| 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 | P | 20.3 | Very low | 28.9 | Very low | 168 Ų | 168 | 113.6 Ų | 113.6 | 100% | 1.091 | 67% | 0.674 | S | S | * | * | 0 | 119 | 0 | 13.5 | 9.1 | 0 | 0 | 0 | 109.3 | |||||
| 2 | P | 23.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 83% | 0.831 | 64% | 0.639 | S | S | * | * | trans | -80.1 | 127.1 | 179.7 | 31.3 | -28 | 0 | 0 | 0 | 109.6 | ||||
| 3 | D | 23.9 | Very low | 35.4 | Very low | 107 Ų | 107 | 105.9 Ų | 105.9 | 57% | 0.572 | 62% | 0.621 | S | S | * | * | trans | -62.7 | 134.9 | -179.1 | -73 | -35.7 | 0 | 0 | 0 | 112.3 | L5 | D3-L5 VanDerWaalsContact C-N 3.26Å; D3-L5 PolarHBondContact O-N 2.79Å | ||
| 4 | S | 21.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 101.1 Ų | 101.1 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 13.4 | -176.7 | 51.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 5 | L | 25.5 | Very low | 42 | Very low | 163 Ų | 163 | 99.2 Ų | 99.2 | 85% | 0.853 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -7.3 | -174.4 | -76.6 | 162 | 0 | 0 | 0 | 114.2 | D3 | D3-L5 VanDerWaalsContact C-N 3.26Å; D3-L5 PolarHBondContact O-N 2.79Å |
| 6 | L | 25.5 | Very low | 44.8 | Very low | 89 Ų | 89 | 93.3 Ų | 93.3 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -81 | 127 | 168.9 | -76.4 | 158.2 | 0 | 0 | 0 | 108.8 | ||
| 7 | S | 26.7 | Very low | 47.5 | Very low | 75 Ų | 75 | 88.7 Ų | 88.7 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | trans | -49.6 | 135.8 | 177.1 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | D9 S10 | S7-D9 PolarHBondContact O-N 3.4Å; S7-S10 PolarHBondContact O-N 2.87Å; S7-S10 PolarHBondContact O-OG 3.01Å | ||
| 8 | P | 26.6 | Very low | 49.9 | Very low | 116 Ų | 116 | 89.4 Ų | 89.4 | 75% | 0.753 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.2 | -170.3 | 21.4 | -32.3 | 0 | 0 | 0 | 114.4 | S10 | P8-S10 VanDerWaalsContact C-N 3.34Š|
| 9 | D | 33.6 | Very low | 51.9 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -4.4 | 175.4 | -83.6 | -18.7 | 0 | 0 | 0 | 113.8 | S7 K817 | S7-D9 PolarHBondContact O-N 3.4Å; D9-K817 IonicContact OD1-NZ 3.62Å; D9-K817 IonicContact OD2-NZ 3.76Å; D9-K817 PolarHBondContact OD2-NZ 3.07Å |
| 10 | S | 40.4 | Very low | 53.8 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | trans | -115 | 12.2 | -172.5 | 67.9 | 0 | 0 | 0 | 0 | 115.7 | S7 P8 M12 | S7-S10 PolarHBondContact O-N 2.87Å; S7-S10 PolarHBondContact O-OG 3.01Å; P8-S10 VanDerWaalsContact C-N 3.34Å; S10-M12 VanDerWaalsContact C-N 3.27Å; S10-M12 PolarHBondContact O-N 3.04Å | ||
| 11 | H | 49.8 | Very low | 55.5 | Low | 128 Ų | 128 | 92.7 Ų | 92.7 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | trans | -73.5 | 81.3 | 174.1 | -70 | -65.9 | 0 | 0 | 0 | 111.1 | ||||
| 12 | M | 64.3 | Low | 58.8 | Low | 51 Ų | 51 | 92.5 Ų | 92.5 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | trans | -76.2 | 126.2 | 163.8 | -65.1 | -164.4 | -146.4 | 0 | 0 | 109.1 | S10 V14 Y118 | S10-M12 VanDerWaalsContact C-N 3.27Å; S10-M12 PolarHBondContact O-N 3.04Å; M12-V14 HydrophobicContact CB-CG2 4.31Å; M12-V14 PolarHBondContact O-N 3.48Å; M12-Y118 HydrophobicContact CE-CD1 3.79Å; M12-Y118 HydrophobicContact CE-CE1 3.5Å; M12-Y118 VanDerWaalsContact CE-CE1 3.5Å; M12-Y118 HydrophobicContact SD-CD1 4.1Å; M12-Y118 HydrophobicContact SD-CE1 3.75Å | ||
| 13 | D | 77.4 | Confident | 62 | Low | 76 Ų | 76 | 90.1 Ų | 90.1 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 109.4 | 172.1 | 173.8 | 21.8 | 0 | 0 | 0 | 108 | R68 | D13-R68 HydrophobicContact CB-CB 4.17Å; D13-R68 PolarHBondContact N-O 3.24Å; D13-R68 VanDerWaalsContact N-O 3.15Å; D13-R68 PolarHBondContact O-N 3.11Å |
| 14 | V | 82.8 | Confident | 65 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 24% | 0.236 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.8 | -174.6 | -175.4 | 0 | 0 | 0 | 0 | 110 | M12 L59 L65 L67 | M12-V14 HydrophobicContact CB-CG2 4.31Å; M12-V14 PolarHBondContact O-N 3.48Å; V14-L59 HydrophobicContact CB-CD2 4.4Å; V14-L59 HydrophobicContact CG1-CD2 3.68Å; V14-L65 HydrophobicContact CG1-CB 4.4Å; V14-L65 HydrophobicContact CG1-CD1 4.36Å; V14-L65 HydrophobicContact CG1-CD2 4.1Å; V14-L67 HydrophobicContact CB-CD2 4.16Å; V14-L67 HydrophobicContact CG1-CD2 3.76Å; V14-L67 HydrophobicContact CG2-CD2 3.6Å |
| 15 | Q | 86.9 | Confident | 68.3 | Low | 72 Ų | 72 | 89.4 Ų | 89.4 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.7 | 178.2 | -63 | 179.5 | 4 | 0 | 0 | 111.5 | Y17 L65 L66 | Q15-Y17 HydrophobicContact CB-CE2 3.72Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.46Å; Q15-Y17 PolarHBondContact OE1-OH 3.2Å; Q15-Y17 VanDerWaalsContact OE1-OH 3.08Å; Q15-L65 WeakPolarHBondContact O-CA 3.42Å; Q15-L66 HydrophobicContact CB-CB 4.37Å; Q15-L66 PolarHBondContact N-O 3.15Å; Q15-L66 PolarHBondContact O-N 3.09Å |
| 16 | G | 87.6 | Confident | 71.4 | Confident | 5 Ų | 5 | 85.4 Ų | 85.4 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S56 C57 | G16-S56 WeakPolarHBondContact O-CA 3.28Å; G16-C57 CarbonylContact C-O 3.57Å; G16-C57 PolarHBondContact O-N 3.26Å; G16-C57 VanDerWaalsContact O-O 3.11Å |
| 17 | Y | 90.2 | Very high | 74.4 | Confident | 15 Ų | 15 | 81.7 Ų | 81.7 | 6% | 0.059 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.6 | 176.6 | -65.3 | -92.9 | 0 | 0 | 0 | 111.6 | Q15 V50 L51 C54 R55 D63 V64 L66 | Q15-Y17 HydrophobicContact CB-CE2 3.72Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.46Å; Q15-Y17 PolarHBondContact OE1-OH 3.2Å; Q15-Y17 VanDerWaalsContact OE1-OH 3.08Å; Y17-V50 HydrophobicContact CD1-CG1 3.74Å; Y17-V50 HydrophobicContact CD2-CG1 3.75Å; Y17-V50 HydrophobicContact CE1-CG1 4.19Å; Y17-V50 HydrophobicContact CE2-CG1 4.23Å; Y17-V50 HydrophobicContact CG-CG1 3.5Å; Y17-L51 HydrophobicContact CE1-CD2 4.06Å; Y17-C54 HydrophobicContact CD1-CB 4.35Å; Y17-C54 HydrophobicContact CG-CB 4.48Å; Y17-R55 CarbonylContact C-O 3.54Å; Y17-R55 WeakPolarHBondContact CA-O 3.38Å; Y17-D63 PolarHBondContact O-N 3.23Å; Y17-V64 PolarHBondContact N-O 3.23Å; Y17-V64 PolarHBondContact O-N 2.73Å; Y17-L66 HydrophobicContact CD2-CB 4.16Å; Y17-L66 HydrophobicContact CE2-CB 3.68Å; Y17-L66 HydrophobicContact CE2-CD2 4.23Å |
| 18 | K | 91.3 | Very high | 77.3 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 44% | 0.439 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.5 | 177.9 | -167.2 | 174.1 | -175.3 | 165 | 0 | 111.4 | C54 R55 C57 D63 | K18-C54 CarbonylContact O-C 3.3Å; K18-C54 WeakPolarHBondContact O-CA 3.47Å; K18-C54 VanDerWaalsContact O-CB 3.24Å; K18-C54 WeakPolarHBondContact O-CB 3.14Å; K18-R55 PolarHBondContact N-O 2.66Å; K18-R55 PolarHBondContact O-N 2.98Å; K18-C57 HydrophobicContact CB-CB 4.23Å; K18-D63 VanDerWaalsContact CG-OD2 3.23Å; K18-D63 WeakPolarHBondContact CG-OD2 3.26Å |
