -28 | 171 | -78.4 | 176 | 8.6 | 0 | 0 | 113.4 | T977 E978 Y979 P983 | T977-Q981 WeakPolarHBondContact O-CB 3.46Å; T977-Q981 VanDerWaalsContact O-CG 3.22Å; T977-Q981 WeakPolarHBondContact O-CG 3.12Å; T977-Q981 PolarHBondContact O-N 3.1Å; T977-Q981 VanDerWaalsContact O-N 3.16Å; E978-Q981 PolarHBondContact O-N 3.18Å; Y979-Q981 VanDerWaalsContact C-N 3.31Å; Q981-P983 WeakPolarHBondContact O-CD 3.26Å |
| 982 | V | 95.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 7% | 0.073 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -72.5 | 121.4 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | E978 Y979 K984 P1216 L1219 R1223 | E978-V982 PolarHBondContact O-N 3.23Å; Y979-V982 PolarHBondContact O-N 3.08Å; V982-K984 PolarHBondContact O-N 3.08Å; V982-P1216 HydrophobicContact CG2-CB 3.87Å; V982-L1219 HydrophobicContact CB-CD2 4.45Å; V982-L1219 HydrophobicContact CG1-CD2 4.38Å; V982-L1219 HydrophobicContact CG1-CG 4.15Å; V982-L1219 HydrophobicContact CG2-CD2 4.45Å; V982-R1223 PolarHBondContact O-NH1 3.31Å |
| 983 | P | 95.3 | Very high | 89.3 | Confident | 73 Ų | 73 | 74.7 Ų | 74.7 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | trans | -54.5 | 135.2 | -180 | -27.3 | 35.8 | 0 | 0 | 0 | 112.7 | Q981 K985 R1223 | Q981-P983 WeakPolarHBondContact O-CD 3.26Å; P983-K985 VanDerWaalsContact C-N 3.31Å; P983-K985 PolarHBondContact O-N 3.36Å; P983-R1223 WeakPolarHBondContact O-CD 3.47Å; P983-R1223 PolarHBondContact O-NH1 3.49Å | ||
| 984 | K | 93.7 | Very high | 90.7 | Very high | 85 Ų | 85 | 70.9 Ų | 70.9 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -74.8 | -18.6 | -175.6 | -81.6 | 164.4 | 177.9 | 160.7 | 0 | 113.9 | E980 V982 L1228 | E980-K984 IonicContact OE1-NZ 2.78Å; E980-K984 PolarHBondContact OE1-NZ 3.49Å; E980-K984 IonicContact OE2-NZ 3.62Å; E980-K984 PolarHBondContact OE2-NZ 3.27Å; V982-K984 PolarHBondContact O-N 3.08Å; K984-L1228 HydrophobicContact CB-CD2 3.98Å; K984-L1228 HydrophobicContact CG-CD2 4.43Å; K984-L1228 PolarHBondContact O-N 3.05Å |
| 985 | K | 92.6 | Very high | 91.5 | Very high | 126 Ų | 126 | 68 Ų | 68 | 55% | 0.548 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -155.6 | 166.2 | 169.7 | 60.7 | 171.7 | -177.1 | 172.3 | 0 | 109 | P983 M1227 | P983-K985 VanDerWaalsContact C-N 3.31Å; P983-K985 PolarHBondContact O-N 3.36Å; K985-M1227 HydrophobicContact CB-CB 3.8Å |
| 986 | R | 92.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 71 Ų | 71 | 18% | 0.181 | 37% | 0.372 | C | S | . | . | trans | -68.6 | 146.4 | 168 | -159.2 | 172.4 | 76 | -154.1 | 17 | 109.9 | D988 C989 Y1011 E1013 H1224 | R986-D988 PolarHBondContact NE-O 3.21Å; R986-D988 PolarHBondContact NH2-O 3.39Å; R986-C989 HydrophobicContact CB-CB 4.37Å; R986-Y1011 PolarHBondContact N-OH 3.31Å; R986-Y1011 VanDerWaalsContact N-OH 3.08Å; R986-E1013 IonicContact CZ-OE1 3.84Å; R986-E1013 IonicContact CZ-OE2 2.77Å; R986-E1013 IonicContact NH1-OE1 2.92Å; R986-E1013 PolarHBondContact NH1-OE1 3.27Å; R986-E1013 IonicContact NH1-OE2 3.76Å; R986-E1013 PolarHBondContact NH1-OE2 3.34Å; R986-E1013 IonicContact NH2-OE1 3.81Å; R986-E1013 PolarHBondContact NH2-OE1 3.4Å; R986-E1013 IonicContact NH2-OE2 2.94Å; R986-E1013 PolarHBondContact NH2-OE2 3.21Å; R986-H1224 PolarHBondContact NH1-O 2.95Å | ||
| 987 | T | 83.5 | Confident | 92.1 | Very high | 120 Ų | 120 | 71.9 Ų | 71.9 | 74% | 0.736 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -69 | -51.5 | 177.3 | 39.3 | 0 | 0 | 0 | 0 | 111.2 | C989 | T987-C989 PolarHBondContact O-N 3.13Š|
| 988 | D | 81.8 | Confident | 92.3 | Very high | 130 Ų | 130 | 72.8 Ų | 72.8 | 70% | 0.695 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -104.2 | 73.1 | -171 | -50.3 | -81.2 | 0 | 0 | 0 | 109.1 | R986 | R986-D988 PolarHBondContact NE-O 3.21Å; R986-D988 PolarHBondContact NH2-O 3.39Å |
| 989 | C | 83.8 | Confident | 92.5 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 18% | 0.176 | 38% | 0.381 | C | S | . | . | trans | -118.5 | 129.3 | 179.2 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | R986 T987 Y1011 | R986-C989 HydrophobicContact CB-CB 4.37Å; T987-C989 PolarHBondContact O-N 3.13Å; C989-Y1011 HydrophobicContact CB-CD1 3.39Å; C989-Y1011 HydrophobicContact CB-CE1 3.56Å; C989-Y1011 HydrophobicContact CB-CG 4.13Å | ||
| 990 | L | 92.1 | Very high | 92.5 | Very high | 116 Ų | 116 | 73 Ų | 73 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | trans | -80.4 | 139.3 | 167.4 | -60.7 | 177.8 | 0 | 0 | 0 | 109.4 | Y1011 E1012 | L990-Y1011 CarbonylContact O-C 3.59Å; L990-Y1011 WeakPolarHBondContact O-CA 3.43Å; L990-E1012 HydrophobicContact CB-CB 3.8Å; L990-E1012 PolarHBondContact O-N 2.83Å | ||
| 991 | I | 93.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 75.9 Ų | 75.9 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | trans | -141.9 | 26.9 | 179.8 | 58.4 | 172.6 | 0 | 0 | 0 | 110.7 | A994 T995 V1009 Y1011 M1227 | I991-A994 PolarHBondContact O-N 3.32Å; I991-T995 HydrophobicContact CB-CG2 4.42Å; I991-T995 HydrophobicContact CD1-CG2 3.69Å; I991-T995 HydrophobicContact CG1-CG2 3.86Å; I991-T995 WeakPolarHBondContact O-CB 3.31Å; I991-T995 WeakPolarHBondContact O-CG2 3.3Å; I991-T995 PolarHBondContact O-N 2.96Å; I991-T995 PolarHBondContact O-OG1 3.17Å; I991-V1009 HydrophobicContact CB-CG2 4.17Å; I991-V1009 HydrophobicContact CD1-CG2 4.27Å; I991-V1009 HydrophobicContact CG2-CG2 3.97Å; I991-Y1011 HydrophobicContact CG2-CD1 4.1Å; I991-M1227 HydrophobicContact CG2-CE 4.22Å | ||
| 992 | T | 93.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 70.6 Ų | 70.6 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.6 | -55.8 | -168.3 | 19.5 | 0 | 0 | 0 | 0 | 113.3 | A994 T995 L996 E1012 | T992-A994 VanDerWaalsContact C-N 3.31Å; T992-A994 PolarHBondContact O-N 3.25Å; T992-T995 PolarHBondContact O-N 3.37Å; T992-T995 PolarHBondContact O-OG1 2.85Å; T992-T995 VanDerWaalsContact O-OG1 3.07Å; T992-L996 PolarHBondContact O-N 2.89Å; T992-E1012 VanDerWaalsContact CA-OE2 3.32Å; T992-E1012 WeakPolarHBondContact CA-OE2 3.24Å; T992-E1012 WeakPolarHBondContact CB-OE2 3.38Å; T992-E1012 PolarHBondContact N-OE2 3.27Å; T992-E1012 PolarHBondContact OG1-OE2 3.36Å |
| 993 | T | 94.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 70.8 Ų | 70.8 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | T995 L996 N999 E1012 Y1028 | T993-T995 PolarHBondContact O-N 2.77Å; T993-L996 HydrophobicContact CG2-CD1 4.42Å; T993-L996 PolarHBondContact O-N 3.32Å; T993-N999 PolarHBondContact O-ND2 2.76Å; T993-E1012 WeakPolarHBondContact CB-OE1 3.49Å; T993-E1012 PolarHBondContact N-OE2 3.39Å; T993-E1012 PolarHBondContact OG1-OE1 3.43Å; T993-Y1028 HydrophobicContact CG2-CD2 4Å; T993-Y1028 HydrophobicContact CG2-CG 4.34Å |
| 994 | A | 94.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.7 | -19.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I991 T992 N1003 V1009 P1010 Y1028 | I991-A994 PolarHBondContact O-N 3.32Å; T992-A994 VanDerWaalsContact C-N 3.31Å; T992-A994 PolarHBondContact O-N 3.25Å; A994-N1003 PolarHBondContact O-ND2 2.82Å; A994-V1009 HydrophobicContact CB-CB 3.82Å; A994-V1009 HydrophobicContact CB-CG1 4.03Å; A994-V1009 HydrophobicContact CB-CG2 4.42Å; A994-P1010 HydrophobicContact CB-CG 4.27Å; A994-Y1028 HydrophobicContact CB-CE2 3.58Å; A994-Y1028 WeakPolarHBondContact CB-OH 3.4Å |
| 995 | T | 94.1 | Very high | 93 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -102.6 | -0.9 | 179.3 | 50 | 0 | 0 | 0 | 0 | 114 | I991 T992 T993 | I991-T995 HydrophobicContact CB-CG2 4.42Å; I991-T995 HydrophobicContact CD1-CG2 3.69Å; I991-T995 HydrophobicContact CG1-CG2 3.86Å; I991-T995 WeakPolarHBondContact O-CB 3.31Å; I991-T995 WeakPolarHBondContact O-CG2 3.3Å; I991-T995 PolarHBondContact O-N 2.96Å; I991-T995 PolarHBondContact O-OG1 3.17Å; T992-T995 PolarHBondContact O-N 3.37Å; T992-T995 PolarHBondContact O-OG1 2.85Å; T992-T995 VanDerWaalsContact O-OG1 3.07Å; T993-T995 PolarHBondContact O-N 2.77Å |
| 996 | L | 95.4 | Very high | 93 | Very high | 62 Ų | 62 | 73.5 Ų | 73.5 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -58.1 | 138.9 | 172.2 | -67.5 | 174.6 | 0 | 0 | 0 | 111 | T992 T993 E998 N999 A1000 T1026 | T992-L996 PolarHBondContact O-N 2.89Å; T993-L996 HydrophobicContact CG2-CD1 4.42Å; T993-L996 PolarHBondContact O-N 3.32Å; L996-E998 VanDerWaalsContact C-N 3.25Å; L996-E998 HydrophobicContact CB-CG 4.26Å; L996-E998 PolarHBondContact O-N 2.94Å; L996-N999 HydrophobicContact CB-CB 4.39Å; L996-N999 WeakPolarHBondContact O-CA 3.42Å; L996-N999 PolarHBondContact O-N 3.31Å; L996-A1000 PolarHBondContact O-N 3.35Å; L996-T1026 HydrophobicContact CD1-CG2 3.83Å |
| 997 | P | 94.4 | Very high | 93 | Very high | 117 Ų | 117 | 76.4 Ų | 76.4 | 76% | 0.76 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -55.2 | -38.1 | -178.6 | -28.2 | 35.5 | 0 | 0 | 0 | 113.9 | N999 A1000 | P997-N999 PolarHBondContact O-N 3.07Å; P997-A1000 WeakPolarHBondContact O-CB 3.43Å; P997-A1000 PolarHBondContact O-N 3.34Å |
| 998 | E | 93.2 | Very high | 93.6 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -66.1 | -19.3 | 177.5 | 70.7 | -175 | -63.8 | 0 | 0 | 113.9 | L996 R1002 T1026 | L996-E998 VanDerWaalsContact C-N 3.25Å; L996-E998 HydrophobicContact CB-CG 4.26Å; L996-E998 PolarHBondContact O-N 2.94Å; E998-R1002 PolarHBondContact O-NH1 3.1Å; E998-T1026 HydrophobicContact CG-CG2 4.26Å |
| 999 | N | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -99.1 | -11.1 | -179.7 | -77.6 | -24.7 | 0 | 0 | 0 | 113.3 | T993 L996 P997 E1001 R1002 T1026 Y1028 | T993-N999 PolarHBondContact O-ND2 2.76Å; L996-N999 HydrophobicContact CB-CB 4.39Å; L996-N999 WeakPolarHBondContact O-CA 3.42Å; L996-N999 PolarHBondContact O-N 3.31Å; P997-N999 PolarHBondContact O-N 3.07Å; N999-E1001 PolarHBondContact O-N 2.83Å; N999-R1002 WeakPolarHBondContact O-CB 3.43Å; N999-R1002 PolarHBondContact O-N 2.61Å; N999-R1002 PolarHBondContact OD1-NH1 3.26Å; N999-T1026 PolarHBondContact ND2-OG1 3.25Å; N999-T1026 PolarHBondContact OD1-OG1 2.68Å; N999-T1026 VanDerWaalsContact OD1-OG1 3.09Å; N999-Y1028 HydrophobicContact CB-CD1 3.59Å; N999-Y1028 HydrophobicContact CB-CE1 3.98Å; N999-Y1028 HydrophobicContact CB-CG 4.19Å; N999-Y1028 VanDerWaalsContact ND2-CB 3.3Å; N999-Y1028 WeakPolarHBondContact ND2-CB 3.43Å; N999-Y1028 WeakPolarHBondContact OD1-CB 3.5Å |
| 1000 | A | 94.6 | Very high | 95 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.9 | -35.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L996 P997 R1002 N1003 | L996-A1000 PolarHBondContact O-N 3.35Å; P997-A1000 WeakPolarHBondContact O-CB 3.43Å; P997-A1000 PolarHBondContact O-N 3.34Å; A1000-R1002 VanDerWaalsContact C-N 3.31Å; A1000-N1003 PolarHBondContact O-N 3.44Å |
| 1001 | E | 95.5 | Very high | 95.3 | Very high | 153 Ų | 153 | 58 Ų | 58 | 72% | 0.715 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -79.1 | -9.2 | 176.5 | -62.4 | -170.4 | 174.4 | 0 | 0 | 114.3 | N999 N1003 N1054 | N999-E1001 PolarHBondContact O-N 2.83Å; E1001-N1003 VanDerWaalsContact C-N 3.35Å; E1001-N1054 PolarHBondContact O-ND2 3.27Å |
| 1002 | R | 96.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -87.1 | -7.6 | 169.9 | -60.1 | -170.8 | -176.5 | 73 | 16.1 | 111.9 | E998 N999 A1000 E1023 Y1028 Q1049 T1055 | E998-R1002 PolarHBondContact O-NH1 3.1Å; N999-R1002 WeakPolarHBondContact O-CB 3.43Å; N999-R1002 PolarHBondContact O-N 2.61Å; N999-R1002 PolarHBondContact OD1-NH1 3.26Å; A1000-R1002 VanDerWaalsContact C-N 3.31Å; R1002-E1023 PolarHBondContact NH2-O 3.3Å; R1002-Y1028 HydrophobicContact CB-CD1 4.04Å; R1002-Y1028 HydrophobicContact CB-CE1 4.1Å; R1002-Y1028 WeakPolarHBondContact CD-O 3.47Å; R1002-Q1049 PolarHBondContact O-NE2 2.98Å; R1002-T1055 HydrophobicContact CB-CG2 3.93Å; R1002-T1055 HydrophobicContact CG-CG2 4.11Å |
| 1003 | N | 97.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | trans | -99.9 | 122 | 178.3 | -65.8 | -34.3 | 0 | 0 | 0 | 111.3 | A994 A1000 E1001 F1005 Y1028 N1030 | A994-N1003 PolarHBondContact O-ND2 2.82Å; A1000-N1003 PolarHBondContact O-N 3.44Å; E1001-N1003 VanDerWaalsContact C-N 3.35Å; N1003-F1005 VanDerWaalsContact C-N 3.28Å; N1003-F1005 PolarHBondContact O-N 3.26Å; N1003-Y1028 WeakPolarHBondContact OD1-CE1 3.41Å; N1003-Y1028 PolarHBondContact OD1-OH 3.05Å; N1003-N1030 PolarHBondContact OD1-ND2 3.45Å | ||
| 1004 | R | 96.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -68.4 | -30.2 | 173.7 | -176.9 | 179.8 | -74.7 | -91.1 | -0.4 | 112 | G1050 P1051 L1052 S1083 K1084 S1188 | R1004-G1050 PolarHBondContact NE-O 3.31Å; R1004-G1050 PolarHBondContact NH2-O 3.01Å; R1004-P1051 PolarHBondContact NH2-O 2.93Å; R1004-L1052 HydrophobicContact CB-CD1 4.41Å; R1004-L1052 HydrophobicContact CB-CD2 4.01Å; R1004-L1052 HydrophobicContact CB-CG 4.32Å; R1004-L1052 HydrophobicContact CG-CD2 4.08Å; R1004-S1083 PolarHBondContact NH1-O 3.1Å; R1004-K1084 PolarHBondContact NE-O 3.02Å; R1004-K1084 PolarHBondContact NH1-O 3.44Å; R1004-K1084 PolarHBondContact NH2-O 3.05Å; R1004-S1188 WeakPolarHBondContact CD-OG 3.47Å |
| 1005 | F | 96 | Very high | 95.7 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 36% | 0.36 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -133.9 | 127.1 | 176.6 | -61.5 | -82.9 | 0 | 0 | 0 | 108 | N1003 D1007 V1008 A1189 | N1003-F1005 VanDerWaalsContact C-N 3.28Å; N1003-F1005 PolarHBondContact O-N 3.26Å; F1005-D1007 VanDerWaalsContact C-N 3.25Å; F1005-D1007 PolarHBondContact O-N 3.17Å; F1005-V1008 HydrophobicContact CB-CB 4.1Å; F1005-V1008 HydrophobicContact CB-CG2 3.97Å; F1005-V1008 PolarHBondContact O-N 2.94Å; F1005-A1189 HydrophobicContact CD2-CB 3.54Å; F1005-A1189 HydrophobicContact CE2-CB 3.67Å; F1005-A1189 HydrophobicContact CG-CB 4.41Å |
| 1006 | R | 92.9 | Very high | 95.9 | Very high | 214 Ų | 214 | 56 Ų | 56 | 81% | 0.808 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.1 | -174.6 | -68.1 | -178.1 | 176.1 | -179.7 | -2 | 113.1 | ||
| 1007 | D | 92.4 | Very high | 96 | Very high | 109 Ų | 109 | 59.5 Ų | 59.5 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4 | -178.6 | 60.7 | -52.4 | 0 | 0 | 0 | 113.8 | F1005 M1227 | F1005-D1007 VanDerWaalsContact C-N 3.25Å; F1005-D1007 PolarHBondContact O-N 3.17Å; D1007-M1227 VanDerWaalsContact O-SD 3.35Å |
| 1008 | V | 97 | Very high | 96.1 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -122.5 | 97.5 | 179 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | F1005 N1030 A1189 V1191 L1228 | F1005-V1008 HydrophobicContact CB-CB 4.1Å; F1005-V1008 HydrophobicContact CB-CG2 3.97Å; F1005-V1008 PolarHBondContact O-N 2.94Å; V1008-N1030 PolarHBondContact O-ND2 3.48Å; V1008-A1189 HydrophobicContact CG1-CB 4.29Å; V1008-A1189 HydrophobicContact CG2-CB 4.37Å; V1008-V1191 HydrophobicContact CG1-CB 4.34Å; V1008-V1191 HydrophobicContact CG1-CG1 3.52Å; V1008-V1191 HydrophobicContact CG1-CG2 3.8Å; V1008-L1228 HydrophobicContact CG2-CD1 4.06Å | ||
| 1009 | V | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | trans | -130.6 | 158.5 | -175.3 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | I991 A994 M1227 | I991-V1009 HydrophobicContact CB-CG2 4.17Å; I991-V1009 HydrophobicContact CD1-CG2 4.27Å; I991-V1009 HydrophobicContact CG2-CG2 3.97Å; A994-V1009 HydrophobicContact CB-CB 3.82Å; A994-V1009 HydrophobicContact CB-CG1 4.03Å; A994-V1009 HydrophobicContact CB-CG2 4.42Å; V1009-M1227 HydrophobicContact CG2-CE 3.57Å; V1009-M1227 HydrophobicContact CG2-SD 4.04Å; V1009-M1227 PolarHBondContact N-SD 3.28Å; V1009-M1227 WeakPolarHBondContact O-CE 3.5Å | ||
| 1010 | P | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -66.8 | 159.7 | 166.2 | 31.6 | -36.2 | 0 | 0 | 0 | 111.4 | A994 Q1015 Y1028 A1031 S1032 | A994-P1010 HydrophobicContact CB-CG 4.27Å; P1010-Q1015 HydrophobicContact CB-CB 3.91Å; P1010-Q1015 HydrophobicContact CG-CB 3.99Å; P1010-Y1028 WeakPolarHBondContact CD-OH 3.43Å; P1010-Y1028 HydrophobicContact CG-CE2 3.81Å; P1010-A1031 WeakPolarHBondContact CB-O 3.37Å; P1010-S1032 WeakPolarHBondContact CA-OG 3.47Å; P1010-S1032 WeakPolarHBondContact CB-OG 3.43Å |
| 1011 | Y | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -83.3 | 150.3 | 163 | -48.9 | -56 | 0 | 0 | 0 | 109.3 | R986 C989 L990 I991 E1013 N1014 Q1015 R1223 H1224 Q1225 M1227 | R986-Y1011 PolarHBondContact N-OH 3.31Å; R986-Y1011 VanDerWaalsContact N-OH 3.08Å; C989-Y1011 HydrophobicContact CB-CD1 3.39Å; C989-Y1011 HydrophobicContact CB-CE1 3.56Å; C989-Y1011 HydrophobicContact CB-CG 4.13Å; L990-Y1011 CarbonylContact O-C 3.59Å; L990-Y1011 WeakPolarHBondContact O-CA 3.43Å; I991-Y1011 HydrophobicContact CG2-CD1 4.1Å; Y1011-E1013 PolarHBondContact O-N 2.97Å; Y1011-N1014 PolarHBondContact O-N 3.24Å; Y1011-N1014 PolarHBondContact O-OD1 3.44Å; Y1011-Q1015 PolarHBondContact O-N 3.15Å; Y1011-R1223 PolarHBondContact OH-O 3.29Å; Y1011-H1224 VanDerWaalsContact CE2-O 3.24Å; Y1011-H1224 WeakPolarHBondContact CE2-O 3.05Å; Y1011-Q1225 WeakPolarHBondContact CD2-O 3.38Å; Y1011-M1227 HydrophobicContact CD1-CE 4.02Å; Y1011-M1227 HydrophobicContact CE1-CB 4.19Å; Y1011-M1227 HydrophobicContact CE1-CE 3.65Å; Y1011-M1227 WeakPolarHBondContact OH-CA 3.5Å; Y1011-M1227 PolarHBondContact OH-N 2.93Å | ||
| 1012 | E | 95.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -57.7 | -46.1 | -172.9 | -162.9 | 76.2 | -136.7 | 0 | 0 | 112.7 | L990 T992 T993 N1014 Q1015 | L990-E1012 HydrophobicContact CB-CB 3.8Å; L990-E1012 PolarHBondContact O-N 2.83Å; T992-E1012 VanDerWaalsContact CA-OE2 3.32Å; T992-E1012 WeakPolarHBondContact CA-OE2 3.24Å; T992-E1012 WeakPolarHBondContact CB-OE2 3.38Å; T992-E1012 PolarHBondContact N-OE2 3.27Å; T992-E1012 PolarHBondContact OG1-OE2 3.36Å; T993-E1012 WeakPolarHBondContact CB-OE1 3.49Å; T993-E1012 PolarHBondContact N-OE2 3.39Å; T993-E1012 PolarHBondContact OG1-OE1 3.43Å; E1012-N1014 PolarHBondContact O-N 2.89Å; E1012-N1014 VanDerWaalsContact O-N 3.14Å; E1012-Q1015 WeakPolarHBondContact O-CG 3.5Å; E1012-Q1015 PolarHBondContact O-N 3.07Å; E1012-Q1015 PolarHBondContact OE1-NE2 3.18Å |
| 1013 | E | 95.3 | Very high | 95.5 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -65.8 | -15.6 | -173.6 | 69.3 | -160.4 | -137.5 | 0 | 0 | 115.4 | R986 Y1011 | R986-E1013 IonicContact CZ-OE1 3.84Å; R986-E1013 IonicContact CZ-OE2 2.77Å; R986-E1013 IonicContact NH1-OE1 2.92Å; R986-E1013 PolarHBondContact NH1-OE1 3.27Å; R986-E1013 IonicContact NH1-OE2 3.76Å; R986-E1013 PolarHBondContact NH1-OE2 3.34Å; R986-E1013 IonicContact NH2-OE1 3.81Å; R986-E1013 PolarHBondContact NH2-OE1 3.4Å; R986-E1013 IonicContact NH2-OE2 2.94Å; R986-E1013 PolarHBondContact NH2-OE2 3.21Å; Y1011-E1013 PolarHBondContact O-N 2.97Å |
| 1014 | N | 96.4 | Very high | 95.3 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -139.9 | 18.9 | -178.4 | 79.5 | -36.9 | 0 | 0 | 0 | 113.3 | Y1011 E1012 S1032 H1033 Q1225 | Y1011-N1014 PolarHBondContact O-N 3.24Å; Y1011-N1014 PolarHBondContact O-OD1 3.44Å; E1012-N1014 PolarHBondContact O-N 2.89Å; E1012-N1014 VanDerWaalsContact O-N 3.14Å; N1014-S1032 CarbonylContact O-C 3.57Å; N1014-S1032 WeakPolarHBondContact O-CA 3.46Å; N1014-H1033 PolarHBondContact ND2-O 2.83Å; N1014-H1033 PolarHBondContact O-N 3.12Å; N1014-Q1225 PolarHBondContact ND2-O 2.95Å; N1014-Q1225 PolarHBondContact OD1-O 3.24Å |
| 1015 | Q | 96.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -60.8 | 152.1 | 167.8 | 73 | -164.3 | -15.8 | 0 | 0 | 110.2 | P1010 Y1011 E1012 E1017 A1031 | P1010-Q1015 HydrophobicContact CB-CB 3.91Å; P1010-Q1015 HydrophobicContact CG-CB 3.99Å; Y1011-Q1015 PolarHBondContact O-N 3.15Å; E1012-Q1015 WeakPolarHBondContact O-CG 3.5Å; E1012-Q1015 PolarHBondContact O-N 3.07Å; E1012-Q1015 PolarHBondContact OE1-NE2 3.18Å; Q1015-E1017 HydrophobicContact CG-CG 3.84Å; Q1015-E1017 PolarHBondContact NE2-OE1 2.96Å; Q1015-E1017 PolarHBondContact O-N 3.36Å; Q1015-A1031 WeakPolarHBondContact CA-O 3.02Å |
| 1016 | V | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | trans | -85.4 | 103 | 172.1 | -171 | 0 | 0 | 0 | 0 | 108.7 | I1029 A1031 I1046 M1062 Q1066 | V1016-I1029 HydrophobicContact CB-CG2 4.31Å; V1016-I1029 WeakPolarHBondContact O-CG2 3.47Å; V1016-A1031 HydrophobicContact CB-CB 3.93Å; V1016-A1031 HydrophobicContact CG2-CB 3.63Å; V1016-A1031 PolarHBondContact N-O 2.78Å; V1016-I1046 HydrophobicContact CG1-CD1 4.39Å; V1016-I1046 HydrophobicContact CG2-CD1 4.2Å; V1016-I1046 HydrophobicContact CG2-CG1 3.99Å; V1016-I1046 HydrophobicContact CG2-CG2 3.83Å; V1016-M1062 HydrophobicContact CB-CG 4.41Å; V1016-M1062 HydrophobicContact CB-SD 4.33Å; V1016-M1062 HydrophobicContact CG1-CG 3.66Å; V1016-M1062 HydrophobicContact CG1-SD 4.17Å; V1016-M1062 HydrophobicContact CG2-SD 4.45Å; V1016-Q1066 HydrophobicContact CG1-CG 3.66Å | ||
| 1017 | E | 96.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 55.7 Ų | 55.7 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | trans | -76.8 | 133 | 176.5 | -60.3 | -177.1 | 170 | 0 | 0 | 110.6 | Q1015 | Q1015-E1017 HydrophobicContact CG-CG 3.84Å; Q1015-E1017 PolarHBondContact NE2-OE1 2.96Å; Q1015-E1017 PolarHBondContact O-N 3.36Å | ||
| 1018 | L | 97.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -105.1 | 152.4 | 173.9 | -51.1 | -177.7 | 0 | 0 | 0 | 110.2 | P1020 G1027 I1029 D1058 Q1061 M1062 E1065 | L1018-P1020 WeakPolarHBondContact O-CD 3.18Å; L1018-P1020 VanDerWaalsContact O-N 3.13Å; L1018-G1027 VanDerWaalsContact CB-O 3.27Å; L1018-G1027 WeakPolarHBondContact CB-O 3.24Å; L1018-G1027 WeakPolarHBondContact CG-O 3.39Å; L1018-G1027 PolarHBondContact N-O 3.25Å; L1018-G1027 VanDerWaalsContact O-CA 3.29Å; L1018-G1027 WeakPolarHBondContact O-CA 3.24Å; L1018-I1029 HydrophobicContact CD1-CB 3.97Å; L1018-I1029 HydrophobicContact CD1-CG2 3.86Å; L1018-I1029 HydrophobicContact CD2-CG2 4.03Å; L1018-I1029 HydrophobicContact CG-CB 4.45Å; L1018-I1029 HydrophobicContact CG-CG2 3.84Å; L1018-D1058 HydrophobicContact CD1-CB 3.8Å; L1018-D1058 WeakPolarHBondContact CD1-O 3.42Å; L1018-Q1061 HydrophobicContact CD1-CB 4.45Å; L1018-M1062 HydrophobicContact CD2-CB 3.64Å; L1018-M1062 HydrophobicContact CD2-CG 3.96Å; L1018-E1065 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 1019 | V | 96.8 | Very high | 95.6 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | trans | -60.3 | 117.4 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 110 | Q1061 E1065 | V1019-Q1061 PolarHBondContact O-NE2 2.95Å; V1019-E1065 PolarHBondContact N-OE2 2.69Å | ||
| 1020 | P | 96 | Very high | 95.7 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | trans | -57.9 | 147.4 | -174.3 | -29.8 | 38.1 | 0 | 0 | 0 | 114 | L1018 N1025 | L1018-P1020 WeakPolarHBondContact O-CD 3.18Å; L1018-P1020 VanDerWaalsContact O-N 3.13Å; P1020-N1025 WeakPolarHBondContact CB-O 3.1Å | ||
| 1021 | N | 92 | Very high | 95.7 | Very high | 32 Ų | 32 | 50.6 Ų | 50.6 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -146.6 | 169 | -178.1 | 78.4 | 69.9 | 0 | 0 | 0 | 111.6 | E1023 N1024 N1025 Q1061 | N1021-E1023 PolarHBondContact O-N 3Å; N1021-E1023 WeakPolarHBondContact OD1-CA 3.4Å; N1021-E1023 WeakPolarHBondContact OD1-CB 3.38Å; N1021-E1023 PolarHBondContact OD1-N 2.67Å; N1021-N1024 PolarHBondContact N-O 2.88Å; N1021-N1024 CarbonylContact O-C 3.58Å; N1021-N1024 PolarHBondContact O-N 2.85Å; N1021-N1024 VanDerWaalsContact O-O 3.05Å; N1021-N1024 PolarHBondContact OD1-N 2.86Å; N1021-N1025 PolarHBondContact O-N 2.83Å; N1021-N1025 PolarHBondContact O-OD1 3.49Å; N1021-Q1061 PolarHBondContact ND2-OE1 3.42Å |
| 1022 | K | 89.6 | Confident | 95.8 | Very high | 186 Ų | 186 | 50.6 Ų | 50.6 | 81% | 0.809 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.4 | -174.1 | -66.5 | -169.2 | 175.6 | -169.5 | 0 | 115.4 | ||
| 1023 | E | 87.8 | Confident | 95.9 | Very high | 163 Ų | 163 | 50.5 Ų | 50.5 | 76% | 0.762 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -10.3 | 178.9 | -64.5 | 163.4 | -154.4 | 0 | 0 | 111.7 | R1002 N1021 | R1002-E1023 PolarHBondContact NH2-O 3.3Å; N1021-E1023 PolarHBondContact O-N 3Å; N1021-E1023 WeakPolarHBondContact OD1-CA 3.4Å; N1021-E1023 WeakPolarHBondContact OD1-CB 3.38Å; N1021-E1023 PolarHBondContact OD1-N 2.67Å |
| 1024 | N | 95 | Very high | 96 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -151.3 | 80.1 | -179.6 | -171.1 | -8.2 | 0 | 0 | 0 | 109.8 | N1021 T1026 G1027 Y1028 D1058 | N1021-N1024 PolarHBondContact N-O 2.88Å; N1021-N1024 CarbonylContact O-C 3.58Å; N1021-N1024 PolarHBondContact O-N 2.85Å; N1021-N1024 VanDerWaalsContact O-O 3.05Å; N1021-N1024 PolarHBondContact OD1-N 2.86Å; N1024-T1026 VanDerWaalsContact C-N 3.26Å; N1024-T1026 PolarHBondContact O-N 2.7Å; N1024-T1026 PolarHBondContact OD1-OG1 2.83Å; N1024-G1027 PolarHBondContact O-N 2.93Å; N1024-G1027 PolarHBondContact OD1-N 2.84Å; N1024-Y1028 PolarHBondContact ND2-O 3.24Å; N1024-Y1028 PolarHBondContact OD1-N 2.94Å; N1024-Y1028 VanDerWaalsContact OD1-N 3.08Å; N1024-D1058 PolarHBondContact ND2-OD1 3.07Å |
| 1025 | N | 94.1 | Very high | 96.1 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.3 | -172.7 | -59.8 | -59.4 | 0 | 0 | 0 | 113.4 | P1020 N1021 | P1020-N1025 WeakPolarHBondContact CB-O 3.1Å; N1021-N1025 PolarHBondContact O-N 2.83Å; N1021-N1025 PolarHBondContact O-OD1 3.49Å |
| 1026 | T | 93.6 | Very high | 96 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.9 | 177 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | L996 E998 N999 N1024 Y1028 | L996-T1026 HydrophobicContact CD1-CG2 3.83Å; E998-T1026 HydrophobicContact CG-CG2 4.26Å; N999-T1026 PolarHBondContact ND2-OG1 3.25Å; N999-T1026 PolarHBondContact OD1-OG1 2.68Å; N999-T1026 VanDerWaalsContact OD1-OG1 3.09Å; N1024-T1026 VanDerWaalsContact C-N 3.26Å; N1024-T1026 PolarHBondContact O-N 2.7Å; N1024-T1026 PolarHBondContact OD1-OG1 2.83Å; T1026-Y1028 PolarHBondContact O-N 2.7Å; T1026-Y1028 WeakPolarHBondContact OG1-CB 3.39Å |
| 1027 | G | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | trans | 67.1 | 16.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1018 N1024 | L1018-G1027 VanDerWaalsContact CB-O 3.27Å; L1018-G1027 WeakPolarHBondContact CB-O 3.24Å; L1018-G1027 WeakPolarHBondContact CG-O 3.39Å; L1018-G1027 PolarHBondContact N-O 3.25Å; L1018-G1027 VanDerWaalsContact O-CA 3.29Å; L1018-G1027 WeakPolarHBondContact O-CA 3.24Å; N1024-G1027 PolarHBondContact O-N 2.93Å; N1024-G1027 PolarHBondContact OD1-N 2.84Å | ||
| 1028 | Y | 98.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | trans | -81.7 | 136.6 | -168.6 | 175.3 | -104 | 0 | 0 | 0 | 113.5 | T993 A994 N999 R1002 N1003 P1010 N1024 T1026 | T993-Y1028 HydrophobicContact CG2-CD2 4Å; T993-Y1028 HydrophobicContact CG2-CG 4.34Å; A994-Y1028 HydrophobicContact CB-CE2 3.58Å; A994-Y1028 WeakPolarHBondContact CB-OH 3.4Å; N999-Y1028 HydrophobicContact CB-CD1 3.59Å; N999-Y1028 HydrophobicContact CB-CE1 3.98Å; N999-Y1028 HydrophobicContact CB-CG 4.19Å; N999-Y1028 VanDerWaalsContact ND2-CB 3.3Å; N999-Y1028 WeakPolarHBondContact ND2-CB 3.43Å; N999-Y1028 WeakPolarHBondContact OD1-CB 3.5Å; R1002-Y1028 HydrophobicContact CB-CD1 4.04Å; R1002-Y1028 HydrophobicContact CB-CE1 4.1Å; R1002-Y1028 WeakPolarHBondContact CD-O 3.47Å; N1003-Y1028 WeakPolarHBondContact OD1-CE1 3.41Å; N1003-Y1028 PolarHBondContact OD1-OH 3.05Å; P1010-Y1028 WeakPolarHBondContact CD-OH 3.43Å; P1010-Y1028 HydrophobicContact CG-CE2 3.81Å; N1024-Y1028 PolarHBondContact ND2-O 3.24Å; N1024-Y1028 PolarHBondContact OD1-N 2.94Å; N1024-Y1028 VanDerWaalsContact OD1-N 3.08Å; T1026-Y1028 PolarHBondContact O-N 2.7Å; T1026-Y1028 WeakPolarHBondContact OG1-CB 3.39Å | ||
| 1029 | I | 98.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -138.2 | 145.3 | 162.5 | -176 | 166.3 | 0 | 0 | 0 | 109.5 | V1016 L1018 A1031 D1058 F1059 M1062 | V1016-I1029 HydrophobicContact CB-CG2 4.31Å; V1016-I1029 WeakPolarHBondContact O-CG2 3.47Å; L1018-I1029 HydrophobicContact CD1-CB 3.97Å; L1018-I1029 HydrophobicContact CD1-CG2 3.86Å; L1018-I1029 HydrophobicContact CD2-CG2 4.03Å; L1018-I1029 HydrophobicContact CG-CB 4.45Å; L1018-I1029 HydrophobicContact CG-CG2 3.84Å; I1029-A1031 HydrophobicContact CG2-CB 4.12Å; I1029-A1031 PolarHBondContact O-N 3.49Å; I1029-D1058 HydrophobicContact CD1-CB 4.08Å; I1029-F1059 HydrophobicContact CD1-CB 4.27Å; I1029-M1062 HydrophobicContact CD1-CB 4.25Å; I1029-M1062 HydrophobicContact CD1-SD 4.03Å; I1029-M1062 HydrophobicContact CG2-CG 4.43Å; I1029-M1062 HydrophobicContact CG2-SD 4.14Å | ||
| 1030 | N | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -73.8 | 80.2 | 176.2 | -167.7 | -44.3 | 0 | 0 | 0 | 110.9 | N1003 V1008 T1048 Q1049 R1226 | N1003-N1030 PolarHBondContact OD1-ND2 3.45Å; V1008-N1030 PolarHBondContact O-ND2 3.48Å; N1030-T1048 WeakPolarHBondContact O-CA 3.36Å; N1030-T1048 PolarHBondContact O-OG1 3.42Å; N1030-Q1049 HydrophobicContact CB-CG 4.17Å; N1030-Q1049 PolarHBondContact O-N 2.68Å; N1030-R1226 PolarHBondContact OD1-NH1 3.34Å; N1030-R1226 PolarHBondContact OD1-NH2 3.02Å |
| 1031 | A | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 142 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P1010 Q1015 V1016 I1029 I1046 A1047 M1062 | P1010-A1031 WeakPolarHBondContact CB-O 3.37Å; Q1015-A1031 WeakPolarHBondContact CA-O 3.02Å; V1016-A1031 HydrophobicContact CB-CB 3.93Å; V1016-A1031 HydrophobicContact CG2-CB 3.63Å; V1016-A1031 PolarHBondContact N-O 2.78Å; I1029-A1031 HydrophobicContact CG2-CB 4.12Å; I1029-A1031 PolarHBondContact O-N 3.49Å; A1031-I1046 HydrophobicContact CB-CG2 3.92Å; A1031-A1047 CarbonylContact C-O 3.58Å; A1031-A1047 WeakPolarHBondContact CA-O 3.43Å; A1031-M1062 HydrophobicContact CB-SD 3.6Å |
| 1032 | S | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.8 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | P1010 N1014 I1034 I1046 A1047 R1226 | P1010-S1032 WeakPolarHBondContact CA-OG 3.47Å; P1010-S1032 WeakPolarHBondContact CB-OG 3.43Å; N1014-S1032 CarbonylContact O-C 3.57Å; N1014-S1032 WeakPolarHBondContact O-CA 3.46Å; S1032-I1034 PolarHBondContact O-N 2.91Å; S1032-I1046 CarbonylContact O-C 3.56Å; S1032-I1046 WeakPolarHBondContact O-CA 3.41Å; S1032-A1047 PolarHBondContact N-O 2.95Å; S1032-A1047 PolarHBondContact O-N 3.09Å; S1032-R1226 WeakPolarHBondContact OG-CD 3.36Å; S1032-R1226 WeakPolarHBondContact OG-CG 3.46Å; S1032-R1226 PolarHBondContact OG-NH1 3.3Å |
| 1033 | H | 98.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 125.2 | 161.9 | -73.2 | -59.8 | 0 | 0 | 0 | 109.5 | N1014 H1044 I1046 Q1066 | N1014-H1033 PolarHBondContact ND2-O 2.83Å; N1014-H1033 PolarHBondContact O-N 3.12Å; H1033-H1044 AromaticContact CE1-NE2 3.94Å; H1033-H1044 AromaticContact CG-NE2 3.77Å; H1033-H1044 AromaticContact ND1-CE1 3.75Å; H1033-H1044 AromaticContact ND1-NE2 3.14Å; H1033-H1044 PolarHBondContact ND1-NE2 3.46Å; H1033-H1044 VanDerWaalsContact ND1-NE2 3.14Å; H1033-I1046 WeakPolarHBondContact ND1-CG1 3.34Å; H1033-Q1066 PolarHBondContact CE1-OE1 2.94Å; H1033-Q1066 VanDerWaalsContact CE1-OE1 3.3Å |
| 1034 | I | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.4 | 171.6 | -46.3 | -62.3 | 0 | 0 | 0 | 107.4 | S1032 V1036 H1044 Y1045 A1047 L1222 Q1225 R1226 | S1032-I1034 PolarHBondContact O-N 2.91Å; I1034-V1036 HydrophobicContact CG2-CG2 4.4Å; I1034-H1044 WeakPolarHBondContact O-CA 3.25Å; I1034-Y1045 PolarHBondContact N-O 3.49Å; I1034-Y1045 PolarHBondContact O-N 2.94Å; I1034-A1047 HydrophobicContact CD1-CB 4.23Å; I1034-A1047 HydrophobicContact CG1-CB 3.8Å; I1034-L1222 HydrophobicContact CG2-CD2 3.54Å; I1034-Q1225 HydrophobicContact CD1-CB 3.76Å; I1034-R1226 HydrophobicContact CD1-CB 3.8Å |
| 1035 | K | 96.9 | Very high | 94.5 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 33% | 0.326 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.2 | 177.3 | -74.9 | 171.3 | 169.4 | -81.3 | 0 | 108.7 | E1042 W1043 H1044 Q1225 | K1035-E1042 WeakPolarHBondContact CD-OE2 3.48Å; K1035-E1042 HydrophobicContact CG-CG 4.46Å; K1035-E1042 IonicContact NZ-OE1 3.74Å; K1035-E1042 PolarHBondContact NZ-OE1 2.87Å; K1035-E1042 IonicContact NZ-OE2 3.87Å; K1035-E1042 PolarHBondContact NZ-OE2 2.85Å; K1035-W1043 WeakPolarHBondContact CA-O 3.28Å; K1035-H1044 HydrophobicContact CG-CB 4.46Å; K1035-H1044 VanDerWaalsContact CG-CD2 3.47Å; K1035-H1044 WeakPolarHBondContact CG-CD2 3.44Å; K1035-Q1225 PolarHBondContact O-NE2 3.29Å; K1035-Q1225 PolarHBondContact O-OE1 2.95Å |
| 1036 | V | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.8 | 177.5 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | I1034 I1038 W1043 L1202 M1218 L1222 | I1034-V1036 HydrophobicContact CG2-CG2 4.4Å; V1036-I1038 HydrophobicContact CG1-CG1 4.21Å; V1036-W1043 PolarHBondContact N-O 3.48Å; V1036-W1043 VanDerWaalsContact N-O 3.15Å; V1036-W1043 PolarHBondContact O-N 3.33Å; V1036-L1202 HydrophobicContact CB-CD1 4.21Å; V1036-L1202 HydrophobicContact CB-CD2 4.02Å; V1036-L1202 HydrophobicContact CG1-CD1 4.37Å; V1036-L1202 HydrophobicContact CG1-CD2 4.09Å; V1036-L1202 HydrophobicContact CG2-CD1 3.84Å; V1036-M1218 HydrophobicContact CG1-CE 3.86Å; V1036-M1218 HydrophobicContact CG1-SD 3.76Å; V1036-M1218 HydrophobicContact CG2-SD 4.38Å; V1036-L1222 HydrophobicContact CG2-CD2 4.29Å |
| 1037 | M | 92.5 | Very high | 95 | Very high | 113 Ų | 113 | 32.3 Ų | 32.3 | 56% | 0.557 | 16% | 0.162 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 106.8 | -179.9 | -69.3 | -58.3 | -53.4 | 0 | 0 | 110.7 | G1040 E1042 | M1037-G1040 VanDerWaalsContact CE-C 3.47Å; M1037-G1040 WeakPolarHBondContact CE-O 3.45Å; M1037-E1042 HydrophobicContact CE-CB 4.37Å; M1037-E1042 HydrophobicContact SD-CB 3.59Å; M1037-E1042 VanDerWaalsContact SD-CB 3.59Å; M1037-E1042 HydrophobicContact SD-CG 3.8Å |
| 1038 | I | 90.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.4 | 173.7 | -64.3 | 179.6 | 0 | 0 | 0 | 107.5 | V1036 G1040 E1041 L1202 | V1036-I1038 HydrophobicContact CG1-CG1 4.21Å; I1038-G1040 PolarHBondContact O-N 2.95Å; I1038-E1041 PolarHBondContact N-O 2.92Å; I1038-E1041 PolarHBondContact O-N 2.59Å; I1038-L1202 HydrophobicContact CD1-CB 4.22Å; I1038-L1202 HydrophobicContact CD1-CD2 3.65Å |
| 1039 | R | 84.7 | Confident | 95.1 | Very high | 155 Ų | 155 | 32.3 Ų | 32.3 | 59% | 0.585 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 20.4 | 174.3 | -49 | 177.3 | 85.6 | -130.1 | 4.4 | 116.1 | H1209 E1211 | R1039-H1209 PolarHBondContact NH1-CD2 3.32Å; R1039-E1211 VanDerWaalsContact CD-OE1 3.29Å; R1039-E1211 WeakPolarHBondContact CD-OE1 3.44Å; R1039-E1211 HydrophobicContact CG-CG 3.57Å; R1039-E1211 WeakPolarHBondContact CG-OE1 3.35Å; R1039-E1211 IonicContact CZ-OE1 3.91Å; R1039-E1211 IonicContact NE-OE1 2.64Å; R1039-E1211 PolarHBondContact NE-OE1 2.81Å; R1039-E1211 IonicContact NH2-OE1 2.96Å |
| 1040 | G | 83.7 | Confident | 95.1 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 67% | 0.67 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -2.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1037 I1038 | M1037-G1040 VanDerWaalsContact CE-C 3.47Å; M1037-G1040 WeakPolarHBondContact CE-O 3.45Å; I1038-G1040 PolarHBondContact O-N 2.95Å |
| 1041 | E | 86.7 | Confident | 95.1 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 46% | 0.463 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.4 | 165.3 | -174.7 | 165.8 | -162.9 | 0 | 0 | 110.3 | I1038 | I1038-E1041 PolarHBondContact N-O 2.92Å; I1038-E1041 PolarHBondContact O-N 2.59Å |
| 1042 | E | 91.5 | Very high | 95.1 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 29% | 0.29 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.8 | 174.6 | -169.1 | -169.9 | 75.2 | 0 | 0 | 110.4 | K1035 M1037 H1044 | K1035-E1042 WeakPolarHBondContact CD-OE2 3.48Å; K1035-E1042 HydrophobicContact CG-CG 4.46Å; K1035-E1042 IonicContact NZ-OE1 3.74Å; K1035-E1042 PolarHBondContact NZ-OE1 2.87Å; K1035-E1042 IonicContact NZ-OE2 3.87Å; K1035-E1042 PolarHBondContact NZ-OE2 2.85Å; M1037-E1042 HydrophobicContact CE-CB 4.37Å; M1037-E1042 HydrophobicContact SD-CB 3.59Å; M1037-E1042 VanDerWaalsContact SD-CB 3.59Å; M1037-E1042 HydrophobicContact SD-CG 3.8Å; E1042-H1044 PolarHBondContact O-N 2.93Å |
| 1043 | W | 94.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 37 Ų | 37 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 95.2 | 171.8 | -73.1 | 78.4 | 0 | 0 | 0 | 109.9 | K1035 V1036 Y1045 E1201 L1202 S1205 | K1035-W1043 WeakPolarHBondContact CA-O 3.28Å; V1036-W1043 PolarHBondContact N-O 3.48Å; V1036-W1043 VanDerWaalsContact N-O 3.15Å; V1036-W1043 PolarHBondContact O-N 3.33Å; W1043-Y1045 HydrophobicContact CB-CE2 4.02Å; W1043-Y1045 HydrophobicContact CE3-CE2 4.33Å; W1043-Y1045 VanDerWaalsContact CE3-OH 3.26Å; W1043-E1201 HydrophobicContact CZ3-CG 3.95Å; W1043-L1202 HydrophobicContact CB-CD2 3.65Å; W1043-L1202 HydrophobicContact CD2-CD2 4Å; W1043-L1202 HydrophobicContact CE3-CD2 4.34Å; W1043-L1202 HydrophobicContact CG-CD2 3.7Å; W1043-S1205 VanDerWaalsContact CZ2-OG 3.28Å; W1043-S1205 WeakPolarHBondContact CZ2-OG 3.33Å |
| 1044 | H | 96.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.4 | 179.5 | -167.5 | -159.3 | 0 | 0 | 0 | 112.2 | H1033 I1034 K1035 E1042 P1182 V1183 | H1033-H1044 AromaticContact CE1-NE2 3.94Å; H1033-H1044 AromaticContact CG-NE2 3.77Å; H1033-H1044 AromaticContact ND1-CE1 3.75Å; H1033-H1044 AromaticContact ND1-NE2 3.14Å; H1033-H1044 PolarHBondContact ND1-NE2 3.46Å; H1033-H1044 VanDerWaalsContact ND1-NE2 3.14Å; I1034-H1044 WeakPolarHBondContact O-CA 3.25Å; K1035-H1044 HydrophobicContact CG-CB 4.46Å; K1035-H1044 VanDerWaalsContact CG-CD2 3.47Å; K1035-H1044 WeakPolarHBondContact CG-CD2 3.44Å; E1042-H1044 PolarHBondContact O-N 2.93Å; H1044-P1182 HydrophobicContact CB-CB 4.43Å; H1044-P1182 WeakPolarHBondContact O-CA 3.42Å; H1044-V1183 PolarHBondContact O-N 3.25Å |
| 1045 | Y | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 165.6 | 173.6 | -54.7 | -98.5 | 0 | 0 | 0 | 111.3 | I1034 W1043 R1166 V1183 V1185 I1198 E1201 L1202 | I1034-Y1045 PolarHBondContact N-O 3.49Å; I1034-Y1045 PolarHBondContact O-N 2.94Å; W1043-Y1045 HydrophobicContact CB-CE2 4.02Å; W1043-Y1045 HydrophobicContact CE3-CE2 4.33Å; W1043-Y1045 VanDerWaalsContact CE3-OH 3.26Å; Y1045-R1166 VanDerWaalsContact CE1-NH2 3.28Å; Y1045-V1183 CarbonylContact C-O 3.58Å; Y1045-V1183 VanDerWaalsContact CA-O 3.24Å; Y1045-V1183 WeakPolarHBondContact CA-O 3.35Å; Y1045-V1183 HydrophobicContact CD1-CB 4.14Å; Y1045-V1185 HydrophobicContact CD1-CG2 3.81Å; Y1045-V1185 HydrophobicContact CE1-CG2 4.41Å; Y1045-I1198 HydrophobicContact CD1-CD1 4.16Å; Y1045-I1198 HydrophobicContact CD1-CG1 3.92Å; Y1045-I1198 HydrophobicContact CD2-CG2 4.13Å; Y1045-I1198 HydrophobicContact CE1-CG1 4.05Å; Y1045-I1198 HydrophobicContact CE2-CG2 3.97Å; Y1045-I1198 HydrophobicContact CG-CD1 4.05Å; Y1045-I1198 HydrophobicContact CG-CG1 4.17Å; Y1045-E1201 WeakPolarHBondContact CE1-OE2 3.04Å; Y1045-E1201 PolarHBondContact OH-OE2 2.85Å; Y1045-L1202 HydrophobicContact CE2-CD1 4.44Å; Y1045-L1202 HydrophobicContact CE2-CD2 4.18Å; Y1045-L1202 HydrophobicContact CE2-CG 4.3Å |
| 1046 | I | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.7 | 161.9 | -72 | 167.7 | 0 | 0 | 0 | 108.3 | V1016 A1031 S1032 H1033 M1062 Q1066 V1068 P1182 V1183 V1184 V1185 | V1016-I1046 HydrophobicContact CG1-CD1 4.39Å; V1016-I1046 HydrophobicContact CG2-CD1 4.2Å; V1016-I1046 HydrophobicContact CG2-CG1 3.99Å; V1016-I1046 HydrophobicContact CG2-CG2 3.83Å; A1031-I1046 HydrophobicContact CB-CG2 3.92Å; S1032-I1046 CarbonylContact O-C 3.56Å; S1032-I1046 WeakPolarHBondContact O-CA 3.41Å; H1033-I1046 WeakPolarHBondContact ND1-CG1 3.34Å; I1046-M1062 HydrophobicContact CG2-CE 3.87Å; I1046-M1062 HydrophobicContact CG2-SD 3.77Å; I1046-Q1066 HydrophobicContact CD1-CB 3.77Å; I1046-Q1066 HydrophobicContact CD1-CG 3.85Å; I1046-V1068 HydrophobicContact CD1-CG2 4.32Å; I1046-P1182 HydrophobicContact CD1-CB 4.07Å; I1046-P1182 HydrophobicContact CD1-CG 3.64Å; I1046-P1182 HydrophobicContact CG1-CB 3.95Å; I1046-P1182 HydrophobicContact CG1-CG 4.07Å; I1046-V1183 PolarHBondContact N-O 2.79Å; I1046-V1184 HydrophobicContact CB-CG2 3.86Å; I1046-V1184 HydrophobicContact CD1-CG2 4.26Å; I1046-V1184 HydrophobicContact CG2-CG2 4.12Å; I1046-V1184 CarbonylContact O-C 3.57Å; I1046-V1184 WeakPolarHBondContact O-CA 3.41Å; I1046-V1185 PolarHBondContact O-N 3.44Å |
| 1047 | A | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1031 S1032 I1034 T1194 I1198 | A1031-A1047 CarbonylContact C-O 3.58Å; A1031-A1047 WeakPolarHBondContact CA-O 3.43Å; S1032-A1047 PolarHBondContact N-O 2.95Å; S1032-A1047 PolarHBondContact O-N 3.09Å; I1034-A1047 HydrophobicContact CD1-CB 4.23Å; I1034-A1047 HydrophobicContact CG1-CB 3.8Å; A1047-T1194 HydrophobicContact CB-CG2 3.8Å; A1047-I1198 HydrophobicContact CB-CD1 4.2Å |
| 1048 | T | 98.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 160.1 | -171.9 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | N1030 F1059 M1062 V1184 V1185 H1186 G1190 | N1030-T1048 WeakPolarHBondContact O-CA 3.36Å; N1030-T1048 PolarHBondContact O-OG1 3.42Å; T1048-F1059 HydrophobicContact CG2-CE2 4.04Å; T1048-M1062 HydrophobicContact CG2-CE 4.24Å; T1048-V1184 HydrophobicContact CG2-CG1 3.8Å; T1048-V1185 PolarHBondContact N-O 3.03Å; T1048-H1186 HydrophobicContact CG2-CB 3.74Å; T1048-H1186 WeakPolarHBondContact O-CA 3.31Å; T1048-H1186 WeakPolarHBondContact O-CB 3.42Å; T1048-G1190 WeakPolarHBondContact O-CA 3.47Å |
| 1049 | Q | 98.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 161 | 174.3 | 71.9 | -178.6 | 15.4 | 0 | 0 | 112.7 | R1002 N1030 P1051 S1188 | R1002-Q1049 PolarHBondContact O-NE2 2.98Å; N1030-Q1049 HydrophobicContact CB-CG 4.17Å; N1030-Q1049 PolarHBondContact O-N 2.68Å; Q1049-P1051 WeakPolarHBondContact O-CD 3.33Å; Q1049-S1188 CarbonylContact C-O 3.57Å; Q1049-S1188 WeakPolarHBondContact CA-O 3.49Å; Q1049-S1188 WeakPolarHBondContact CB-O 3.48Å |
| 1050 | G | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 117.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110 | R1004 H1186 C1187 S1188 | R1004-G1050 PolarHBondContact NE-O 3.31Å; R1004-G1050 PolarHBondContact NH2-O 3.01Å; G1050-H1186 WeakPolarHBondContact CA-ND1 3.4Å; G1050-C1187 WeakPolarHBondContact CA-O 3.43Å; G1050-C1187 PolarHBondContact N-O 3.41Å; G1050-S1188 PolarHBondContact N-O 3.3Å |
| 1051 | P | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 142.4 | -169.7 | -33.8 | 38.8 | 0 | 0 | 0 | 114.1 | R1004 Q1049 F1059 H1086 Y1088 | R1004-P1051 PolarHBondContact NH2-O 2.93Å; Q1049-P1051 WeakPolarHBondContact O-CD 3.33Å; P1051-F1059 HydrophobicContact CB-CB 4.43Å; P1051-F1059 HydrophobicContact CG-CB 4.04Å; P1051-F1059 HydrophobicContact CG-CD1 4.19Å; P1051-F1059 HydrophobicContact CG-CD2 3.47Å; P1051-F1059 VanDerWaalsContact CG-CD2 3.47Å; P1051-F1059 HydrophobicContact CG-CE2 3.88Å; P1051-F1059 HydrophobicContact CG-CG 3.63Å; P1051-F1059 HydrophobicContact CG-CZ 4.4Å; P1051-H1086 WeakPolarHBondContact O-CB 3.46Å; P1051-H1086 PolarHBondContact O-N 3.41Å; P1051-Y1088 HydrophobicContact CB-CD1 4.14Å; P1051-Y1088 HydrophobicContact CG-CD1 3.64Å; P1051-Y1088 HydrophobicContact CG-CE1 4.01Å; P1051-Y1088 HydrophobicContact CG-CG 4.16Å |
| 1052 | L | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 17.2 Ų | 17.2 | 17% | 0.173 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 163.6 | 169.2 | -62.9 | 168 | 0 | 0 | 0 | 109.1 | R1004 N1054 T1055 C1056 | R1004-L1052 HydrophobicContact CB-CD1 4.41Å; R1004-L1052 HydrophobicContact CB-CD2 4.01Å; R1004-L1052 HydrophobicContact CB-CG 4.32Å; R1004-L1052 HydrophobicContact CG-CD2 4.08Å; L1052-N1054 VanDerWaalsContact C-N 3.29Å; L1052-N1054 WeakPolarHBondContact CB-OD1 3.39Å; L1052-N1054 PolarHBondContact O-N 3.07Å; L1052-T1055 HydrophobicContact CB-CG2 4.17Å; L1052-T1055 HydrophobicContact CD1-CG2 4.28Å; L1052-T1055 PolarHBondContact N-OG1 3.44Å; L1052-T1055 PolarHBondContact O-N 3.27Å; L1052-C1056 PolarHBondContact O-N 3.04Å; L1052-C1056 PolarHBondContact O-SG 3.29Å |
| 1053 | A | 96.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 14.4 Ų | 14.4 | 57% | 0.57 | 9% | 0.089 | S | C | * | . | S | Bend | trans | -61.9 | -37.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1054 | N | 95.8 | Very high | 98 | Very high | 88 Ų | 88 | 14.9 Ų | 14.9 | 47% | 0.471 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -43.2 | 172.1 | 56.7 | -18 | 0 | 0 | 0 | 112.1 | E1001 L1052 C1056 | E1001-N1054 PolarHBondContact O-ND2 3.27Å; L1052-N1054 VanDerWaalsContact C-N 3.29Å; L1052-N1054 WeakPolarHBondContact CB-OD1 3.39Å; L1052-N1054 PolarHBondContact O-N 3.07Å; N1054-C1056 VanDerWaalsContact C-N 3.29Å; N1054-C1056 PolarHBondContact O-N 2.97Å |
| 1055 | T | 97.8 | Very high | 98 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 7.1 | -175 | 76.2 | 0 | 0 | 0 | 0 | 115.2 | R1002 L1052 G1057 D1058 F1059 | R1002-T1055 HydrophobicContact CB-CG2 3.93Å; R1002-T1055 HydrophobicContact CG-CG2 4.11Å; L1052-T1055 HydrophobicContact CB-CG2 4.17Å; L1052-T1055 HydrophobicContact CD1-CG2 4.28Å; L1052-T1055 PolarHBondContact N-OG1 3.44Å; L1052-T1055 PolarHBondContact O-N 3.27Å; T1055-G1057 VanDerWaalsContact C-N 3.25Å; T1055-G1057 PolarHBondContact O-N 3.5Å; T1055-D1058 WeakPolarHBondContact CA-OD2 3.46Å; T1055-D1058 PolarHBondContact O-N 2.87Å; T1055-F1059 WeakPolarHBondContact O-CB 3.34Å; T1055-F1059 PolarHBondContact O-N 3.31Å |
| 1056 | C | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.3 | -26.7 | 177.6 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | L1052 N1054 W1060 Y1101 | L1052-C1056 PolarHBondContact O-N 3.04Å; L1052-C1056 PolarHBondContact O-SG 3.29Å; N1054-C1056 VanDerWaalsContact C-N 3.29Å; N1054-C1056 PolarHBondContact O-N 2.97Å; C1056-W1060 VanDerWaalsContact O-CD1 3.29Å; C1056-W1060 PolarHBondContact O-N 3Å; C1056-Y1101 HydrophobicContact CB-CD1 3.78Å; C1056-Y1101 HydrophobicContact CB-CE1 4.41Å |
| 1057 | G | 97.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 20.9 Ų | 20.9 | 23% | 0.227 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.4 | -51.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1055 F1059 W1060 Q1061 | T1055-G1057 VanDerWaalsContact C-N 3.25Å; T1055-G1057 PolarHBondContact O-N 3.5Å; G1057-F1059 VanDerWaalsContact C-N 3.32Å; G1057-F1059 PolarHBondContact O-N 3.45Å; G1057-W1060 PolarHBondContact O-N 3.07Å; G1057-Q1061 PolarHBondContact O-N 3.35Å |
| 1058 | D | 98.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 177.2 | -53.9 | -63.8 | 0 | 0 | 0 | 111.7 | L1018 N1024 I1029 T1055 W1060 Q1061 M1062 | L1018-D1058 HydrophobicContact CD1-CB 3.8Å; L1018-D1058 WeakPolarHBondContact CD1-O 3.42Å; N1024-D1058 PolarHBondContact ND2-OD1 3.07Å; I1029-D1058 HydrophobicContact CD1-CB 4.08Å; T1055-D1058 WeakPolarHBondContact CA-OD2 3.46Å; T1055-D1058 PolarHBondContact O-N 2.87Å; D1058-W1060 PolarHBondContact O-N 3.49Å; D1058-Q1061 WeakPolarHBondContact O-CB 3.31Å; D1058-Q1061 PolarHBondContact O-N 3.03Å; D1058-M1062 PolarHBondContact O-N 3.27Å |
| 1059 | F | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.7 | -178.3 | -91.5 | 0 | 0 | 0 | 111.9 | I1029 T1048 P1051 T1055 G1057 Q1061 M1062 I1063 I1071 Y1088 V1184 | I1029-F1059 HydrophobicContact CD1-CB 4.27Å; T1048-F1059 HydrophobicContact CG2-CE2 4.04Å; P1051-F1059 HydrophobicContact CB-CB 4.43Å; P1051-F1059 HydrophobicContact CG-CB 4.04Å; P1051-F1059 HydrophobicContact CG-CD1 4.19Å; P1051-F1059 HydrophobicContact CG-CD2 3.47Å; P1051-F1059 VanDerWaalsContact CG-CD2 3.47Å; P1051-F1059 HydrophobicContact CG-CE2 3.88Å; P1051-F1059 HydrophobicContact CG-CG 3.63Å; P1051-F1059 HydrophobicContact CG-CZ 4.4Å; T1055-F1059 WeakPolarHBondContact O-CB 3.34Å; T1055-F1059 PolarHBondContact O-N 3.31Å; G1057-F1059 VanDerWaalsContact C-N 3.32Å; G1057-F1059 PolarHBondContact O-N 3.45Å; F1059-Q1061 VanDerWaalsContact C-N 3.3Å; F1059-Q1061 PolarHBondContact O-N 3.33Å; F1059-M1062 HydrophobicContact CD2-CE 4.08Å; F1059-M1062 HydrophobicContact CE2-CE 4.08Å; F1059-M1062 VanDerWaalsContact O-CB 3.28Å; F1059-M1062 WeakPolarHBondContact O-CB 3.47Å; F1059-M1062 PolarHBondContact O-N 3.42Å; F1059-I1063 HydrophobicContact CD1-CG1 4.05Å; F1059-I1063 HydrophobicContact CE1-CD1 3.93Å; F1059-I1063 HydrophobicContact CE1-CG1 3.72Å; F1059-I1063 HydrophobicContact CE2-CD1 4.45Å; F1059-I1063 HydrophobicContact CZ-CD1 3.89Å; F1059-I1063 HydrophobicContact CZ-CG1 4.21Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.41Å; F1059-I1063 PolarHBondContact O-N 3.2Å; F1059-I1071 HydrophobicContact CE1-CD1 4.07Å; F1059-I1071 HydrophobicContact CZ-CD1 4.18Å; F1059-I1071 HydrophobicContact CZ-CG2 4.3Å; F1059-Y1088 AromaticContact CD1-CD2 3.88Å; F1059-Y1088 HydrophobicContact CD1-CD2 3.88Å; F1059-Y1088 HydrophobicContact CD1-CE2 4.12Å; F1059-Y1088 HydrophobicContact CD1-CG 4.32Å; F1059-Y1088 AromaticContact CE1-CD2 3.54Å; F1059-Y1088 HydrophobicContact CE1-CD2 3.54Å; F1059-Y1088 AromaticContact CE1-CE2 3.3Å; F1059-Y1088 HydrophobicContact CE1-CE2 3.3Å; F1059-Y1088 HydrophobicContact CE1-CG 4.26Å; F1059-Y1088 AromaticContact CE1-CZ 3.83Å; F1059-Y1088 HydrophobicContact CZ-CD2 4.37Å; F1059-Y1088 HydrophobicContact CZ-CE1 4.5Å; F1059-Y1088 AromaticContact CZ-CE2 3.81Å; F1059-Y1088 HydrophobicContact CZ-CE2 3.81Å; F1059-Y1088 AromaticContact CZ-CZ 3.86Å; F1059-V1184 HydrophobicContact CE2-CG1 4.15Å; F1059-V1184 HydrophobicContact CZ-CG1 4.27Å |