| 19 | W | 87.6 | Confident | 80.3 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 33% | 0.326 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 137.3 | 179.4 | -72.1 | 103.9 | 0 | 0 | 0 | 112.1 | V24 R53 D63 V64 | W19-V24 HydrophobicContact CE3-CG2 3.45Å; W19-V24 VanDerWaalsContact CE3-CG2 3.45Å; W19-V24 HydrophobicContact CZ3-CG2 3.79Å; W19-R53 HydrophobicContact CE3-CB 4.06Å; W19-R53 HydrophobicContact CZ3-CB 3.68Å; W19-R53 HydrophobicContact CZ3-CG 4.28Å; W19-D63 HydrophobicContact CG-CB 4.44Å; W19-D63 PolarHBondContact N-OD2 2.96Å; W19-V64 HydrophobicContact CZ2-CG2 3.83Å |
| 20 | V | 90.8 | Very high | 83 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | trans | -116.9 | 106.9 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 109.3 | W22 R23 V24 R53 R55 | V20-W22 VanDerWaalsContact CG1-CD1 3.4Å; V20-W22 HydrophobicContact CG1-CD2 4.46Å; V20-W22 HydrophobicContact CG1-CG 4.15Å; V20-W22 VanDerWaalsContact CG1-NE1 3.25Å; V20-W22 PolarHBondContact O-N 3.48Å; V20-R23 HydrophobicContact CB-CB 4.08Å; V20-R23 HydrophobicContact CB-CG 4.03Å; V20-R23 HydrophobicContact CG1-CB 4.23Å; V20-R23 HydrophobicContact CG1-CG 3.82Å; V20-R23 WeakPolarHBondContact O-CB 3.09Å; V20-R23 PolarHBondContact O-N 2.97Å; V20-V24 WeakPolarHBondContact O-CG2 3.29Å; V20-V24 PolarHBondContact O-N 3.22Å; V20-R53 PolarHBondContact N-O 3.05Å; V20-R55 HydrophobicContact CG2-CB 3.86Å | ||
| 21 | R | 89.2 | Confident | 85.2 | Confident | 221 Ų | 221 | 80.3 Ų | 80.3 | 83% | 0.834 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -51.5 | -46.3 | -170.9 | -68.2 | -176.8 | 179.2 | 174 | -0.3 | 113.9 | R23 V24 W25 | R21-R23 PolarHBondContact O-N 2.9Å; R21-V24 PolarHBondContact O-N 3.03Å; R21-W25 PolarHBondContact O-N 3.37Å |
| 22 | W | 89.6 | Confident | 87.2 | Confident | 164 Ų | 164 | 80.5 Ų | 80.5 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68 | -34.8 | -179.5 | 73.4 | -99.9 | 0 | 0 | 0 | 112.7 | V20 W25 L26 | V20-W22 VanDerWaalsContact CG1-CD1 3.4Å; V20-W22 HydrophobicContact CG1-CD2 4.46Å; V20-W22 HydrophobicContact CG1-CG 4.15Å; V20-W22 VanDerWaalsContact CG1-NE1 3.25Å; V20-W22 PolarHBondContact O-N 3.48Å; W22-W25 PolarHBondContact O-N 2.95Å; W22-L26 HydrophobicContact CZ3-CD2 4Å; W22-L26 WeakPolarHBondContact O-CB 3.42Å; W22-L26 PolarHBondContact O-N 3.33Å |
| 23 | R | 89.7 | Confident | 88.3 | Confident | 79 Ų | 79 | 84 Ų | 84 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 176.2 | -70.8 | -171.4 | 177.3 | -171 | -5.2 | 111.5 | V20 R21 L26 C27 A52 C54 | V20-R23 HydrophobicContact CB-CB 4.08Å; V20-R23 HydrophobicContact CB-CG 4.03Å; V20-R23 HydrophobicContact CG1-CB 4.23Å; V20-R23 HydrophobicContact CG1-CG 3.82Å; V20-R23 WeakPolarHBondContact O-CB 3.09Å; V20-R23 PolarHBondContact O-N 2.97Å; R21-R23 PolarHBondContact O-N 2.9Å; R23-L26 PolarHBondContact O-N 3.21Å; R23-C27 WeakPolarHBondContact O-CB 3.36Å; R23-C27 PolarHBondContact O-N 2.87Å; R23-C27 PolarHBondContact O-SG 2.81Å; R23-A52 WeakPolarHBondContact CB-O 2.92Å; R23-C54 PolarHBondContact NH1-O 2.79Å |
| 24 | V | 88.5 | Confident | 88.9 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 174 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | W19 V20 R21 C27 R28 R53 | W19-V24 HydrophobicContact CE3-CG2 3.45Å; W19-V24 VanDerWaalsContact CE3-CG2 3.45Å; W19-V24 HydrophobicContact CZ3-CG2 3.79Å; V20-V24 WeakPolarHBondContact O-CG2 3.29Å; V20-V24 PolarHBondContact O-N 3.22Å; R21-V24 PolarHBondContact O-N 3.03Å; V24-C27 WeakPolarHBondContact O-CB 3.13Å; V24-C27 PolarHBondContact O-N 3.31Å; V24-R28 WeakPolarHBondContact O-CG 3.45Å; V24-R28 PolarHBondContact O-N 3.47Å; V24-R53 HydrophobicContact CG2-CB 4.1Å; V24-R53 HydrophobicContact CG2-CG 4.5Å |
| 25 | W | 91.2 | Very high | 88.9 | Confident | 177 Ų | 177 | 89 Ų | 89 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 175.8 | -88.8 | 107.2 | 0 | 0 | 0 | 112.4 | R21 W22 C27 R28 L29 | R21-W25 PolarHBondContact O-N 3.37Å; W22-W25 PolarHBondContact O-N 2.95Å; W25-C27 VanDerWaalsContact C-N 3.34Å; W25-C27 PolarHBondContact O-N 3.27Å; W25-R28 PolarHBondContact O-N 3.27Å; W25-L29 WeakPolarHBondContact O-CB 3.21Å; W25-L29 PolarHBondContact O-N 2.82Å |
| 26 | L | 89.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 86.6 Ų | 86.6 | 41% | 0.414 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 174.2 | -178 | 65.6 | 0 | 0 | 0 | 111.6 | W22 R23 R28 L29 L30 | W22-L26 HydrophobicContact CZ3-CD2 4Å; W22-L26 WeakPolarHBondContact O-CB 3.42Å; W22-L26 PolarHBondContact O-N 3.33Å; R23-L26 PolarHBondContact O-N 3.21Å; L26-R28 VanDerWaalsContact C-N 3.35Å; L26-R28 PolarHBondContact O-N 2.76Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L30 HydrophobicContact CD1-CD1 4.28Å; L26-L30 HydrophobicContact CD1-CG 4.45Å; L26-L30 HydrophobicContact CG-CD1 3.96Å; L26-L30 WeakPolarHBondContact O-CB 3.18Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 3.07Å |
| 27 | C | 88.2 | Confident | 88.3 | Confident | 11 Ų | 11 | 92.1 Ų | 92.1 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | R23 V24 W25 A31 F42 R53 | R23-C27 WeakPolarHBondContact O-CB 3.36Å; R23-C27 PolarHBondContact O-N 2.87Å; R23-C27 PolarHBondContact O-SG 2.81Å; V24-C27 WeakPolarHBondContact O-CB 3.13Å; V24-C27 PolarHBondContact O-N 3.31Å; W25-C27 VanDerWaalsContact C-N 3.34Å; W25-C27 PolarHBondContact O-N 3.27Å; C27-A31 VanDerWaalsContact O-CB 3.23Å; C27-A31 WeakPolarHBondContact O-CB 3.09Å; C27-A31 PolarHBondContact O-N 3.23Å; C27-F42 HydrophobicContact CB-CE2 4.08Å; C27-R53 HydrophobicContact CB-CG 4.18Å |
| 28 | R | 88.1 | Confident | 88 | Confident | 154 Ų | 154 | 93 Ų | 93 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68 | -41.2 | 175.6 | -72.6 | 178.6 | -179.5 | -177.1 | -0.2 | 111.8 | V24 W25 L26 A31 L32 | V24-R28 WeakPolarHBondContact O-CG 3.45Å; V24-R28 PolarHBondContact O-N 3.47Å; W25-R28 PolarHBondContact O-N 3.27Å; L26-R28 VanDerWaalsContact C-N 3.35Å; L26-R28 PolarHBondContact O-N 2.76Å; R28-A31 WeakPolarHBondContact O-CB 3.22Å; R28-A31 PolarHBondContact O-N 2.91Å; R28-L32 PolarHBondContact O-N 3.43Å |
| 29 | L | 89.6 | Confident | 87.6 | Confident | 97 Ų | 97 | 93.2 Ų | 93.2 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 175 | -177.3 | 70.6 | 0 | 0 | 0 | 111.1 | W25 L26 A31 L32 L33 | W25-L29 WeakPolarHBondContact O-CB 3.21Å; W25-L29 PolarHBondContact O-N 2.82Å; L26-L29 PolarHBondContact O-N 3.43Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 3.19Å; L29-L32 WeakPolarHBondContact O-CB 3.18Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.47Å |
| 30 | L | 89.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 91.1 Ų | 91.1 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 175.7 | -74.1 | 165.9 | 0 | 0 | 0 | 111.9 | L26 L32 L33 T34 L38 | L26-L30 HydrophobicContact CD1-CD1 4.28Å; L26-L30 HydrophobicContact CD1-CG 4.45Å; L26-L30 HydrophobicContact CG-CD1 3.96Å; L26-L30 WeakPolarHBondContact O-CB 3.18Å; L26-L30 WeakPolarHBondContact O-CG 3.22Å; L26-L30 PolarHBondContact O-N 3.07Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L33 PolarHBondContact O-N 2.96Å; L30-T34 WeakPolarHBondContact O-CB 3.39Å; L30-T34 VanDerWaalsContact O-CG2 3.26Å; L30-T34 WeakPolarHBondContact O-CG2 3.38Å; L30-T34 PolarHBondContact O-N 3.44Å; L30-T34 PolarHBondContact O-OG1 3.49Å; L30-L38 HydrophobicContact CB-CD2 3.53Å; L30-L38 HydrophobicContact CD1-CD2 4.48Å |
| 31 | A | 88.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 93.4 Ų | 93.4 | 6% | 0.058 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C27 R28 L29 T34 L35 G36 L38 L39 | C27-A31 VanDerWaalsContact O-CB 3.23Å; C27-A31 WeakPolarHBondContact O-CB 3.09Å; C27-A31 PolarHBondContact O-N 3.23Å; R28-A31 WeakPolarHBondContact O-CB 3.22Å; R28-A31 PolarHBondContact O-N 2.91Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 3.19Å; A31-T34 CarbonylContact O-C 3.59Å; A31-T34 PolarHBondContact O-N 3.45Å; A31-T34 PolarHBondContact O-OG1 3.3Å; A31-L35 PolarHBondContact O-N 2.78Å; A31-G36 PolarHBondContact O-N 2.9Å; A31-L38 HydrophobicContact CB-CB 4.47Å; A31-L39 HydrophobicContact CB-CD1 4.02Å; A31-L39 HydrophobicContact CB-CD2 4.13Å; A31-L39 HydrophobicContact CB-CG 3.71Å |
| 32 | L | 90 | Very high | 86.8 | Confident | 132 Ų | 132 | 84 Ų | 84 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -47.8 | 175.4 | -168.7 | 105.7 | 0 | 0 | 0 | 111.6 | R28 L29 L30 T34 L35 | R28-L32 PolarHBondContact O-N 3.43Å; L29-L32 WeakPolarHBondContact O-CB 3.18Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L32-T34 PolarHBondContact O-N 3.23Å; L32-L35 PolarHBondContact O-N 3.31Å |
| 33 | L | 89.2 | Confident | 86.5 | Confident | 125 Ų | 125 | 80.8 Ų | 80.8 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -31.2 | 178.3 | -71.3 | 171.6 | 0 | 0 | 0 | 112.8 | L29 L30 | L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CG 3.29Å; L29-L33 PolarHBondContact O-N 3.47Å; L30-L33 PolarHBondContact O-N 2.96Å |
| 34 | T | 88.1 | Confident | 86 | Confident | 52 Ų | 52 | 82.5 Ų | 82.5 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 12.7 | 178 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | L30 A31 L32 G36 L37 L38 | L30-T34 WeakPolarHBondContact O-CB 3.39Å; L30-T34 VanDerWaalsContact O-CG2 3.26Å; L30-T34 WeakPolarHBondContact O-CG2 3.38Å; L30-T34 PolarHBondContact O-N 3.44Å; L30-T34 PolarHBondContact O-OG1 3.49Å; A31-T34 CarbonylContact O-C 3.59Å; A31-T34 PolarHBondContact O-N 3.45Å; A31-T34 PolarHBondContact O-OG1 3.3Å; L32-T34 PolarHBondContact O-N 3.23Å; T34-G36 PolarHBondContact O-N 3.33Å; T34-G36 VanDerWaalsContact O-N 3.1Å; T34-L37 WeakPolarHBondContact O-CB 3.14Å; T34-L37 WeakPolarHBondContact O-CD1 3.3Å; T34-L37 PolarHBondContact O-N 3.47Å; T34-L38 WeakPolarHBondContact OG1-CB 3.45Å; T34-L38 PolarHBondContact OG1-N 3.31Å |
| 35 | L | 84.6 | Confident | 85.7 | Confident | 169 Ų | 169 | 89.5 Ų | 89.5 | 89% | 0.885 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.7 | -177.7 | -65.3 | 166 | 0 | 0 | 0 | 113.2 | A31 L32 | A31-L35 PolarHBondContact O-N 2.78Å; L32-L35 PolarHBondContact O-N 3.31Å |
| 36 | G | 80.7 | Confident | 85.3 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 21% | 0.206 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -5.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A31 T34 L38 L39 I40 | A31-G36 PolarHBondContact O-N 2.9Å; T34-G36 PolarHBondContact O-N 3.33Å; T34-G36 VanDerWaalsContact O-N 3.1Å; G36-L38 PolarHBondContact O-N 2.91Å; G36-L39 WeakPolarHBondContact O-CB 3.11Å; G36-L39 PolarHBondContact O-N 3.08Å; G36-I40 PolarHBondContact O-N 2.88Å |
| 37 | L | 80 | Confident | 85 | Confident | 122 Ų | 122 | 85.2 Ų | 85.2 | 64% | 0.639 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -55.5 | -38 | 177.8 | -85.1 | 154.7 | 0 | 0 | 0 | 113 | T34 L39 I40 L41 | T34-L37 WeakPolarHBondContact O-CB 3.14Å; T34-L37 WeakPolarHBondContact O-CD1 3.3Å; T34-L37 PolarHBondContact O-N 3.47Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.27Å; L37-I40 PolarHBondContact O-N 3.38Å; L37-L41 PolarHBondContact O-N 3.42Å |
| 38 | L | 84.1 | Confident | 84.9 | Confident | 34 Ų | 34 | 88.6 Ų | 88.6 | 18% | 0.178 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | 176.5 | -172.6 | 67.8 | 0 | 0 | 0 | 112.6 | L30 A31 T34 G36 L41 F42 | L30-L38 HydrophobicContact CB-CD2 3.53Å; L30-L38 HydrophobicContact CD1-CD2 4.48Å; A31-L38 HydrophobicContact CB-CB 4.47Å; T34-L38 WeakPolarHBondContact OG1-CB 3.45Å; T34-L38 PolarHBondContact OG1-N 3.31Å; G36-L38 PolarHBondContact O-N 2.91Å; L38-L41 HydrophobicContact CD1-CD2 4.38Å; L38-L41 PolarHBondContact O-N 2.73Å; L38-F42 HydrophobicContact CD1-CE1 3.89Å; L38-F42 HydrophobicContact CD1-CE2 4.43Å; L38-F42 HydrophobicContact CD1-CZ 3.83Å; L38-F42 HydrophobicContact CD2-CE2 3.98Å; L38-F42 HydrophobicContact CD2-CZ 3.9Å; L38-F42 HydrophobicContact CG-CD2 4.34Å; L38-F42 HydrophobicContact CG-CE1 4.15Å; L38-F42 HydrophobicContact CG-CE2 3.8Å; L38-F42 HydrophobicContact CG-CZ 3.7Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 VanDerWaalsContact O-CG 3.25Å; L38-F42 WeakPolarHBondContact O-CG 3.45Å; L38-F42 PolarHBondContact O-N 2.98Å |
| 39 | L | 82.6 | Confident | 84.7 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 176.7 | -65.4 | 171.4 | 0 | 0 | 0 | 111.4 | A31 G36 L37 F42 H43 | A31-L39 HydrophobicContact CB-CD1 4.02Å; A31-L39 HydrophobicContact CB-CD2 4.13Å; A31-L39 HydrophobicContact CB-CG 3.71Å; G36-L39 WeakPolarHBondContact O-CB 3.11Å; G36-L39 PolarHBondContact O-N 3.08Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.27Å; L39-F42 PolarHBondContact O-N 3.11Å; L39-H43 PolarHBondContact O-N 2.93Å |
| 40 | I | 81.9 | Confident | 84.5 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.1 | -59.2 | 172.1 | 0 | 0 | 0 | 109.9 | G36 L37 F42 H43 W44 L187 I192 | G36-I40 PolarHBondContact O-N 2.88Å; L37-I40 PolarHBondContact O-N 3.38Å; I40-F42 VanDerWaalsContact C-N 3.3Å; I40-F42 PolarHBondContact O-N 3.41Å; I40-H43 WeakPolarHBondContact O-CB 3.44Å; I40-H43 PolarHBondContact O-N 3.17Å; I40-H43 VanDerWaalsContact O-N 3.12Å; I40-W44 HydrophobicContact CG2-CD2 4.11Å; I40-W44 HydrophobicContact CG2-CE3 4.32Å; I40-W44 HydrophobicContact CG2-CH2 4.08Å; I40-W44 HydrophobicContact CG2-CZ2 3.85Å; I40-W44 HydrophobicContact CG2-CZ3 4.3Å; I40-W44 PolarHBondContact O-N 2.82Å; I40-L187 HydrophobicContact CD1-CD2 4.47Å; I40-L187 HydrophobicContact CG1-CD2 3.96Å; I40-I192 HydrophobicContact CD1-CD1 4.37Å; I40-I192 HydrophobicContact CG2-CD1 3.86Å |
| 41 | L | 83.1 | Confident | 84.4 | Confident | 79 Ų | 79 | 77 Ų | 77 | 41% | 0.414 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.5 | -175.9 | 69.4 | 0 | 0 | 0 | 111.6 | L37 L38 H43 W44 R45 | L37-L41 PolarHBondContact O-N 3.42Å; L38-L41 HydrophobicContact CD1-CD2 4.38Å; L38-L41 PolarHBondContact O-N 2.73Å; L41-H43 VanDerWaalsContact C-N 3.33Å; L41-W44 PolarHBondContact O-N 2.64Å; L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 PolarHBondContact O-N 3.17Å |