| 1060 | W | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.4 | -24.9 | 177.3 | -75.9 | 111 | 0 | 0 | 0 | 113.6 | C1056 G1057 D1058 I1063 W1064 I1071 Y1088 W1089 Y1101 F1104 V1106 L1122 V1124 | C1056-W1060 VanDerWaalsContact O-CD1 3.29Å; C1056-W1060 PolarHBondContact O-N 3Å; G1057-W1060 PolarHBondContact O-N 3.07Å; D1058-W1060 PolarHBondContact O-N 3.49Å; W1060-I1063 HydrophobicContact CE3-CB 3.89Å; W1060-I1063 HydrophobicContact CE3-CG1 3.87Å; W1060-I1063 HydrophobicContact CE3-CG2 3.98Å; W1060-I1063 HydrophobicContact CZ3-CB 4.22Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.06Å; W1060-I1063 HydrophobicContact CZ3-CG2 3.87Å; W1060-W1064 WeakPolarHBondContact O-CB 3.43Å; W1060-W1064 PolarHBondContact O-N 3.25Å; W1060-W1064 VanDerWaalsContact O-N 3.11Å; W1060-I1071 HydrophobicContact CH2-CD1 4.06Å; W1060-I1071 HydrophobicContact CZ3-CD1 4.24Å; W1060-Y1088 AromaticContact CE2-CD2 3.88Å; W1060-Y1088 AromaticContact CZ2-CD2 3.63Å; W1060-Y1088 HydrophobicContact CZ2-CD2 3.63Å; W1060-Y1088 HydrophobicContact CZ2-CE2 4Å; W1060-Y1088 AromaticContact NE1-CD2 3.83Å; W1060-Y1088 PolarHBondContact NE1-O 2.85Å; W1060-W1089 HydrophobicContact CZ2-CB 4.45Å; W1060-Y1101 AromaticContact CD1-CD2 3.64Å; W1060-Y1101 AromaticContact CD1-CG 3.69Å; W1060-Y1101 AromaticContact NE1-CD2 3.57Å; W1060-Y1101 AromaticContact NE1-CE2 3.97Å; W1060-Y1101 AromaticContact NE1-CG 3.99Å; W1060-F1104 HydrophobicContact CB-CB 3.92Å; W1060-F1104 HydrophobicContact CB-CD2 3.8Å; W1060-F1104 HydrophobicContact CB-CG 3.98Å; W1060-V1106 HydrophobicContact CD2-CG2 3.68Å; W1060-V1106 VanDerWaalsContact CE2-CG2 3.48Å; W1060-V1106 HydrophobicContact CE3-CG2 4.13Å; W1060-V1106 HydrophobicContact CG-CG2 4.12Å; W1060-V1106 HydrophobicContact CH2-CG1 4.14Å; W1060-V1106 HydrophobicContact CH2-CG2 4.25Å; W1060-V1106 HydrophobicContact CZ2-CB 4.46Å; W1060-V1106 HydrophobicContact CZ2-CG1 3.88Å; W1060-V1106 HydrophobicContact CZ2-CG2 3.77Å; W1060-V1106 HydrophobicContact CZ3-CG2 4.4Å; W1060-L1122 HydrophobicContact CH2-CD1 3.69Å; W1060-L1122 HydrophobicContact CZ2-CD1 4.15Å; W1060-V1124 HydrophobicContact CE3-CG1 4.31Å; W1060-V1124 HydrophobicContact CE3-CG2 3.89Å; W1060-V1124 HydrophobicContact CH2-CG2 4.16Å; W1060-V1124 HydrophobicContact CZ3-CG2 3.44Å; W1060-V1124 VanDerWaalsContact CZ3-CG2 3.44Å |
| 1061 | Q | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.028 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 167.2 | -171.3 | 169.6 | -28.6 | 0 | 0 | 110.7 | L1018 V1019 N1021 G1057 D1058 F1059 I1063 W1064 E1065 F1104 | L1018-Q1061 HydrophobicContact CD1-CB 4.45Å; V1019-Q1061 PolarHBondContact O-NE2 2.95Å; N1021-Q1061 PolarHBondContact ND2-OE1 3.42Å; G1057-Q1061 PolarHBondContact O-N 3.35Å; D1058-Q1061 WeakPolarHBondContact O-CB 3.31Å; D1058-Q1061 PolarHBondContact O-N 3.03Å; F1059-Q1061 VanDerWaalsContact C-N 3.3Å; F1059-Q1061 PolarHBondContact O-N 3.33Å; Q1061-I1063 PolarHBondContact O-N 3.48Å; Q1061-W1064 PolarHBondContact O-N 2.87Å; Q1061-W1064 VanDerWaalsContact O-N 3.12Å; Q1061-E1065 VanDerWaalsContact CG-CD 3.43Å; Q1061-E1065 HydrophobicContact CG-CG 4.24Å; Q1061-E1065 WeakPolarHBondContact CG-OE1 3.23Å; Q1061-E1065 PolarHBondContact NE2-OE1 3.08Å; Q1061-E1065 PolarHBondContact NE2-OE2 3.18Å; Q1061-E1065 WeakPolarHBondContact O-CB 3.34Å; Q1061-E1065 PolarHBondContact O-N 2.9Å; Q1061-F1104 VanDerWaalsContact CA-CE2 3.41Å; Q1061-F1104 HydrophobicContact CB-CE2 3.76Å; Q1061-F1104 HydrophobicContact CB-CZ 4.31Å; Q1061-F1104 HydrophobicContact CG-CE2 4.29Å; Q1061-F1104 HydrophobicContact CG-CZ 4.45Å |
| 1062 | M | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.1 | -50.9 | 174.6 | -166.3 | -168.1 | 68.8 | 0 | 0 | 112.3 | V1016 L1018 I1029 A1031 I1046 T1048 D1058 F1059 W1064 Q1066 V1184 | V1016-M1062 HydrophobicContact CB-CG 4.41Å; V1016-M1062 HydrophobicContact CB-SD 4.33Å; V1016-M1062 HydrophobicContact CG1-CG 3.66Å; V1016-M1062 HydrophobicContact CG1-SD 4.17Å; V1016-M1062 HydrophobicContact CG2-SD 4.45Å; L1018-M1062 HydrophobicContact CD2-CB 3.64Å; L1018-M1062 HydrophobicContact CD2-CG 3.96Å; I1029-M1062 HydrophobicContact CD1-CB 4.25Å; I1029-M1062 HydrophobicContact CD1-SD 4.03Å; I1029-M1062 HydrophobicContact CG2-CG 4.43Å; I1029-M1062 HydrophobicContact CG2-SD 4.14Å; A1031-M1062 HydrophobicContact CB-SD 3.6Å; I1046-M1062 HydrophobicContact CG2-CE 3.87Å; I1046-M1062 HydrophobicContact CG2-SD 3.77Å; T1048-M1062 HydrophobicContact CG2-CE 4.24Å; D1058-M1062 PolarHBondContact O-N 3.27Å; F1059-M1062 HydrophobicContact CD2-CE 4.08Å; F1059-M1062 HydrophobicContact CE2-CE 4.08Å; F1059-M1062 VanDerWaalsContact O-CB 3.28Å; F1059-M1062 WeakPolarHBondContact O-CB 3.47Å; F1059-M1062 PolarHBondContact O-N 3.42Å; M1062-W1064 PolarHBondContact O-N 2.89Å; M1062-Q1066 HydrophobicContact CG-CG 4.32Å; M1062-Q1066 VanDerWaalsContact O-CB 3.26Å; M1062-Q1066 WeakPolarHBondContact O-CB 3.15Å; M1062-Q1066 WeakPolarHBondContact O-CG 3.18Å; M1062-Q1066 PolarHBondContact O-N 3.01Å; M1062-V1184 HydrophobicContact CE-CG1 4.07Å; M1062-V1184 HydrophobicContact CE-CG2 3.85Å |
| 1063 | I | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.9 | -42.1 | 176.4 | -60.8 | -49.4 | 0 | 0 | 0 | 110.8 | F1059 W1060 Q1061 V1068 I1071 R1133 V1135 V1184 | F1059-I1063 HydrophobicContact CD1-CG1 4.05Å; F1059-I1063 HydrophobicContact CE1-CD1 3.93Å; F1059-I1063 HydrophobicContact CE1-CG1 3.72Å; F1059-I1063 HydrophobicContact CE2-CD1 4.45Å; F1059-I1063 HydrophobicContact CZ-CD1 3.89Å; F1059-I1063 HydrophobicContact CZ-CG1 4.21Å; F1059-I1063 WeakPolarHBondContact O-CG1 3.41Å; F1059-I1063 PolarHBondContact O-N 3.2Å; W1060-I1063 HydrophobicContact CE3-CB 3.89Å; W1060-I1063 HydrophobicContact CE3-CG1 3.87Å; W1060-I1063 HydrophobicContact CE3-CG2 3.98Å; W1060-I1063 HydrophobicContact CZ3-CB 4.22Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.06Å; W1060-I1063 HydrophobicContact CZ3-CG2 3.87Å; Q1061-I1063 PolarHBondContact O-N 3.48Å; I1063-V1068 HydrophobicContact CD1-CB 4.31Å; I1063-V1068 HydrophobicContact CD1-CG1 4.06Å; I1063-V1068 HydrophobicContact CG2-CB 4.06Å; I1063-V1068 HydrophobicContact CG2-CG1 4.35Å; I1063-V1068 PolarHBondContact O-N 2.92Å; I1063-I1071 HydrophobicContact CD1-CD1 3.7Å; I1063-I1071 HydrophobicContact CD1-CG1 3.89Å; I1063-I1071 HydrophobicContact CG1-CD1 3.98Å; I1063-R1133 PolarHBondContact O-NH1 2.75Å; I1063-V1135 HydrophobicContact CG2-CG1 4.29Å; I1063-V1135 HydrophobicContact CG2-CG2 3.97Å; I1063-V1184 HydrophobicContact CD1-CB 4.22Å; I1063-V1184 HydrophobicContact CD1-CG1 4.31Å; I1063-V1184 HydrophobicContact CD1-CG2 3.72Å |
| 1064 | W | 97.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 16.8 Ų | 16.8 | 13% | 0.129 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.5 | -52.4 | -177.2 | -169.7 | -91.7 | 0 | 0 | 0 | 112.5 | W1060 Q1061 M1062 G1067 F1104 V1124 H1126 Q1131 R1133 | W1060-W1064 WeakPolarHBondContact O-CB 3.43Å; W1060-W1064 PolarHBondContact O-N 3.25Å; W1060-W1064 VanDerWaalsContact O-N 3.11Å; Q1061-W1064 PolarHBondContact O-N 2.87Å; Q1061-W1064 VanDerWaalsContact O-N 3.12Å; M1062-W1064 PolarHBondContact O-N 2.89Å; W1064-G1067 PolarHBondContact O-N 2.97Å; W1064-F1104 HydrophobicContact CB-CD1 4.15Å; W1064-F1104 HydrophobicContact CB-CE1 3.43Å; W1064-F1104 VanDerWaalsContact CB-CE1 3.43Å; W1064-F1104 HydrophobicContact CB-CZ 3.81Å; W1064-F1104 AromaticContact CD1-CE1 3.92Å; W1064-F1104 HydrophobicContact CD2-CD1 4.29Å; W1064-F1104 AromaticContact CD2-CE1 3.81Å; W1064-F1104 HydrophobicContact CD2-CE1 3.81Å; W1064-F1104 HydrophobicContact CE3-CD1 4.29Å; W1064-F1104 HydrophobicContact CE3-CE1 4.27Å; W1064-F1104 HydrophobicContact CG-CD1 4.22Å; W1064-F1104 AromaticContact CG-CE1 3.4Å; W1064-F1104 HydrophobicContact CG-CE1 3.4Å; W1064-F1104 VanDerWaalsContact CG-CE1 3.4Å; W1064-F1104 HydrophobicContact CG-CZ 4.07Å; W1064-V1124 HydrophobicContact CE3-CG1 3.93Å; W1064-V1124 HydrophobicContact CZ3-CB 4.42Å; W1064-V1124 HydrophobicContact CZ3-CG1 4.18Å; W1064-H1126 HydrophobicContact CD2-CB 4.02Å; W1064-H1126 HydrophobicContact CE3-CB 4.27Å; W1064-H1126 HydrophobicContact CH2-CB 3.89Å; W1064-H1126 HydrophobicContact CZ2-CB 3.59Å; W1064-H1126 HydrophobicContact CZ3-CB 4.21Å; W1064-Q1131 HydrophobicContact CH2-CB 3.87Å; W1064-Q1131 HydrophobicContact CZ2-CB 3.79Å; W1064-R1133 HydrophobicContact CH2-CB 4.35Å; W1064-R1133 HydrophobicContact CZ3-CB 3.85Å; W1064-R1133 PolarHBondContact O-NH1 2.56Å; W1064-R1133 PolarHBondContact O-NH2 2.78Å |
| 1065 | E | 96.3 | Very high | 97.5 | Very high | 74 Ų | 74 | 12.6 Ų | 12.6 | 35% | 0.346 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -66.9 | -42.5 | -174.7 | -71.2 | 173.7 | -178.4 | 0 | 0 | 111.5 | L1018 V1019 Q1061 G1067 | L1018-E1065 WeakPolarHBondContact CA-OE2 3.45Å; V1019-E1065 PolarHBondContact N-OE2 2.69Å; Q1061-E1065 VanDerWaalsContact CG-CD 3.43Å; Q1061-E1065 HydrophobicContact CG-CG 4.24Å; Q1061-E1065 WeakPolarHBondContact CG-OE1 3.23Å; Q1061-E1065 PolarHBondContact NE2-OE1 3.08Å; Q1061-E1065 PolarHBondContact NE2-OE2 3.18Å; Q1061-E1065 WeakPolarHBondContact O-CB 3.34Å; Q1061-E1065 PolarHBondContact O-N 2.9Å; E1065-G1067 PolarHBondContact O-N 2.98Å; E1065-G1067 VanDerWaalsContact O-N 3.09Å |
| 1066 | Q | 96.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 14.2 Ų | 14.2 | 24% | 0.238 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 16.4 | -178.8 | -60.5 | -65.7 | -22.1 | 0 | 0 | 114.2 | V1016 H1033 I1046 M1062 V1068 P1182 | V1016-Q1066 HydrophobicContact CG1-CG 3.66Å; H1033-Q1066 PolarHBondContact CE1-OE1 2.94Å; H1033-Q1066 VanDerWaalsContact CE1-OE1 3.3Å; I1046-Q1066 HydrophobicContact CD1-CB 3.77Å; I1046-Q1066 HydrophobicContact CD1-CG 3.85Å; M1062-Q1066 HydrophobicContact CG-CG 4.32Å; M1062-Q1066 VanDerWaalsContact O-CB 3.26Å; M1062-Q1066 WeakPolarHBondContact O-CB 3.15Å; M1062-Q1066 WeakPolarHBondContact O-CG 3.18Å; M1062-Q1066 PolarHBondContact O-N 3.01Å; Q1066-V1068 HydrophobicContact CB-CG2 3.98Å; Q1066-V1068 PolarHBondContact O-N 2.82Å; Q1066-P1182 HydrophobicContact CB-CG 4.39Å; Q1066-P1182 WeakPolarHBondContact O-CD 3.07Å |
| 1067 | G | 94.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 16.2 Ų | 16.2 | 28% | 0.278 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 4.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | W1064 E1065 N1069 P1181 | W1064-G1067 PolarHBondContact O-N 2.97Å; E1065-G1067 PolarHBondContact O-N 2.98Å; E1065-G1067 VanDerWaalsContact O-N 3.09Å; G1067-N1069 PolarHBondContact O-N 3.23Å; G1067-P1181 WeakPolarHBondContact O-CB 3.48Å |
| 1068 | V | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -57.2 | 133.5 | -168.7 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | I1046 I1063 Q1066 V1070 I1071 R1133 P1182 V1184 | I1046-V1068 HydrophobicContact CD1-CG2 4.32Å; I1063-V1068 HydrophobicContact CD1-CB 4.31Å; I1063-V1068 HydrophobicContact CD1-CG1 4.06Å; I1063-V1068 HydrophobicContact CG2-CB 4.06Å; I1063-V1068 HydrophobicContact CG2-CG1 4.35Å; I1063-V1068 PolarHBondContact O-N 2.92Å; Q1066-V1068 HydrophobicContact CB-CG2 3.98Å; Q1066-V1068 PolarHBondContact O-N 2.82Å; V1068-V1070 VanDerWaalsContact CG1-O 3.25Å; V1068-V1070 WeakPolarHBondContact CG1-O 3.26Å; V1068-I1071 HydrophobicContact CG1-CG1 4.38Å; V1068-R1133 WeakPolarHBondContact O-CD 3.38Å; V1068-R1133 PolarHBondContact O-NH1 3.39Å; V1068-P1182 HydrophobicContact CG2-CG 4.15Å; V1068-V1184 HydrophobicContact CB-CG2 4.34Å; V1068-V1184 HydrophobicContact CG1-CB 4.31Å; V1068-V1184 HydrophobicContact CG1-CG2 3.78Å; V1068-V1184 HydrophobicContact CG2-CG2 3.68Å | ||
| 1069 | N | 96.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 21.2 Ų | 21.2 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | trans | -113.3 | -15.9 | 173.8 | -66.6 | -50.7 | 0 | 0 | 0 | 113.4 | G1067 R1133 V1135 W1136 T1169 | G1067-N1069 PolarHBondContact O-N 3.23Å; N1069-R1133 WeakPolarHBondContact OD1-CD 3.06Å; N1069-V1135 WeakPolarHBondContact O-CA 3.48Å; N1069-W1136 PolarHBondContact O-N 3.05Å; N1069-T1169 HydrophobicContact CB-CG2 3.81Å | ||
| 1070 | V | 98.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.1 | -172.1 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | V1068 W1136 L1138 V1165 T1169 V1183 V1184 | V1068-V1070 VanDerWaalsContact CG1-O 3.25Å; V1068-V1070 WeakPolarHBondContact CG1-O 3.26Å; V1070-W1136 CarbonylContact C-O 3.59Å; V1070-W1136 WeakPolarHBondContact CA-O 3.32Å; V1070-L1138 HydrophobicContact CG1-CD1 3.99Å; V1070-V1165 HydrophobicContact CG1-CG1 4.25Å; V1070-V1165 HydrophobicContact CG2-CG1 3.86Å; V1070-T1169 HydrophobicContact CG2-CG2 4.21Å; V1070-V1183 HydrophobicContact CB-CG1 4.19Å; V1070-V1183 HydrophobicContact CB-CG2 4.2Å; V1070-V1183 HydrophobicContact CG1-CG1 4.09Å; V1070-V1184 PolarHBondContact O-N 3.45Å; V1070-V1184 VanDerWaalsContact O-N 3.08Å |
| 1071 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.7 | 175.6 | -54.6 | 171.2 | 0 | 0 | 0 | 108.6 | F1059 W1060 I1063 V1068 Y1088 V1135 W1136 H1137 L1138 V1184 | F1059-I1071 HydrophobicContact CE1-CD1 4.07Å; F1059-I1071 HydrophobicContact CZ-CD1 4.18Å; F1059-I1071 HydrophobicContact CZ-CG2 4.3Å; W1060-I1071 HydrophobicContact CH2-CD1 4.06Å; W1060-I1071 HydrophobicContact CZ3-CD1 4.24Å; I1063-I1071 HydrophobicContact CD1-CD1 3.7Å; I1063-I1071 HydrophobicContact CD1-CG1 3.89Å; I1063-I1071 HydrophobicContact CG1-CD1 3.98Å; V1068-I1071 HydrophobicContact CG1-CG1 4.38Å; I1071-Y1088 HydrophobicContact CD1-CE2 4.46Å; I1071-Y1088 WeakPolarHBondContact CG2-OH 3.42Å; I1071-V1135 HydrophobicContact CD1-CG1 3.68Å; I1071-V1135 HydrophobicContact CG1-CG1 3.87Å; I1071-W1136 PolarHBondContact N-O 3.21Å; I1071-H1137 WeakPolarHBondContact O-CA 3.37Å; I1071-L1138 PolarHBondContact O-N 3.31Å; I1071-V1184 CarbonylContact C-O 3.58Å; I1071-V1184 WeakPolarHBondContact CA-O 3.35Å; I1071-V1184 HydrophobicContact CG1-CB 4.37Å; I1071-V1184 HydrophobicContact CG2-CB 4.49Å; I1071-V1184 HydrophobicContact CG2-CG1 4.22Å |
| 1072 | A | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1138 Y1158 I1162 V1184 V1185 H1186 | A1072-L1138 WeakPolarHBondContact CA-O 3.4Å; A1072-Y1158 WeakPolarHBondContact CA-OH 3.24Å; A1072-Y1158 WeakPolarHBondContact CB-OH 3.34Å; A1072-I1162 HydrophobicContact CB-CD1 3.74Å; A1072-I1162 HydrophobicContact CB-CG1 4.24Å; A1072-V1184 PolarHBondContact N-O 2.67Å; A1072-V1185 HydrophobicContact CB-CB 4.47Å; A1072-V1185 HydrophobicContact CB-CG1 4.2Å; A1072-V1185 HydrophobicContact CB-CG2 4.22Å; A1072-V1185 WeakPolarHBondContact O-CA 3.37Å; A1072-H1186 PolarHBondContact O-N 2.98Å |
| 1073 | M | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.5 | 177.1 | 175.9 | 169.6 | -173.8 | 0 | 0 | 110 | T1075 Y1088 W1089 L1138 Q1139 Y1140 Y1158 H1186 | M1073-T1075 HydrophobicContact CE-CG2 3.76Å; M1073-T1075 WeakPolarHBondContact CE-O 3.37Å; M1073-T1075 HydrophobicContact CG-CG2 4.12Å; M1073-Y1088 HydrophobicContact SD-CE1 4.42Å; M1073-W1089 HydrophobicContact CE-CH2 3.75Å; M1073-W1089 HydrophobicContact CE-CZ3 4.13Å; M1073-W1089 HydrophobicContact SD-CH2 3.4Å; M1073-W1089 WeakPolarHBondContact SD-CH2 3.08Å; M1073-W1089 HydrophobicContact SD-CZ2 4.09Å; M1073-W1089 HydrophobicContact SD-CZ3 3.79Å; M1073-L1138 PolarHBondContact N-O 3.37Å; M1073-Q1139 HydrophobicContact CB-CB 4.29Å; M1073-Q1139 HydrophobicContact CB-CG 4.25Å; M1073-Q1139 HydrophobicContact CG-CG 4Å; M1073-Q1139 CarbonylContact O-C 3.58Å; M1073-Q1139 VanDerWaalsContact O-CA 3.3Å; M1073-Q1139 WeakPolarHBondContact O-CA 3.5Å; M1073-Q1139 HydrophobicContact SD-CG 4.12Å; M1073-Y1140 PolarHBondContact O-N 2.95Å; M1073-Y1158 PolarHBondContact N-OH 3.45Å; M1073-Y1158 PolarHBondContact O-OH 2.97Å; M1073-H1186 WeakPolarHBondContact CB-NE2 3.39Å; M1073-H1186 VanDerWaalsContact CG-CE1 3.44Å; M1073-H1186 WeakPolarHBondContact CG-CE1 3.28Å; M1073-H1186 WeakPolarHBondContact CG-NE2 3.47Å |
| 1074 | V | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -108.8 | 46.2 | -171.3 | -154.7 | 0 | 0 | 0 | 0 | 111.3 | Y1140 W1143 V1185 H1186 C1187 R1193 V1197 | V1074-Y1140 HydrophobicContact CG1-CD1 4.48Å; V1074-W1143 HydrophobicContact CG1-CE3 3.7Å; V1074-W1143 HydrophobicContact CG1-CZ3 3.82Å; V1074-V1185 HydrophobicContact CG2-CG1 4.11Å; V1074-H1186 PolarHBondContact N-O 3.13Å; V1074-C1187 HydrophobicContact CB-CB 4.31Å; V1074-R1193 HydrophobicContact CB-CB 4.07Å; V1074-R1193 HydrophobicContact CG1-CB 3.82Å; V1074-R1193 WeakPolarHBondContact O-CD 3.16Å; V1074-V1197 HydrophobicContact CB-CG2 4.48Å; V1074-V1197 HydrophobicContact CG1-CG2 3.93Å; V1074-V1197 HydrophobicContact CG2-CB 4.43Å; V1074-V1197 HydrophobicContact CG2-CG2 3.67Å | ||
| 1075 | T | 94 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -170 | 159 | -173.1 | -165 | 0 | 0 | 0 | 0 | 110.7 | M1073 E1079 K1084 Q1139 R1193 | M1073-T1075 HydrophobicContact CE-CG2 3.76Å; M1073-T1075 WeakPolarHBondContact CE-O 3.37Å; M1073-T1075 HydrophobicContact CG-CG2 4.12Å; T1075-E1079 WeakPolarHBondContact CA-OE1 3.48Å; T1075-E1079 PolarHBondContact OG1-OE1 2.98Å; T1075-K1084 HydrophobicContact CG2-CB 4.38Å; T1075-K1084 VanDerWaalsContact OG1-CB 3.25Å; T1075-K1084 WeakPolarHBondContact OG1-CB 3.45Å; T1075-Q1139 PolarHBondContact O-NE2 3.29Å; T1075-R1193 PolarHBondContact OG1-NH1 2.71Å |
| 1076 | A | 92.6 | Very high | 93.8 | Very high | 36 Ų | 36 | 39 Ų | 39 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | trans | -77.5 | 176.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1078 E1079 | A1076-E1078 VanDerWaalsContact C-N 3.33Å; A1076-E1078 WeakPolarHBondContact CB-O 3.3Å; A1076-E1079 HydrophobicContact CB-CG 3.78Å; A1076-E1079 PolarHBondContact N-OE1 2.85Å | ||
| 1077 | E | 91.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -65 | -42.2 | 169.5 | -73.4 | 156.8 | -122.4 | 0 | 0 | 110.5 | K1084 S1085 R1087 W1089 K1091 | E1077-K1084 PolarHBondContact O-N 3.19Å; E1077-S1085 WeakPolarHBondContact CA-O 3.37Å; E1077-S1085 PolarHBondContact O-N 3.44Å; E1077-S1085 VanDerWaalsContact O-O 3.05Å; E1077-R1087 WeakPolarHBondContact OE1-CD 3.45Å; E1077-R1087 IonicContact OE1-CZ 2.62Å; E1077-R1087 IonicContact OE1-NE 3.21Å; E1077-R1087 IonicContact OE1-NH1 2.8Å; E1077-R1087 PolarHBondContact OE1-NH1 3.28Å; E1077-R1087 WeakPolarHBondContact OE2-CD 3.49Å; E1077-W1089 HydrophobicContact CG-CH2 4.17Å; E1077-K1091 IonicContact OE1-NZ 3.14Å; E1077-K1091 IonicContact OE2-NZ 2.67Å; E1077-K1091 PolarHBondContact OE2-NZ 3.01Å |
| 1078 | E | 91.5 | Very high | 93.9 | Very high | 131 Ų | 131 | 37.5 Ų | 37.5 | 61% | 0.612 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141.3 | -177.9 | -49.1 | -170.5 | 143.5 | 0 | 0 | 108.9 | A1076 R1082 | A1076-E1078 VanDerWaalsContact C-N 3.33Å; A1076-E1078 WeakPolarHBondContact CB-O 3.3Å; E1078-R1082 WeakPolarHBondContact CA-O 3.16Å |
| 1079 | E | 88.1 | Confident | 93.9 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134 | 176.1 | -47 | 159.6 | -172.8 | 0 | 0 | 107.2 | T1075 A1076 G1081 R1082 K1084 E1145 R1193 | T1075-E1079 WeakPolarHBondContact CA-OE1 3.48Å; T1075-E1079 PolarHBondContact OG1-OE1 2.98Å; A1076-E1079 HydrophobicContact CB-CG 3.78Å; A1076-E1079 PolarHBondContact N-OE1 2.85Å; E1079-G1081 PolarHBondContact O-N 3.1Å; E1079-R1082 PolarHBondContact N-O 3.24Å; E1079-R1082 WeakPolarHBondContact O-CB 3.19Å; E1079-R1082 PolarHBondContact O-N 3.36Å; E1079-K1084 HydrophobicContact CB-CG 4.19Å; E1079-K1084 HydrophobicContact CG-CG 3.8Å; E1079-K1084 VanDerWaalsContact OE2-CE 3.22Å; E1079-K1084 WeakPolarHBondContact OE2-CE 3.25Å; E1079-K1084 IonicContact OE2-NZ 3.79Å; E1079-E1145 HydrophobicContact CB-CG 4.29Å; E1079-R1193 VanDerWaalsContact CD-NH1 3.25Å; E1079-R1193 IonicContact OE1-CZ 3.28Å; E1079-R1193 IonicContact OE1-NH1 3.06Å; E1079-R1193 PolarHBondContact OE1-NH1 3.44Å; E1079-R1193 IonicContact OE1-NH2 2.66Å; E1079-R1193 IonicContact OE2-CZ 3.96Å; E1079-R1193 VanDerWaalsContact OE2-CZ 3.31Å; E1079-R1193 IonicContact OE2-NH1 3.01Å; E1079-R1193 PolarHBondContact OE2-NH1 3.27Å; E1079-R1193 IonicContact OE2-NH2 2.7Å; E1079-R1193 PolarHBondContact OE2-NH2 3.45Å |
| 1080 | G | 82.4 | Confident | 93.8 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 43% | 0.433 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 31.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1082 E1145 | G1080-R1082 PolarHBondContact O-N 3.03Å; G1080-E1145 WeakPolarHBondContact CA-OE1 3.39Å; G1080-E1145 WeakPolarHBondContact CA-OE2 3.5Å; G1080-E1145 PolarHBondContact N-OE1 3.2Å; G1080-E1145 PolarHBondContact N-OE2 2.85Å |
| 1081 | G | 83.4 | Confident | 93.2 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 78% | 0.784 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 8.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E1079 | E1079-G1081 PolarHBondContact O-N 3.1Š|
| 1082 | R | 87.3 | Confident | 92.5 | Very high | 187 Ų | 187 | 46 Ų | 46 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.3 | -177.8 | -59.7 | 179.1 | -172.9 | -170.1 | 0.4 | 110.6 | E1078 E1079 G1080 K1084 | E1078-R1082 WeakPolarHBondContact CA-O 3.16Å; E1079-R1082 PolarHBondContact N-O 3.24Å; E1079-R1082 WeakPolarHBondContact O-CB 3.19Å; E1079-R1082 PolarHBondContact O-N 3.36Å; G1080-R1082 PolarHBondContact O-N 3.03Å; R1082-K1084 PolarHBondContact O-N 3.44Å |
| 1083 | S | 93.2 | Very high | 91 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 121.9 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | R1004 | R1004-S1083 PolarHBondContact NH1-O 3.1Å |
| 1084 | K | 95.8 | Very high | 90 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -99.3 | -38.9 | 175.2 | -56.8 | -63.3 | -177.2 | 159.7 | 0 | 111.8 | R1004 T1075 E1077 E1079 R1082 S1188 | R1004-K1084 PolarHBondContact NE-O 3.02Å; R1004-K1084 PolarHBondContact NH1-O 3.44Å; R1004-K1084 PolarHBondContact NH2-O 3.05Å; T1075-K1084 HydrophobicContact CG2-CB 4.38Å; T1075-K1084 VanDerWaalsContact OG1-CB 3.25Å; T1075-K1084 WeakPolarHBondContact OG1-CB 3.45Å; E1077-K1084 PolarHBondContact O-N 3.19Å; E1079-K1084 HydrophobicContact CB-CG 4.19Å; E1079-K1084 HydrophobicContact CG-CG 3.8Å; E1079-K1084 VanDerWaalsContact OE2-CE 3.22Å; E1079-K1084 WeakPolarHBondContact OE2-CE 3.25Å; E1079-K1084 IonicContact OE2-NZ 3.79Å; R1082-K1084 PolarHBondContact O-N 3.44Å; K1084-S1188 WeakPolarHBondContact CA-OG 3.39Å; K1084-S1188 WeakPolarHBondContact O-CA 3.28Å; K1084-S1188 WeakPolarHBondContact O-CB 3.37Å; K1084-S1188 PolarHBondContact O-OG 3.11Å |
| 1085 | S | 97.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -149.5 | 139.7 | 178.5 | -177 | 0 | 0 | 0 | 0 | 110.3 | E1077 | E1077-S1085 WeakPolarHBondContact CA-O 3.37Å; E1077-S1085 PolarHBondContact O-N 3.44Å; E1077-S1085 VanDerWaalsContact O-O 3.05Å |
| 1086 | H | 97.1 | Very high | 88 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 37% | 0.366 | 38% | 0.381 | S | S | . | . | trans | -72.1 | 158.4 | 169.9 | -167.4 | 73.7 | 0 | 0 | 0 | 111.4 | P1051 Y1088 | P1051-H1086 WeakPolarHBondContact O-CB 3.46Å; P1051-H1086 PolarHBondContact O-N 3.41Å; H1086-Y1088 VanDerWaalsContact C-N 3.32Å; H1086-Y1088 WeakPolarHBondContact O-CD1 3.41Å; H1086-Y1088 PolarHBondContact O-N 2.83Å | ||
| 1087 | R | 95.2 | Very high | 87.8 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | trans | -78.4 | 75.1 | 178.3 | -170.7 | 76.2 | -161.5 | -162.8 | 4.2 | 111.8 | E1077 W1089 Y1101 | E1077-R1087 WeakPolarHBondContact OE1-CD 3.45Å; E1077-R1087 IonicContact OE1-CZ 2.62Å; E1077-R1087 IonicContact OE1-NE 3.21Å; E1077-R1087 IonicContact OE1-NH1 2.8Å; E1077-R1087 PolarHBondContact OE1-NH1 3.28Å; E1077-R1087 WeakPolarHBondContact OE2-CD 3.49Å; R1087-W1089 WeakPolarHBondContact CG-O 3.14Å; R1087-W1089 PolarHBondContact NE-O 2.68Å; R1087-W1089 PolarHBondContact O-N 2.86Å; R1087-Y1101 PolarHBondContact O-OH 2.62Å | ||
| 1088 | Y | 97.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | trans | -75.2 | 5.5 | 179.5 | 68.4 | -95 | 0 | 0 | 0 | 114.8 | P1051 F1059 W1060 I1071 M1073 H1086 Y1101 H1137 H1186 | P1051-Y1088 HydrophobicContact CB-CD1 4.14Å; P1051-Y1088 HydrophobicContact CG-CD1 3.64Å; P1051-Y1088 HydrophobicContact CG-CE1 4.01Å; P1051-Y1088 HydrophobicContact CG-CG 4.16Å; F1059-Y1088 AromaticContact CD1-CD2 3.88Å; F1059-Y1088 HydrophobicContact CD1-CD2 3.88Å; F1059-Y1088 HydrophobicContact CD1-CE2 4.12Å; F1059-Y1088 HydrophobicContact CD1-CG 4.32Å; F1059-Y1088 AromaticContact CE1-CD2 3.54Å; F1059-Y1088 HydrophobicContact CE1-CD2 3.54Å; F1059-Y1088 AromaticContact CE1-CE2 3.3Å; F1059-Y1088 HydrophobicContact CE1-CE2 3.3Å; F1059-Y1088 HydrophobicContact CE1-CG 4.26Å; F1059-Y1088 AromaticContact CE1-CZ 3.83Å; F1059-Y1088 HydrophobicContact CZ-CD2 4.37Å; F1059-Y1088 HydrophobicContact CZ-CE1 4.5Å; F1059-Y1088 AromaticContact CZ-CE2 3.81Å; F1059-Y1088 HydrophobicContact CZ-CE2 3.81Å; F1059-Y1088 AromaticContact CZ-CZ 3.86Å; W1060-Y1088 AromaticContact CE2-CD2 3.88Å; W1060-Y1088 AromaticContact CZ2-CD2 3.63Å; W1060-Y1088 HydrophobicContact CZ2-CD2 3.63Å; W1060-Y1088 HydrophobicContact CZ2-CE2 4Å; W1060-Y1088 AromaticContact NE1-CD2 3.83Å; W1060-Y1088 PolarHBondContact NE1-O 2.85Å; I1071-Y1088 HydrophobicContact CD1-CE2 4.46Å; I1071-Y1088 WeakPolarHBondContact CG2-OH 3.42Å; M1073-Y1088 HydrophobicContact SD-CE1 4.42Å; H1086-Y1088 VanDerWaalsContact C-N 3.32Å; H1086-Y1088 WeakPolarHBondContact O-CD1 3.41Å; H1086-Y1088 PolarHBondContact O-N 2.83Å; Y1088-Y1101 WeakPolarHBondContact O-CE2 3.33Å; Y1088-Y1101 PolarHBondContact O-OH 2.92Å; Y1088-H1137 AromaticContact CE2-CD2 3.85Å; Y1088-H1137 AromaticContact CZ-CD2 3.78Å; Y1088-H1137 AromaticContact CZ-NE2 3.61Å; Y1088-H1137 PolarHBondContact OH-CD2 2.98Å; Y1088-H1137 VanDerWaalsContact OH-CD2 3.24Å; Y1088-H1137 PolarHBondContact OH-NE2 2.84Å; Y1088-H1137 VanDerWaalsContact OH-NE2 3.14Å; Y1088-H1186 AromaticContact CE1-CE1 3.8Å; Y1088-H1186 AromaticContact CE1-NE2 3.41Å; Y1088-H1186 WeakPolarHBondContact CE1-NE2 3.34Å; Y1088-H1186 AromaticContact CZ-NE2 3.5Å; Y1088-H1186 PolarHBondContact OH-CD2 2.94Å; Y1088-H1186 PolarHBondContact OH-NE2 3.32Å | ||
| 1089 | W | 96.6 | Very high | 88 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -140.7 | 139.6 | 176.5 | 72.3 | 116.7 | 0 | 0 | 0 | 112.5 | W1060 M1073 E1077 R1087 Y1101 L1122 H1137 | W1060-W1089 HydrophobicContact CZ2-CB 4.45Å; M1073-W1089 HydrophobicContact CE-CH2 3.75Å; M1073-W1089 HydrophobicContact CE-CZ3 4.13Å; M1073-W1089 HydrophobicContact SD-CH2 3.4Å; M1073-W1089 WeakPolarHBondContact SD-CH2 3.08Å; M1073-W1089 HydrophobicContact SD-CZ2 4.09Å; M1073-W1089 HydrophobicContact SD-CZ3 3.79Å; E1077-W1089 HydrophobicContact CG-CH2 4.17Å; R1087-W1089 WeakPolarHBondContact CG-O 3.14Å; R1087-W1089 PolarHBondContact NE-O 2.68Å; R1087-W1089 PolarHBondContact O-N 2.86Å; W1089-Y1101 PolarHBondContact N-OH 3.31Å; W1089-L1122 HydrophobicContact CB-CD1 3.91Å; W1089-L1122 HydrophobicContact CB-CD2 4.24Å; W1089-L1122 HydrophobicContact CG-CD1 4.4Å; W1089-H1137 AromaticContact CD2-CE1 3.96Å; W1089-H1137 AromaticContact CD2-NE2 3.63Å; W1089-H1137 AromaticContact CE2-CE1 3.37Å; W1089-H1137 AromaticContact CE2-NE2 3.54Å; W1089-H1137 AromaticContact CE3-NE2 3.8Å; W1089-H1137 AromaticContact CZ2-CE1 3.45Å; W1089-H1137 VanDerWaalsContact CZ2-CE1 3.45Å; W1089-H1137 WeakPolarHBondContact CZ2-CE1 3.29Å; W1089-H1137 AromaticContact CZ2-NE2 3.77Å; W1089-H1137 AromaticContact NE1-CE1 3.57Å; W1089-H1137 AromaticContact NE1-ND1 3.8Å; W1089-H1137 AromaticContact NE1-NE2 3.96Å |
| 1090 | P | 94.1 | Very high | 88.4 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.071 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -70 | 144.2 | -172.5 | 24.7 | -30.5 | 0 | 0 | 0 | 113.3 | N1097 A1099 T1108 | P1090-N1097 WeakPolarHBondContact CG-O 3.17Å; P1090-A1099 HydrophobicContact CB-CB 4.16Å; P1090-A1099 HydrophobicContact CG-CB 4.3Å; P1090-T1108 WeakPolarHBondContact CG-OG1 3.34Å; P1090-T1108 PolarHBondContact O-OG1 2.78Å |
| 1091 | K | 86.8 | Confident | 89.1 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 47% | 0.474 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 132.1 | 176.3 | -69.4 | -178.3 | -179.3 | -178.3 | 0 | 110.3 | E1077 S1094 | E1077-K1091 IonicContact OE1-NZ 3.14Å; E1077-K1091 IonicContact OE2-NZ 2.67Å; E1077-K1091 PolarHBondContact OE2-NZ 3.01Å; K1091-S1094 WeakPolarHBondContact O-CB 3.44Å; K1091-S1094 PolarHBondContact O-N 2.74Å; K1091-S1094 PolarHBondContact O-OG 2.81Å |
| 1092 | L | 83.3 | Confident | 89.6 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 149.6 | 173.1 | -174 | 64.5 | 0 | 0 | 0 | 109.7 | S1094 T1108 R1111 | L1092-S1094 PolarHBondContact O-N 2.77Å; L1092-S1094 VanDerWaalsContact O-N 3.09Å; L1092-T1108 HydrophobicContact CB-CG2 4.04Å; L1092-T1108 HydrophobicContact CD1-CG2 4.19Å; L1092-R1111 HydrophobicContact CD2-CB 3.99Å |
| 1093 | G | 68.2 | Low | 90 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 78% | 0.784 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -12.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1094 | S | 76.8 | Confident | 90.2 | Very high | 53 Ų | 53 | 59 Ų | 59 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -64.8 | 155.2 | 173.7 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | K1091 L1092 H1096 | K1091-S1094 WeakPolarHBondContact O-CB 3.44Å; K1091-S1094 PolarHBondContact O-N 2.74Å; K1091-S1094 PolarHBondContact O-OG 2.81Å; L1092-S1094 PolarHBondContact O-N 2.77Å; L1092-S1094 VanDerWaalsContact O-N 3.09Å; S1094-H1096 PolarHBondContact O-N 2.93Å; S1094-H1096 PolarHBondContact OG-O 3.46Å |
| 1095 | K | 71.1 | Confident | 90.3 | Very high | 209 Ų | 209 | 60.3 Ų | 60.3 | 91% | 0.909 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.2 | 177.5 | -70.6 | -177.7 | 178.9 | 176.4 | 0 | 113.2 | ||
| 1096 | H | 77.4 | Confident | 90.4 | Very high | 147 Ų | 147 | 60.2 Ų | 60.2 | 68% | 0.681 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 87.1 | 175 | -55.8 | -42.2 | 0 | 0 | 0 | 110 | S1094 S1098 | S1094-H1096 PolarHBondContact O-N 2.93Å; S1094-H1096 PolarHBondContact OG-O 3.46Å; H1096-S1098 PolarHBondContact O-N 3.14Å |
| 1097 | N | 88.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 57.5 Ų | 57.5 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -64.8 | 11.4 | 173.5 | 72.8 | -14.7 | 0 | 0 | 0 | 114.6 | P1090 T1107 T1108 | P1090-N1097 WeakPolarHBondContact CG-O 3.17Å; N1097-T1107 CarbonylContact O-C 3.45Å; N1097-T1107 WeakPolarHBondContact O-CA 3.36Å; N1097-T1108 PolarHBondContact O-N 2.73Å |
| 1098 | S | 93.1 | Very high | 90.4 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.4 | 175.7 | 73.5 | 0 | 0 | 0 | 0 | 111.1 | H1096 K1105 V1106 T1107 | H1096-S1098 PolarHBondContact O-N 3.14Å; S1098-K1105 WeakPolarHBondContact OG-CE 3.4Å; S1098-K1105 PolarHBondContact OG-NZ 3.45Å; S1098-K1105 VanDerWaalsContact OG-NZ 3.07Å; S1098-V1106 CarbonylContact C-O 3.43Å; S1098-V1106 WeakPolarHBondContact CA-O 3.42Å; S1098-T1107 VanDerWaalsContact CB-OG1 3.31Å; S1098-T1107 WeakPolarHBondContact CB-OG1 3.38Å |
| 1099 | A | 95.6 | Very high | 90.3 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 162.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | P1090 Y1101 K1105 V1106 | P1090-A1099 HydrophobicContact CB-CB 4.16Å; P1090-A1099 HydrophobicContact CG-CB 4.3Å; A1099-Y1101 HydrophobicContact CB-CD2 4.47Å; A1099-Y1101 HydrophobicContact CB-CE2 3.6Å; A1099-K1105 CarbonylContact O-C 3.5Å; A1099-K1105 WeakPolarHBondContact O-CA 3.09Å; A1099-V1106 PolarHBondContact N-O 3.24Å; A1099-V1106 PolarHBondContact O-N 3Å; A1099-V1106 VanDerWaalsContact O-O 3.12Å |
| 1100 | T | 96.8 | Very high | 90 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | G1102 F1104 L1127 | T1100-G1102 WeakPolarHBondContact CG2-O 3.38Å; T1100-F1104 CarbonylContact C-O 3.57Å; T1100-F1104 WeakPolarHBondContact CA-O 2.99Å; T1100-L1127 HydrophobicContact CG2-CD1 3.72Å |
| 1101 | Y | 96.1 | Very high | 90 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 14% | 0.137 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 106.9 | 178.9 | -54.2 | -85.5 | 0 | 0 | 0 | 107.3 | C1056 W1060 R1087 Y1088 W1089 A1099 K1103 F1104 V1106 | C1056-Y1101 HydrophobicContact CB-CD1 3.78Å; C1056-Y1101 HydrophobicContact CB-CE1 4.41Å; W1060-Y1101 AromaticContact CD1-CD2 3.64Å; W1060-Y1101 AromaticContact CD1-CG 3.69Å; W1060-Y1101 AromaticContact NE1-CD2 3.57Å; W1060-Y1101 AromaticContact NE1-CE2 3.97Å; W1060-Y1101 AromaticContact NE1-CG 3.99Å; R1087-Y1101 PolarHBondContact O-OH 2.62Å; Y1088-Y1101 WeakPolarHBondContact O-CE2 3.33Å; Y1088-Y1101 PolarHBondContact O-OH 2.92Å; W1089-Y1101 PolarHBondContact N-OH 3.31Å; A1099-Y1101 HydrophobicContact CB-CD2 4.47Å; A1099-Y1101 HydrophobicContact CB-CE2 3.6Å; Y1101-K1103 PolarHBondContact O-N 2.99Å; Y1101-F1104 PolarHBondContact N-O 2.88Å; Y1101-F1104 PolarHBondContact O-N 2.91Å; Y1101-V1106 HydrophobicContact CD2-CB 4.29Å; Y1101-V1106 HydrophobicContact CD2-CG2 3.8Å; Y1101-V1106 HydrophobicContact CE2-CB 4.17Å; Y1101-V1106 HydrophobicContact CE2-CG2 4.12Å |
| 1102 | G | 93.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | -121.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1100 F1104 | T1100-G1102 WeakPolarHBondContact CG2-O 3.38Å; G1102-F1104 VanDerWaalsContact C-N 3.27Å; G1102-F1104 PolarHBondContact O-N 3.38Å |
| 1103 | K | 95.9 | Very high | 90.7 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 1.6 | -179.3 | -59.2 | 162.9 | -171.5 | 157.6 | 0 | 114 | Y1101 L1127 L1128 | Y1101-K1103 PolarHBondContact O-N 2.99Å; K1103-L1127 VanDerWaalsContact O-CB 3.3Å; K1103-L1127 WeakPolarHBondContact O-CB 3.49Å; K1103-L1127 WeakPolarHBondContact O-CG 3.47Å; K1103-L1127 PolarHBondContact O-N 3.19Å; K1103-L1128 HydrophobicContact CD-CD1 3.98Å; K1103-L1128 HydrophobicContact CG-CD1 4.23Å |
| 1104 | F | 97.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 2% | 0.022 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.2 | -168.8 | -56.1 | -77.9 | 0 | 0 | 0 | 112.4 | W1060 Q1061 W1064 T1100 Y1101 G1102 V1124 K1125 H1126 | W1060-F1104 HydrophobicContact CB-CB 3.92Å; W1060-F1104 HydrophobicContact CB-CD2 3.8Å; W1060-F1104 HydrophobicContact CB-CG 3.98Å; Q1061-F1104 VanDerWaalsContact CA-CE2 3.41Å; Q1061-F1104 HydrophobicContact CB-CE2 3.76Å; Q1061-F1104 HydrophobicContact CB-CZ 4.31Å; Q1061-F1104 HydrophobicContact CG-CE2 4.29Å; Q1061-F1104 HydrophobicContact CG-CZ 4.45Å; W1064-F1104 HydrophobicContact CB-CD1 4.15Å; W1064-F1104 HydrophobicContact CB-CE1 3.43Å; W1064-F1104 VanDerWaalsContact CB-CE1 3.43Å; W1064-F1104 HydrophobicContact CB-CZ 3.81Å; W1064-F1104 AromaticContact CD1-CE1 3.92Å; W1064-F1104 HydrophobicContact CD2-CD1 4.29Å; W1064-F1104 AromaticContact CD2-CE1 3.81Å; W1064-F1104 HydrophobicContact CD2-CE1 3.81Å; W1064-F1104 HydrophobicContact CE3-CD1 4.29Å; W1064-F1104 HydrophobicContact CE3-CE1 4.27Å; W1064-F1104 HydrophobicContact CG-CD1 4.22Å; W1064-F1104 AromaticContact CG-CE1 3.4Å; W1064-F1104 HydrophobicContact CG-CE1 3.4Å; W1064-F1104 VanDerWaalsContact CG-CE1 3.4Å; W1064-F1104 HydrophobicContact CG-CZ 4.07Å; T1100-F1104 CarbonylContact C-O 3.57Å; T1100-F1104 WeakPolarHBondContact CA-O 2.99Å; Y1101-F1104 PolarHBondContact N-O 2.88Å; Y1101-F1104 PolarHBondContact O-N 2.91Å; G1102-F1104 VanDerWaalsContact C-N 3.27Å; G1102-F1104 PolarHBondContact O-N 3.38Å; F1104-V1124 HydrophobicContact CB-CG1 4.27Å; F1104-V1124 HydrophobicContact CD1-CG1 4.29Å; F1104-K1125 WeakPolarHBondContact CA-O 3.39Å; F1104-H1126 HydrophobicContact CD1-CB 4.1Å; F1104-H1126 AromaticContact CD1-CD2 3.96Å; F1104-H1126 HydrophobicContact CE1-CB 3.92Å; F1104-H1126 AromaticContact CE1-CD2 3.38Å; F1104-H1126 WeakPolarHBondContact CE1-CD2 3.27Å; F1104-H1126 AromaticContact CE1-CG 3.84Å; F1104-H1126 AromaticContact CZ-CD2 3.87Å |
| 1105 | K | 97.7 | Very high | 92.1 | Very high | 76 Ų | 76 | 74 Ų | 74 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.3 | 171.1 | 178 | 163.5 | -177.4 | 161.3 | 0 | 110.2 | S1098 A1099 K1125 L1127 | S1098-K1105 WeakPolarHBondContact OG-CE 3.4Å; S1098-K1105 PolarHBondContact OG-NZ 3.45Å; S1098-K1105 VanDerWaalsContact OG-NZ 3.07Å; A1099-K1105 CarbonylContact O-C 3.5Å; A1099-K1105 WeakPolarHBondContact O-CA 3.09Å; K1105-K1125 PolarHBondContact N-O 3.31Å; K1105-K1125 PolarHBondContact O-N 3.15Å; K1105-L1127 HydrophobicContact CB-CD1 4.48Å; K1105-L1127 HydrophobicContact CB-CD2 3.82Å; K1105-L1127 HydrophobicContact CB-CG 4.26Å |
| 1106 | V | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.4 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | W1060 S1098 A1099 Y1101 L1122 K1123 | W1060-V1106 HydrophobicContact CD2-CG2 3.68Å; W1060-V1106 VanDerWaalsContact CE2-CG2 3.48Å; W1060-V1106 HydrophobicContact CE3-CG2 4.13Å; W1060-V1106 HydrophobicContact CG-CG2 4.12Å; W1060-V1106 HydrophobicContact CH2-CG1 4.14Å; W1060-V1106 HydrophobicContact CH2-CG2 4.25Å; W1060-V1106 HydrophobicContact CZ2-CB 4.46Å; W1060-V1106 HydrophobicContact CZ2-CG1 3.88Å; W1060-V1106 HydrophobicContact CZ2-CG2 3.77Å; W1060-V1106 HydrophobicContact CZ3-CG2 4.4Å; S1098-V1106 CarbonylContact C-O 3.43Å; S1098-V1106 WeakPolarHBondContact CA-O 3.42Å; A1099-V1106 PolarHBondContact N-O 3.24Å; A1099-V1106 PolarHBondContact O-N 3Å; A1099-V1106 VanDerWaalsContact O-O 3.12Å; Y1101-V1106 HydrophobicContact CD2-CB 4.29Å; Y1101-V1106 HydrophobicContact CD2-CG2 3.8Å; Y1101-V1106 HydrophobicContact CE2-CB 4.17Å; Y1101-V1106 HydrophobicContact CE2-CG2 4.12Å; V1106-L1122 HydrophobicContact CG1-CB 4.29Å; V1106-L1122 HydrophobicContact CG1-CD1 4.29Å; V1106-L1122 HydrophobicContact CG1-CD2 4.33Å; V1106-K1123 CarbonylContact C-O 3.53Å |
| 1107 | T | 96.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 116.6 | -179.8 | -53 | 0 | 0 | 0 | 0 | 110.6 | N1097 S1098 K1109 K1123 | N1097-T1107 CarbonylContact O-C 3.45Å; N1097-T1107 WeakPolarHBondContact O-CA 3.36Å; S1098-T1107 VanDerWaalsContact CB-OG1 3.31Å; S1098-T1107 WeakPolarHBondContact CB-OG1 3.38Å; T1107-K1109 HydrophobicContact CG2-CD 4.31Å; T1107-K1109 PolarHBondContact O-N 2.8Å; T1107-K1123 PolarHBondContact N-O 2.82Å; T1107-K1123 PolarHBondContact O-N 2.91Å |
| 1108 | T | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.7 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 109.7 | P1090 L1092 N1097 T1120 L1122 | P1090-T1108 WeakPolarHBondContact CG-OG1 3.34Å; P1090-T1108 PolarHBondContact O-OG1 2.78Å; L1092-T1108 HydrophobicContact CB-CG2 4.04Å; L1092-T1108 HydrophobicContact CD1-CG2 4.19Å; N1097-T1108 PolarHBondContact O-N 2.73Å; T1108-T1120 HydrophobicContact CG2-CG2 3.68Å; T1108-L1122 HydrophobicContact CG2-CD2 4.28Å; T1108-L1122 VanDerWaalsContact OG1-CD2 3.24Å; T1108-L1122 WeakPolarHBondContact OG1-CD2 3.44Å |
| 1109 | K | 94 | Very high | 94.5 | Very high | 111 Ų | 111 | 53.6 Ų | 53.6 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -45.9 | -176.4 | -64.2 | -53.9 | -173.5 | -174.3 | 0 | 112.7 | T1107 G1121 K1123 | T1107-K1109 HydrophobicContact CG2-CD 4.31Å; T1107-K1109 PolarHBondContact O-N 2.8Å; K1109-G1121 WeakPolarHBondContact CB-O 3.38Å; K1109-G1121 PolarHBondContact N-O 2.88Å; K1109-K1123 HydrophobicContact CD-CB 4.39Å; K1109-K1123 HydrophobicContact CG-CB 4.04Å |
| 1110 | F | 92 | Very high | 94.6 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 162.6 | 176.1 | 59.5 | -93.5 | 0 | 0 | 0 | 108.7 | G1121 W1136 | F1110-G1121 PolarHBondContact O-N 2.85Å; F1110-W1136 HydrophobicContact CE2-CE3 4.38Å; F1110-W1136 HydrophobicContact CE2-CH2 4.35Å; F1110-W1136 AromaticContact CE2-CZ3 3.77Å; F1110-W1136 HydrophobicContact CE2-CZ3 3.77Å; F1110-W1136 HydrophobicContact CZ-CE3 4.18Å; F1110-W1136 AromaticContact CZ-CH2 3.76Å; F1110-W1136 HydrophobicContact CZ-CH2 3.76Å; F1110-W1136 AromaticContact CZ-CZ3 3.56Å; F1110-W1136 HydrophobicContact CZ-CZ3 3.56Å |
| 1111 | R | 93.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 129.9 | 168.4 | 180 | 165.4 | 169.7 | -92.4 | -3.2 | 107.1 | L1092 E1113 A1118 T1119 T1120 | L1092-R1111 HydrophobicContact CD2-CB 3.99Å; R1111-E1113 VanDerWaalsContact CZ-CD 3.47Å; R1111-E1113 IonicContact CZ-OE1 2.65Å; R1111-E1113 IonicContact NH1-OE1 3.93Å; R1111-E1113 PolarHBondContact NH1-OE1 3.02Å; R1111-E1113 IonicContact NH1-OE2 3.54Å; R1111-E1113 PolarHBondContact NH1-OE2 2.83Å; R1111-E1113 VanDerWaalsContact NH1-OE2 3.14Å; R1111-E1113 IonicContact NH2-OE1 2.73Å; R1111-E1113 PolarHBondContact NH2-OE1 2.92Å; R1111-A1118 HydrophobicContact CG-CB 4.47Å; R1111-T1119 CarbonylContact C-O 3.42Å; R1111-T1119 WeakPolarHBondContact CA-O 3.18Å; R1111-T1120 HydrophobicContact CB-CG2 4.27Å; R1111-T1120 WeakPolarHBondContact CD-OG1 3.35Å; R1111-T1120 WeakPolarHBondContact CG-OG1 3.45Å |
| 1112 | T | 92.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.9 | 174.2 | -50.6 | 0 | 0 | 0 | 0 | 106.9 | Y1114 A1118 T1119 | T1112-Y1114 HydrophobicContact CG2-CD2 4.26Å; T1112-Y1114 HydrophobicContact CG2-CE1 4.45Å; T1112-Y1114 HydrophobicContact CG2-CE2 3.58Å; T1112-A1118 CarbonylContact O-C 3.51Å; T1112-A1118 WeakPolarHBondContact O-CA 3.48Å; T1112-T1119 PolarHBondContact N-O 3.02Å; T1112-T1119 PolarHBondContact O-N 3.12Å |
| 1113 | E | 91.1 | Very high | 94.8 | Very high | 135 Ų | 135 | 47 Ų | 47 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.9 | 173.7 | -72.2 | 173.6 | 121.5 | 0 | 0 | 109.2 | R1111 A1118 | R1111-E1113 VanDerWaalsContact CZ-CD 3.47Å; R1111-E1113 IonicContact CZ-OE1 2.65Å; R1111-E1113 IonicContact NH1-OE1 3.93Å; R1111-E1113 PolarHBondContact NH1-OE1 3.02Å; R1111-E1113 IonicContact NH1-OE2 3.54Å; R1111-E1113 PolarHBondContact NH1-OE2 2.83Å; R1111-E1113 VanDerWaalsContact NH1-OE2 3.14Å; R1111-E1113 IonicContact NH2-OE1 2.73Å; R1111-E1113 PolarHBondContact NH2-OE1 2.92Å; E1113-A1118 HydrophobicContact CG-CB 3.98Å |
| 1114 | Y | 90.6 | Very high | 94.9 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 161.4 | 170.9 | -53.6 | -103.8 | 0 | 0 | 0 | 106.3 | T1112 S1116 Y1117 | T1112-Y1114 HydrophobicContact CG2-CD2 4.26Å; T1112-Y1114 HydrophobicContact CG2-CE1 4.45Å; T1112-Y1114 HydrophobicContact CG2-CE2 3.58Å; Y1114-S1116 VanDerWaalsContact C-N 3.31Å; Y1114-S1116 PolarHBondContact O-N 2.86Å; Y1114-S1116 VanDerWaalsContact O-N 3.16Å; Y1114-Y1117 CarbonylContact C-O 3.59Å; Y1114-Y1117 WeakPolarHBondContact CA-O 3.49Å; Y1114-Y1117 WeakPolarHBondContact CB-O 3.47Å; Y1114-Y1117 HydrophobicContact CD1-CE2 4.31Å; Y1114-Y1117 AromaticContact CD2-CD2 3.68Å; Y1114-Y1117 HydrophobicContact CD2-CD2 3.68Å; Y1114-Y1117 AromaticContact CD2-CE2 3.29Å; Y1114-Y1117 HydrophobicContact CD2-CE2 3.29Å; Y1114-Y1117 HydrophobicContact CE2-CD2 4.33Å; Y1114-Y1117 AromaticContact CE2-CE2 3.68Å; Y1114-Y1117 HydrophobicContact CE2-CE2 3.68Å; Y1114-Y1117 HydrophobicContact CG-CD2 4.18Å; Y1114-Y1117 AromaticContact CG-CE2 3.66Å; Y1114-Y1117 HydrophobicContact CG-CE2 3.66Å; Y1114-Y1117 AromaticContact CG-CZ 3.91Å; Y1114-Y1117 PolarHBondContact N-O 2.99Å; Y1114-Y1117 PolarHBondContact O-N 2.77Å |
| 1115 | N | 84.3 | Confident | 94.9 | Very high | 160 Ų | 160 | 46.5 Ų | 46.5 | 86% | 0.856 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51 | -47.9 | -171 | -59.4 | 12.4 | 0 | 0 | 0 | 112.9 | ||
| 1116 | S | 91 | Very high | 94.9 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -6.3 | -176.7 | -54.7 | 0 | 0 | 0 | 0 | 115.6 | Y1114 Y1140 T1141 D1142 G1154 | Y1114-S1116 VanDerWaalsContact C-N 3.31Å; Y1114-S1116 PolarHBondContact O-N 2.86Å; Y1114-S1116 VanDerWaalsContact O-N 3.16Å; S1116-Y1140 WeakPolarHBondContact O-CD2 3.44Å; S1116-Y1140 WeakPolarHBondContact O-CE2 3.36Å; S1116-T1141 VanDerWaalsContact C-OG1 3.27Å; S1116-T1141 PolarHBondContact O-N 2.76Å; S1116-T1141 PolarHBondContact O-OG1 3.27Å; S1116-D1142 VanDerWaalsContact CB-OD2 3.23Å; S1116-D1142 WeakPolarHBondContact CB-OD2 3.44Å; S1116-D1142 PolarHBondContact O-N 2.87Å; S1116-D1142 PolarHBondContact OG-OD2 3.16Å; S1116-G1154 WeakPolarHBondContact OG-CA 3.37Å |
| 1117 | Y | 95.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 48 Ų | 48 | 8% | 0.078 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 161.1 | -177.1 | 65.4 | -97.5 | 0 | 0 | 0 | 114.3 | Y1114 Q1139 T1141 S1157 Y1158 Q1161 | Y1114-Y1117 CarbonylContact C-O 3.59Å; Y1114-Y1117 WeakPolarHBondContact CA-O 3.49Å; Y1114-Y1117 WeakPolarHBondContact CB-O 3.47Å; Y1114-Y1117 HydrophobicContact CD1-CE2 4.31Å; Y1114-Y1117 AromaticContact CD2-CD2 3.68Å; Y1114-Y1117 HydrophobicContact CD2-CD2 3.68Å; Y1114-Y1117 AromaticContact CD2-CE2 3.29Å; Y1114-Y1117 HydrophobicContact CD2-CE2 3.29Å; Y1114-Y1117 HydrophobicContact CE2-CD2 4.33Å; Y1114-Y1117 AromaticContact CE2-CE2 3.68Å; Y1114-Y1117 HydrophobicContact CE2-CE2 3.68Å; Y1114-Y1117 HydrophobicContact CG-CD2 4.18Å; Y1114-Y1117 AromaticContact CG-CE2 3.66Å; Y1114-Y1117 HydrophobicContact CG-CE2 3.66Å; Y1114-Y1117 AromaticContact CG-CZ 3.91Å; Y1114-Y1117 PolarHBondContact N-O 2.99Å; Y1114-Y1117 PolarHBondContact O-N 2.77Å; Y1117-Q1139 CarbonylContact C-O 3.49Å; Y1117-Q1139 WeakPolarHBondContact CA-O 3.45Å; Y1117-Q1139 VanDerWaalsContact CB-O 3.29Å; Y1117-Q1139 WeakPolarHBondContact CB-O 3.44Å; Y1117-T1141 PolarHBondContact N-OG1 2.92Å; Y1117-S1157 VanDerWaalsContact CE1-C 3.5Å; Y1117-S1157 VanDerWaalsContact CE1-O 3.29Å; Y1117-S1157 WeakPolarHBondContact CE1-O 3.33Å; Y1117-S1157 PolarHBondContact OH-O 3.39Å; Y1117-S1157 VanDerWaalsContact OH-O 3.14Å; Y1117-Y1158 HydrophobicContact CD1-CD2 4.12Å; Y1117-Y1158 HydrophobicContact CD1-CG 4.44Å; Y1117-Y1158 HydrophobicContact CD2-CD2 4.28Å; Y1117-Y1158 AromaticContact CG-CD2 3.76Å; Y1117-Y1158 HydrophobicContact CG-CD2 3.76Å; Y1117-Y1158 HydrophobicContact CG-CG 4.5Å; Y1117-Q1161 HydrophobicContact CE2-CB 4.03Å; Y1117-Q1161 HydrophobicContact CE2-CG 3.77Å |
| 1118 | A | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1111 T1112 E1113 Q1139 | R1111-A1118 HydrophobicContact CG-CB 4.47Å; T1112-A1118 CarbonylContact O-C 3.51Å; T1112-A1118 WeakPolarHBondContact O-CA 3.48Å; E1113-A1118 HydrophobicContact CG-CB 3.98Å; A1118-Q1139 PolarHBondContact N-O 2.83Å; A1118-Q1139 PolarHBondContact O-N 2.76Å |
| 1119 | T | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.9 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | R1111 T1112 W1136 L1138 Q1161 | R1111-T1119 CarbonylContact C-O 3.42Å; R1111-T1119 WeakPolarHBondContact CA-O 3.18Å; T1112-T1119 PolarHBondContact N-O 3.02Å; T1112-T1119 PolarHBondContact O-N 3.12Å; T1119-W1136 HydrophobicContact CG2-CE3 3.69Å; T1119-W1136 HydrophobicContact CG2-CZ3 3.98Å; T1119-L1138 HydrophobicContact CG2-CG 4.45Å; T1119-Q1161 PolarHBondContact OG1-NE2 3.2Å; T1119-Q1161 VanDerWaalsContact OG1-NE2 3.11Å |
| 1120 | T | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.6 | -177.8 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | T1108 R1111 L1122 H1137 | T1108-T1120 HydrophobicContact CG2-CG2 3.68Å; R1111-T1120 HydrophobicContact CB-CG2 4.27Å; R1111-T1120 WeakPolarHBondContact CD-OG1 3.35Å; R1111-T1120 WeakPolarHBondContact CG-OG1 3.45Å; T1120-L1122 HydrophobicContact CG2-CD2 3.67Å; T1120-L1122 HydrophobicContact CG2-CG 4.25Å; T1120-L1122 PolarHBondContact O-N 2.86Å; T1120-H1137 WeakPolarHBondContact CB-O 3.38Å; T1120-H1137 PolarHBondContact N-O 3.12Å; T1120-H1137 PolarHBondContact O-N 3.01Å |
| 1121 | G | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 109.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1109 F1110 | K1109-G1121 WeakPolarHBondContact CB-O 3.38Å; K1109-G1121 PolarHBondContact N-O 2.88Å; F1110-G1121 PolarHBondContact O-N 2.85Å |
| 1122 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.1 | 178 | -55.5 | 178.7 | 0 | 0 | 0 | 110.3 | W1060 W1089 V1106 T1108 T1120 T1134 V1135 H1137 | W1060-L1122 HydrophobicContact CH2-CD1 3.69Å; W1060-L1122 HydrophobicContact CZ2-CD1 4.15Å; W1089-L1122 HydrophobicContact CB-CD1 3.91Å; W1089-L1122 HydrophobicContact CB-CD2 4.24Å; W1089-L1122 HydrophobicContact CG-CD1 4.4Å; V1106-L1122 HydrophobicContact CG1-CB 4.29Å; V1106-L1122 HydrophobicContact CG1-CD1 4.29Å; V1106-L1122 HydrophobicContact CG1-CD2 4.33Å; T1108-L1122 HydrophobicContact CG2-CD2 4.28Å; T1108-L1122 VanDerWaalsContact OG1-CD2 3.24Å; T1108-L1122 WeakPolarHBondContact OG1-CD2 3.44Å; T1120-L1122 HydrophobicContact CG2-CD2 3.67Å; T1120-L1122 HydrophobicContact CG2-CG 4.25Å; T1120-L1122 PolarHBondContact O-N 2.86Å; L1122-T1134 CarbonylContact O-C 3.59Å; L1122-T1134 WeakPolarHBondContact O-CA 3.42Å; L1122-V1135 WeakPolarHBondContact CA-O 3.47Å; L1122-V1135 WeakPolarHBondContact CB-O 3.38Å; L1122-V1135 PolarHBondContact N-O 2.96Å; L1122-V1135 PolarHBondContact O-N 2.67Å; L1122-H1137 HydrophobicContact CD1-CB 3.71Å; L1122-H1137 HydrophobicContact CG-CB 4.21Å |
| 1123 | K | 97.3 | Very high | 95 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.1 | 166.7 | -166.8 | -175.2 | -170.2 | -160.3 | 0 | 109 | V1106 T1107 K1109 E1132 | V1106-K1123 CarbonylContact C-O 3.53Å; T1107-K1123 PolarHBondContact N-O 2.82Å; T1107-K1123 PolarHBondContact O-N 2.91Å; K1109-K1123 HydrophobicContact CD-CB 4.39Å; K1109-K1123 HydrophobicContact CG-CB 4.04Å; K1123-E1132 WeakPolarHBondContact CE-OE1 3.25Å; K1123-E1132 WeakPolarHBondContact CE-OE2 3.36Å; K1123-E1132 IonicContact NZ-OE1 3.17Å; K1123-E1132 PolarHBondContact NZ-OE1 2.84Å; K1123-E1132 IonicContact NZ-OE2 3.59Å; K1123-E1132 PolarHBondContact NZ-OE2 3.17Å |
| 1124 | V | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.6 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | W1060 W1064 F1104 E1132 R1133 V1135 | W1060-V1124 HydrophobicContact CE3-CG1 4.31Å; W1060-V1124 HydrophobicContact CE3-CG2 3.89Å; W1060-V1124 HydrophobicContact CH2-CG2 4.16Å; W1060-V1124 HydrophobicContact CZ3-CG2 3.44Å; W1060-V1124 VanDerWaalsContact CZ3-CG2 3.44Å; W1064-V1124 HydrophobicContact CE3-CG1 3.93Å; W1064-V1124 HydrophobicContact CZ3-CB 4.42Å; W1064-V1124 HydrophobicContact CZ3-CG1 4.18Å; F1104-V1124 HydrophobicContact CB-CG1 4.27Å; F1104-V1124 HydrophobicContact CD1-CG1 4.29Å; V1124-E1132 CarbonylContact O-C 3.55Å; V1124-E1132 VanDerWaalsContact O-CA 3.24Å; V1124-E1132 WeakPolarHBondContact O-CA 3.03Å; V1124-R1133 PolarHBondContact N-O 2.81Å; V1124-R1133 PolarHBondContact O-N 3.48Å; V1124-V1135 HydrophobicContact CG2-CB 4.19Å; V1124-V1135 HydrophobicContact CG2-CG2 3.71Å |
| 1125 | K | 97.7 | Very high | 95.5 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 30% | 0.3 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.8 | 170.2 | 177.1 | 176.5 | 178.3 | 91.4 | 0 | 109.3 | F1104 K1105 L1127 G1130 Q1131 E1132 | F1104-K1125 WeakPolarHBondContact CA-O 3.39Å; K1105-K1125 PolarHBondContact N-O 3.31Å; K1105-K1125 PolarHBondContact O-N 3.15Å; K1125-L1127 PolarHBondContact O-N 3.05Å; K1125-G1130 PolarHBondContact NZ-O 2.61Å; K1125-Q1131 WeakPolarHBondContact CA-O 3.46Å; K1125-E1132 HydrophobicContact CB-CG 3.96Å; K1125-E1132 HydrophobicContact CD-CG 4.22Å; K1125-E1132 HydrophobicContact CG-CG 3.88Å |