| 42 | F | 86.1 | Confident | 84.2 | Confident | 22 Ų | 22 | 78.5 Ų | 78.5 | 10% | 0.096 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 175.6 | -72.8 | -11.3 | 0 | 0 | 0 | 113.1 | C27 L38 L39 I40 R45 P46 A49 A52 | C27-F42 HydrophobicContact CB-CE2 4.08Å; L38-F42 HydrophobicContact CD1-CE1 3.89Å; L38-F42 HydrophobicContact CD1-CE2 4.43Å; L38-F42 HydrophobicContact CD1-CZ 3.83Å; L38-F42 HydrophobicContact CD2-CE2 3.98Å; L38-F42 HydrophobicContact CD2-CZ 3.9Å; L38-F42 HydrophobicContact CG-CD2 4.34Å; L38-F42 HydrophobicContact CG-CE1 4.15Å; L38-F42 HydrophobicContact CG-CE2 3.8Å; L38-F42 HydrophobicContact CG-CZ 3.7Å; L38-F42 WeakPolarHBondContact O-CB 3.31Å; L38-F42 VanDerWaalsContact O-CG 3.25Å; L38-F42 WeakPolarHBondContact O-CG 3.45Å; L38-F42 PolarHBondContact O-N 2.98Å; L39-F42 PolarHBondContact O-N 3.11Å; I40-F42 VanDerWaalsContact C-N 3.3Å; I40-F42 PolarHBondContact O-N 3.41Å; F42-R45 CarbonylContact O-C 3.07Å; F42-R45 VanDerWaalsContact O-C 3.3Å; F42-P46 VanDerWaalsContact O-CA 3.29Å; F42-P46 WeakPolarHBondContact O-CA 3.44Å; F42-A49 HydrophobicContact CB-CB 3.53Å; F42-A49 HydrophobicContact CD1-CB 3.74Å; F42-A49 HydrophobicContact CD2-CB 4.06Å; F42-A49 HydrophobicContact CE1-CB 4.46Å; F42-A49 HydrophobicContact CG-CB 3.5Å; F42-A52 HydrophobicContact CE1-CB 4Å; F42-A52 HydrophobicContact CZ-CB 3.71Å |
| 43 | H | 82.6 | Confident | 84.1 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 174.1 | -176.6 | 72.4 | 0 | 0 | 0 | 111.8 | L39 I40 L41 | L39-H43 PolarHBondContact O-N 2.93Å; I40-H43 WeakPolarHBondContact O-CB 3.44Å; I40-H43 PolarHBondContact O-N 3.17Å; I40-H43 VanDerWaalsContact O-N 3.12Å; L41-H43 VanDerWaalsContact C-N 3.33Å |
| 44 | W | 79.3 | Confident | 84.1 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.4 | -28.2 | 178.8 | -65.3 | -16.7 | 0 | 0 | 0 | 114.1 | I40 L41 L187 P189 I192 | I40-W44 HydrophobicContact CG2-CD2 4.11Å; I40-W44 HydrophobicContact CG2-CE3 4.32Å; I40-W44 HydrophobicContact CG2-CH2 4.08Å; I40-W44 HydrophobicContact CG2-CZ2 3.85Å; I40-W44 HydrophobicContact CG2-CZ3 4.3Å; I40-W44 PolarHBondContact O-N 2.82Å; L41-W44 PolarHBondContact O-N 2.64Å; W44-L187 PolarHBondContact NE1-O 3.42Å; W44-P189 HydrophobicContact CH2-CB 4.21Å; W44-P189 HydrophobicContact CH2-CG 4.08Å; W44-P189 HydrophobicContact CZ2-CB 4.05Å; W44-P189 HydrophobicContact CZ2-CG 3.6Å; W44-I192 HydrophobicContact CH2-CD1 4.06Å; W44-I192 HydrophobicContact CZ2-CD1 3.53Å |
| 45 | R | 83.1 | Confident | 84.2 | Confident | 168 Ų | 168 | 76 Ų | 76 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | trans | -128.2 | 75.4 | 179.8 | -67.1 | -66.1 | -168 | 164.3 | 2.1 | 109.9 | L41 F42 R47 L48 A49 | L41-R45 WeakPolarHBondContact O-CB 3.39Å; L41-R45 PolarHBondContact O-N 3.17Å; F42-R45 CarbonylContact O-C 3.07Å; F42-R45 VanDerWaalsContact O-C 3.3Å; R45-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact O-N 3.12Å; R45-L48 HydrophobicContact CB-CB 4.22Å; R45-L48 HydrophobicContact CB-CD1 3.73Å; R45-L48 HydrophobicContact CB-CG 3.97Å; R45-L48 HydrophobicContact CG-CD1 4.16Å; R45-L48 WeakPolarHBondContact O-CB 3.31Å; R45-L48 PolarHBondContact O-N 3.14Å; R45-A49 PolarHBondContact O-N 2.93Å | ||
| 46 | P | 81.7 | Confident | 84.4 | Confident | 55 Ų | 55 | 72 Ų | 72 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -29.6 | -175.3 | 22.4 | -33.4 | 0 | 0 | 0 | 113.1 | F42 L48 A49 V50 V76 | F42-P46 VanDerWaalsContact O-CA 3.29Å; F42-P46 WeakPolarHBondContact O-CA 3.44Å; P46-L48 PolarHBondContact O-N 3.23Å; P46-A49 VanDerWaalsContact O-CB 3.25Å; P46-A49 WeakPolarHBondContact O-CB 3.38Å; P46-A49 PolarHBondContact O-N 3.12Å; P46-A49 VanDerWaalsContact O-N 3.13Å; P46-V50 PolarHBondContact O-N 2.92Å; P46-V76 HydrophobicContact CB-CG2 3.84Å |
| 47 | R | 84.7 | Confident | 84.7 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 172.1 | 177.5 | 171 | 174.2 | -170.1 | 5.2 | 113.3 | R45 A49 V50 L51 L66 | R45-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact O-N 3.12Å; R47-A49 PolarHBondContact O-N 3.32Å; R47-V50 PolarHBondContact O-N 3.27Å; R47-L51 HydrophobicContact CG-CD1 3.93Å; R47-L51 HydrophobicContact CG-CG 4.28Å; R47-L51 WeakPolarHBondContact O-CG 3.4Å; R47-L51 PolarHBondContact O-N 3.47Å; R47-L66 HydrophobicContact CG-CD2 4.28Å |
| 48 | L | 84.9 | Confident | 85 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 176.6 | -68.4 | 177.6 | 0 | 0 | 0 | 110.3 | R45 P46 V50 L51 A52 | R45-L48 HydrophobicContact CB-CB 4.22Å; R45-L48 HydrophobicContact CB-CD1 3.73Å; R45-L48 HydrophobicContact CB-CG 3.97Å; R45-L48 HydrophobicContact CG-CD1 4.16Å; R45-L48 WeakPolarHBondContact O-CB 3.31Å; R45-L48 PolarHBondContact O-N 3.14Å; P46-L48 PolarHBondContact O-N 3.23Å; L48-V50 VanDerWaalsContact C-N 3.35Å; L48-V50 PolarHBondContact O-N 2.83Å; L48-L51 PolarHBondContact O-N 3.08Å; L48-A52 WeakPolarHBondContact O-CB 3.42Å; L48-A52 PolarHBondContact O-N 3.03Å |
| 49 | A | 84.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 2% | 0.017 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F42 R45 P46 R47 R53 | F42-A49 HydrophobicContact CB-CB 3.53Å; F42-A49 HydrophobicContact CD1-CB 3.74Å; F42-A49 HydrophobicContact CD2-CB 4.06Å; F42-A49 HydrophobicContact CE1-CB 4.46Å; F42-A49 HydrophobicContact CG-CB 3.5Å; R45-A49 PolarHBondContact O-N 2.93Å; P46-A49 VanDerWaalsContact O-CB 3.25Å; P46-A49 WeakPolarHBondContact O-CB 3.38Å; P46-A49 PolarHBondContact O-N 3.12Å; P46-A49 VanDerWaalsContact O-N 3.13Å; R47-A49 PolarHBondContact O-N 3.32Å; A49-R53 VanDerWaalsContact O-CB 3.25Å; A49-R53 WeakPolarHBondContact O-CB 3.1Å; A49-R53 WeakPolarHBondContact O-CG 3.46Å; A49-R53 PolarHBondContact O-N 2.87Å; A49-R53 VanDerWaalsContact O-N 3.09Å; A49-R53 PolarHBondContact O-NE 2.84Å |
| 50 | V | 85.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.1 | -47 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | Y17 P46 R47 L48 A52 R53 C54 V64 V76 | Y17-V50 HydrophobicContact CD1-CG1 3.74Å; Y17-V50 HydrophobicContact CD2-CG1 3.75Å; Y17-V50 HydrophobicContact CE1-CG1 4.19Å; Y17-V50 HydrophobicContact CE2-CG1 4.23Å; Y17-V50 HydrophobicContact CG-CG1 3.5Å; P46-V50 PolarHBondContact O-N 2.92Å; R47-V50 PolarHBondContact O-N 3.27Å; L48-V50 VanDerWaalsContact C-N 3.35Å; L48-V50 PolarHBondContact O-N 2.83Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 3.41Å; V50-R53 PolarHBondContact O-N 3.03Å; V50-C54 HydrophobicContact CG1-CB 4.23Å; V50-C54 WeakPolarHBondContact O-CA 3.09Å; V50-C54 WeakPolarHBondContact O-CB 3.49Å; V50-C54 PolarHBondContact O-N 3.01Å; V50-V64 HydrophobicContact CG2-CG1 4.2Å; V50-V76 HydrophobicContact CG2-CB 4.35Å; V50-V76 HydrophobicContact CG2-CG1 3.64Å; V50-V76 HydrophobicContact CG2-CG2 3.68Å |