| 1126 | H | 97.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 123.3 | 165.9 | 179.9 | -138.9 | 0 | 0 | 0 | 108.8 | W1064 F1104 S1129 G1130 Q1131 | W1064-H1126 HydrophobicContact CD2-CB 4.02Å; W1064-H1126 HydrophobicContact CE3-CB 4.27Å; W1064-H1126 HydrophobicContact CH2-CB 3.89Å; W1064-H1126 HydrophobicContact CZ2-CB 3.59Å; W1064-H1126 HydrophobicContact CZ3-CB 4.21Å; F1104-H1126 HydrophobicContact CD1-CB 4.1Å; F1104-H1126 AromaticContact CD1-CD2 3.96Å; F1104-H1126 HydrophobicContact CE1-CB 3.92Å; F1104-H1126 AromaticContact CE1-CD2 3.38Å; F1104-H1126 WeakPolarHBondContact CE1-CD2 3.27Å; F1104-H1126 AromaticContact CE1-CG 3.84Å; F1104-H1126 AromaticContact CZ-CD2 3.87Å; H1126-S1129 PolarHBondContact ND1-N 2.93Å; H1126-S1129 PolarHBondContact ND1-OG 2.76Å; H1126-G1130 VanDerWaalsContact O-CA 3.25Å; H1126-G1130 WeakPolarHBondContact O-CA 3.47Å; H1126-G1130 PolarHBondContact O-N 2.93Å; H1126-Q1131 PolarHBondContact N-O 2.92Å |
| 1127 | L | 96.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 41.9 Ų | 41.9 | 41% | 0.414 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -28.1 | -170.5 | -68.7 | 175.9 | 0 | 0 | 0 | 113.1 | T1100 K1103 K1105 K1125 | T1100-L1127 HydrophobicContact CG2-CD1 3.72Å; K1103-L1127 VanDerWaalsContact O-CB 3.3Å; K1103-L1127 WeakPolarHBondContact O-CB 3.49Å; K1103-L1127 WeakPolarHBondContact O-CG 3.47Å; K1103-L1127 PolarHBondContact O-N 3.19Å; K1105-L1127 HydrophobicContact CB-CD1 4.48Å; K1105-L1127 HydrophobicContact CB-CD2 3.82Å; K1105-L1127 HydrophobicContact CB-CG 4.26Å; K1125-L1127 PolarHBondContact O-N 3.05Å |
| 1128 | L | 94.2 | Very high | 96.7 | Very high | 131 Ų | 131 | 40.9 Ų | 40.9 | 69% | 0.686 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -49.1 | -177.5 | -53.4 | 178 | 0 | 0 | 0 | 112.5 | K1103 G1130 | K1103-L1128 HydrophobicContact CD-CD1 3.98Å; K1103-L1128 HydrophobicContact CG-CD1 4.23Å; L1128-G1130 VanDerWaalsContact C-N 3.33Å |
| 1129 | S | 95.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.2 | 176.4 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | H1126 Q1131 | H1126-S1129 PolarHBondContact ND1-N 2.93Å; H1126-S1129 PolarHBondContact ND1-OG 2.76Å; S1129-Q1131 PolarHBondContact O-N 3.29Å; S1129-Q1131 PolarHBondContact OG-OE1 3.2Å |
| 1130 | G | 94.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 21% | 0.212 | S | C | . | . | trans | 70.1 | -5.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K1125 H1126 L1128 | K1125-G1130 PolarHBondContact NZ-O 2.61Å; H1126-G1130 VanDerWaalsContact O-CA 3.25Å; H1126-G1130 WeakPolarHBondContact O-CA 3.47Å; H1126-G1130 PolarHBondContact O-N 2.93Å; L1128-G1130 VanDerWaalsContact C-N 3.33Å | ||
| 1131 | Q | 95.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 44.6 Ų | 44.6 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | trans | -63.1 | 156 | 178.6 | -69.2 | 164.6 | -39.8 | 0 | 0 | 111.9 | W1064 K1125 H1126 S1129 | W1064-Q1131 HydrophobicContact CH2-CB 3.87Å; W1064-Q1131 HydrophobicContact CZ2-CB 3.79Å; K1125-Q1131 WeakPolarHBondContact CA-O 3.46Å; H1126-Q1131 PolarHBondContact N-O 2.92Å; S1129-Q1131 PolarHBondContact O-N 3.29Å; S1129-Q1131 PolarHBondContact OG-OE1 3.2Å | ||
| 1132 | E | 95.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138 | -176.8 | -51 | -178.1 | 105.9 | 0 | 0 | 111 | K1123 V1124 K1125 | K1123-E1132 WeakPolarHBondContact CE-OE1 3.25Å; K1123-E1132 WeakPolarHBondContact CE-OE2 3.36Å; K1123-E1132 IonicContact NZ-OE1 3.17Å; K1123-E1132 PolarHBondContact NZ-OE1 2.84Å; K1123-E1132 IonicContact NZ-OE2 3.59Å; K1123-E1132 PolarHBondContact NZ-OE2 3.17Å; V1124-E1132 CarbonylContact O-C 3.55Å; V1124-E1132 VanDerWaalsContact O-CA 3.24Å; V1124-E1132 WeakPolarHBondContact O-CA 3.03Å; K1125-E1132 HydrophobicContact CB-CG 3.96Å; K1125-E1132 HydrophobicContact CD-CG 4.22Å; K1125-E1132 HydrophobicContact CG-CG 3.88Å |
| 1133 | R | 93.6 | Very high | 96.1 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.2 | 176.1 | -164 | -170.1 | -66 | 157.2 | 3 | 109.8 | I1063 W1064 V1068 N1069 V1124 | I1063-R1133 PolarHBondContact O-NH1 2.75Å; W1064-R1133 HydrophobicContact CH2-CB 4.35Å; W1064-R1133 HydrophobicContact CZ3-CB 3.85Å; W1064-R1133 PolarHBondContact O-NH1 2.56Å; W1064-R1133 PolarHBondContact O-NH2 2.78Å; V1068-R1133 WeakPolarHBondContact O-CD 3.38Å; V1068-R1133 PolarHBondContact O-NH1 3.39Å; N1069-R1133 WeakPolarHBondContact OD1-CD 3.06Å; V1124-R1133 PolarHBondContact N-O 2.81Å; V1124-R1133 PolarHBondContact O-N 3.48Å |
| 1134 | T | 95.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 48 Ų | 48 | 47% | 0.466 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131 | 166.2 | -58.5 | 0 | 0 | 0 | 0 | 108.7 | L1122 | L1122-T1134 CarbonylContact O-C 3.59Å; L1122-T1134 WeakPolarHBondContact O-CA 3.42Å |
| 1135 | V | 98 | Very high | 94.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.3 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | I1063 N1069 I1071 L1122 V1124 | I1063-V1135 HydrophobicContact CG2-CG1 4.29Å; I1063-V1135 HydrophobicContact CG2-CG2 3.97Å; N1069-V1135 WeakPolarHBondContact O-CA 3.48Å; I1071-V1135 HydrophobicContact CD1-CG1 3.68Å; I1071-V1135 HydrophobicContact CG1-CG1 3.87Å; L1122-V1135 WeakPolarHBondContact CA-O 3.47Å; L1122-V1135 WeakPolarHBondContact CB-O 3.38Å; L1122-V1135 PolarHBondContact N-O 2.96Å; L1122-V1135 PolarHBondContact O-N 2.67Å; V1124-V1135 HydrophobicContact CG2-CB 4.19Å; V1124-V1135 HydrophobicContact CG2-CG2 3.71Å |
| 1136 | W | 98.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 19% | 0.193 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.3 | 177.1 | -64.1 | 85.4 | 0 | 0 | 0 | 109.5 | N1069 V1070 I1071 F1110 T1119 L1138 V1165 | N1069-W1136 PolarHBondContact O-N 3.05Å; V1070-W1136 CarbonylContact C-O 3.59Å; V1070-W1136 WeakPolarHBondContact CA-O 3.32Å; I1071-W1136 PolarHBondContact N-O 3.21Å; F1110-W1136 HydrophobicContact CE2-CE3 4.38Å; F1110-W1136 HydrophobicContact CE2-CH2 4.35Å; F1110-W1136 AromaticContact CE2-CZ3 3.77Å; F1110-W1136 HydrophobicContact CE2-CZ3 3.77Å; F1110-W1136 HydrophobicContact CZ-CE3 4.18Å; F1110-W1136 AromaticContact CZ-CH2 3.76Å; F1110-W1136 HydrophobicContact CZ-CH2 3.76Å; F1110-W1136 AromaticContact CZ-CZ3 3.56Å; F1110-W1136 HydrophobicContact CZ-CZ3 3.56Å; T1119-W1136 HydrophobicContact CG2-CE3 3.69Å; T1119-W1136 HydrophobicContact CG2-CZ3 3.98Å; W1136-L1138 HydrophobicContact CB-CD1 3.8Å; W1136-V1165 HydrophobicContact CB-CG1 3.54Å; W1136-V1165 HydrophobicContact CD2-CG1 3.85Å; W1136-V1165 HydrophobicContact CE3-CG1 4.42Å; W1136-V1165 HydrophobicContact CE3-CG2 4.39Å; W1136-V1165 HydrophobicContact CG-CG1 3.44Å; W1136-V1165 VanDerWaalsContact CG-CG1 3.44Å |
| 1137 | H | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 105.5 | -179.5 | 171.7 | -69.3 | 0 | 0 | 0 | 109.7 | I1071 Y1088 W1089 T1120 L1122 | I1071-H1137 WeakPolarHBondContact O-CA 3.37Å; Y1088-H1137 AromaticContact CE2-CD2 3.85Å; Y1088-H1137 AromaticContact CZ-CD2 3.78Å; Y1088-H1137 AromaticContact CZ-NE2 3.61Å; Y1088-H1137 PolarHBondContact OH-CD2 2.98Å; Y1088-H1137 VanDerWaalsContact OH-CD2 3.24Å; Y1088-H1137 PolarHBondContact OH-NE2 2.84Å; Y1088-H1137 VanDerWaalsContact OH-NE2 3.14Å; W1089-H1137 AromaticContact CD2-CE1 3.96Å; W1089-H1137 AromaticContact CD2-NE2 3.63Å; W1089-H1137 AromaticContact CE2-CE1 3.37Å; W1089-H1137 AromaticContact CE2-NE2 3.54Å; W1089-H1137 AromaticContact CE3-NE2 3.8Å; W1089-H1137 AromaticContact CZ2-CE1 3.45Å; W1089-H1137 VanDerWaalsContact CZ2-CE1 3.45Å; W1089-H1137 WeakPolarHBondContact CZ2-CE1 3.29Å; W1089-H1137 AromaticContact CZ2-NE2 3.77Å; W1089-H1137 AromaticContact NE1-CE1 3.57Å; W1089-H1137 AromaticContact NE1-ND1 3.8Å; W1089-H1137 AromaticContact NE1-NE2 3.96Å; T1120-H1137 WeakPolarHBondContact CB-O 3.38Å; T1120-H1137 PolarHBondContact N-O 3.12Å; T1120-H1137 PolarHBondContact O-N 3.01Å; L1122-H1137 HydrophobicContact CD1-CB 3.71Å; L1122-H1137 HydrophobicContact CG-CB 4.21Å |
| 1138 | L | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 103.9 | -175.2 | -67.6 | 69.2 | 0 | 0 | 0 | 108.4 | V1070 I1071 A1072 M1073 T1119 W1136 Y1158 Q1161 I1162 V1165 | V1070-L1138 HydrophobicContact CG1-CD1 3.99Å; I1071-L1138 PolarHBondContact O-N 3.31Å; A1072-L1138 WeakPolarHBondContact CA-O 3.4Å; M1073-L1138 PolarHBondContact N-O 3.37Å; T1119-L1138 HydrophobicContact CG2-CG 4.45Å; W1136-L1138 HydrophobicContact CB-CD1 3.8Å; L1138-Y1158 HydrophobicContact CB-CE2 3.88Å; L1138-Y1158 WeakPolarHBondContact O-CE2 3Å; L1138-Y1158 PolarHBondContact O-OH 2.97Å; L1138-Q1161 HydrophobicContact CD2-CB 4.35Å; L1138-Q1161 HydrophobicContact CD2-CG 3.77Å; L1138-I1162 HydrophobicContact CD2-CB 4.34Å; L1138-I1162 HydrophobicContact CD2-CG1 3.73Å; L1138-V1165 HydrophobicContact CD1-CG1 4.41Å; L1138-V1165 HydrophobicContact CD1-CG2 4.49Å; L1138-V1165 HydrophobicContact CD2-CG2 4.3Å |
| 1139 | Q | 98.2 | Very high | 93 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.8 | 179.5 | -174.7 | 173.8 | 15.1 | 0 | 0 | 110.7 | M1073 T1075 Y1117 A1118 T1141 | M1073-Q1139 HydrophobicContact CB-CB 4.29Å; M1073-Q1139 HydrophobicContact CB-CG 4.25Å; M1073-Q1139 HydrophobicContact CG-CG 4Å; M1073-Q1139 CarbonylContact O-C 3.58Å; M1073-Q1139 VanDerWaalsContact O-CA 3.3Å; M1073-Q1139 WeakPolarHBondContact O-CA 3.5Å; M1073-Q1139 HydrophobicContact SD-CG 4.12Å; T1075-Q1139 PolarHBondContact O-NE2 3.29Å; Y1117-Q1139 CarbonylContact C-O 3.49Å; Y1117-Q1139 WeakPolarHBondContact CA-O 3.45Å; Y1117-Q1139 VanDerWaalsContact CB-O 3.29Å; Y1117-Q1139 WeakPolarHBondContact CB-O 3.44Å; A1118-Q1139 PolarHBondContact N-O 2.83Å; A1118-Q1139 PolarHBondContact O-N 2.76Å; Q1139-T1141 HydrophobicContact CG-CG2 4.12Å |
| 1140 | Y | 97.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 126.9 | 165.4 | -169.8 | -106.3 | 0 | 0 | 0 | 109 | M1073 V1074 S1116 D1142 W1143 P1149 F1155 Y1158 | M1073-Y1140 PolarHBondContact O-N 2.95Å; V1074-Y1140 HydrophobicContact CG1-CD1 4.48Å; S1116-Y1140 WeakPolarHBondContact O-CD2 3.44Å; S1116-Y1140 WeakPolarHBondContact O-CE2 3.36Å; Y1140-D1142 VanDerWaalsContact CE1-C 3.46Å; Y1140-D1142 HydrophobicContact CE1-CB 4.01Å; Y1140-D1142 HydrophobicContact CE2-CB 4.18Å; Y1140-W1143 HydrophobicContact CD1-CB 4.04Å; Y1140-W1143 HydrophobicContact CD1-CE3 4.16Å; Y1140-W1143 HydrophobicContact CE1-CB 3.97Å; Y1140-W1143 HydrophobicContact CE1-CE3 4.12Å; Y1140-P1149 HydrophobicContact CE1-CG 3.71Å; Y1140-P1149 VanDerWaalsContact OH-CB 3.29Å; Y1140-P1149 WeakPolarHBondContact OH-CB 3.39Å; Y1140-P1149 VanDerWaalsContact OH-CG 3.31Å; Y1140-P1149 WeakPolarHBondContact OH-CG 3.36Å; Y1140-F1155 HydrophobicContact CD1-CD2 4.45Å; Y1140-F1155 HydrophobicContact CD2-CD2 4.28Å; Y1140-F1155 HydrophobicContact CE1-CD2 4.05Å; Y1140-F1155 HydrophobicContact CE2-CB 4.17Å; Y1140-F1155 AromaticContact CE2-CD2 3.9Å; Y1140-F1155 HydrophobicContact CE2-CD2 3.9Å; Y1140-F1155 AromaticContact CZ-CD2 3.76Å; Y1140-Y1158 AromaticContact CD2-CD1 3.92Å; Y1140-Y1158 HydrophobicContact CD2-CD1 3.92Å; Y1140-Y1158 HydrophobicContact CD2-CD2 4.12Å; Y1140-Y1158 AromaticContact CD2-CG 3.68Å; Y1140-Y1158 HydrophobicContact CD2-CG 3.68Å; Y1140-Y1158 HydrophobicContact CG-CD1 4.22Å; Y1140-Y1158 HydrophobicContact CG-CE1 4.42Å; Y1140-Y1158 HydrophobicContact CG-CG 4.32Å |
| 1141 | T | 93.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 61.9 Ų | 61.9 | 44% | 0.436 | 31% | 0.31 | S | S | . | . | trans | -111.3 | -8.7 | -171.5 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | S1116 Y1117 Q1139 | S1116-T1141 VanDerWaalsContact C-OG1 3.27Å; S1116-T1141 PolarHBondContact O-N 2.76Å; S1116-T1141 PolarHBondContact O-OG1 3.27Å; Y1117-T1141 PolarHBondContact N-OG1 2.92Å; Q1139-T1141 HydrophobicContact CG-CG2 4.12Å | ||
| 1142 | D | 92.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | trans | -105.7 | 29 | -167.2 | -160.6 | 18.2 | 0 | 0 | 0 | 112.4 | S1116 Y1140 | S1116-D1142 VanDerWaalsContact CB-OD2 3.23Å; S1116-D1142 WeakPolarHBondContact CB-OD2 3.44Å; S1116-D1142 PolarHBondContact O-N 2.87Å; S1116-D1142 PolarHBondContact OG-OD2 3.16Å; Y1140-D1142 VanDerWaalsContact CE1-C 3.46Å; Y1140-D1142 HydrophobicContact CE1-CB 4.01Å; Y1140-D1142 HydrophobicContact CE2-CB 4.18Å | ||
| 1143 | W | 93.2 | Very high | 92 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | trans | -97.6 | 114.8 | 174.6 | -155.1 | -51.2 | 0 | 0 | 0 | 110.2 | V1074 Y1140 G1147 C1148 P1149 F1155 R1193 V1196 Q1235 F1238 | V1074-W1143 HydrophobicContact CG1-CE3 3.7Å; V1074-W1143 HydrophobicContact CG1-CZ3 3.82Å; Y1140-W1143 HydrophobicContact CD1-CB 4.04Å; Y1140-W1143 HydrophobicContact CD1-CE3 4.16Å; Y1140-W1143 HydrophobicContact CE1-CB 3.97Å; Y1140-W1143 HydrophobicContact CE1-CE3 4.12Å; W1143-G1147 PolarHBondContact NE1-O 3.32Å; W1143-C1148 HydrophobicContact CZ2-CB 4.33Å; W1143-P1149 HydrophobicContact CD2-CG 4.03Å; W1143-P1149 HydrophobicContact CE3-CG 4.16Å; W1143-P1149 HydrophobicContact CG-CG 4.24Å; W1143-F1155 HydrophobicContact CE3-CE2 4.45Å; W1143-F1155 AromaticContact CZ3-CE2 3.9Å; W1143-F1155 HydrophobicContact CZ3-CE2 3.9Å; W1143-F1155 HydrophobicContact CZ3-CZ 4.47Å; W1143-R1193 HydrophobicContact CD2-CB 4.45Å; W1143-R1193 HydrophobicContact CD2-CG 3.78Å; W1143-R1193 VanDerWaalsContact CD2-NE 3.34Å; W1143-R1193 HydrophobicContact CE3-CB 4.07Å; W1143-R1193 HydrophobicContact CE3-CG 3.91Å; W1143-R1193 HydrophobicContact CH2-CB 3.9Å; W1143-R1193 HydrophobicContact CH2-CG 3.78Å; W1143-R1193 HydrophobicContact CZ2-CB 4.31Å; W1143-R1193 HydrophobicContact CZ2-CG 3.66Å; W1143-R1193 HydrophobicContact CZ3-CB 3.77Å; W1143-R1193 HydrophobicContact CZ3-CG 3.9Å; W1143-V1196 HydrophobicContact CH2-CB 3.93Å; W1143-V1196 HydrophobicContact CH2-CG1 3.89Å; W1143-V1196 HydrophobicContact CH2-CG2 3.98Å; W1143-V1196 HydrophobicContact CZ3-CB 4.47Å; W1143-V1196 HydrophobicContact CZ3-CG1 4.33Å; W1143-Q1235 HydrophobicContact CZ2-CG 4.14Å; W1143-F1238 HydrophobicContact CH2-CD1 4.5Å | ||
| 1144 | P | 88.9 | Confident | 91.9 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 34% | 0.338 | 27% | 0.272 | S | S | . | . | trans | -64.8 | 160.3 | -179.1 | 25.4 | -34.4 | 0 | 0 | 0 | 113.4 | Q1146 C1148 R1193 | P1144-Q1146 WeakPolarHBondContact CB-O 3.39Å; P1144-Q1146 VanDerWaalsContact CG-O 3.3Å; P1144-Q1146 WeakPolarHBondContact CG-O 3.46Å; P1144-Q1146 PolarHBondContact O-N 3.12Å; P1144-C1148 WeakPolarHBondContact CG-O 3.25Å; P1144-R1193 PolarHBondContact O-NH2 2.95Å; P1144-R1193 VanDerWaalsContact O-NH2 3.17Å | ||
| 1145 | E | 77.8 | Confident | 91.9 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 58% | 0.579 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -64.8 | -28.2 | 179.1 | -51.3 | -160.8 | 157.1 | 0 | 0 | 112.6 | E1079 G1080 | E1079-E1145 HydrophobicContact CB-CG 4.29Å; G1080-E1145 WeakPolarHBondContact CA-OE1 3.39Å; G1080-E1145 WeakPolarHBondContact CA-OE2 3.5Å; G1080-E1145 PolarHBondContact N-OE1 3.2Å; G1080-E1145 PolarHBondContact N-OE2 2.85Å |
| 1146 | Q | 77.8 | Confident | 91.9 | Very high | 170 Ų | 170 | 48.3 Ų | 48.3 | 79% | 0.794 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -123.5 | 144.7 | 176.9 | -55.2 | -173.9 | 28.4 | 0 | 0 | 109.4 | P1144 | P1144-Q1146 WeakPolarHBondContact CB-O 3.39Å; P1144-Q1146 VanDerWaalsContact CG-O 3.3Å; P1144-Q1146 WeakPolarHBondContact CG-O 3.46Å; P1144-Q1146 PolarHBondContact O-N 3.12Å |
| 1147 | G | 87.8 | Confident | 91.7 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 72.2 | -137.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1143 | W1143-G1147 PolarHBondContact NE1-O 3.32Š|
| 1148 | C | 92.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | trans | -142 | 163.2 | -174 | -69.1 | 0 | 0 | 0 | 0 | 109.3 | W1143 P1144 E1150 S1234 Q1235 F1238 | W1143-C1148 HydrophobicContact CZ2-CB 4.33Å; P1144-C1148 WeakPolarHBondContact CG-O 3.25Å; C1148-E1150 PolarHBondContact O-N 3.09Å; C1148-S1234 VanDerWaalsContact SG-C 3.58Å; C1148-Q1235 VanDerWaalsContact SG-CA 3.57Å; C1148-F1238 HydrophobicContact CB-CB 3.88Å; C1148-F1238 HydrophobicContact CB-CD1 4.5Å; C1148-F1238 HydrophobicContact CB-CD2 3.99Å; C1148-F1238 HydrophobicContact CB-CG 3.87Å | ||
| 1149 | P | 90.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | trans | -58.6 | 135.6 | -179.8 | -21.1 | 32.4 | 0 | 0 | 0 | 111.7 | Y1140 W1143 F1238 | Y1140-P1149 HydrophobicContact CE1-CG 3.71Å; Y1140-P1149 VanDerWaalsContact OH-CB 3.29Å; Y1140-P1149 WeakPolarHBondContact OH-CB 3.39Å; Y1140-P1149 VanDerWaalsContact OH-CG 3.31Å; Y1140-P1149 WeakPolarHBondContact OH-CG 3.36Å; W1143-P1149 HydrophobicContact CD2-CG 4.03Å; W1143-P1149 HydrophobicContact CE3-CG 4.16Å; W1143-P1149 HydrophobicContact CG-CG 4.24Å; P1149-F1238 HydrophobicContact CB-CE2 4.02Å; P1149-F1238 HydrophobicContact CB-CZ 3.97Å; P1149-F1238 HydrophobicContact CG-CE1 4.31Å; P1149-F1238 HydrophobicContact CG-CE2 4.21Å; P1149-F1238 HydrophobicContact CG-CZ 3.79Å; P1149-F1238 WeakPolarHBondContact O-CE2 3.47Å | ||
| 1150 | E | 85.2 | Confident | 91.5 | Very high | 191 Ų | 191 | 52.4 Ų | 52.4 | 89% | 0.893 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -78.5 | -34.4 | 172.6 | -62 | -176.6 | 171.3 | 0 | 0 | 110.7 | C1148 V1152 | C1148-E1150 PolarHBondContact O-N 3.09Å; E1150-V1152 PolarHBondContact O-N 3.33Å |
| 1151 | Y | 88.1 | Confident | 91.5 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | trans | -83.9 | 74.7 | 179.9 | -169.9 | -120.2 | 0 | 0 | 0 | 112.4 | P1153 G1154 | Y1151-P1153 VanDerWaalsContact C-N 3.32Å; Y1151-P1153 HydrophobicContact CD2-CG 4.32Å; Y1151-P1153 HydrophobicContact CE1-CB 4.33Å; Y1151-P1153 HydrophobicContact CE2-CB 4.07Å; Y1151-P1153 HydrophobicContact CE2-CG 3.92Å; Y1151-G1154 VanDerWaalsContact CE1-N 3.31Å; Y1151-G1154 PolarHBondContact O-N 2.91Å; Y1151-G1154 VanDerWaalsContact O-N 3.07Å | ||
| 1152 | V | 93.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -47.6 | -42.7 | 176.8 | -177 | 0 | 0 | 0 | 0 | 113.7 | E1150 G1154 F1155 L1156 F1238 Q1241 V1242 Q1245 | E1150-V1152 PolarHBondContact O-N 3.33Å; V1152-G1154 VanDerWaalsContact C-N 3.31Å; V1152-G1154 PolarHBondContact O-N 2.9Å; V1152-F1155 WeakPolarHBondContact O-CB 3.29Å; V1152-F1155 PolarHBondContact O-N 3.45Å; V1152-F1155 VanDerWaalsContact O-N 3.1Å; V1152-L1156 PolarHBondContact O-N 3.26Å; V1152-F1238 HydrophobicContact CG2-CE2 3.98Å; V1152-Q1241 HydrophobicContact CG2-CB 4.27Å; V1152-V1242 HydrophobicContact CG1-CB 4.4Å; V1152-V1242 HydrophobicContact CG1-CG2 3.91Å; V1152-Q1245 HydrophobicContact CG1-CB 3.71Å; V1152-Q1245 HydrophobicContact CG1-CG 4.06Å |
| 1153 | P | 93.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 25% | 0.253 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.9 | -35.4 | 179 | -24.3 | 35.6 | 0 | 0 | 0 | 113.8 | Y1151 F1155 L1156 S1157 | Y1151-P1153 VanDerWaalsContact C-N 3.32Å; Y1151-P1153 HydrophobicContact CD2-CG 4.32Å; Y1151-P1153 HydrophobicContact CE1-CB 4.33Å; Y1151-P1153 HydrophobicContact CE2-CB 4.07Å; Y1151-P1153 HydrophobicContact CE2-CG 3.92Å; P1153-F1155 VanDerWaalsContact C-N 3.26Å; P1153-F1155 PolarHBondContact O-N 2.9Å; P1153-L1156 WeakPolarHBondContact O-CB 3.44Å; P1153-L1156 PolarHBondContact O-N 3.11Å; P1153-S1157 PolarHBondContact O-N 2.96Å; P1153-S1157 PolarHBondContact O-OG 3.43Å |
| 1154 | G | 92.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1116 Y1151 V1152 Y1158 | S1116-G1154 WeakPolarHBondContact OG-CA 3.37Å; Y1151-G1154 VanDerWaalsContact CE1-N 3.31Å; Y1151-G1154 PolarHBondContact O-N 2.91Å; Y1151-G1154 VanDerWaalsContact O-N 3.07Å; V1152-G1154 VanDerWaalsContact C-N 3.31Å; V1152-G1154 PolarHBondContact O-N 2.9Å; G1154-Y1158 PolarHBondContact O-N 3.22Å |
| 1155 | F | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -77.3 | -38.6 | 170.9 | -170.5 | -99.9 | 0 | 0 | 0 | 112 | Y1140 W1143 V1152 P1153 Y1158 L1159 V1196 V1197 A1200 F1238 V1242 | Y1140-F1155 HydrophobicContact CD1-CD2 4.45Å; Y1140-F1155 HydrophobicContact CD2-CD2 4.28Å; Y1140-F1155 HydrophobicContact CE1-CD2 4.05Å; Y1140-F1155 HydrophobicContact CE2-CB 4.17Å; Y1140-F1155 AromaticContact CE2-CD2 3.9Å; Y1140-F1155 HydrophobicContact CE2-CD2 3.9Å; Y1140-F1155 AromaticContact CZ-CD2 3.76Å; W1143-F1155 HydrophobicContact CE3-CE2 4.45Å; W1143-F1155 AromaticContact CZ3-CE2 3.9Å; W1143-F1155 HydrophobicContact CZ3-CE2 3.9Å; W1143-F1155 HydrophobicContact CZ3-CZ 4.47Å; V1152-F1155 WeakPolarHBondContact O-CB 3.29Å; V1152-F1155 PolarHBondContact O-N 3.45Å; V1152-F1155 VanDerWaalsContact O-N 3.1Å; P1153-F1155 VanDerWaalsContact C-N 3.26Å; P1153-F1155 PolarHBondContact O-N 2.9Å; F1155-Y1158 HydrophobicContact CE2-CD1 4.45Å; F1155-Y1158 WeakPolarHBondContact O-CB 3.06Å; F1155-Y1158 PolarHBondContact O-N 3.46Å; F1155-Y1158 VanDerWaalsContact O-N 3.13Å; F1155-L1159 HydrophobicContact CD1-CD1 4.15Å; F1155-L1159 HydrophobicContact CD1-CG 4.31Å; F1155-L1159 HydrophobicContact CE1-CD1 3.85Å; F1155-L1159 HydrophobicContact CE1-CD2 4.18Å; F1155-L1159 HydrophobicContact CE1-CG 4.09Å; F1155-L1159 HydrophobicContact CZ-CD2 4.28Å; F1155-L1159 PolarHBondContact O-N 2.76Å; F1155-L1159 VanDerWaalsContact O-N 3.07Å; F1155-V1196 HydrophobicContact CE1-CG1 4.13Å; F1155-V1196 HydrophobicContact CZ-CG1 3.79Å; F1155-V1197 HydrophobicContact CE2-CG2 3.81Å; F1155-V1197 HydrophobicContact CZ-CG2 3.57Å; F1155-A1200 HydrophobicContact CE1-CB 4.26Å; F1155-F1238 HydrophobicContact CB-CE1 4.38Å; F1155-F1238 HydrophobicContact CB-CZ 3.85Å; F1155-F1238 AromaticContact CD1-CE1 3.72Å; F1155-F1238 HydrophobicContact CD1-CE1 3.72Å; F1155-F1238 AromaticContact CD1-CZ 4Å; F1155-F1238 HydrophobicContact CD1-CZ 4Å; F1155-F1238 HydrophobicContact CD2-CE1 4.11Å; F1155-F1238 HydrophobicContact CD2-CZ 4.31Å; F1155-F1238 AromaticContact CE1-CE1 3.92Å; F1155-F1238 HydrophobicContact CE1-CE1 3.92Å; F1155-F1238 HydrophobicContact CE2-CE1 4.32Å; F1155-F1238 AromaticContact CG-CE1 3.81Å; F1155-F1238 HydrophobicContact CG-CE1 3.81Å; F1155-F1238 AromaticContact CG-CZ 3.8Å; F1155-F1238 HydrophobicContact CG-CZ 3.8Å; F1155-F1238 HydrophobicContact CZ-CE1 4.21Å; F1155-V1242 HydrophobicContact CD1-CG1 4.19Å; F1155-V1242 HydrophobicContact CD1-CG2 3.62Å; F1155-V1242 HydrophobicContact CE1-CG1 4.45Å; F1155-V1242 HydrophobicContact CE1-CG2 4.1Å |
| 1156 | L | 95.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -49.1 | 172.3 | -77.5 | 170.5 | 0 | 0 | 0 | 111.6 | V1152 P1153 Y1158 L1159 E1160 I1204 V1242 Q1245 F1246 | V1152-L1156 PolarHBondContact O-N 3.26Å; P1153-L1156 WeakPolarHBondContact O-CB 3.44Å; P1153-L1156 PolarHBondContact O-N 3.11Å; L1156-Y1158 PolarHBondContact O-N 3.34Å; L1156-Y1158 VanDerWaalsContact O-N 3.14Å; L1156-L1159 WeakPolarHBondContact O-CB 3.31Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1156-E1160 WeakPolarHBondContact O-CG 3.49Å; L1156-E1160 PolarHBondContact O-N 3.07Å; L1156-I1204 HydrophobicContact CD2-CD1 3.81Å; L1156-V1242 HydrophobicContact CD2-CG1 3.66Å; L1156-V1242 HydrophobicContact CG-CG1 4.24Å; L1156-Q1245 HydrophobicContact CD1-CB 3.89Å; L1156-Q1245 HydrophobicContact CD1-CG 3.69Å; L1156-F1246 HydrophobicContact CD2-CB 4.03Å; L1156-F1246 HydrophobicContact CD2-CD2 4.29Å |
| 1157 | S | 95.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.4 | -18.1 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | Y1117 P1153 E1160 Q1161 | Y1117-S1157 VanDerWaalsContact CE1-C 3.5Å; Y1117-S1157 VanDerWaalsContact CE1-O 3.29Å; Y1117-S1157 WeakPolarHBondContact CE1-O 3.33Å; Y1117-S1157 PolarHBondContact OH-O 3.39Å; Y1117-S1157 VanDerWaalsContact OH-O 3.14Å; P1153-S1157 PolarHBondContact O-N 2.96Å; P1153-S1157 PolarHBondContact O-OG 3.43Å; S1157-E1160 WeakPolarHBondContact CA-OE2 3.16Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.41Å; S1157-Q1161 PolarHBondContact O-N 2.84Å |
| 1158 | Y | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.8 | -42.2 | 169.4 | 175.8 | -111.1 | 0 | 0 | 0 | 111.9 | A1072 M1073 Y1117 L1138 Y1140 G1154 F1155 L1156 Q1161 I1162 V1197 | A1072-Y1158 WeakPolarHBondContact CA-OH 3.24Å; A1072-Y1158 WeakPolarHBondContact CB-OH 3.34Å; M1073-Y1158 PolarHBondContact N-OH 3.45Å; M1073-Y1158 PolarHBondContact O-OH 2.97Å; Y1117-Y1158 HydrophobicContact CD1-CD2 4.12Å; Y1117-Y1158 HydrophobicContact CD1-CG 4.44Å; Y1117-Y1158 HydrophobicContact CD2-CD2 4.28Å; Y1117-Y1158 AromaticContact CG-CD2 3.76Å; Y1117-Y1158 HydrophobicContact CG-CD2 3.76Å; Y1117-Y1158 HydrophobicContact CG-CG 4.5Å; L1138-Y1158 HydrophobicContact CB-CE2 3.88Å; L1138-Y1158 WeakPolarHBondContact O-CE2 3Å; L1138-Y1158 PolarHBondContact O-OH 2.97Å; Y1140-Y1158 AromaticContact CD2-CD1 3.92Å; Y1140-Y1158 HydrophobicContact CD2-CD1 3.92Å; Y1140-Y1158 HydrophobicContact CD2-CD2 4.12Å; Y1140-Y1158 AromaticContact CD2-CG 3.68Å; Y1140-Y1158 HydrophobicContact CD2-CG 3.68Å; Y1140-Y1158 HydrophobicContact CG-CD1 4.22Å; Y1140-Y1158 HydrophobicContact CG-CE1 4.42Å; Y1140-Y1158 HydrophobicContact CG-CG 4.32Å; G1154-Y1158 PolarHBondContact O-N 3.22Å; F1155-Y1158 HydrophobicContact CE2-CD1 4.45Å; F1155-Y1158 WeakPolarHBondContact O-CB 3.06Å; F1155-Y1158 PolarHBondContact O-N 3.46Å; F1155-Y1158 VanDerWaalsContact O-N 3.13Å; L1156-Y1158 PolarHBondContact O-N 3.34Å; L1156-Y1158 VanDerWaalsContact O-N 3.14Å; Y1158-Q1161 PolarHBondContact O-N 3.23Å; Y1158-I1162 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1162 HydrophobicContact CE1-CD1 3.54Å; Y1158-I1162 HydrophobicContact CE2-CD1 4.42Å; Y1158-I1162 WeakPolarHBondContact O-CG1 3.33Å; Y1158-I1162 PolarHBondContact O-N 3.48Å; Y1158-V1197 HydrophobicContact CE1-CG2 4.15Å |