| 51 | L | 86.4 | Confident | 85.2 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 179 | -68.5 | 173.2 | 0 | 0 | 0 | 112.7 | Y17 R47 L48 | Y17-L51 HydrophobicContact CE1-CD2 4.06Å; R47-L51 HydrophobicContact CG-CD1 3.93Å; R47-L51 HydrophobicContact CG-CG 4.28Å; R47-L51 WeakPolarHBondContact O-CG 3.4Å; R47-L51 PolarHBondContact O-N 3.47Å; L48-L51 PolarHBondContact O-N 3.08Å |
| 52 | A | 86.1 | Confident | 85.4 | Confident | 37 Ų | 37 | 67 Ų | 67 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R23 F42 L48 V50 | R23-A52 WeakPolarHBondContact CB-O 2.92Å; F42-A52 HydrophobicContact CE1-CB 4Å; F42-A52 HydrophobicContact CZ-CB 3.71Å; L48-A52 WeakPolarHBondContact O-CB 3.42Å; L48-A52 PolarHBondContact O-N 3.03Å; V50-A52 VanDerWaalsContact C-N 3.29Å; V50-A52 PolarHBondContact O-N 3.41Å |
| 53 | R | 87.8 | Confident | 85.4 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 28% | 0.275 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -94.8 | -23 | -172.9 | -64.3 | 178.3 | -58.7 | 168.8 | 1.1 | 114.4 | W19 V20 V24 C27 A49 V50 | W19-R53 HydrophobicContact CE3-CB 4.06Å; W19-R53 HydrophobicContact CZ3-CB 3.68Å; W19-R53 HydrophobicContact CZ3-CG 4.28Å; V20-R53 PolarHBondContact N-O 3.05Å; V24-R53 HydrophobicContact CG2-CB 4.1Å; V24-R53 HydrophobicContact CG2-CG 4.5Å; C27-R53 HydrophobicContact CB-CG 4.18Å; A49-R53 VanDerWaalsContact O-CB 3.25Å; A49-R53 WeakPolarHBondContact O-CB 3.1Å; A49-R53 WeakPolarHBondContact O-CG 3.46Å; A49-R53 PolarHBondContact O-N 2.87Å; A49-R53 VanDerWaalsContact O-N 3.09Å; A49-R53 PolarHBondContact O-NE 2.84Å; V50-R53 PolarHBondContact O-N 3.03Å |
| 54 | C | 89.1 | Confident | 85.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 169.2 | -169.2 | -53 | 0 | 0 | 0 | 0 | 112.6 | Y17 K18 R23 V50 | Y17-C54 HydrophobicContact CD1-CB 4.35Å; Y17-C54 HydrophobicContact CG-CB 4.48Å; K18-C54 CarbonylContact O-C 3.3Å; K18-C54 WeakPolarHBondContact O-CA 3.47Å; K18-C54 VanDerWaalsContact O-CB 3.24Å; K18-C54 WeakPolarHBondContact O-CB 3.14Å; R23-C54 PolarHBondContact NH1-O 2.79Å; V50-C54 HydrophobicContact CG1-CB 4.23Å; V50-C54 WeakPolarHBondContact O-CA 3.09Å; V50-C54 WeakPolarHBondContact O-CB 3.49Å; V50-C54 PolarHBondContact O-N 3.01Å |
| 55 | R | 89.8 | Confident | 86.2 | Confident | 180 Ų | 180 | 58.6 Ų | 58.6 | 68% | 0.679 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142.7 | 169.2 | -176.4 | -179.2 | 178.7 | 179.2 | 0.2 | 108.6 | Y17 K18 V20 | Y17-R55 CarbonylContact C-O 3.54Å; Y17-R55 WeakPolarHBondContact CA-O 3.38Å; K18-R55 PolarHBondContact N-O 2.66Å; K18-R55 PolarHBondContact O-N 2.98Å; V20-R55 HydrophobicContact CG2-CB 3.86Å |
| 56 | S | 88.4 | Confident | 86.5 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 137.2 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | G16 | G16-S56 WeakPolarHBondContact O-CA 3.28Å |
| 57 | C | 88 | Confident | 86.7 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 16% | 0.155 | 25% | 0.253 | C | S | . | . | trans | -144.8 | 163.7 | 179.2 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | G16 K18 A62 | G16-C57 CarbonylContact C-O 3.57Å; G16-C57 PolarHBondContact O-N 3.26Å; G16-C57 VanDerWaalsContact O-O 3.11Å; K18-C57 HydrophobicContact CB-CB 4.23Å; C57-A62 VanDerWaalsContact SG-CA 3.52Å | ||
| 58 | P | 86.1 | Confident | 86.6 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | trans | -55.4 | 150.3 | 167.8 | -23.3 | 34.1 | 0 | 0 | 0 | 111.5 | A60 L61 A62 | P58-A60 PolarHBondContact O-N 3.29Å; P58-L61 PolarHBondContact O-N 3.2Å; P58-A62 PolarHBondContact O-N 3.17Å | ||
| 59 | L | 84.9 | Confident | 86.1 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.7 | -37.5 | -179.2 | -65.9 | 171.8 | 0 | 0 | 0 | 111.9 | V14 L61 A62 L65 W125 F132 | V14-L59 HydrophobicContact CB-CD2 4.4Å; V14-L59 HydrophobicContact CG1-CD2 3.68Å; L59-L61 PolarHBondContact O-N 3.03Å; L59-A62 WeakPolarHBondContact O-CB 3.17Å; L59-A62 PolarHBondContact O-N 3.27Å; L59-A62 VanDerWaalsContact O-N 3.16Å; L59-L65 HydrophobicContact CD2-CD2 3.83Å; L59-W125 HydrophobicContact CB-CH2 4.07Å; L59-W125 HydrophobicContact CB-CZ3 3.61Å; L59-F132 HydrophobicContact CB-CE2 4.43Å |
| 60 | A | 82.6 | Confident | 85.1 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -59.9 | -12.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P58 R114 W125 | P58-A60 PolarHBondContact O-N 3.29Å; A60-R114 PolarHBondContact O-NH1 3.31Å; A60-W125 HydrophobicContact CB-CH2 3.62Å; A60-W125 HydrophobicContact CB-CZ2 3.35Å |
| 61 | L | 84.3 | Confident | 84 | Confident | 98 Ų | 98 | 55.4 Ų | 55.4 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -127.4 | 11.3 | -179.9 | -65 | 175 | 0 | 0 | 0 | 112.3 | P58 L59 | P58-L61 PolarHBondContact O-N 3.2Å; L59-L61 PolarHBondContact O-N 3.03Å |
| 62 | A | 86.7 | Confident | 83 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -77.9 | 132 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C57 P58 L59 L65 V79 R114 | C57-A62 VanDerWaalsContact SG-CA 3.52Å; P58-A62 PolarHBondContact O-N 3.17Å; L59-A62 WeakPolarHBondContact O-CB 3.17Å; L59-A62 PolarHBondContact O-N 3.27Å; L59-A62 VanDerWaalsContact O-N 3.16Å; A62-L65 HydrophobicContact CB-CD2 3.68Å; A62-V79 WeakPolarHBondContact O-CG2 3.28Å; A62-R114 PolarHBondContact O-NH2 3.3Å | ||
| 63 | D | 87.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -91.4 | -26.3 | 169 | -52.5 | -38.8 | 0 | 0 | 0 | 110.6 | Y17 K18 W19 V79 | Y17-D63 PolarHBondContact O-N 3.23Å; K18-D63 VanDerWaalsContact CG-OD2 3.23Å; K18-D63 WeakPolarHBondContact CG-OD2 3.26Å; W19-D63 HydrophobicContact CG-CB 4.44Å; W19-D63 PolarHBondContact N-OD2 2.96Å; D63-V79 PolarHBondContact O-N 3.25Å |
| 64 | V | 89.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135.6 | -178 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | Y17 W19 V50 V76 | Y17-V64 PolarHBondContact N-O 3.23Å; Y17-V64 PolarHBondContact O-N 2.73Å; W19-V64 HydrophobicContact CZ2-CG2 3.83Å; V50-V64 HydrophobicContact CG2-CG1 4.2Å; V64-V76 HydrophobicContact CG1-CG1 3.53Å |
| 65 | L | 89 | Confident | 81.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.3 | 176.1 | -60.8 | 175.8 | 0 | 0 | 0 | 110.1 | V14 Q15 L59 A62 L67 V76 V77 V79 Y116 F132 | V14-L65 HydrophobicContact CG1-CB 4.4Å; V14-L65 HydrophobicContact CG1-CD1 4.36Å; V14-L65 HydrophobicContact CG1-CD2 4.1Å; Q15-L65 WeakPolarHBondContact O-CA 3.42Å; L59-L65 HydrophobicContact CD2-CD2 3.83Å; A62-L65 HydrophobicContact CB-CD2 3.68Å; L65-L67 HydrophobicContact CB-CD2 4.48Å; L65-V76 WeakPolarHBondContact O-CA 3.43Å; L65-V77 PolarHBondContact N-O 3.3Å; L65-V77 PolarHBondContact O-N 2.94Å; L65-V79 HydrophobicContact CD1-CG2 3.83Å; L65-V79 HydrophobicContact CD2-CG2 4.36Å; L65-V79 HydrophobicContact CG-CG2 3.69Å; L65-Y116 HydrophobicContact CD1-CD1 3.27Å; L65-Y116 HydrophobicContact CD1-CE1 3.37Å; L65-Y116 HydrophobicContact CD1-CG 4.03Å; L65-F132 HydrophobicContact CD1-CD2 3.97Å; L65-F132 HydrophobicContact CD1-CE2 3.89Å; L65-F132 HydrophobicContact CD1-CG 4.48Å; L65-F132 HydrophobicContact CD1-CZ 4.34Å; L65-F132 HydrophobicContact CD2-CE2 4.21Å |
| 66 | L | 88.4 | Confident | 81.7 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.5 | 167.5 | -174.8 | 73.1 | 0 | 0 | 0 | 107.7 | Q15 Y17 R47 Q74 H75 V76 | Q15-L66 HydrophobicContact CB-CB 4.37Å; Q15-L66 PolarHBondContact N-O 3.15Å; Q15-L66 PolarHBondContact O-N 3.09Å; Y17-L66 HydrophobicContact CD2-CB 4.16Å; Y17-L66 HydrophobicContact CE2-CB 3.68Å; Y17-L66 HydrophobicContact CE2-CD2 4.23Å; R47-L66 HydrophobicContact CG-CD2 4.28Å; L66-Q74 HydrophobicContact CD1-CB 4.29Å; L66-H75 CarbonylContact C-O 3.6Å; L66-H75 WeakPolarHBondContact CA-O 3.32Å; L66-V76 HydrophobicContact CD1-CG2 3.69Å |
| 67 | L | 87.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.3 | 177.8 | -54.5 | 175.6 | 0 | 0 | 0 | 109.1 | V14 L65 Q74 H75 V77 Y116 Y118 | V14-L67 HydrophobicContact CB-CD2 4.16Å; V14-L67 HydrophobicContact CG1-CD2 3.76Å; V14-L67 HydrophobicContact CG2-CD2 3.6Å; L65-L67 HydrophobicContact CB-CD2 4.48Å; L67-Q74 CarbonylContact O-C 3.51Å; L67-Q74 WeakPolarHBondContact O-CA 3.42Å; L67-H75 HydrophobicContact CB-CB 4.33Å; L67-H75 PolarHBondContact N-O 3.49Å; L67-H75 PolarHBondContact O-N 2.95Å; L67-V77 HydrophobicContact CD1-CB 4.41Å; L67-V77 HydrophobicContact CD1-CG2 3.51Å; L67-V77 HydrophobicContact CG-CG2 4.22Å; L67-Y116 HydrophobicContact CD1-CE2 4.19Å; L67-Y118 HydrophobicContact CD1-CD1 4.32Å; L67-Y118 HydrophobicContact CD1-CD2 3.26Å; L67-Y118 HydrophobicContact CD1-CE2 3.69Å; L67-Y118 HydrophobicContact CD1-CG 3.61Å |
| 68 | R | 81.7 | Confident | 81.6 | Confident | 121 Ų | 121 | 53.8 Ų | 53.8 | 46% | 0.457 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.5 | 170.9 | -173.4 | -178.5 | -170.8 | -174.8 | -3.3 | 109.7 | D13 Q73 Q74 | D13-R68 HydrophobicContact CB-CB 4.17Å; D13-R68 PolarHBondContact N-O 3.24Å; D13-R68 VanDerWaalsContact N-O 3.15Å; D13-R68 PolarHBondContact O-N 3.11Å; R68-Q73 WeakPolarHBondContact CA-O 3.31Å; R68-Q74 HydrophobicContact CG-CG 4.48Å |
| 69 | D | 73.8 | Confident | 81.7 | Confident | 35 Ų | 35 | 50.4 Ų | 50.4 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | trans | -76.9 | 161.7 | 177.9 | -177.1 | 17.3 | 0 | 0 | 0 | 111 | F71 G72 Q73 | D69-F71 PolarHBondContact O-N 3.1Å; D69-F71 VanDerWaalsContact O-N 3.16Å; D69-F71 WeakPolarHBondContact OD2-CD2 3.26Å; D69-G72 WeakPolarHBondContact O-CA 3.17Å; D69-G72 PolarHBondContact O-N 3.03Å; D69-Q73 PolarHBondContact N-O 3.07Å; D69-Q73 VanDerWaalsContact N-O 3.07Å | ||
| 70 | S | 63.8 | Low | 81.9 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -32.5 | 172.3 | 60.8 | 0 | 0 | 0 | 0 | 114 | G72 | S70-G72 VanDerWaalsContact C-N 3.26Å; S70-G72 PolarHBondContact O-N 3.39Å |
| 71 | F | 63.1 | Low | 82 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 46% | 0.456 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 1.2 | 175.5 | -60.3 | -73.8 | 0 | 0 | 0 | 114 | D69 Q73 Q367 P368 | D69-F71 PolarHBondContact O-N 3.1Å; D69-F71 VanDerWaalsContact O-N 3.16Å; D69-F71 WeakPolarHBondContact OD2-CD2 3.26Å; F71-Q73 VanDerWaalsContact C-N 3.31Å; F71-Q73 PolarHBondContact O-N 3.3Å; F71-Q367 HydrophobicContact CE2-CB 4.34Å; F71-Q367 HydrophobicContact CE2-CG 3.88Å; F71-Q367 HydrophobicContact CZ-CB 4.47Å; F71-Q367 VanDerWaalsContact CZ-CD 3.46Å; F71-Q367 HydrophobicContact CZ-CG 4.16Å; F71-P368 HydrophobicContact CB-CG 4.06Å; F71-P368 HydrophobicContact CD2-CG 4.31Å; F71-P368 HydrophobicContact CG-CG 4.12Å |
| 72 | G | 65.8 | Low | 81.9 | Confident | 35 Ų | 35 | 53 Ų | 53 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 77.8 | 9.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D69 S70 | D69-G72 WeakPolarHBondContact O-CA 3.17Å; D69-G72 PolarHBondContact O-N 3.03Å; S70-G72 VanDerWaalsContact C-N 3.26Å; S70-G72 PolarHBondContact O-N 3.39Å |
| 73 | Q | 72.5 | Confident | 81.5 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | trans | -73 | 150.4 | 170.4 | -66.9 | -161.6 | -15.1 | 0 | 0 | 110.7 | R68 D69 F71 P368 | R68-Q73 WeakPolarHBondContact CA-O 3.31Å; D69-Q73 PolarHBondContact N-O 3.07Å; D69-Q73 VanDerWaalsContact N-O 3.07Å; F71-Q73 VanDerWaalsContact C-N 3.31Å; F71-Q73 PolarHBondContact O-N 3.3Å; Q73-P368 VanDerWaalsContact NE2-CB 3.3Å | ||
| 74 | Q | 81.5 | Confident | 80.4 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123.5 | -175.1 | -63.3 | -172.8 | -39.6 | 0 | 0 | 109.5 | L66 L67 R68 | L66-Q74 HydrophobicContact CD1-CB 4.29Å; L67-Q74 CarbonylContact O-C 3.51Å; L67-Q74 WeakPolarHBondContact O-CA 3.42Å; R68-Q74 HydrophobicContact CG-CG 4.48Å |
| 75 | H | 83.9 | Confident | 79 | Confident | 63 Ų | 63 | 65 Ų | 65 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.4 | -179.5 | -61 | -88.8 | 0 | 0 | 0 | 109.8 | L66 L67 Y118 | L66-H75 CarbonylContact C-O 3.6Å; L66-H75 WeakPolarHBondContact CA-O 3.32Å; L67-H75 HydrophobicContact CB-CB 4.33Å; L67-H75 PolarHBondContact N-O 3.49Å; L67-H75 PolarHBondContact O-N 2.95Å; H75-Y118 HydrophobicContact CB-CE2 3.92Å; H75-Y118 AromaticContact CG-CE2 3.99Å |
| 76 | V | 86 | Confident | 76.9 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 32% | 0.321 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.4 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | P46 V50 V64 L65 L66 | P46-V76 HydrophobicContact CB-CG2 3.84Å; V50-V76 HydrophobicContact CG2-CB 4.35Å; V50-V76 HydrophobicContact CG2-CG1 3.64Å; V50-V76 HydrophobicContact CG2-CG2 3.68Å; V64-V76 HydrophobicContact CG1-CG1 3.53Å; L65-V76 WeakPolarHBondContact O-CA 3.43Å; L66-V76 HydrophobicContact CD1-CG2 3.69Å |
| 77 | V | 87.5 | Confident | 75 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 12% | 0.121 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.3 | -179.8 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | L65 L67 Y116 L117 Y118 | L65-V77 PolarHBondContact N-O 3.3Å; L65-V77 PolarHBondContact O-N 2.94Å; L67-V77 HydrophobicContact CD1-CB 4.41Å; L67-V77 HydrophobicContact CD1-CG2 3.51Å; L67-V77 HydrophobicContact CG-CG2 4.22Å; V77-Y116 HydrophobicContact CG1-CD2 3.91Å; V77-Y116 HydrophobicContact CG1-CG 4.18Å; V77-L117 WeakPolarHBondContact CG1-O 3.38Å; V77-Y118 HydrophobicContact CG2-CD2 4Å |
| 78 | E | 88.3 | Confident | 72.9 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140.1 | 176.4 | -64.2 | -176.6 | 170.1 | 0 | 0 | 110.1 | ||
| 79 | V | 88.1 | Confident | 70.9 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 12% | 0.121 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 124.2 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | A62 D63 L65 R114 F132 | A62-V79 WeakPolarHBondContact O-CG2 3.28Å; D63-V79 PolarHBondContact O-N 3.25Å; L65-V79 HydrophobicContact CD1-CG2 3.83Å; L65-V79 HydrophobicContact CD2-CG2 4.36Å; L65-V79 HydrophobicContact CG-CG2 3.69Å; V79-R114 HydrophobicContact CG1-CB 4.35Å; V79-F132 HydrophobicContact CG1-CE1 4.32Å; V79-F132 HydrophobicContact CG1-CZ 4.06Å; V79-F132 HydrophobicContact CG2-CZ 4.21Å |