| 1159 | L | 97.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 173.4 | -60.6 | -178.7 | 0 | 0 | 0 | 111.5 | F1155 L1156 Q1161 I1162 Q1163 V1197 A1200 I1204 V1242 | F1155-L1159 HydrophobicContact CD1-CD1 4.15Å; F1155-L1159 HydrophobicContact CD1-CG 4.31Å; F1155-L1159 HydrophobicContact CE1-CD1 3.85Å; F1155-L1159 HydrophobicContact CE1-CD2 4.18Å; F1155-L1159 HydrophobicContact CE1-CG 4.09Å; F1155-L1159 HydrophobicContact CZ-CD2 4.28Å; F1155-L1159 PolarHBondContact O-N 2.76Å; F1155-L1159 VanDerWaalsContact O-N 3.07Å; L1156-L1159 WeakPolarHBondContact O-CB 3.31Å; L1156-L1159 PolarHBondContact O-N 2.84Å; L1159-Q1161 VanDerWaalsContact C-N 3.25Å; L1159-Q1161 PolarHBondContact O-N 2.71Å; L1159-I1162 HydrophobicContact CD2-CD1 4.38Å; L1159-I1162 WeakPolarHBondContact O-CB 3.21Å; L1159-I1162 PolarHBondContact O-N 3.09Å; L1159-I1162 VanDerWaalsContact O-N 3.12Å; L1159-Q1163 PolarHBondContact O-N 3.44Å; L1159-V1197 HydrophobicContact CD2-CB 4.41Å; L1159-V1197 HydrophobicContact CD2-CG1 3.92Å; L1159-V1197 HydrophobicContact CD2-CG2 4.36Å; L1159-A1200 HydrophobicContact CD1-CB 3.75Å; L1159-I1204 HydrophobicContact CD1-CD1 3.74Å; L1159-V1242 HydrophobicContact CD1-CG1 4.23Å |
| 1160 | E | 95.4 | Very high | 93.2 | Very high | 97 Ų | 97 | 44.7 Ų | 44.7 | 45% | 0.453 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -54.7 | -41.9 | 173.2 | -71.2 | 167.4 | -173.8 | 0 | 0 | 111.6 | L1156 S1157 Q1163 S1164 | L1156-E1160 WeakPolarHBondContact O-CG 3.49Å; L1156-E1160 PolarHBondContact O-N 3.07Å; S1157-E1160 WeakPolarHBondContact CA-OE2 3.16Å; E1160-Q1163 PolarHBondContact O-N 3.18Å; E1160-S1164 WeakPolarHBondContact O-CB 3.41Å; E1160-S1164 PolarHBondContact O-N 2.88Å |
| 1161 | Q | 96.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -36.8 | 177.5 | -177.3 | 70.9 | -20.6 | 0 | 0 | 112.4 | Y1117 T1119 L1138 S1157 Y1158 L1159 S1164 V1165 | Y1117-Q1161 HydrophobicContact CE2-CB 4.03Å; Y1117-Q1161 HydrophobicContact CE2-CG 3.77Å; T1119-Q1161 PolarHBondContact OG1-NE2 3.2Å; T1119-Q1161 VanDerWaalsContact OG1-NE2 3.11Å; L1138-Q1161 HydrophobicContact CD2-CB 4.35Å; L1138-Q1161 HydrophobicContact CD2-CG 3.77Å; S1157-Q1161 WeakPolarHBondContact O-CB 3.41Å; S1157-Q1161 PolarHBondContact O-N 2.84Å; Y1158-Q1161 PolarHBondContact O-N 3.23Å; L1159-Q1161 VanDerWaalsContact C-N 3.25Å; L1159-Q1161 PolarHBondContact O-N 2.71Å; Q1161-S1164 PolarHBondContact O-N 3.41Å; Q1161-V1165 HydrophobicContact CG-CG2 4.48Å; Q1161-V1165 WeakPolarHBondContact O-CB 3.3Å; Q1161-V1165 VanDerWaalsContact O-CG2 3.3Å; Q1161-V1165 WeakPolarHBondContact O-CG2 3.34Å; Q1161-V1165 PolarHBondContact O-N 2.97Å |
| 1162 | I | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -51.8 | 170.7 | -70.7 | 166 | 0 | 0 | 0 | 109.9 | A1072 L1138 Y1158 L1159 S1164 V1165 R1166 V1183 V1197 | A1072-I1162 HydrophobicContact CB-CD1 3.74Å; A1072-I1162 HydrophobicContact CB-CG1 4.24Å; L1138-I1162 HydrophobicContact CD2-CB 4.34Å; L1138-I1162 HydrophobicContact CD2-CG1 3.73Å; Y1158-I1162 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1162 HydrophobicContact CE1-CD1 3.54Å; Y1158-I1162 HydrophobicContact CE2-CD1 4.42Å; Y1158-I1162 WeakPolarHBondContact O-CG1 3.33Å; Y1158-I1162 PolarHBondContact O-N 3.48Å; L1159-I1162 HydrophobicContact CD2-CD1 4.38Å; L1159-I1162 WeakPolarHBondContact O-CB 3.21Å; L1159-I1162 PolarHBondContact O-N 3.09Å; L1159-I1162 VanDerWaalsContact O-N 3.12Å; I1162-S1164 PolarHBondContact O-N 3.09Å; I1162-V1165 PolarHBondContact O-N 2.93Å; I1162-R1166 VanDerWaalsContact O-CB 3.25Å; I1162-R1166 WeakPolarHBondContact O-CB 3.38Å; I1162-R1166 PolarHBondContact O-N 2.91Å; I1162-V1183 HydrophobicContact CG2-CG1 4.38Å; I1162-V1197 HydrophobicContact CD1-CG1 4.02Å |
| 1163 | Q | 94.4 | Very high | 91.8 | Very high | 18 Ų | 18 | 42.6 Ų | 42.6 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 177.7 | -67.4 | -171.3 | 2.5 | 0 | 0 | 112.2 | L1159 E1160 V1165 R1166 R1167 E1201 | L1159-Q1163 PolarHBondContact O-N 3.44Å; E1160-Q1163 PolarHBondContact O-N 3.18Å; Q1163-V1165 PolarHBondContact O-N 3.02Å; Q1163-R1166 WeakPolarHBondContact O-CB 3.32Å; Q1163-R1166 PolarHBondContact O-N 3.26Å; Q1163-R1167 VanDerWaalsContact CB-NH2 3.34Å; Q1163-R1167 WeakPolarHBondContact O-CB 3.34Å; Q1163-R1167 VanDerWaalsContact O-CG 3.3Å; Q1163-R1167 WeakPolarHBondContact O-CG 3.28Å; Q1163-R1167 PolarHBondContact O-N 3.36Å; Q1163-E1201 HydrophobicContact CG-CG 4.34Å; Q1163-E1201 WeakPolarHBondContact CG-OE1 3.41Å |
| 1164 | S | 94.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | E1160 Q1161 I1162 R1167 H1168 | E1160-S1164 WeakPolarHBondContact O-CB 3.41Å; E1160-S1164 PolarHBondContact O-N 2.88Å; Q1161-S1164 PolarHBondContact O-N 3.41Å; I1162-S1164 PolarHBondContact O-N 3.09Å; S1164-R1167 PolarHBondContact O-N 3.31Å; S1164-H1168 WeakPolarHBondContact O-CB 3.28Å; S1164-H1168 PolarHBondContact O-N 2.71Å |
| 1165 | V | 94.8 | Very high | 88.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | V1070 W1136 L1138 Q1161 I1162 Q1163 R1167 H1168 T1169 | V1070-V1165 HydrophobicContact CG1-CG1 4.25Å; V1070-V1165 HydrophobicContact CG2-CG1 3.86Å; W1136-V1165 HydrophobicContact CB-CG1 3.54Å; W1136-V1165 HydrophobicContact CD2-CG1 3.85Å; W1136-V1165 HydrophobicContact CE3-CG1 4.42Å; W1136-V1165 HydrophobicContact CE3-CG2 4.39Å; W1136-V1165 HydrophobicContact CG-CG1 3.44Å; W1136-V1165 VanDerWaalsContact CG-CG1 3.44Å; L1138-V1165 HydrophobicContact CD1-CG1 4.41Å; L1138-V1165 HydrophobicContact CD1-CG2 4.49Å; L1138-V1165 HydrophobicContact CD2-CG2 4.3Å; Q1161-V1165 HydrophobicContact CG-CG2 4.48Å; Q1161-V1165 WeakPolarHBondContact O-CB 3.3Å; Q1161-V1165 VanDerWaalsContact O-CG2 3.3Å; Q1161-V1165 WeakPolarHBondContact O-CG2 3.34Å; Q1161-V1165 PolarHBondContact O-N 2.97Å; I1162-V1165 PolarHBondContact O-N 2.93Å; Q1163-V1165 PolarHBondContact O-N 3.02Å; V1165-R1167 PolarHBondContact O-N 2.94Å; V1165-H1168 PolarHBondContact O-N 3.38Å; V1165-T1169 HydrophobicContact CG1-CG2 4.27Å; V1165-T1169 WeakPolarHBondContact O-CG2 3.2Å; V1165-T1169 PolarHBondContact O-N 2.86Å; V1165-T1169 PolarHBondContact O-OG1 3.16Å; V1165-T1169 VanDerWaalsContact O-OG1 3.12Å |
| 1166 | R | 93 | Very high | 86.5 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.5 | -49.9 | 175.2 | -171.3 | -164.1 | -54.9 | -126.8 | -0.9 | 111.4 | Y1045 I1162 Q1163 T1169 N1170 V1183 E1201 | Y1045-R1166 VanDerWaalsContact CE1-NH2 3.28Å; I1162-R1166 VanDerWaalsContact O-CB 3.25Å; I1162-R1166 WeakPolarHBondContact O-CB 3.38Å; I1162-R1166 PolarHBondContact O-N 2.91Å; Q1163-R1166 WeakPolarHBondContact O-CB 3.32Å; Q1163-R1166 PolarHBondContact O-N 3.26Å; R1166-T1169 PolarHBondContact O-N 3.44Å; R1166-T1169 PolarHBondContact O-OG1 3.01Å; R1166-T1169 VanDerWaalsContact O-OG1 3.04Å; R1166-N1170 WeakPolarHBondContact O-CB 3.47Å; R1166-N1170 PolarHBondContact O-N 3.38Å; R1166-N1170 PolarHBondContact O-OD1 3.09Å; R1166-V1183 HydrophobicContact CG-CG2 3.99Å; R1166-E1201 IonicContact CZ-OE1 2.61Å; R1166-E1201 IonicContact CZ-OE2 2.63Å; R1166-E1201 IonicContact NE-OE1 3.67Å; R1166-E1201 IonicContact NH2-OE1 2.75Å; R1166-E1201 PolarHBondContact NH2-OE1 3.19Å; R1166-E1201 IonicContact NH2-OE2 2.99Å; R1166-E1201 PolarHBondContact NH2-OE2 3.41Å |
| 1167 | R | 90.7 | Very high | 84.5 | Confident | 138 Ų | 138 | 67.7 Ų | 67.7 | 52% | 0.521 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 175.8 | -72.6 | -177.5 | -108.3 | 117.7 | -11.2 | 111.3 | Q1163 S1164 V1165 N1170 T1171 | Q1163-R1167 VanDerWaalsContact CB-NH2 3.34Å; Q1163-R1167 WeakPolarHBondContact O-CB 3.34Å; Q1163-R1167 VanDerWaalsContact O-CG 3.3Å; Q1163-R1167 WeakPolarHBondContact O-CG 3.28Å; Q1163-R1167 PolarHBondContact O-N 3.36Å; S1164-R1167 PolarHBondContact O-N 3.31Å; V1165-R1167 PolarHBondContact O-N 2.94Å; R1167-N1170 PolarHBondContact O-N 3.09Å; R1167-T1171 WeakPolarHBondContact O-CG2 3.34Å; R1167-T1171 PolarHBondContact O-N 2.92Å; R1167-T1171 VanDerWaalsContact O-N 3.1Å; R1167-T1171 PolarHBondContact O-OG1 3.12Å |
| 1168 | H | 89.8 | Confident | 82.5 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.8 | 178.1 | 51.2 | 0 | 0 | 0 | 113 | S1164 V1165 T1171 M1172 | S1164-H1168 WeakPolarHBondContact O-CB 3.28Å; S1164-H1168 PolarHBondContact O-N 2.71Å; V1165-H1168 PolarHBondContact O-N 3.38Å; H1168-T1171 PolarHBondContact O-OG1 2.89Å; H1168-M1172 WeakPolarHBondContact O-CG 3.36Å |
| 1169 | T | 89.5 | Confident | 81.2 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.8 | -37.1 | 178.9 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | N1069 V1070 V1165 R1166 M1172 | N1069-T1169 HydrophobicContact CB-CG2 3.81Å; V1070-T1169 HydrophobicContact CG2-CG2 4.21Å; V1165-T1169 HydrophobicContact CG1-CG2 4.27Å; V1165-T1169 WeakPolarHBondContact O-CG2 3.2Å; V1165-T1169 PolarHBondContact O-N 2.86Å; V1165-T1169 PolarHBondContact O-OG1 3.16Å; V1165-T1169 VanDerWaalsContact O-OG1 3.12Å; R1166-T1169 PolarHBondContact O-N 3.44Å; R1166-T1169 PolarHBondContact O-OG1 3.01Å; R1166-T1169 VanDerWaalsContact O-OG1 3.04Å; T1169-M1172 PolarHBondContact O-N 3.47Å |
| 1170 | N | 85.6 | Confident | 80.5 | Confident | 31 Ų | 31 | 78.6 Ų | 78.6 | 17% | 0.166 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74.1 | -32.3 | -178.1 | -65.7 | 4.6 | 0 | 0 | 0 | 112.1 | R1166 R1167 M1172 L1173 N1180 | R1166-N1170 WeakPolarHBondContact O-CB 3.47Å; R1166-N1170 PolarHBondContact O-N 3.38Å; R1166-N1170 PolarHBondContact O-OD1 3.09Å; R1167-N1170 PolarHBondContact O-N 3.09Å; N1170-M1172 PolarHBondContact O-N 2.99Å; N1170-L1173 PolarHBondContact O-N 3.26Å; N1170-N1180 PolarHBondContact ND2-OD1 3.3Å |
| 1171 | T | 83.5 | Confident | 80.3 | Confident | 106 Ų | 106 | 75 Ų | 75 | 65% | 0.65 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -7.9 | 172.2 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | R1167 H1168 | R1167-T1171 WeakPolarHBondContact O-CG2 3.34Å; R1167-T1171 PolarHBondContact O-N 2.92Å; R1167-T1171 VanDerWaalsContact O-N 3.1Å; R1167-T1171 PolarHBondContact O-OG1 3.12Å; H1168-T1171 PolarHBondContact O-OG1 2.89Å |
| 1172 | M | 77.9 | Confident | 80.2 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 9.4 | 175.4 | -63.5 | -73.7 | 144.7 | 0 | 0 | 112.9 | H1168 T1169 N1170 | H1168-M1172 WeakPolarHBondContact O-CG 3.36Å; T1169-M1172 PolarHBondContact O-N 3.47Å; N1170-M1172 PolarHBondContact O-N 2.99Å |
| 1173 | L | 76.1 | Confident | 80.3 | Confident | 54 Ų | 54 | 74 Ų | 74 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -105.3 | 141.8 | 178.2 | -58.7 | 175.7 | 0 | 0 | 0 | 111.3 | N1170 T1175 P1181 | N1170-L1173 PolarHBondContact O-N 3.26Å; L1173-T1175 PolarHBondContact O-N 3.17Å; L1173-P1181 VanDerWaalsContact CD1-CD 3.46Å; L1173-P1181 HydrophobicContact CD1-CG 3.81Å |
| 1174 | D | 63 | Low | 80.5 | Confident | 138 Ų | 138 | 73.2 Ų | 73.2 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | trans | -66 | 99.9 | 173.8 | -84.5 | -50.2 | 0 | 0 | 0 | 110.8 | S1176 K1177 | D1174-S1176 PolarHBondContact O-N 3.01Å; D1174-K1177 PolarHBondContact O-N 3Å | ||
| 1175 | T | 56 | Low | 80.7 | Confident | 139 Ų | 139 | 70.8 Ų | 70.8 | 85% | 0.853 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -4.7 | -175.7 | -27.4 | 0 | 0 | 0 | 0 | 114.4 | L1173 | L1173-T1175 PolarHBondContact O-N 3.17Š|
| 1176 | S | 52.2 | Low | 80.9 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 69% | 0.692 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14.8 | -176.8 | 64.1 | 0 | 0 | 0 | 0 | 115 | D1174 | D1174-S1176 PolarHBondContact O-N 3.01Š|
| 1177 | K | 53.8 | Low | 81.1 | Confident | 197 Ų | 197 | 69.5 Ų | 69.5 | 86% | 0.857 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.2 | -6.5 | -169.3 | -69 | -170.9 | -179 | 179.6 | 0 | 118.4 | D1174 | D1174-K1177 PolarHBondContact O-N 3Š|
| 1178 | S | 53.6 | Low | 81.4 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 47% | 0.469 | 35% | 0.349 | S | S | . | . | trans | -129.9 | 136.9 | -173.9 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1179 | L | 70.3 | Confident | 81.7 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 72% | 0.723 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 156.5 | 157.7 | -69.2 | 165.1 | 0 | 0 | 0 | 110.2 | ||
| 1180 | N | 81.9 | Confident | 82.1 | Confident | 73 Ų | 73 | 59 Ų | 59 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 129 | 172.7 | -75.3 | -31.9 | 0 | 0 | 0 | 109.8 | N1170 | N1170-N1180 PolarHBondContact ND2-OD1 3.3Š|
| 1181 | P | 91.2 | Very high | 82.7 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 146.1 | 179.4 | 28.6 | -33.8 | 0 | 0 | 0 | 111.1 | G1067 L1173 | G1067-P1181 WeakPolarHBondContact O-CB 3.48Å; L1173-P1181 VanDerWaalsContact CD1-CD 3.46Å; L1173-P1181 HydrophobicContact CD1-CG 3.81Å |
| 1182 | P | 96.2 | Very high | 83.3 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -64 | 147.6 | -177.5 | 21.2 | -30.4 | 0 | 0 | 0 | 113.2 | H1044 I1046 Q1066 V1068 | H1044-P1182 HydrophobicContact CB-CB 4.43Å; H1044-P1182 WeakPolarHBondContact O-CA 3.42Å; I1046-P1182 HydrophobicContact CD1-CB 4.07Å; I1046-P1182 HydrophobicContact CD1-CG 3.64Å; I1046-P1182 HydrophobicContact CG1-CB 3.95Å; I1046-P1182 HydrophobicContact CG1-CG 4.07Å; Q1066-P1182 HydrophobicContact CB-CG 4.39Å; Q1066-P1182 WeakPolarHBondContact O-CD 3.07Å; V1068-P1182 HydrophobicContact CG2-CG 4.15Å |
| 1183 | V | 98.3 | Very high | 84.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125 | 163.8 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | H1044 Y1045 I1046 V1070 I1162 R1166 V1185 | H1044-V1183 PolarHBondContact O-N 3.25Å; Y1045-V1183 CarbonylContact C-O 3.58Å; Y1045-V1183 VanDerWaalsContact CA-O 3.24Å; Y1045-V1183 WeakPolarHBondContact CA-O 3.35Å; Y1045-V1183 HydrophobicContact CD1-CB 4.14Å; I1046-V1183 PolarHBondContact N-O 2.79Å; V1070-V1183 HydrophobicContact CB-CG1 4.19Å; V1070-V1183 HydrophobicContact CB-CG2 4.2Å; V1070-V1183 HydrophobicContact CG1-CG1 4.09Å; I1162-V1183 HydrophobicContact CG2-CG1 4.38Å; R1166-V1183 HydrophobicContact CG-CG2 3.99Å; V1183-V1185 HydrophobicContact CG1-CG2 4.16Å |
| 1184 | V | 98.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.1 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 108.9 | I1046 T1048 F1059 M1062 I1063 V1068 V1070 I1071 A1072 | I1046-V1184 HydrophobicContact CB-CG2 3.86Å; I1046-V1184 HydrophobicContact CD1-CG2 4.26Å; I1046-V1184 HydrophobicContact CG2-CG2 4.12Å; I1046-V1184 CarbonylContact O-C 3.57Å; I1046-V1184 WeakPolarHBondContact O-CA 3.41Å; T1048-V1184 HydrophobicContact CG2-CG1 3.8Å; F1059-V1184 HydrophobicContact CE2-CG1 4.15Å; F1059-V1184 HydrophobicContact CZ-CG1 4.27Å; M1062-V1184 HydrophobicContact CE-CG1 4.07Å; M1062-V1184 HydrophobicContact CE-CG2 3.85Å; I1063-V1184 HydrophobicContact CD1-CB 4.22Å; I1063-V1184 HydrophobicContact CD1-CG1 4.31Å; I1063-V1184 HydrophobicContact CD1-CG2 3.72Å; V1068-V1184 HydrophobicContact CB-CG2 4.34Å; V1068-V1184 HydrophobicContact CG1-CB 4.31Å; V1068-V1184 HydrophobicContact CG1-CG2 3.78Å; V1068-V1184 HydrophobicContact CG2-CG2 3.68Å; V1070-V1184 PolarHBondContact O-N 3.45Å; V1070-V1184 VanDerWaalsContact O-N 3.08Å; I1071-V1184 CarbonylContact C-O 3.58Å; I1071-V1184 WeakPolarHBondContact CA-O 3.35Å; I1071-V1184 HydrophobicContact CG1-CB 4.37Å; I1071-V1184 HydrophobicContact CG2-CB 4.49Å; I1071-V1184 HydrophobicContact CG2-CG1 4.22Å; A1072-V1184 PolarHBondContact N-O 2.67Å |
| 1185 | V | 98.8 | Very high | 87 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.8 | 178.4 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | Y1045 I1046 T1048 A1072 V1074 V1183 T1194 V1197 I1198 | Y1045-V1185 HydrophobicContact CD1-CG2 3.81Å; Y1045-V1185 HydrophobicContact CE1-CG2 4.41Å; I1046-V1185 PolarHBondContact O-N 3.44Å; T1048-V1185 PolarHBondContact N-O 3.03Å; A1072-V1185 HydrophobicContact CB-CB 4.47Å; A1072-V1185 HydrophobicContact CB-CG1 4.2Å; A1072-V1185 HydrophobicContact CB-CG2 4.22Å; A1072-V1185 WeakPolarHBondContact O-CA 3.37Å; V1074-V1185 HydrophobicContact CG2-CG1 4.11Å; V1183-V1185 HydrophobicContact CG1-CG2 4.16Å; V1185-T1194 HydrophobicContact CB-CG2 4.06Å; V1185-T1194 HydrophobicContact CG1-CG2 3.91Å; V1185-T1194 WeakPolarHBondContact O-CG2 3.33Å; V1185-V1197 HydrophobicContact CG1-CB 4.07Å; V1185-V1197 HydrophobicContact CG1-CG1 3.89Å; V1185-I1198 HydrophobicContact CB-CD1 4.05Å; V1185-I1198 HydrophobicContact CB-CG1 4.22Å; V1185-I1198 HydrophobicContact CG1-CG1 4.35Å; V1185-I1198 HydrophobicContact CG2-CD1 4.07Å; V1185-I1198 HydrophobicContact CG2-CG1 3.95Å |
| 1186 | H | 98.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.8 | -178.1 | 89 | 87.5 | 0 | 0 | 0 | 112.6 | T1048 G1050 A1072 M1073 V1074 Y1088 T1194 | T1048-H1186 HydrophobicContact CG2-CB 3.74Å; T1048-H1186 WeakPolarHBondContact O-CA 3.31Å; T1048-H1186 WeakPolarHBondContact O-CB 3.42Å; G1050-H1186 WeakPolarHBondContact CA-ND1 3.4Å; A1072-H1186 PolarHBondContact O-N 2.98Å; M1073-H1186 WeakPolarHBondContact CB-NE2 3.39Å; M1073-H1186 VanDerWaalsContact CG-CE1 3.44Å; M1073-H1186 WeakPolarHBondContact CG-CE1 3.28Å; M1073-H1186 WeakPolarHBondContact CG-NE2 3.47Å; V1074-H1186 PolarHBondContact N-O 3.13Å; Y1088-H1186 AromaticContact CE1-CE1 3.8Å; Y1088-H1186 AromaticContact CE1-NE2 3.41Å; Y1088-H1186 WeakPolarHBondContact CE1-NE2 3.34Å; Y1088-H1186 AromaticContact CZ-NE2 3.5Å; Y1088-H1186 PolarHBondContact OH-CD2 2.94Å; Y1088-H1186 PolarHBondContact OH-NE2 3.32Å; H1186-T1194 WeakPolarHBondContact CA-OG1 3.29Å |
| 1187 | C | 96.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -127.2 | -123.7 | 166.1 | 65 | 0 | 0 | 0 | 0 | 108.2 | G1050 V1074 G1190 R1193 T1194 | G1050-C1187 WeakPolarHBondContact CA-O 3.43Å; G1050-C1187 PolarHBondContact N-O 3.41Å; V1074-C1187 HydrophobicContact CB-CB 4.31Å; C1187-G1190 PolarHBondContact SG-N 2.85Å; C1187-R1193 HydrophobicContact CB-CB 3.81Å; C1187-R1193 HydrophobicContact CB-CG 4.47Å; C1187-T1194 PolarHBondContact N-OG1 2.99Å |
| 1188 | S | 97 | Very high | 93.4 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -89.2 | -62.4 | 168.6 | -164.9 | 0 | 0 | 0 | 0 | 112.7 | R1004 Q1049 G1050 K1084 | R1004-S1188 WeakPolarHBondContact CD-OG 3.47Å; Q1049-S1188 CarbonylContact C-O 3.57Å; Q1049-S1188 WeakPolarHBondContact CA-O 3.49Å; Q1049-S1188 WeakPolarHBondContact CB-O 3.48Å; G1050-S1188 PolarHBondContact N-O 3.3Å; K1084-S1188 WeakPolarHBondContact CA-OG 3.39Å; K1084-S1188 WeakPolarHBondContact O-CA 3.28Å; K1084-S1188 WeakPolarHBondContact O-CB 3.37Å; K1084-S1188 PolarHBondContact O-OG 3.11Å |
| 1189 | A | 96.5 | Very high | 95.6 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 7% | 0.066 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -85.4 | -10.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1005 V1008 V1191 R1226 | F1005-A1189 HydrophobicContact CD2-CB 3.54Å; F1005-A1189 HydrophobicContact CE2-CB 3.67Å; F1005-A1189 HydrophobicContact CG-CB 4.41Å; V1008-A1189 HydrophobicContact CG1-CB 4.29Å; V1008-A1189 HydrophobicContact CG2-CB 4.37Å; A1189-V1191 HydrophobicContact CB-CG2 3.99Å; A1189-R1226 PolarHBondContact O-NH2 2.85Å; A1189-R1226 VanDerWaalsContact O-NH2 3.15Å |
| 1190 | G | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 74.3 | 23.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1048 C1187 T1194 R1226 | T1048-G1190 WeakPolarHBondContact O-CA 3.47Å; C1187-G1190 PolarHBondContact SG-N 2.85Å; G1190-T1194 WeakPolarHBondContact CA-OG1 3.35Å; G1190-T1194 WeakPolarHBondContact O-CG2 3.36Å; G1190-R1226 PolarHBondContact O-NE 2.81Å |
| 1191 | V | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -137 | -46.4 | -175.6 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | V1008 A1189 G1195 R1226 M1227 L1228 M1229 V1230 Q1231 | V1008-V1191 HydrophobicContact CG1-CB 4.34Å; V1008-V1191 HydrophobicContact CG1-CG1 3.52Å; V1008-V1191 HydrophobicContact CG1-CG2 3.8Å; A1189-V1191 HydrophobicContact CB-CG2 3.99Å; V1191-G1195 VanDerWaalsContact O-CA 3.3Å; V1191-G1195 WeakPolarHBondContact O-CA 3.38Å; V1191-G1195 PolarHBondContact O-N 2.91Å; V1191-R1226 HydrophobicContact CG1-CG 3.92Å; V1191-R1226 VanDerWaalsContact CG1-NE 3.29Å; V1191-M1227 WeakPolarHBondContact CG1-O 3.45Å; V1191-L1228 HydrophobicContact CB-CB 4.42Å; V1191-L1228 WeakPolarHBondContact CB-O 3.49Å; V1191-L1228 HydrophobicContact CG2-CB 4.05Å; V1191-M1229 HydrophobicContact CB-SD 4.36Å; V1191-M1229 HydrophobicContact CG1-SD 4.47Å; V1191-M1229 WeakPolarHBondContact O-CA 3.39Å; V1191-V1230 PolarHBondContact O-N 2.79Å; V1191-Q1231 HydrophobicContact CG2-CG 3.96Å |
| 1192 | G | 96.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -65.5 | -85.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1194 G1195 V1196 Q1235 | G1192-T1194 VanDerWaalsContact C-N 3.25Å; G1192-T1194 PolarHBondContact O-N 2.83Å; G1192-G1195 PolarHBondContact O-N 3.07Å; G1192-V1196 PolarHBondContact O-N 2.83Å; G1192-V1196 VanDerWaalsContact O-N 3.11Å; G1192-Q1235 VanDerWaalsContact CA-OE1 3.23Å |
| 1193 | R | 98 | Very high | 97.9 | Very high | 24 Ų | 24 | 2.8 Ų | 2.8 | 9% | 0.091 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -59.9 | -31.8 | 177.1 | -53.4 | -177.5 | 175.7 | 147.3 | -3.6 | 113.6 | V1074 T1075 E1079 W1143 P1144 C1187 V1196 V1197 | V1074-R1193 HydrophobicContact CB-CB 4.07Å; V1074-R1193 HydrophobicContact CG1-CB 3.82Å; V1074-R1193 WeakPolarHBondContact O-CD 3.16Å; T1075-R1193 PolarHBondContact OG1-NH1 2.71Å; E1079-R1193 VanDerWaalsContact CD-NH1 3.25Å; E1079-R1193 IonicContact OE1-CZ 3.28Å; E1079-R1193 IonicContact OE1-NH1 3.06Å; E1079-R1193 PolarHBondContact OE1-NH1 3.44Å; E1079-R1193 IonicContact OE1-NH2 2.66Å; E1079-R1193 IonicContact OE2-CZ 3.96Å; E1079-R1193 VanDerWaalsContact OE2-CZ 3.31Å; E1079-R1193 IonicContact OE2-NH1 3.01Å; E1079-R1193 PolarHBondContact OE2-NH1 3.27Å; E1079-R1193 IonicContact OE2-NH2 2.7Å; E1079-R1193 PolarHBondContact OE2-NH2 3.45Å; W1143-R1193 HydrophobicContact CD2-CB 4.45Å; W1143-R1193 HydrophobicContact CD2-CG 3.78Å; W1143-R1193 VanDerWaalsContact CD2-NE 3.34Å; W1143-R1193 HydrophobicContact CE3-CB 4.07Å; W1143-R1193 HydrophobicContact CE3-CG 3.91Å; W1143-R1193 HydrophobicContact CH2-CB 3.9Å; W1143-R1193 HydrophobicContact CH2-CG 3.78Å; W1143-R1193 HydrophobicContact CZ2-CB 4.31Å; W1143-R1193 HydrophobicContact CZ2-CG 3.66Å; W1143-R1193 HydrophobicContact CZ3-CB 3.77Å; W1143-R1193 HydrophobicContact CZ3-CG 3.9Å; P1144-R1193 PolarHBondContact O-NH2 2.95Å; P1144-R1193 VanDerWaalsContact O-NH2 3.17Å; C1187-R1193 HydrophobicContact CB-CB 3.81Å; C1187-R1193 HydrophobicContact CB-CG 4.47Å; R1193-V1196 PolarHBondContact O-N 3.09Å; R1193-V1197 PolarHBondContact O-N 3.45Å; R1193-V1197 VanDerWaalsContact O-N 3.13Å |
| 1194 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | A1047 V1185 H1186 C1187 G1190 G1192 V1196 V1197 I1198 M1229 | A1047-T1194 HydrophobicContact CB-CG2 3.8Å; V1185-T1194 HydrophobicContact CB-CG2 4.06Å; V1185-T1194 HydrophobicContact CG1-CG2 3.91Å; V1185-T1194 WeakPolarHBondContact O-CG2 3.33Å; H1186-T1194 WeakPolarHBondContact CA-OG1 3.29Å; C1187-T1194 PolarHBondContact N-OG1 2.99Å; G1190-T1194 WeakPolarHBondContact CA-OG1 3.35Å; G1190-T1194 WeakPolarHBondContact O-CG2 3.36Å; G1192-T1194 VanDerWaalsContact C-N 3.25Å; G1192-T1194 PolarHBondContact O-N 2.83Å; T1194-V1196 VanDerWaalsContact C-N 3.33Å; T1194-V1197 PolarHBondContact O-N 2.83Å; T1194-I1198 HydrophobicContact CG2-CD1 4.01Å; T1194-I1198 PolarHBondContact O-N 2.81Å; T1194-M1229 HydrophobicContact CG2-SD 4.45Å |
| 1195 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1191 G1192 L1199 | V1191-G1195 VanDerWaalsContact O-CA 3.3Å; V1191-G1195 WeakPolarHBondContact O-CA 3.38Å; V1191-G1195 PolarHBondContact O-N 2.91Å; G1192-G1195 PolarHBondContact O-N 3.07Å; G1195-L1199 WeakPolarHBondContact O-CB 3.33Å; G1195-L1199 PolarHBondContact O-N 3.27Å |
| 1196 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | 173.7 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | W1143 F1155 G1192 R1193 T1194 A1200 V1230 Q1235 F1238 V1239 | W1143-V1196 HydrophobicContact CH2-CB 3.93Å; W1143-V1196 HydrophobicContact CH2-CG1 3.89Å; W1143-V1196 HydrophobicContact CH2-CG2 3.98Å; W1143-V1196 HydrophobicContact CZ3-CB 4.47Å; W1143-V1196 HydrophobicContact CZ3-CG1 4.33Å; F1155-V1196 HydrophobicContact CE1-CG1 4.13Å; F1155-V1196 HydrophobicContact CZ-CG1 3.79Å; G1192-V1196 PolarHBondContact O-N 2.83Å; G1192-V1196 VanDerWaalsContact O-N 3.11Å; R1193-V1196 PolarHBondContact O-N 3.09Å; T1194-V1196 VanDerWaalsContact C-N 3.33Å; V1196-A1200 WeakPolarHBondContact O-CB 3.37Å; V1196-A1200 PolarHBondContact O-N 2.95Å; V1196-V1230 HydrophobicContact CG2-CG1 4.46Å; V1196-V1230 HydrophobicContact CG2-CG2 4.29Å; V1196-Q1235 HydrophobicContact CG2-CB 3.65Å; V1196-Q1235 HydrophobicContact CG2-CG 4.13Å; V1196-F1238 HydrophobicContact CG1-CD1 3.77Å; V1196-F1238 HydrophobicContact CG1-CE1 4.11Å; V1196-V1239 HydrophobicContact CB-CG2 4.23Å; V1196-V1239 HydrophobicContact CG1-CG2 3.8Å; V1196-V1239 HydrophobicContact CG2-CG2 4.22Å |