| 80 | L | 88.4 | Confident | 69.5 | Low | 74 Ų | 74 | 77 Ų | 77 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 149 | 177.1 | -57.9 | 175 | 0 | 0 | 0 | 110 | R114 Y115 | L80-R114 WeakPolarHBondContact O-CA 3.23Å; L80-Y115 HydrophobicContact CB-CD1 4.46Å; L80-Y115 HydrophobicContact CB-CD2 4.48Å; L80-Y115 HydrophobicContact CB-CE1 4.09Å; L80-Y115 HydrophobicContact CB-CE2 4.13Å; L80-Y115 HydrophobicContact CD1-CE2 3.8Å; L80-Y115 PolarHBondContact N-O 2.98Å; L80-Y115 PolarHBondContact O-N 2.95Å |
| 81 | T | 85.2 | Confident | 68.5 | Low | 90 Ų | 90 | 77.2 Ų | 77.2 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.7 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | L113 R114 | T81-L113 CarbonylContact C-O 3.5Å; T81-L113 WeakPolarHBondContact CA-O 3.49Å; T81-R114 HydrophobicContact CG2-CG 3.85Å |
| 82 | E | 81.9 | Confident | 67.5 | Low | 71 Ų | 71 | 77.8 Ų | 77.8 | 33% | 0.332 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134 | 177.6 | -173 | 169.2 | -169.2 | 0 | 0 | 109.3 | L112 L113 Y115 R122 | E82-L112 CarbonylContact O-C 3.57Å; E82-L113 HydrophobicContact CB-CB 4.47Å; E82-L113 PolarHBondContact N-O 2.86Å; E82-L113 PolarHBondContact O-N 2.84Å; E82-Y115 HydrophobicContact CB-CE1 4.02Å; E82-Y115 WeakPolarHBondContact OE2-CE1 3.35Å; E82-R122 IonicContact OE2-NH2 2.66Å; E82-R122 PolarHBondContact OE2-NH2 3.05Å |
| 83 | E | 77.6 | Confident | 66.3 | Low | 125 Ų | 125 | 77.3 Ų | 77.3 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.4 | 178 | -69.9 | -171.7 | -167.5 | 0 | 0 | 109.7 | K110 L112 | E83-K110 IonicContact OE1-NZ 3.95Å; E83-K110 IonicContact OE2-NZ 2.8Å; E83-K110 PolarHBondContact OE2-NZ 3.34Å; E83-L112 HydrophobicContact CG-CD2 3.68Å |
| 84 | M | 66.1 | Low | 64.6 | Low | 34 Ų | 34 | 80.4 Ų | 80.4 | 17% | 0.167 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 144.1 | 176 | -59.4 | -172.8 | 69.9 | 0 | 0 | 111.4 | T111 L113 W161 V165 | M84-T111 PolarHBondContact N-O 2.98Å; M84-L113 HydrophobicContact CG-CB 3.99Å; M84-L113 HydrophobicContact SD-CB 3.87Å; M84-L113 HydrophobicContact SD-CD1 4.42Å; M84-W161 HydrophobicContact CE-CG 4.48Å; M84-V165 HydrophobicContact CE-CG2 4.3Å |
| 85 | E | 59.2 | Low | 62.6 | Low | 153 Ų | 153 | 83.4 Ų | 83.4 | 72% | 0.715 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 140 | 176.9 | -69.4 | -173.5 | 163.5 | 0 | 0 | 112 | G87 S88 | E85-G87 PolarHBondContact O-N 2.86Å; E85-S88 PolarHBondContact O-N 2.88Å; E85-S88 PolarHBondContact O-OG 2.81Å |
| 86 | A | 45.7 | Very low | 60.4 | Low | 98 Ų | 98 | 85.3 Ų | 85.3 | 81% | 0.81 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 87 | G | 47.1 | Very low | 58 | Low | 65 Ų | 65 | 91.4 Ų | 91.4 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | E85 | E85-G87 PolarHBondContact O-N 2.86Š|
| 88 | S | 43.2 | Very low | 55.4 | Low | 25 Ų | 25 | 97.1 Ų | 97.1 | 18% | 0.175 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -93.9 | 7 | -174.5 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | E85 | E85-S88 PolarHBondContact O-N 2.88Å; E85-S88 PolarHBondContact O-OG 2.81Å |
| 89 | L | 41.1 | Very low | 52.8 | Low | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -81.7 | -32.4 | -171.8 | -122.9 | 115.2 | 0 | 0 | 0 | 113.8 | Q91 L92 G93 T111 | L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 2.7Å; L89-L92 PolarHBondContact O-N 2.81Å; L89-G93 PolarHBondContact O-N 2.86Å; L89-T111 HydrophobicContact CD1-CG2 4.09Å |
| 90 | D | 44.6 | Very low | 50.1 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.4 | -28.6 | -171.6 | -78.4 | -13.1 | 0 | 0 | 0 | 113.4 | Q94 | D90-Q94 WeakPolarHBondContact O-CG 3.45Å; D90-Q94 PolarHBondContact O-N 3.32Å |
| 91 | Q | 42.6 | Very low | 47.3 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 43% | 0.425 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -81.6 | -24.4 | 178.1 | -77.6 | -176 | -11.3 | 0 | 0 | 113.7 | L89 E158 | L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 2.7Å; Q91-E158 PolarHBondContact NE2-OE2 2.92Å |
| 92 | L | 41.5 | Very low | 44.8 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -78.1 | -33.1 | 169.3 | -138.1 | 95 | 0 | 0 | 0 | 110.8 | L89 W161 | L89-L92 PolarHBondContact O-N 2.81Å; L92-W161 HydrophobicContact CD1-CZ2 3.76Å |
| 93 | G | 40.3 | Very low | 42.8 | Very low | 25 Ų | 25 | 119.6 Ų | 119.6 | 26% | 0.258 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -77 | -21.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | L89 L95 E96 | L89-G93 PolarHBondContact O-N 2.86Å; G93-L95 PolarHBondContact O-N 2.91Å; G93-L95 VanDerWaalsContact O-N 3.15Å; G93-E96 WeakPolarHBondContact O-CA 3.2Å; G93-E96 WeakPolarHBondContact O-CB 3.46Å; G93-E96 PolarHBondContact O-N 3.13Å |
| 94 | Q | 36.5 | Very low | 40.7 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -8.6 | 173.3 | -87.6 | 178.1 | -6.3 | 0 | 0 | 114.2 | D90 | D90-Q94 WeakPolarHBondContact O-CG 3.45Å; D90-Q94 PolarHBondContact O-N 3.32Å |
| 95 | L | 40 | Very low | 39.1 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 67% | 0.665 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 3.3 | 166.2 | -75.3 | 161.5 | 0 | 0 | 0 | 112.8 | G93 R128 | G93-L95 PolarHBondContact O-N 2.91Å; G93-L95 VanDerWaalsContact O-N 3.15Å; L95-R128 VanDerWaalsContact CB-NH2 3.27Å; L95-R128 PolarHBondContact O-NH2 3.04Å |
| 96 | E | 36.6 | Very low | 37.9 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 48% | 0.481 | 68% | 0.679 | S | S | . | * | trans | -107.6 | -1 | -177.2 | -72.3 | -161.5 | 125 | 0 | 0 | 114.8 | G93 D98 R100 | G93-E96 WeakPolarHBondContact O-CA 3.2Å; G93-E96 WeakPolarHBondContact O-CB 3.46Å; G93-E96 PolarHBondContact O-N 3.13Å; E96-D98 VanDerWaalsContact C-N 3.26Å; E96-D98 PolarHBondContact O-N 3.25Å; E96-R100 IonicContact OE1-NH2 2.74Å; E96-R100 PolarHBondContact OE1-NH2 3.24Å; E96-R100 IonicContact OE2-NH2 3.81Å | ||
| 97 | E | 35.6 | Very low | 37.3 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -82.1 | 74.2 | 172.1 | -74.3 | -161.2 | 163.2 | 0 | 0 | 111.6 | ||||
| 98 | D | 33.9 | Very low | 36.7 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -162.2 | 118.2 | 137.6 | -99.1 | -21.8 | 0 | 0 | 0 | 107.6 | E96 | E96-D98 VanDerWaalsContact C-N 3.26Å; E96-D98 PolarHBondContact O-N 3.25Å |
| 99 | W | 33.3 | Very low | 36.7 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | trans | 83.3 | 75 | 176.2 | -45.1 | 96 | 0 | 0 | 0 | 118.1 | ||||
| 100 | R | 30.9 | Very low | 37.1 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | -130.2 | 100.6 | 142.5 | -69.9 | -165.6 | -161 | -161.1 | 10.9 | 111.2 | E96 | E96-R100 IonicContact OE1-NH2 2.74Å; E96-R100 PolarHBondContact OE1-NH2 3.24Å; E96-R100 IonicContact OE2-NH2 3.81Å | ||