| 1197 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 3.5 Ų | 3.5 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 177.9 | 166 | 0 | 0 | 0 | 0 | 111.4 | V1074 F1155 Y1158 L1159 I1162 V1185 R1193 T1194 A1200 E1201 | V1074-V1197 HydrophobicContact CB-CG2 4.48Å; V1074-V1197 HydrophobicContact CG1-CG2 3.93Å; V1074-V1197 HydrophobicContact CG2-CB 4.43Å; V1074-V1197 HydrophobicContact CG2-CG2 3.67Å; F1155-V1197 HydrophobicContact CE2-CG2 3.81Å; F1155-V1197 HydrophobicContact CZ-CG2 3.57Å; Y1158-V1197 HydrophobicContact CE1-CG2 4.15Å; L1159-V1197 HydrophobicContact CD2-CB 4.41Å; L1159-V1197 HydrophobicContact CD2-CG1 3.92Å; L1159-V1197 HydrophobicContact CD2-CG2 4.36Å; I1162-V1197 HydrophobicContact CD1-CG1 4.02Å; V1185-V1197 HydrophobicContact CG1-CB 4.07Å; V1185-V1197 HydrophobicContact CG1-CG1 3.89Å; R1193-V1197 PolarHBondContact O-N 3.45Å; R1193-V1197 VanDerWaalsContact O-N 3.13Å; T1194-V1197 PolarHBondContact O-N 2.83Å; V1197-A1200 PolarHBondContact O-N 3.2Å; V1197-E1201 WeakPolarHBondContact O-CB 3.49Å; V1197-E1201 PolarHBondContact O-N 3.45Å |
| 1198 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66 | -44 | -177.6 | -67.9 | 176 | 0 | 0 | 0 | 111.2 | Y1045 A1047 V1185 T1194 L1202 L1222 M1229 | Y1045-I1198 HydrophobicContact CD1-CD1 4.16Å; Y1045-I1198 HydrophobicContact CD1-CG1 3.92Å; Y1045-I1198 HydrophobicContact CD2-CG2 4.13Å; Y1045-I1198 HydrophobicContact CE1-CG1 4.05Å; Y1045-I1198 HydrophobicContact CE2-CG2 3.97Å; Y1045-I1198 HydrophobicContact CG-CD1 4.05Å; Y1045-I1198 HydrophobicContact CG-CG1 4.17Å; A1047-I1198 HydrophobicContact CB-CD1 4.2Å; V1185-I1198 HydrophobicContact CB-CD1 4.05Å; V1185-I1198 HydrophobicContact CB-CG1 4.22Å; V1185-I1198 HydrophobicContact CG1-CG1 4.35Å; V1185-I1198 HydrophobicContact CG2-CD1 4.07Å; V1185-I1198 HydrophobicContact CG2-CG1 3.95Å; T1194-I1198 HydrophobicContact CG2-CD1 4.01Å; T1194-I1198 PolarHBondContact O-N 2.81Å; I1198-L1202 HydrophobicContact CG2-CD1 3.73Å; I1198-L1202 HydrophobicContact CG2-CG 4.47Å; I1198-L1202 WeakPolarHBondContact O-CB 3.31Å; I1198-L1202 WeakPolarHBondContact O-CD1 3.4Å; I1198-L1202 WeakPolarHBondContact O-CG 3.41Å; I1198-L1202 PolarHBondContact O-N 3.08Å; I1198-L1202 VanDerWaalsContact O-N 3.08Å; I1198-L1222 HydrophobicContact CG2-CD1 4.12Å; I1198-L1222 HydrophobicContact CG2-CD2 3.61Å; I1198-M1229 HydrophobicContact CB-CE 4.4Å; I1198-M1229 HydrophobicContact CD1-CE 4.1Å |
| 1199 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | 178.4 | -176.2 | 60.4 | 0 | 0 | 0 | 111.5 | G1195 L1202 M1203 V1215 M1218 L1219 L1222 V1230 Y1236 V1239 | G1195-L1199 WeakPolarHBondContact O-CB 3.33Å; G1195-L1199 PolarHBondContact O-N 3.27Å; L1199-L1202 PolarHBondContact O-N 3Å; L1199-M1203 HydrophobicContact CD1-CG 3.8Å; L1199-M1203 HydrophobicContact CD1-SD 4.28Å; L1199-M1203 HydrophobicContact CG-CG 4.23Å; L1199-M1203 WeakPolarHBondContact O-CB 3.3Å; L1199-M1203 VanDerWaalsContact O-CG 3.25Å; L1199-M1203 WeakPolarHBondContact O-CG 3.45Å; L1199-M1203 PolarHBondContact O-N 2.98Å; L1199-V1215 HydrophobicContact CD2-CG1 4.03Å; L1199-V1215 HydrophobicContact CG-CG1 4.46Å; L1199-M1218 HydrophobicContact CD1-CB 3.69Å; L1199-M1218 HydrophobicContact CD1-CG 3.4Å; L1199-M1218 VanDerWaalsContact CD1-CG 3.4Å; L1199-L1219 HydrophobicContact CD2-CB 4.11Å; L1199-L1219 HydrophobicContact CD2-CD1 4.26Å; L1199-L1222 HydrophobicContact CB-CD1 3.79Å; L1199-L1222 HydrophobicContact CD1-CD1 3.97Å; L1199-L1222 HydrophobicContact CG-CD1 4.42Å; L1199-V1230 HydrophobicContact CD2-CG2 4.16Å; L1199-Y1236 HydrophobicContact CD2-CD2 4.35Å; L1199-Y1236 HydrophobicContact CD2-CE2 4.14Å; L1199-V1239 HydrophobicContact CD2-CG1 4.07Å; L1199-V1239 HydrophobicContact CD2-CG2 4.26Å; L1199-V1239 HydrophobicContact CG-CG1 4.04Å |
| 1200 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F1155 L1159 V1196 V1197 L1202 M1203 I1204 V1242 | F1155-A1200 HydrophobicContact CE1-CB 4.26Å; L1159-A1200 HydrophobicContact CD1-CB 3.75Å; V1196-A1200 WeakPolarHBondContact O-CB 3.37Å; V1196-A1200 PolarHBondContact O-N 2.95Å; V1197-A1200 PolarHBondContact O-N 3.2Å; A1200-L1202 PolarHBondContact O-N 3.4Å; A1200-M1203 PolarHBondContact O-N 2.86Å; A1200-I1204 VanDerWaalsContact O-CB 3.3Å; A1200-I1204 WeakPolarHBondContact O-CB 3.45Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.49Å; A1200-I1204 PolarHBondContact O-N 3.06Å; A1200-V1242 HydrophobicContact CB-CG1 4.1Å |
| 1201 | E | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 179.5 | -165 | 175.1 | -170.7 | 0 | 0 | 112.1 | W1043 Y1045 Q1163 R1166 V1197 S1205 | W1043-E1201 HydrophobicContact CZ3-CG 3.95Å; Y1045-E1201 WeakPolarHBondContact CE1-OE2 3.04Å; Y1045-E1201 PolarHBondContact OH-OE2 2.85Å; Q1163-E1201 HydrophobicContact CG-CG 4.34Å; Q1163-E1201 WeakPolarHBondContact CG-OE1 3.41Å; R1166-E1201 IonicContact CZ-OE1 2.61Å; R1166-E1201 IonicContact CZ-OE2 2.63Å; R1166-E1201 IonicContact NE-OE1 3.67Å; R1166-E1201 IonicContact NH2-OE1 2.75Å; R1166-E1201 PolarHBondContact NH2-OE1 3.19Å; R1166-E1201 IonicContact NH2-OE2 2.99Å; R1166-E1201 PolarHBondContact NH2-OE2 3.41Å; V1197-E1201 WeakPolarHBondContact O-CB 3.49Å; V1197-E1201 PolarHBondContact O-N 3.45Å; E1201-S1205 PolarHBondContact O-N 3.07Å; E1201-S1205 VanDerWaalsContact O-N 3.12Å |
| 1202 | L | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -68 | -47 | 174.3 | -70.4 | 168.4 | 0 | 0 | 0 | 112.5 | V1036 I1038 W1043 Y1045 I1198 L1199 A1200 I1204 S1205 C1206 M1218 L1222 | V1036-L1202 HydrophobicContact CB-CD1 4.21Å; V1036-L1202 HydrophobicContact CB-CD2 4.02Å; V1036-L1202 HydrophobicContact CG1-CD1 4.37Å; V1036-L1202 HydrophobicContact CG1-CD2 4.09Å; V1036-L1202 HydrophobicContact CG2-CD1 3.84Å; I1038-L1202 HydrophobicContact CD1-CB 4.22Å; I1038-L1202 HydrophobicContact CD1-CD2 3.65Å; W1043-L1202 HydrophobicContact CB-CD2 3.65Å; W1043-L1202 HydrophobicContact CD2-CD2 4Å; W1043-L1202 HydrophobicContact CE3-CD2 4.34Å; W1043-L1202 HydrophobicContact CG-CD2 3.7Å; Y1045-L1202 HydrophobicContact CE2-CD1 4.44Å; Y1045-L1202 HydrophobicContact CE2-CD2 4.18Å; Y1045-L1202 HydrophobicContact CE2-CG 4.3Å; I1198-L1202 HydrophobicContact CG2-CD1 3.73Å; I1198-L1202 HydrophobicContact CG2-CG 4.47Å; I1198-L1202 WeakPolarHBondContact O-CB 3.31Å; I1198-L1202 WeakPolarHBondContact O-CD1 3.4Å; I1198-L1202 WeakPolarHBondContact O-CG 3.41Å; I1198-L1202 PolarHBondContact O-N 3.08Å; I1198-L1202 VanDerWaalsContact O-N 3.08Å; L1199-L1202 PolarHBondContact O-N 3Å; A1200-L1202 PolarHBondContact O-N 3.4Å; L1202-I1204 VanDerWaalsContact C-N 3.34Å; L1202-I1204 PolarHBondContact O-N 3.09Å; L1202-S1205 WeakPolarHBondContact O-CB 3.44Å; L1202-S1205 PolarHBondContact O-N 3.05Å; L1202-S1205 VanDerWaalsContact O-N 3.11Å; L1202-C1206 PolarHBondContact O-N 2.85Å; L1202-C1206 PolarHBondContact O-SG 3.17Å; L1202-M1218 HydrophobicContact CB-CG 4.41Å; L1202-M1218 HydrophobicContact CB-SD 4.32Å; L1202-M1218 HydrophobicContact CD1-CG 4.44Å; L1202-M1218 HydrophobicContact CD1-SD 3.89Å; L1202-L1222 HydrophobicContact CD1-CD2 3.99Å |
| 1203 | M | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.9 | -30.5 | -179.5 | -65.1 | -47.1 | -57.7 | 0 | 0 | 112.6 | L1199 A1200 C1206 L1207 V1213 V1215 M1218 L1243 | L1199-M1203 HydrophobicContact CD1-CG 3.8Å; L1199-M1203 HydrophobicContact CD1-SD 4.28Å; L1199-M1203 HydrophobicContact CG-CG 4.23Å; L1199-M1203 WeakPolarHBondContact O-CB 3.3Å; L1199-M1203 VanDerWaalsContact O-CG 3.25Å; L1199-M1203 WeakPolarHBondContact O-CG 3.45Å; L1199-M1203 PolarHBondContact O-N 2.98Å; A1200-M1203 PolarHBondContact O-N 2.86Å; M1203-C1206 HydrophobicContact CE-CB 4.44Å; M1203-C1206 PolarHBondContact O-N 2.83Å; M1203-L1207 WeakPolarHBondContact O-CG 3.27Å; M1203-L1207 PolarHBondContact O-N 2.87Å; M1203-V1213 VanDerWaalsContact CE-C 3.47Å; M1203-V1213 HydrophobicContact CE-CB 4.12Å; M1203-V1213 HydrophobicContact CE-CG1 3.52Å; M1203-V1215 HydrophobicContact CE-CG2 4.15Å; M1203-V1215 HydrophobicContact CG-CG2 4.48Å; M1203-M1218 HydrophobicContact CG-CG 4.5Å; M1203-M1218 HydrophobicContact SD-CB 3.46Å; M1203-M1218 WeakPolarHBondContact SD-CB 3.31Å; M1203-M1218 HydrophobicContact SD-CE 4.46Å; M1203-M1218 HydrophobicContact SD-CG 3.65Å; M1203-L1243 HydrophobicContact CB-CD1 3.72Å; M1203-L1243 HydrophobicContact CB-CD2 3.54Å; M1203-L1243 HydrophobicContact CB-CG 4.26Å; M1203-L1243 HydrophobicContact CG-CD1 4.27Å |
| 1204 | I | 95.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 167.2 | -74.9 | 170.2 | 0 | 0 | 0 | 109.8 | L1156 L1159 A1200 L1202 C1206 L1207 E1208 V1242 L1243 F1246 | L1156-I1204 HydrophobicContact CD2-CD1 3.81Å; L1159-I1204 HydrophobicContact CD1-CD1 3.74Å; A1200-I1204 VanDerWaalsContact O-CB 3.3Å; A1200-I1204 WeakPolarHBondContact O-CB 3.45Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.49Å; A1200-I1204 PolarHBondContact O-N 3.06Å; L1202-I1204 VanDerWaalsContact C-N 3.34Å; L1202-I1204 PolarHBondContact O-N 3.09Å; I1204-C1206 VanDerWaalsContact C-N 3.28Å; I1204-C1206 PolarHBondContact O-N 3.44Å; I1204-L1207 WeakPolarHBondContact O-CA 3.37Å; I1204-L1207 WeakPolarHBondContact O-CB 3.39Å; I1204-L1207 PolarHBondContact O-N 2.87Å; I1204-E1208 HydrophobicContact CG2-CG 4.18Å; I1204-E1208 WeakPolarHBondContact O-CG 3.18Å; I1204-E1208 PolarHBondContact O-N 2.9Å; I1204-V1242 HydrophobicContact CD1-CG1 4.29Å; I1204-L1243 HydrophobicContact CG1-CD2 3.81Å; I1204-F1246 HydrophobicContact CD1-CD2 4.21Å; I1204-F1246 HydrophobicContact CD1-CG 4.35Å; I1204-F1246 HydrophobicContact CG1-CB 4.32Å; I1204-F1246 HydrophobicContact CG1-CD1 4.31Å; I1204-F1246 HydrophobicContact CG1-CD2 4.21Å; I1204-F1246 HydrophobicContact CG1-CG 4Å; I1204-F1246 HydrophobicContact CG2-CD1 4.33Å; I1204-F1246 HydrophobicContact CG2-CD2 4.01Å; I1204-F1246 HydrophobicContact CG2-CE1 4.03Å; I1204-F1246 HydrophobicContact CG2-CE2 3.69Å; I1204-F1246 HydrophobicContact CG2-CG 4.33Å; I1204-F1246 HydrophobicContact CG2-CZ 3.71Å |
| 1205 | S | 93.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.1 | -32.8 | 177.4 | -161.2 | 0 | 0 | 0 | 0 | 113.2 | W1043 E1201 L1202 H1209 | W1043-S1205 VanDerWaalsContact CZ2-OG 3.28Å; W1043-S1205 WeakPolarHBondContact CZ2-OG 3.33Å; E1201-S1205 PolarHBondContact O-N 3.07Å; E1201-S1205 VanDerWaalsContact O-N 3.12Å; L1202-S1205 WeakPolarHBondContact O-CB 3.44Å; L1202-S1205 PolarHBondContact O-N 3.05Å; L1202-S1205 VanDerWaalsContact O-N 3.11Å; S1205-H1209 PolarHBondContact O-N 3.19Å; S1205-H1209 PolarHBondContact O-ND1 3.28Å; S1205-H1209 PolarHBondContact OG-ND1 3.44Å |
| 1206 | C | 93.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.054 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 169.6 | -65.6 | 0 | 0 | 0 | 0 | 112 | L1202 M1203 I1204 H1209 N1210 E1211 | L1202-C1206 PolarHBondContact O-N 2.85Å; L1202-C1206 PolarHBondContact O-SG 3.17Å; M1203-C1206 HydrophobicContact CE-CB 4.44Å; M1203-C1206 PolarHBondContact O-N 2.83Å; I1204-C1206 VanDerWaalsContact C-N 3.28Å; I1204-C1206 PolarHBondContact O-N 3.44Å; C1206-H1209 PolarHBondContact O-N 2.89Å; C1206-N1210 PolarHBondContact O-N 3.26Å; C1206-E1211 HydrophobicContact CB-CB 4.15Å; C1206-E1211 PolarHBondContact O-N 3.18Å |
| 1207 | L | 92 | Very high | 93.7 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 177.8 | -73.7 | 166.6 | 0 | 0 | 0 | 112.4 | R962 M1203 I1204 H1209 N1210 V1213 L1243 F1246 L1247 | R962-L1207 PolarHBondContact NH1-O 2.79Å; M1203-L1207 WeakPolarHBondContact O-CG 3.27Å; M1203-L1207 PolarHBondContact O-N 2.87Å; I1204-L1207 WeakPolarHBondContact O-CA 3.37Å; I1204-L1207 WeakPolarHBondContact O-CB 3.39Å; I1204-L1207 PolarHBondContact O-N 2.87Å; L1207-H1209 PolarHBondContact O-N 2.82Å; L1207-N1210 PolarHBondContact O-N 2.86Å; L1207-N1210 PolarHBondContact O-OD1 3.36Å; L1207-V1213 HydrophobicContact CD2-CG1 4.11Å; L1207-V1213 HydrophobicContact CD2-CG2 3.59Å; L1207-V1213 HydrophobicContact CG-CG1 4.23Å; L1207-V1213 HydrophobicContact CG-CG2 4.11Å; L1207-L1243 HydrophobicContact CD1-CB 4.09Å; L1207-L1243 HydrophobicContact CD1-CD2 3.58Å; L1207-L1243 HydrophobicContact CD1-CG 4.38Å; L1207-F1246 HydrophobicContact CB-CD1 4.32Å; L1207-F1246 HydrophobicContact CB-CE1 4.15Å; L1207-F1246 HydrophobicContact CD1-CD1 4.04Å; L1207-L1247 HydrophobicContact CD1-CG 4.29Å; L1207-L1247 HydrophobicContact CD2-CD1 3.96Å; L1207-L1247 HydrophobicContact CD2-CD2 4.03Å; L1207-L1247 HydrophobicContact CD2-CG 4.12Å |
| 1208 | E | 90.6 | Very high | 93.6 | Very high | 89 Ų | 89 | 33.9 Ų | 33.9 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55 | -36.5 | 178.2 | -74.5 | 177.6 | 138.5 | 0 | 0 | 112.6 | I1204 F1246 | I1204-E1208 HydrophobicContact CG2-CG 4.18Å; I1204-E1208 WeakPolarHBondContact O-CG 3.18Å; I1204-E1208 PolarHBondContact O-N 2.9Å; E1208-F1246 HydrophobicContact CG-CE1 4.03Å; E1208-F1246 HydrophobicContact CG-CZ 3.59Å |
| 1209 | H | 88.3 | Confident | 93.6 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -100.1 | -0.4 | -176.9 | -64.3 | 107.2 | 0 | 0 | 0 | 114.9 | R1039 S1205 C1206 L1207 E1211 | R1039-H1209 PolarHBondContact NH1-CD2 3.32Å; S1205-H1209 PolarHBondContact O-N 3.19Å; S1205-H1209 PolarHBondContact O-ND1 3.28Å; S1205-H1209 PolarHBondContact OG-ND1 3.44Å; C1206-H1209 PolarHBondContact O-N 2.89Å; L1207-H1209 PolarHBondContact O-N 2.82Å; H1209-E1211 HydrophobicContact CB-CG 4.25Å |
| 1210 | N | 87.9 | Confident | 93.6 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 59% | 0.594 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 36.3 | -175.9 | -50.4 | -61.4 | 0 | 0 | 0 | 114.6 | R962 C1206 L1207 | R962-N1210 PolarHBondContact NH1-OD1 2.88Å; R962-N1210 PolarHBondContact NH2-OD1 2.9Å; C1206-N1210 PolarHBondContact O-N 3.26Å; L1207-N1210 PolarHBondContact O-N 2.86Å; L1207-N1210 PolarHBondContact O-OD1 3.36Å |
| 1211 | E | 89.9 | Confident | 93.5 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | trans | -83.3 | 157.1 | 169.6 | -63.2 | -60.7 | 145.1 | 0 | 0 | 111 | R1039 C1206 H1209 V1213 | R1039-E1211 VanDerWaalsContact CD-OE1 3.29Å; R1039-E1211 WeakPolarHBondContact CD-OE1 3.44Å; R1039-E1211 HydrophobicContact CG-CG 3.57Å; R1039-E1211 WeakPolarHBondContact CG-OE1 3.35Å; R1039-E1211 IonicContact CZ-OE1 3.91Å; R1039-E1211 IonicContact NE-OE1 2.64Å; R1039-E1211 PolarHBondContact NE-OE1 2.81Å; R1039-E1211 IonicContact NH2-OE1 2.96Å; C1206-E1211 HydrophobicContact CB-CB 4.15Å; C1206-E1211 PolarHBondContact O-N 3.18Å; H1209-E1211 HydrophobicContact CB-CG 4.25Å; E1211-V1213 WeakPolarHBondContact O-CG2 3.23Å; E1211-V1213 PolarHBondContact O-N 2.91Å | ||
| 1212 | P | 86.1 | Confident | 93.5 | Very high | 102 Ų | 102 | 38.9 Ų | 38.9 | 66% | 0.662 | 21% | 0.208 | S | C | * | . | trans | -61.9 | 126.6 | -176.9 | 23.4 | -34.2 | 0 | 0 | 0 | 113.1 | E1214 | P1212-E1214 VanDerWaalsContact C-N 3.34Å; P1212-E1214 PolarHBondContact O-N 3.11Å; P1212-E1214 VanDerWaalsContact O-N 3.11Å | ||
| 1213 | V | 86.4 | Confident | 93.6 | Very high | 24 Ų | 24 | 39 Ų | 39 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | trans | -92.5 | 57.5 | -167.1 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | L966 M1203 L1207 E1211 V1215 | L966-V1213 HydrophobicContact CD2-CG1 4.48Å; M1203-V1213 VanDerWaalsContact CE-C 3.47Å; M1203-V1213 HydrophobicContact CE-CB 4.12Å; M1203-V1213 HydrophobicContact CE-CG1 3.52Å; L1207-V1213 HydrophobicContact CD2-CG1 4.11Å; L1207-V1213 HydrophobicContact CD2-CG2 3.59Å; L1207-V1213 HydrophobicContact CG-CG1 4.23Å; L1207-V1213 HydrophobicContact CG-CG2 4.11Å; E1211-V1213 WeakPolarHBondContact O-CG2 3.23Å; E1211-V1213 PolarHBondContact O-N 2.91Å; V1213-V1215 PolarHBondContact O-N 2.87Å; V1213-V1215 VanDerWaalsContact O-N 3.15Å | ||
| 1214 | E | 90.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 45% | 0.453 | 23% | 0.227 | S | C | . | . | trans | -88.1 | 79.5 | 178.9 | -67.7 | -58.1 | 160.9 | 0 | 0 | 112.7 | K969 P1212 P1216 T1217 M1218 | K969-E1214 IonicContact NZ-OE2 2.98Å; P1212-E1214 VanDerWaalsContact C-N 3.34Å; P1212-E1214 PolarHBondContact O-N 3.11Å; P1212-E1214 VanDerWaalsContact O-N 3.11Å; E1214-P1216 VanDerWaalsContact C-CD 3.41Å; E1214-P1216 VanDerWaalsContact C-N 3.35Å; E1214-T1217 WeakPolarHBondContact O-CB 3.35Å; E1214-T1217 PolarHBondContact O-N 2.8Å; E1214-M1218 PolarHBondContact O-N 3.14Å | ||
| 1215 | V | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -45.5 | -45 | 175.2 | -166.1 | 0 | 0 | 0 | 0 | 114.1 | L1199 M1203 V1213 L1219 Y1236 V1239 Y1240 L1243 | L1199-V1215 HydrophobicContact CD2-CG1 4.03Å; L1199-V1215 HydrophobicContact CG-CG1 4.46Å; M1203-V1215 HydrophobicContact CE-CG2 4.15Å; M1203-V1215 HydrophobicContact CG-CG2 4.48Å; V1213-V1215 PolarHBondContact O-N 2.87Å; V1213-V1215 VanDerWaalsContact O-N 3.15Å; V1215-L1219 WeakPolarHBondContact O-CB 3.43Å; V1215-L1219 PolarHBondContact O-N 3.49Å; V1215-Y1236 HydrophobicContact CG1-CE2 3.71Å; V1215-V1239 HydrophobicContact CG1-CG1 4.24Å; V1215-Y1240 HydrophobicContact CB-CE2 4.06Å; V1215-Y1240 HydrophobicContact CG1-CE2 3.97Å; V1215-Y1240 HydrophobicContact CG2-CE1 4.28Å; V1215-Y1240 HydrophobicContact CG2-CE2 4.2Å; V1215-L1243 HydrophobicContact CG2-CD1 3.95Å |
| 1216 | P | 96.2 | Very high | 93.9 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -32 | 179.9 | 26.6 | -34.6 | 0 | 0 | 0 | 113.4 | E978 V982 E1214 L1219 S1220 Y1236 | E978-P1216 HydrophobicContact CG-CB 3.65Å; E978-P1216 HydrophobicContact CG-CG 3.75Å; V982-P1216 HydrophobicContact CG2-CB 3.87Å; E1214-P1216 VanDerWaalsContact C-CD 3.41Å; E1214-P1216 VanDerWaalsContact C-N 3.35Å; P1216-L1219 PolarHBondContact O-N 2.94Å; P1216-S1220 WeakPolarHBondContact O-CB 2.83Å; P1216-S1220 PolarHBondContact O-N 3.15Å; P1216-Y1236 WeakPolarHBondContact CA-OH 3.4Å |
| 1217 | T | 96.4 | Very high | 94.1 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.1 | -45.8 | 176.6 | -56.9 | 0 | 0 | 0 | 0 | 110 | E1214 S1220 E1221 | E1214-T1217 WeakPolarHBondContact O-CB 3.35Å; E1214-T1217 PolarHBondContact O-N 2.8Å; T1217-S1220 WeakPolarHBondContact O-CB 3.43Å; T1217-S1220 PolarHBondContact O-N 2.59Å; T1217-E1221 PolarHBondContact O-N 2.98Å |
| 1218 | M | 97.7 | Very high | 94.3 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.6 | -172.9 | 61.1 | 65.9 | 0 | 0 | 111.8 | V1036 L1199 L1202 M1203 E1214 S1220 E1221 L1222 | V1036-M1218 HydrophobicContact CG1-CE 3.86Å; V1036-M1218 HydrophobicContact CG1-SD 3.76Å; V1036-M1218 HydrophobicContact CG2-SD 4.38Å; L1199-M1218 HydrophobicContact CD1-CB 3.69Å; L1199-M1218 HydrophobicContact CD1-CG 3.4Å; L1199-M1218 VanDerWaalsContact CD1-CG 3.4Å; L1202-M1218 HydrophobicContact CB-CG 4.41Å; L1202-M1218 HydrophobicContact CB-SD 4.32Å; L1202-M1218 HydrophobicContact CD1-CG 4.44Å; L1202-M1218 HydrophobicContact CD1-SD 3.89Å; M1203-M1218 HydrophobicContact CG-CG 4.5Å; M1203-M1218 HydrophobicContact SD-CB 3.46Å; M1203-M1218 WeakPolarHBondContact SD-CB 3.31Å; M1203-M1218 HydrophobicContact SD-CE 4.46Å; M1203-M1218 HydrophobicContact SD-CG 3.65Å; E1214-M1218 PolarHBondContact O-N 3.14Å; M1218-S1220 VanDerWaalsContact C-N 3.29Å; M1218-S1220 PolarHBondContact O-N 2.84Å; M1218-E1221 PolarHBondContact O-N 2.87Å; M1218-L1222 WeakPolarHBondContact O-CG 3.07Å; M1218-L1222 PolarHBondContact O-N 3.36Å |
| 1219 | L | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 173.1 | 178.8 | 60 | 0 | 0 | 0 | 112 | Y979 V982 L1199 V1215 P1216 L1222 R1223 M1229 V1230 Y1236 | Y979-L1219 HydrophobicContact CD2-CD2 4.25Å; Y979-L1219 HydrophobicContact CE2-CD2 4.45Å; V982-L1219 HydrophobicContact CB-CD2 4.45Å; V982-L1219 HydrophobicContact CG1-CD2 4.38Å; V982-L1219 HydrophobicContact CG1-CG 4.15Å; V982-L1219 HydrophobicContact CG2-CD2 4.45Å; L1199-L1219 HydrophobicContact CD2-CB 4.11Å; L1199-L1219 HydrophobicContact CD2-CD1 4.26Å; V1215-L1219 WeakPolarHBondContact O-CB 3.43Å; V1215-L1219 PolarHBondContact O-N 3.49Å; P1216-L1219 PolarHBondContact O-N 2.94Å; L1219-L1222 PolarHBondContact O-N 3.37Å; L1219-R1223 HydrophobicContact CD1-CG 4.3Å; L1219-R1223 WeakPolarHBondContact O-CB 2.98Å; L1219-R1223 WeakPolarHBondContact O-CG 3.32Å; L1219-R1223 PolarHBondContact O-N 3.32Å; L1219-M1229 WeakPolarHBondContact CD1-O 3.33Å; L1219-V1230 HydrophobicContact CD1-CB 3.89Å; L1219-V1230 HydrophobicContact CD1-CG2 3.77Å; L1219-Y1236 HydrophobicContact CB-CE2 4.27Å; L1219-Y1236 HydrophobicContact CD2-CD2 3.7Å; L1219-Y1236 HydrophobicContact CD2-CE2 3.44Å; L1219-Y1236 VanDerWaalsContact CD2-CE2 3.44Å; L1219-Y1236 HydrophobicContact CG-CE2 4.42Å |
| 1220 | S | 97.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.9 | -168.4 | 0 | 0 | 0 | 0 | 111.2 | P1216 T1217 M1218 L1222 R1223 H1224 | P1216-S1220 WeakPolarHBondContact O-CB 2.83Å; P1216-S1220 PolarHBondContact O-N 3.15Å; T1217-S1220 WeakPolarHBondContact O-CB 3.43Å; T1217-S1220 PolarHBondContact O-N 2.59Å; M1218-S1220 VanDerWaalsContact C-N 3.29Å; M1218-S1220 PolarHBondContact O-N 2.84Å; S1220-L1222 PolarHBondContact O-N 3.24Å; S1220-R1223 CarbonylContact O-C 3.58Å; S1220-R1223 PolarHBondContact O-N 2.93Å; S1220-R1223 VanDerWaalsContact O-N 3.09Å; S1220-H1224 PolarHBondContact O-N 2.85Å; S1220-H1224 PolarHBondContact O-ND1 2.93Å; S1220-H1224 PolarHBondContact OG-CE1 2.85Å |
| 1221 | E | 96.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 37.6 Ų | 37.6 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.1 | -46 | 175.8 | -172.5 | 179 | 160.7 | 0 | 0 | 111.7 | T1217 M1218 R1223 H1224 Q1225 | T1217-E1221 PolarHBondContact O-N 2.98Å; M1218-E1221 PolarHBondContact O-N 2.87Å; E1221-R1223 VanDerWaalsContact C-N 3.31Å; E1221-R1223 PolarHBondContact O-N 2.92Å; E1221-H1224 PolarHBondContact O-N 2.89Å; E1221-Q1225 PolarHBondContact O-N 2.59Å |
| 1222 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 174.2 | -66.6 | 177 | 0 | 0 | 0 | 112.1 | I1034 V1036 I1198 L1199 L1202 M1218 L1219 S1220 Q1225 R1226 M1229 | I1034-L1222 HydrophobicContact CG2-CD2 3.54Å; V1036-L1222 HydrophobicContact CG2-CD2 4.29Å; I1198-L1222 HydrophobicContact CG2-CD1 4.12Å; I1198-L1222 HydrophobicContact CG2-CD2 3.61Å; L1199-L1222 HydrophobicContact CB-CD1 3.79Å; L1199-L1222 HydrophobicContact CD1-CD1 3.97Å; L1199-L1222 HydrophobicContact CG-CD1 4.42Å; L1202-L1222 HydrophobicContact CD1-CD2 3.99Å; M1218-L1222 WeakPolarHBondContact O-CG 3.07Å; M1218-L1222 PolarHBondContact O-N 3.36Å; L1219-L1222 PolarHBondContact O-N 3.37Å; S1220-L1222 PolarHBondContact O-N 3.24Å; L1222-Q1225 PolarHBondContact O-N 2.81Å; L1222-R1226 PolarHBondContact O-N 2.91Å; L1222-M1229 HydrophobicContact CB-CB 4.3Å; L1222-M1229 HydrophobicContact CB-CE 4.31Å; L1222-M1229 HydrophobicContact CB-CG 4.45Å; L1222-M1229 HydrophobicContact CD1-CE 4.44Å; L1222-M1229 HydrophobicContact CD2-CE 4.39Å |
| 1223 | R | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.2 | -23.1 | 178 | -73.3 | -173.5 | -177.7 | 167.1 | 0 | 114.4 | Y979 V982 P983 Y1011 L1219 S1220 E1221 Q1225 R1226 M1229 V1230 | Y979-R1223 PolarHBondContact OH-NH2 3.45Å; V982-R1223 PolarHBondContact O-NH1 3.31Å; P983-R1223 WeakPolarHBondContact O-CD 3.47Å; P983-R1223 PolarHBondContact O-NH1 3.49Å; Y1011-R1223 PolarHBondContact OH-O 3.29Å; L1219-R1223 HydrophobicContact CD1-CG 4.3Å; L1219-R1223 WeakPolarHBondContact O-CB 2.98Å; L1219-R1223 WeakPolarHBondContact O-CG 3.32Å; L1219-R1223 PolarHBondContact O-N 3.32Å; S1220-R1223 CarbonylContact O-C 3.58Å; S1220-R1223 PolarHBondContact O-N 2.93Å; S1220-R1223 VanDerWaalsContact O-N 3.09Å; E1221-R1223 VanDerWaalsContact C-N 3.31Å; E1221-R1223 PolarHBondContact O-N 2.92Å; R1223-Q1225 VanDerWaalsContact C-N 3.26Å; R1223-R1226 WeakPolarHBondContact CA-O 3.29Å; R1223-M1229 HydrophobicContact CG-CB 3.98Å; R1223-M1229 PolarHBondContact NE-O 3.27Å; R1223-M1229 PolarHBondContact NH2-O 3.47Å; R1223-V1230 PolarHBondContact NH2-O 2.75Å |
| 1224 | H | 96.7 | Very high | 96.5 | Very high | 84 Ų | 84 | 36 Ų | 36 | 39% | 0.389 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.5 | -21.1 | 169.1 | -78 | 78.2 | 0 | 0 | 0 | 112.9 | R986 Y1011 S1220 E1221 | R986-H1224 PolarHBondContact NH1-O 2.95Å; Y1011-H1224 VanDerWaalsContact CE2-O 3.24Å; Y1011-H1224 WeakPolarHBondContact CE2-O 3.05Å; S1220-H1224 PolarHBondContact O-N 2.85Å; S1220-H1224 PolarHBondContact O-ND1 2.93Å; S1220-H1224 PolarHBondContact OG-CE1 2.85Å; E1221-H1224 PolarHBondContact O-N 2.89Å |
| 1225 | Q | 97.7 | Very high | 96.8 | Very high | 35 Ų | 35 | 32.2 Ų | 32.2 | 16% | 0.164 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -102.1 | -30.2 | 177.2 | -62.2 | -174.5 | 57.8 | 0 | 0 | 113.6 | Y1011 N1014 I1034 K1035 E1221 L1222 R1223 | Y1011-Q1225 WeakPolarHBondContact CD2-O 3.38Å; N1014-Q1225 PolarHBondContact ND2-O 2.95Å; N1014-Q1225 PolarHBondContact OD1-O 3.24Å; I1034-Q1225 HydrophobicContact CD1-CB 3.76Å; K1035-Q1225 PolarHBondContact O-NE2 3.29Å; K1035-Q1225 PolarHBondContact O-OE1 2.95Å; E1221-Q1225 PolarHBondContact O-N 2.59Å; L1222-Q1225 PolarHBondContact O-N 2.81Å; R1223-Q1225 VanDerWaalsContact C-N 3.26Å |
| 1226 | R | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -148.1 | 126.3 | 169.1 | -173.7 | 174.1 | 176.3 | 76.7 | 4.2 | 110.6 | N1030 S1032 I1034 A1189 G1190 V1191 L1222 R1223 M1229 | N1030-R1226 PolarHBondContact OD1-NH1 3.34Å; N1030-R1226 PolarHBondContact OD1-NH2 3.02Å; S1032-R1226 WeakPolarHBondContact OG-CD 3.36Å; S1032-R1226 WeakPolarHBondContact OG-CG 3.46Å; S1032-R1226 PolarHBondContact OG-NH1 3.3Å; I1034-R1226 HydrophobicContact CD1-CB 3.8Å; A1189-R1226 PolarHBondContact O-NH2 2.85Å; A1189-R1226 VanDerWaalsContact O-NH2 3.15Å; G1190-R1226 PolarHBondContact O-NE 2.81Å; V1191-R1226 HydrophobicContact CG1-CG 3.92Å; V1191-R1226 VanDerWaalsContact CG1-NE 3.29Å; L1222-R1226 PolarHBondContact O-N 2.91Å; R1223-R1226 WeakPolarHBondContact CA-O 3.29Å; R1226-M1229 HydrophobicContact CB-CG 4.05Å; R1226-M1229 HydrophobicContact CB-SD 4.4Å; R1226-M1229 WeakPolarHBondContact O-CG 3.23Å |
| 1227 | M | 97.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 151.7 | 179.4 | 60.7 | -177.9 | 67.5 | 0 | 0 | 113 | K985 I991 D1007 V1009 Y1011 V1191 M1229 | K985-M1227 HydrophobicContact CB-CB 3.8Å; I991-M1227 HydrophobicContact CG2-CE 4.22Å; D1007-M1227 VanDerWaalsContact O-SD 3.35Å; V1009-M1227 HydrophobicContact CG2-CE 3.57Å; V1009-M1227 HydrophobicContact CG2-SD 4.04Å; V1009-M1227 PolarHBondContact N-SD 3.28Å; V1009-M1227 WeakPolarHBondContact O-CE 3.5Å; Y1011-M1227 HydrophobicContact CD1-CE 4.02Å; Y1011-M1227 HydrophobicContact CE1-CB 4.19Å; Y1011-M1227 HydrophobicContact CE1-CE 3.65Å; Y1011-M1227 WeakPolarHBondContact OH-CA 3.5Å; Y1011-M1227 PolarHBondContact OH-N 2.93Å; V1191-M1227 WeakPolarHBondContact CG1-O 3.45Å; M1227-M1229 PolarHBondContact O-N 2.98Å |
| 1228 | L | 97.3 | Very high | 96.8 | Very high | 44 Ų | 44 | 29.7 Ų | 29.7 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 17.4 | 169.1 | -59 | 167 | 0 | 0 | 0 | 116.1 | K984 V1008 V1191 V1230 Q1231 | K984-L1228 HydrophobicContact CB-CD2 3.98Å; K984-L1228 HydrophobicContact CG-CD2 4.43Å; K984-L1228 PolarHBondContact O-N 3.05Å; V1008-L1228 HydrophobicContact CG2-CD1 4.06Å; V1191-L1228 HydrophobicContact CB-CB 4.42Å; V1191-L1228 WeakPolarHBondContact CB-O 3.49Å; V1191-L1228 HydrophobicContact CG2-CB 4.05Å; L1228-V1230 PolarHBondContact O-N 2.99Å; L1228-Q1231 WeakPolarHBondContact O-CG 3.4Å |
| 1229 | M | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -54.9 | 130 | 170.7 | -70.8 | -75.5 | -84.5 | 0 | 0 | 109.7 | V1191 T1194 I1198 L1219 L1222 R1223 R1226 M1227 | V1191-M1229 HydrophobicContact CB-SD 4.36Å; V1191-M1229 HydrophobicContact CG1-SD 4.47Å; V1191-M1229 WeakPolarHBondContact O-CA 3.39Å; T1194-M1229 HydrophobicContact CG2-SD 4.45Å; I1198-M1229 HydrophobicContact CB-CE 4.4Å; I1198-M1229 HydrophobicContact CD1-CE 4.1Å; L1219-M1229 WeakPolarHBondContact CD1-O 3.33Å; L1222-M1229 HydrophobicContact CB-CB 4.3Å; L1222-M1229 HydrophobicContact CB-CE 4.31Å; L1222-M1229 HydrophobicContact CB-CG 4.45Å; L1222-M1229 HydrophobicContact CD1-CE 4.44Å; L1222-M1229 HydrophobicContact CD2-CE 4.39Å; R1223-M1229 HydrophobicContact CG-CB 3.98Å; R1223-M1229 PolarHBondContact NE-O 3.27Å; R1223-M1229 PolarHBondContact NH2-O 3.47Å; R1226-M1229 HydrophobicContact CB-CG 4.05Å; R1226-M1229 HydrophobicContact CB-SD 4.4Å; R1226-M1229 WeakPolarHBondContact O-CG 3.23Å; M1227-M1229 PolarHBondContact O-N 2.98Å |
| 1230 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 54.2 | 103.1 | -165.1 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | Y979 V1191 V1196 L1199 L1219 R1223 L1228 Q1235 Y1236 | Y979-V1230 HydrophobicContact CE2-CG1 4.13Å; Y979-V1230 PolarHBondContact OH-O 3.42Å; V1191-V1230 PolarHBondContact O-N 2.79Å; V1196-V1230 HydrophobicContact CG2-CG1 4.46Å; V1196-V1230 HydrophobicContact CG2-CG2 4.29Å; L1199-V1230 HydrophobicContact CD2-CG2 4.16Å; L1219-V1230 HydrophobicContact CD1-CB 3.89Å; L1219-V1230 HydrophobicContact CD1-CG2 3.77Å; R1223-V1230 PolarHBondContact NH2-O 2.75Å; L1228-V1230 PolarHBondContact O-N 2.99Å; V1230-Q1235 HydrophobicContact CG1-CB 3.74Å; V1230-Y1236 HydrophobicContact CG1-CD2 4.24Å |
| 1231 | Q | 95 | Very high | 96.5 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 41% | 0.407 | 16% | 0.158 | S | C | . | . | trans | -91.1 | -21.6 | -168.1 | -81 | -175.6 | -34 | 0 | 0 | 115.2 | Y979 V1191 L1228 | Y979-Q1231 PolarHBondContact OH-O 3.5Å; V1191-Q1231 HydrophobicContact CG2-CG 3.96Å; L1228-Q1231 WeakPolarHBondContact O-CG 3.4Å | ||
| 1232 | T | 95.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 27.9 Ų | 27.9 | 34% | 0.344 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -133.2 | 154.6 | -175.9 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | Y979 S1234 Q1235 Y1236 | Y979-T1232 PolarHBondContact OH-N 2.92Å; T1232-S1234 PolarHBondContact O-N 2.95Å; T1232-Q1235 WeakPolarHBondContact O-CB 3.37Å; T1232-Q1235 PolarHBondContact O-N 3.07Å; T1232-Q1235 VanDerWaalsContact O-N 3.09Å; T1232-Q1235 WeakPolarHBondContact OG1-CG 3.29Å; T1232-Q1235 PolarHBondContact OG1-N 2.67Å; T1232-Y1236 PolarHBondContact O-N 2.86Å; T1232-Y1236 VanDerWaalsContact O-N 3.09Å |
| 1233 | I | 94.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 23% | 0.226 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58 | -35.3 | 172.3 | -179 | 58.1 | 0 | 0 | 0 | 112 | V975 F976 Y979 Q1235 Y1236 K1237 | V975-I1233 HydrophobicContact CG1-CD1 4.03Å; V975-I1233 WeakPolarHBondContact O-CD1 3.43Å; F976-I1233 HydrophobicContact CB-CD1 4.29Å; F976-I1233 HydrophobicContact CD2-CB 4.49Å; F976-I1233 HydrophobicContact CD2-CG1 4.13Å; Y979-I1233 HydrophobicContact CD1-CB 4.31Å; Y979-I1233 HydrophobicContact CD1-CD1 4.46Å; Y979-I1233 HydrophobicContact CG-CD1 4.2Å; I1233-Q1235 VanDerWaalsContact C-N 3.34Å; I1233-Q1235 PolarHBondContact O-N 2.74Å; I1233-Y1236 HydrophobicContact CD1-CD1 4.46Å; I1233-Y1236 PolarHBondContact O-N 3.49Å; I1233-Y1236 VanDerWaalsContact O-N 3.17Å; I1233-K1237 HydrophobicContact CD1-CG 4.04Å; I1233-K1237 HydrophobicContact CG1-CD 4.34Å; I1233-K1237 HydrophobicContact CG1-CG 4.24Å; I1233-K1237 WeakPolarHBondContact O-CB 3.33Å; I1233-K1237 PolarHBondContact O-N 3.38Å |
| 1234 | S | 94.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 28.3 Ų | 28.3 | 41% | 0.413 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.9 | -44.6 | 0 | 0 | 0 | 0 | 111.8 | C1148 T1232 Y1236 F1238 | C1148-S1234 VanDerWaalsContact SG-C 3.58Å; T1232-S1234 PolarHBondContact O-N 2.95Å; S1234-Y1236 VanDerWaalsContact C-N 3.3Å; S1234-Y1236 PolarHBondContact O-N 3.01Å; S1234-F1238 VanDerWaalsContact O-CB 3.29Å; S1234-F1238 WeakPolarHBondContact O-CB 3.44Å; S1234-F1238 PolarHBondContact O-N 3.5Å |
| 1235 | Q | 96.3 | Very high | 96.1 | Very high | 19 Ų | 19 | 27.2 Ų | 27.2 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -35.2 | 175.5 | -73.6 | 169.5 | 16.6 | 0 | 0 | 111.9 | W1143 C1148 G1192 V1196 V1230 T1232 I1233 V1239 | W1143-Q1235 HydrophobicContact CZ2-CG 4.14Å; C1148-Q1235 VanDerWaalsContact SG-CA 3.57Å; G1192-Q1235 VanDerWaalsContact CA-OE1 3.23Å; V1196-Q1235 HydrophobicContact CG2-CB 3.65Å; V1196-Q1235 HydrophobicContact CG2-CG 4.13Å; V1230-Q1235 HydrophobicContact CG1-CB 3.74Å; T1232-Q1235 WeakPolarHBondContact O-CB 3.37Å; T1232-Q1235 PolarHBondContact O-N 3.07Å; T1232-Q1235 VanDerWaalsContact O-N 3.09Å; T1232-Q1235 WeakPolarHBondContact OG1-CG 3.29Å; T1232-Q1235 PolarHBondContact OG1-N 2.67Å; I1233-Q1235 VanDerWaalsContact C-N 3.34Å; I1233-Q1235 PolarHBondContact O-N 2.74Å; Q1235-V1239 PolarHBondContact O-N 3.33Å |
| 1236 | Y | 96.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.5 | -43.4 | 178.2 | -165.8 | -118.3 | 0 | 0 | 0 | 112.7 | V975 E978 Y979 L1199 V1215 P1216 L1219 V1230 T1232 I1233 S1234 F1238 V1239 Y1240 | V975-Y1236 HydrophobicContact CG1-CD1 3.44Å; V975-Y1236 VanDerWaalsContact CG1-CD1 3.44Å; V975-Y1236 HydrophobicContact CG1-CE1 3.81Å; V975-Y1236 HydrophobicContact CG1-CG 4.49Å; E978-Y1236 HydrophobicContact CG-CE1 4.45Å; E978-Y1236 VanDerWaalsContact OE1-CE1 3.29Å; E978-Y1236 WeakPolarHBondContact OE1-CE1 3.47Å; E978-Y1236 PolarHBondContact OE1-OH 3.35Å; Y979-Y1236 AromaticContact CD2-CD1 3.82Å; Y979-Y1236 HydrophobicContact CD2-CD1 3.82Å; Y979-Y1236 HydrophobicContact CD2-CD2 4.1Å; Y979-Y1236 AromaticContact CD2-CG 3.57Å; Y979-Y1236 HydrophobicContact CD2-CG 3.57Å; Y979-Y1236 HydrophobicContact CE2-CG 4.4Å; Y979-Y1236 HydrophobicContact CG-CD1 4.13Å; Y979-Y1236 HydrophobicContact CG-CG 4.3Å; L1199-Y1236 HydrophobicContact CD2-CD2 4.35Å; L1199-Y1236 HydrophobicContact CD2-CE2 4.14Å; V1215-Y1236 HydrophobicContact CG1-CE2 3.71Å; P1216-Y1236 WeakPolarHBondContact CA-OH 3.4Å; L1219-Y1236 HydrophobicContact CB-CE2 4.27Å; L1219-Y1236 HydrophobicContact CD2-CD2 3.7Å; L1219-Y1236 HydrophobicContact CD2-CE2 3.44Å; L1219-Y1236 VanDerWaalsContact CD2-CE2 3.44Å; L1219-Y1236 HydrophobicContact CG-CE2 4.42Å; V1230-Y1236 HydrophobicContact CG1-CD2 4.24Å; T1232-Y1236 PolarHBondContact O-N 2.86Å; T1232-Y1236 VanDerWaalsContact O-N 3.09Å; I1233-Y1236 HydrophobicContact CD1-CD1 4.46Å; I1233-Y1236 PolarHBondContact O-N 3.49Å; I1233-Y1236 VanDerWaalsContact O-N 3.17Å; S1234-Y1236 VanDerWaalsContact C-N 3.3Å; S1234-Y1236 PolarHBondContact O-N 3.01Å; Y1236-F1238 VanDerWaalsContact C-N 3.26Å; Y1236-F1238 PolarHBondContact O-N 2.8Å; Y1236-V1239 WeakPolarHBondContact O-CB 3.39Å; Y1236-V1239 PolarHBondContact O-N 2.83Å; Y1236-V1239 VanDerWaalsContact O-N 3.14Å; Y1236-Y1240 HydrophobicContact CD1-CE2 4.38Å; Y1236-Y1240 HydrophobicContact CE1-CD2 4.42Å; Y1236-Y1240 AromaticContact CE1-CE2 3.77Å; Y1236-Y1240 HydrophobicContact CE1-CE2 3.77Å; Y1236-Y1240 AromaticContact CZ-CE2 3.9Å; Y1236-Y1240 PolarHBondContact O-N 2.78Å |
| 1237 | K | 94.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 25% | 0.252 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60 | -36.1 | 170.6 | -74.1 | -168.7 | 175.9 | -163 | 0 | 112 | L970 D973 V975 I1233 Y1240 Q1241 | L970-K1237 HydrophobicContact CD1-CB 3.95Å; L970-K1237 HydrophobicContact CD1-CD 4.09Å; L970-K1237 HydrophobicContact CD1-CG 3.81Å; D973-K1237 WeakPolarHBondContact OD1-CE 3.45Å; D973-K1237 IonicContact OD1-NZ 3.7Å; D973-K1237 PolarHBondContact OD1-NZ 2.63Å; V975-K1237 HydrophobicContact CB-CG 4.37Å; V975-K1237 HydrophobicContact CG1-CG 3.65Å; I1233-K1237 HydrophobicContact CD1-CG 4.04Å; I1233-K1237 HydrophobicContact CG1-CD 4.34Å; I1233-K1237 HydrophobicContact CG1-CG 4.24Å; I1233-K1237 WeakPolarHBondContact O-CB 3.33Å; I1233-K1237 PolarHBondContact O-N 3.38Å; K1237-Y1240 WeakPolarHBondContact O-CB 3.49Å; K1237-Y1240 PolarHBondContact O-N 2.67Å; K1237-Q1241 WeakPolarHBondContact O-CG 3.41Å; K1237-Q1241 PolarHBondContact O-N 2.82Å |
| 1238 | F | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 174.5 | -178.2 | -103.1 | 0 | 0 | 0 | 112.9 | W1143 C1148 P1149 V1152 F1155 V1196 S1234 Y1236 Y1240 Q1241 V1242 | W1143-F1238 HydrophobicContact CH2-CD1 4.5Å; C1148-F1238 HydrophobicContact CB-CB 3.88Å; C1148-F1238 HydrophobicContact CB-CD1 4.5Å; C1148-F1238 HydrophobicContact CB-CD2 3.99Å; C1148-F1238 HydrophobicContact CB-CG 3.87Å; P1149-F1238 HydrophobicContact CB-CE2 4.02Å; P1149-F1238 HydrophobicContact CB-CZ 3.97Å; P1149-F1238 HydrophobicContact CG-CE1 4.31Å; P1149-F1238 HydrophobicContact CG-CE2 4.21Å; P1149-F1238 HydrophobicContact CG-CZ 3.79Å; P1149-F1238 WeakPolarHBondContact O-CE2 3.47Å; V1152-F1238 HydrophobicContact CG2-CE2 3.98Å; F1155-F1238 HydrophobicContact CB-CE1 4.38Å; F1155-F1238 HydrophobicContact CB-CZ 3.85Å; F1155-F1238 AromaticContact CD1-CE1 3.72Å; F1155-F1238 HydrophobicContact CD1-CE1 3.72Å; F1155-F1238 AromaticContact CD1-CZ 4Å; F1155-F1238 HydrophobicContact CD1-CZ 4Å; F1155-F1238 HydrophobicContact CD2-CE1 4.11Å; F1155-F1238 HydrophobicContact CD2-CZ 4.31Å; F1155-F1238 AromaticContact CE1-CE1 3.92Å; F1155-F1238 HydrophobicContact CE1-CE1 3.92Å; F1155-F1238 HydrophobicContact CE2-CE1 4.32Å; F1155-F1238 AromaticContact CG-CE1 3.81Å; F1155-F1238 HydrophobicContact CG-CE1 3.81Å; F1155-F1238 AromaticContact CG-CZ 3.8Å; F1155-F1238 HydrophobicContact CG-CZ 3.8Å; F1155-F1238 HydrophobicContact CZ-CE1 4.21Å; V1196-F1238 HydrophobicContact CG1-CD1 3.77Å; V1196-F1238 HydrophobicContact CG1-CE1 4.11Å; S1234-F1238 VanDerWaalsContact O-CB 3.29Å; S1234-F1238 WeakPolarHBondContact O-CB 3.44Å; S1234-F1238 PolarHBondContact O-N 3.5Å; Y1236-F1238 VanDerWaalsContact C-N 3.26Å; Y1236-F1238 PolarHBondContact O-N 2.8Å; F1238-Y1240 VanDerWaalsContact C-N 3.35Å; F1238-Y1240 PolarHBondContact O-N 2.71Å; F1238-Q1241 PolarHBondContact O-N 2.83Å; F1238-V1242 HydrophobicContact CD1-CG2 4.08Å; F1238-V1242 HydrophobicContact CE1-CG2 3.69Å; F1238-V1242 HydrophobicContact CE2-CG2 4.22Å; F1238-V1242 HydrophobicContact CZ-CG2 3.77Å; F1238-V1242 VanDerWaalsContact O-CG2 3.26Å; F1238-V1242 WeakPolarHBondContact O-CG2 3.35Å; F1238-V1242 PolarHBondContact O-N 2.67Å |
| 1239 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | V1196 L1199 V1215 Q1235 Y1236 Q1241 V1242 L1243 | V1196-V1239 HydrophobicContact CB-CG2 4.23Å; V1196-V1239 HydrophobicContact CG1-CG2 3.8Å; V1196-V1239 HydrophobicContact CG2-CG2 4.22Å; L1199-V1239 HydrophobicContact CD2-CG1 4.07Å; L1199-V1239 HydrophobicContact CD2-CG2 4.26Å; L1199-V1239 HydrophobicContact CG-CG1 4.04Å; V1215-V1239 HydrophobicContact CG1-CG1 4.24Å; Q1235-V1239 PolarHBondContact O-N 3.33Å; Y1236-V1239 WeakPolarHBondContact O-CB 3.39Å; Y1236-V1239 PolarHBondContact O-N 2.83Å; Y1236-V1239 VanDerWaalsContact O-N 3.14Å; V1239-Q1241 PolarHBondContact O-N 2.89Å; V1239-V1242 PolarHBondContact O-N 3.48Å; V1239-L1243 HydrophobicContact CG1-CD1 3.95Å; V1239-L1243 HydrophobicContact CG1-CG 4.44Å; V1239-L1243 VanDerWaalsContact O-CG 3.3Å; V1239-L1243 WeakPolarHBondContact O-CG 3.32Å; V1239-L1243 PolarHBondContact O-N 2.79Å |
| 1240 | Y | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 174 | -88.3 | -92 | 0 | 0 | 0 | 112 | L966 K969 V975 E978 V1215 Y1236 K1237 F1238 V1242 L1243 I1244 | L966-Y1240 HydrophobicContact CB-CD1 4.4Å; L966-Y1240 HydrophobicContact CD2-CD1 3.79Å; L966-Y1240 HydrophobicContact CD2-CE1 3.54Å; K969-Y1240 HydrophobicContact CB-CE1 4.02Å; K969-Y1240 HydrophobicContact CD-CE1 3.82Å; K969-Y1240 VanDerWaalsContact CD-OH 3.32Å; K969-Y1240 WeakPolarHBondContact CD-OH 3.35Å; K969-Y1240 PolarHBondContact NZ-OH 2.92Å; V975-Y1240 HydrophobicContact CG1-CD2 3.94Å; V975-Y1240 HydrophobicContact CG1-CE2 4.05Å; V975-Y1240 HydrophobicContact CG2-CD1 4.31Å; V975-Y1240 HydrophobicContact CG2-CD2 3.92Å; V975-Y1240 HydrophobicContact CG2-CE1 4.21Å; V975-Y1240 HydrophobicContact CG2-CE2 3.79Å; V975-Y1240 HydrophobicContact CG2-CG 4.18Å; E978-Y1240 VanDerWaalsContact CD-OH 3.27Å; E978-Y1240 WeakPolarHBondContact OE1-CE2 3.42Å; E978-Y1240 PolarHBondContact OE1-OH 3.13Å; E978-Y1240 PolarHBondContact OE2-OH 2.8Å; V1215-Y1240 HydrophobicContact CB-CE2 4.06Å; V1215-Y1240 HydrophobicContact CG1-CE2 3.97Å; V1215-Y1240 HydrophobicContact CG2-CE1 4.28Å; V1215-Y1240 HydrophobicContact CG2-CE2 4.2Å; Y1236-Y1240 HydrophobicContact CD1-CE2 4.38Å; Y1236-Y1240 HydrophobicContact CE1-CD2 4.42Å; Y1236-Y1240 AromaticContact CE1-CE2 3.77Å; Y1236-Y1240 HydrophobicContact CE1-CE2 3.77Å; Y1236-Y1240 AromaticContact CZ-CE2 3.9Å; Y1236-Y1240 PolarHBondContact O-N 2.78Å; K1237-Y1240 WeakPolarHBondContact O-CB 3.49Å; K1237-Y1240 PolarHBondContact O-N 2.67Å; F1238-Y1240 VanDerWaalsContact C-N 3.35Å; F1238-Y1240 PolarHBondContact O-N 2.71Å; Y1240-V1242 PolarHBondContact O-N 2.63Å; Y1240-L1243 PolarHBondContact O-N 2.9Å; Y1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; Y1240-I1244 VanDerWaalsContact O-CG1 3.25Å; Y1240-I1244 WeakPolarHBondContact O-CG1 3.3Å; Y1240-I1244 PolarHBondContact O-N 3.41Å |
| 1241 | Q | 95.3 | Very high | 91.7 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.3 | -69.5 | 170.6 | -43.5 | 0 | 0 | 112.6 | L970 V1152 K1237 F1238 V1239 I1244 Q1245 | L970-Q1241 HydrophobicContact CD2-CG 3.9Å; V1152-Q1241 HydrophobicContact CG2-CB 4.27Å; K1237-Q1241 WeakPolarHBondContact O-CG 3.41Å; K1237-Q1241 PolarHBondContact O-N 2.82Å; F1238-Q1241 PolarHBondContact O-N 2.83Å; V1239-Q1241 PolarHBondContact O-N 2.89Å; Q1241-I1244 PolarHBondContact O-N 2.69Å; Q1241-Q1245 WeakPolarHBondContact O-CB 3.41Å; Q1241-Q1245 PolarHBondContact O-N 3.5Å |
| 1242 | V | 96.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | V1152 F1155 L1156 L1159 A1200 I1204 F1238 V1239 Y1240 F1246 | V1152-V1242 HydrophobicContact CG1-CB 4.4Å; V1152-V1242 HydrophobicContact CG1-CG2 3.91Å; F1155-V1242 HydrophobicContact CD1-CG1 4.19Å; F1155-V1242 HydrophobicContact CD1-CG2 3.62Å; F1155-V1242 HydrophobicContact CE1-CG1 4.45Å; F1155-V1242 HydrophobicContact CE1-CG2 4.1Å; L1156-V1242 HydrophobicContact CD2-CG1 3.66Å; L1156-V1242 HydrophobicContact CG-CG1 4.24Å; L1159-V1242 HydrophobicContact CD1-CG1 4.23Å; A1200-V1242 HydrophobicContact CB-CG1 4.1Å; I1204-V1242 HydrophobicContact CD1-CG1 4.29Å; F1238-V1242 HydrophobicContact CD1-CG2 4.08Å; F1238-V1242 HydrophobicContact CE1-CG2 3.69Å; F1238-V1242 HydrophobicContact CE2-CG2 4.22Å; F1238-V1242 HydrophobicContact CZ-CG2 3.77Å; F1238-V1242 VanDerWaalsContact O-CG2 3.26Å; F1238-V1242 WeakPolarHBondContact O-CG2 3.35Å; F1238-V1242 PolarHBondContact O-N 2.67Å; V1239-V1242 PolarHBondContact O-N 3.48Å; Y1240-V1242 PolarHBondContact O-N 2.63Å; V1242-F1246 WeakPolarHBondContact O-CB 3.43Å; V1242-F1246 PolarHBondContact O-N 2.82Å |
| 1243 | L | 95.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.9 | -40 | 179.1 | -65.1 | 169.3 | 0 | 0 | 0 | 112.7 | L966 M1203 I1204 L1207 V1215 V1239 Y1240 F1246 L1247 | L966-L1243 HydrophobicContact CD1-CB 4.04Å; M1203-L1243 HydrophobicContact CB-CD1 3.72Å; M1203-L1243 HydrophobicContact CB-CD2 3.54Å; M1203-L1243 HydrophobicContact CB-CG 4.26Å; M1203-L1243 HydrophobicContact CG-CD1 4.27Å; I1204-L1243 HydrophobicContact CG1-CD2 3.81Å; L1207-L1243 HydrophobicContact CD1-CB 4.09Å; L1207-L1243 HydrophobicContact CD1-CD2 3.58Å; L1207-L1243 HydrophobicContact CD1-CG 4.38Å; V1215-L1243 HydrophobicContact CG2-CD1 3.95Å; V1239-L1243 HydrophobicContact CG1-CD1 3.95Å; V1239-L1243 HydrophobicContact CG1-CG 4.44Å; V1239-L1243 VanDerWaalsContact O-CG 3.3Å; V1239-L1243 WeakPolarHBondContact O-CG 3.32Å; V1239-L1243 PolarHBondContact O-N 2.79Å; Y1240-L1243 PolarHBondContact O-N 2.9Å; L1243-F1246 PolarHBondContact O-N 3.33Å; L1243-L1247 PolarHBondContact O-N 3.2Å |
| 1244 | I | 93.5 | Very high | 86.1 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -45.8 | 174.1 | -67 | 158.8 | 0 | 0 | 0 | 110 | L966 E967 L970 Y1240 Q1241 F1246 L1247 K1248 | L966-I1244 HydrophobicContact CB-CD1 4.21Å; L966-I1244 HydrophobicContact CB-CG1 3.69Å; E967-I1244 HydrophobicContact CG-CD1 3.83Å; E967-I1244 HydrophobicContact CG-CG1 3.96Å; E967-I1244 HydrophobicContact CG-CG2 3.69Å; L970-I1244 HydrophobicContact CD2-CD1 3.81Å; Y1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; Y1240-I1244 VanDerWaalsContact O-CG1 3.25Å; Y1240-I1244 WeakPolarHBondContact O-CG1 3.3Å; Y1240-I1244 PolarHBondContact O-N 3.41Å; Q1241-I1244 PolarHBondContact O-N 2.69Å; I1244-F1246 VanDerWaalsContact C-N 3.34Å; I1244-F1246 PolarHBondContact O-N 2.81Å; I1244-L1247 PolarHBondContact O-N 3.26Å; I1244-K1248 HydrophobicContact CG2-CD 4.14Å; I1244-K1248 WeakPolarHBondContact O-CG 3.42Å; I1244-K1248 PolarHBondContact O-N 3.33Å |
| 1245 | Q | 93.8 | Very high | 85.6 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 177.4 | -169.1 | 64.3 | 52.8 | 0 | 0 | 112.1 | V1152 L1156 Q1241 K1248 N1249 | V1152-Q1245 HydrophobicContact CG1-CB 3.71Å; V1152-Q1245 HydrophobicContact CG1-CG 4.06Å; L1156-Q1245 HydrophobicContact CD1-CB 3.89Å; L1156-Q1245 HydrophobicContact CD1-CG 3.69Å; Q1241-Q1245 WeakPolarHBondContact O-CB 3.41Å; Q1241-Q1245 PolarHBondContact O-N 3.5Å; Q1245-K1248 PolarHBondContact O-N 2.84Å; Q1245-N1249 PolarHBondContact NE2-OD1 2.87Å; Q1245-N1249 WeakPolarHBondContact O-CB 3.24Å; Q1245-N1249 PolarHBondContact O-N 3.37Å; Q1245-N1249 PolarHBondContact O-OD1 2.96Å |
| 1246 | F | 94 | Very high | 85 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 173.3 | 178.4 | -98.1 | 0 | 0 | 0 | 111.9 | L1156 I1204 L1207 E1208 V1242 L1243 I1244 N1249 S1250 | L1156-F1246 HydrophobicContact CD2-CB 4.03Å; L1156-F1246 HydrophobicContact CD2-CD2 4.29Å; I1204-F1246 HydrophobicContact CD1-CD2 4.21Å; I1204-F1246 HydrophobicContact CD1-CG 4.35Å; I1204-F1246 HydrophobicContact CG1-CB 4.32Å; I1204-F1246 HydrophobicContact CG1-CD1 4.31Å; I1204-F1246 HydrophobicContact CG1-CD2 4.21Å; I1204-F1246 HydrophobicContact CG1-CG 4Å; I1204-F1246 HydrophobicContact CG2-CD1 4.33Å; I1204-F1246 HydrophobicContact CG2-CD2 4.01Å; I1204-F1246 HydrophobicContact CG2-CE1 4.03Å; I1204-F1246 HydrophobicContact CG2-CE2 3.69Å; I1204-F1246 HydrophobicContact CG2-CG 4.33Å; I1204-F1246 HydrophobicContact CG2-CZ 3.71Å; L1207-F1246 HydrophobicContact CB-CD1 4.32Å; L1207-F1246 HydrophobicContact CB-CE1 4.15Å; L1207-F1246 HydrophobicContact CD1-CD1 4.04Å; E1208-F1246 HydrophobicContact CG-CE1 4.03Å; E1208-F1246 HydrophobicContact CG-CZ 3.59Å; V1242-F1246 WeakPolarHBondContact O-CB 3.43Å; V1242-F1246 PolarHBondContact O-N 2.82Å; L1243-F1246 PolarHBondContact O-N 3.33Å; I1244-F1246 VanDerWaalsContact C-N 3.34Å; I1244-F1246 PolarHBondContact O-N 2.81Å; F1246-N1249 PolarHBondContact O-N 3.21Å; F1246-S1250 VanDerWaalsContact O-CB 3.29Å; F1246-S1250 WeakPolarHBondContact O-CB 3.26Å; F1246-S1250 PolarHBondContact O-N 3.43Å; F1246-S1250 PolarHBondContact O-OG 2.83Å |
| 1247 | L | 91.1 | Very high | 84.4 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.9 | -79.2 | 177.6 | 0 | 0 | 0 | 112.4 | R962 C963 L966 L1207 L1243 I1244 N1249 S1250 | R962-L1247 HydrophobicContact CB-CD1 4.12Å; C963-L1247 HydrophobicContact CB-CB 4.31Å; C963-L1247 HydrophobicContact CB-CD1 3.87Å; L966-L1247 HydrophobicContact CD1-CD1 4.07Å; L1207-L1247 HydrophobicContact CD1-CG 4.29Å; L1207-L1247 HydrophobicContact CD2-CD1 3.96Å; L1207-L1247 HydrophobicContact CD2-CD2 4.03Å; L1207-L1247 HydrophobicContact CD2-CG 4.12Å; L1243-L1247 PolarHBondContact O-N 3.2Å; I1244-L1247 PolarHBondContact O-N 3.26Å; L1247-N1249 VanDerWaalsContact C-N 3.33Å; L1247-N1249 PolarHBondContact O-N 3.45Å; L1247-S1250 WeakPolarHBondContact O-CB 3.44Å; L1247-S1250 PolarHBondContact O-N 2.91Å; L1247-S1250 VanDerWaalsContact O-N 3.1Å |
| 1248 | K | 89.3 | Confident | 83.7 | Confident | 115 Ų | 115 | 64.1 Ų | 64.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 177 | -71.4 | 177.3 | -179.2 | -178.3 | 0 | 113.2 | E967 I1244 Q1245 | E967-K1248 WeakPolarHBondContact OE1-CE 3.39Å; E967-K1248 IonicContact OE1-NZ 3.31Å; E967-K1248 PolarHBondContact OE1-NZ 2.83Å; I1244-K1248 HydrophobicContact CG2-CD 4.14Å; I1244-K1248 WeakPolarHBondContact O-CG 3.42Å; I1244-K1248 PolarHBondContact O-N 3.33Å; Q1245-K1248 PolarHBondContact O-N 2.84Å |
| 1249 | N | 86.6 | Confident | 82.8 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.2 | -31.5 | 172.6 | -68.2 | 4.8 | 0 | 0 | 0 | 111.8 | Q1245 F1246 L1247 R1251 | Q1245-N1249 PolarHBondContact NE2-OD1 2.87Å; Q1245-N1249 WeakPolarHBondContact O-CB 3.24Å; Q1245-N1249 PolarHBondContact O-N 3.37Å; Q1245-N1249 PolarHBondContact O-OD1 2.96Å; F1246-N1249 PolarHBondContact O-N 3.21Å; L1247-N1249 VanDerWaalsContact C-N 3.33Å; L1247-N1249 PolarHBondContact O-N 3.45Å; N1249-R1251 PolarHBondContact O-N 2.75Å |
| 1250 | S | 79.3 | Confident | 81.8 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | trans | -75.4 | 83.9 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | F1246 L1247 L1252 | F1246-S1250 VanDerWaalsContact O-CB 3.29Å; F1246-S1250 WeakPolarHBondContact O-CB 3.26Å; F1246-S1250 PolarHBondContact O-N 3.43Å; F1246-S1250 PolarHBondContact O-OG 2.83Å; L1247-S1250 WeakPolarHBondContact O-CB 3.44Å; L1247-S1250 PolarHBondContact O-N 2.91Å; L1247-S1250 VanDerWaalsContact O-N 3.1Å; S1250-L1252 PolarHBondContact O-N 2.73Å | ||
| 1251 | R | 55.2 | Low | 80.7 | Confident | 231 Ų | 231 | 78.9 Ų | 78.9 | 87% | 0.872 | 38% | 0.375 | S | S | * | . | trans | -63.9 | 85.5 | 166.9 | -67.2 | -174.5 | -178.4 | 179.6 | 2.2 | 110.5 | N1249 I1253 | N1249-R1251 PolarHBondContact O-N 2.75Å; R1251-I1253 PolarHBondContact O-N 2.73Å | ||
| 1252 | L | 45.2 | Very low | 79.5 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 63% | 0.628 | 37% | 0.372 | S | S | * | . | trans | -61.2 | 127.5 | 165.6 | -73.5 | 162.9 | 0 | 0 | 0 | 108.7 | S1250 | S1250-L1252 PolarHBondContact O-N 2.73Š| ||
| 1253 | I | 33.9 | Very low | 77.9 | Confident | 233 Ų | 233 | 85.4 Ų | 85.4 | 100% | 1.195 | 41% | 0.406 | S | S | * | . | trans | -113.9 | 0 | 178.3 | -55.5 | 177.2 | 0 | 0 | 0 | 107.8 | R1251 | R1251-I1253 PolarHBondContact O-N 2.73Š|
Retrieved 1,253 of 1,253 residues in 399.3 ms
(Link to these results)