| 101 | D | 29.6 | Very low | 37.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 84% | 0.84 | 70% | 0.7 | S | S | * | * | trans | -87.6 | 136.3 | 158.6 | -123.3 | -16.9 | 0 | 0 | 0 | 109.1 | ||||
| 102 | T | 32.8 | Very low | 39.4 | Very low | 121 Ų | 121 | 146 Ų | 146 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 72.1 | 104.7 | 164.9 | 17.9 | 0 | 0 | 0 | 0 | 120.9 | ||
| 103 | V | 41.1 | Very low | 41.4 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 79% | 0.788 | 68% | 0.678 | S | S | * | * | trans | 51.8 | 99.1 | 134.8 | -171.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 104 | Q | 32.8 | Very low | 43.7 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | trans | -137.4 | 135.3 | 149 | -73.9 | -170.5 | -13.2 | 0 | 0 | 111.4 | ||||
| 105 | L | 33.3 | Very low | 46.2 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 86% | 0.859 | 65% | 0.647 | S | S | * | * | trans | -51.2 | 134 | -179 | -77.9 | 101.7 | 0 | 0 | 0 | 112.2 | R107 | L105-R107 PolarHBondContact O-N 3.26Š| ||
| 106 | H | 34.4 | Very low | 48.6 | Very low | 194 Ų | 194 | 131 Ų | 131 | 90% | 0.898 | 62% | 0.617 | S | S | * | * | trans | -56.3 | 98.4 | 162.8 | -102.1 | 58.4 | 0 | 0 | 0 | 109.7 | ||||
| 107 | R | 31.5 | Very low | 50.9 | Low | 202 Ų | 202 | 130.4 Ų | 130.4 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | trans | -105.7 | 118.4 | 154.2 | -153.3 | 178.3 | -165 | 177.3 | 4.3 | 104.3 | L105 E109 | L105-R107 PolarHBondContact O-N 3.26Å; R107-E109 HydrophobicContact CB-CG 4.4Å; R107-E109 HydrophobicContact CG-CG 4.46Å; R107-E109 PolarHBondContact O-N 3.03Å | ||
| 108 | E | 36.3 | Very low | 53.3 | Low | 191 Ų | 191 | 122.4 Ų | 122.4 | 89% | 0.893 | 58% | 0.578 | S | S | * | * | trans | -62.7 | 76.3 | 169.9 | -70.7 | 176.7 | 164.5 | 0 | 0 | 108.5 | K110 | E108-K110 PolarHBondContact O-N 3.44Š| ||
| 109 | E | 41.8 | Very low | 55.4 | Low | 145 Ų | 145 | 118.6 Ų | 118.6 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | trans | -80 | 100.5 | 168.7 | -76.1 | -171.9 | 172.7 | 0 | 0 | 106.5 | R107 T111 | R107-E109 HydrophobicContact CB-CG 4.4Å; R107-E109 HydrophobicContact CG-CG 4.46Å; R107-E109 PolarHBondContact O-N 3.03Å; E109-T111 PolarHBondContact O-N 3.3Å; E109-T111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | K | 49.3 | Very low | 57.5 | Low | 140 Ų | 140 | 108.3 Ų | 108.3 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | trans | -46.8 | 118.9 | 164.9 | -68.1 | -179.1 | 168.9 | -165.9 | 0 | 108.2 | E83 E108 L112 | E83-K110 IonicContact OE1-NZ 3.95Å; E83-K110 IonicContact OE2-NZ 2.8Å; E83-K110 PolarHBondContact OE2-NZ 3.34Å; E108-K110 PolarHBondContact O-N 3.44Å; K110-L112 PolarHBondContact O-N 2.78Å; K110-L112 VanDerWaalsContact O-N 3.14Å | ||
| 111 | T | 61.3 | Low | 60.1 | Low | 60 Ų | 60 | 99.9 Ų | 99.9 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | trans | -68.7 | 112.8 | 179.1 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | M84 L89 E109 | M84-T111 PolarHBondContact N-O 2.98Å; L89-T111 HydrophobicContact CD1-CG2 4.09Å; E109-T111 PolarHBondContact O-N 3.3Å; E109-T111 VanDerWaalsContact O-N 3.09Å | ||
| 112 | L | 75.8 | Confident | 62.8 | Low | 91 Ų | 91 | 93.3 Ų | 93.3 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 114.1 | 178.4 | -69.6 | 168.1 | 0 | 0 | 0 | 108.8 | E82 E83 K110 R114 | E82-L112 CarbonylContact O-C 3.57Å; E83-L112 HydrophobicContact CG-CD2 3.68Å; K110-L112 PolarHBondContact O-N 2.78Å; K110-L112 VanDerWaalsContact O-N 3.14Å; L112-R114 PolarHBondContact O-N 2.89Å |
| 113 | L | 82.9 | Confident | 65.4 | Low | 16 Ų | 16 | 89 Ų | 89 | 8% | 0.084 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.5 | 170.3 | -177.8 | 68.5 | 0 | 0 | 0 | 108.8 | T81 E82 M84 Y115 V124 S164 | T81-L113 CarbonylContact C-O 3.5Å; T81-L113 WeakPolarHBondContact CA-O 3.49Å; E82-L113 HydrophobicContact CB-CB 4.47Å; E82-L113 PolarHBondContact N-O 2.86Å; E82-L113 PolarHBondContact O-N 2.84Å; M84-L113 HydrophobicContact CG-CB 3.99Å; M84-L113 HydrophobicContact SD-CB 3.87Å; M84-L113 HydrophobicContact SD-CD1 4.42Å; L113-Y115 HydrophobicContact CD2-CD1 4.42Å; L113-Y115 HydrophobicContact CG-CD1 4.4Å; L113-V124 HydrophobicContact CD1-CG1 3.56Å; L113-V124 HydrophobicContact CD1-CG2 4.4Å; L113-S164 WeakPolarHBondContact CD2-O 3.37Å |
| 114 | R | 87.6 | Confident | 67.7 | Low | 49 Ų | 49 | 83.1 Ų | 83.1 | 19% | 0.185 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.4 | 178.6 | -69.1 | 179.8 | 69.8 | -173.6 | -2.1 | 110.6 | A60 A62 V79 L80 T81 L112 W125 | A60-R114 PolarHBondContact O-NH1 3.31Å; A62-R114 PolarHBondContact O-NH2 3.3Å; V79-R114 HydrophobicContact CG1-CB 4.35Å; L80-R114 WeakPolarHBondContact O-CA 3.23Å; T81-R114 HydrophobicContact CG2-CG 3.85Å; L112-R114 PolarHBondContact O-N 2.89Å; R114-W125 HydrophobicContact CB-CB 4.01Å; R114-W125 PolarHBondContact O-N 3.08Å |
| 115 | Y | 89.3 | Confident | 70.2 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 15% | 0.153 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 164 | -179.3 | 70.7 | -85.7 | 0 | 0 | 0 | 112.1 | L80 E82 L113 L117 R122 Y123 | L80-Y115 HydrophobicContact CB-CD1 4.46Å; L80-Y115 HydrophobicContact CB-CD2 4.48Å; L80-Y115 HydrophobicContact CB-CE1 4.09Å; L80-Y115 HydrophobicContact CB-CE2 4.13Å; L80-Y115 HydrophobicContact CD1-CE2 3.8Å; L80-Y115 PolarHBondContact N-O 2.98Å; L80-Y115 PolarHBondContact O-N 2.95Å; E82-Y115 HydrophobicContact CB-CE1 4.02Å; E82-Y115 WeakPolarHBondContact OE2-CE1 3.35Å; L113-Y115 HydrophobicContact CD2-CD1 4.42Å; L113-Y115 HydrophobicContact CG-CD1 4.4Å; Y115-L117 HydrophobicContact CE2-CG 4.41Å; Y115-R122 HydrophobicContact CD2-CG 3.81Å; Y115-R122 VanDerWaalsContact CD2-NE 3.27Å; Y115-R122 HydrophobicContact CG-CG 4.3Å; Y115-Y123 CarbonylContact C-O 3.47Å; Y115-Y123 WeakPolarHBondContact CA-O 3.43Å; Y115-Y123 WeakPolarHBondContact CB-O 3.29Å |
| 116 | Y | 90.2 | Very high | 72.5 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 161.3 | 166.4 | 69.7 | -96.5 | 0 | 0 | 0 | 110.6 | L65 L67 V77 Y123 F132 | L65-Y116 HydrophobicContact CD1-CD1 3.27Å; L65-Y116 HydrophobicContact CD1-CE1 3.37Å; L65-Y116 HydrophobicContact CD1-CG 4.03Å; L67-Y116 HydrophobicContact CD1-CE2 4.19Å; V77-Y116 HydrophobicContact CG1-CD2 3.91Å; V77-Y116 HydrophobicContact CG1-CG 4.18Å; Y116-Y123 HydrophobicContact CD2-CD2 4.11Å; Y116-Y123 HydrophobicContact CD2-CG 4.39Å; Y116-Y123 HydrophobicContact CE1-CG 4.11Å; Y116-Y123 HydrophobicContact CE2-CD1 4.43Å; Y116-Y123 AromaticContact CE2-CD2 3.45Å; Y116-Y123 HydrophobicContact CE2-CD2 3.45Å; Y116-Y123 VanDerWaalsContact CE2-CD2 3.45Å; Y116-Y123 HydrophobicContact CE2-CE2 4.16Å; Y116-Y123 AromaticContact CE2-CG 3.62Å; Y116-Y123 HydrophobicContact CE2-CG 3.62Å; Y116-Y123 AromaticContact CZ-CD1 3.97Å; Y116-Y123 AromaticContact CZ-CD2 3.82Å; Y116-Y123 AromaticContact CZ-CG 3.46Å; Y116-Y123 VanDerWaalsContact CZ-CG 3.46Å; Y116-Y123 PolarHBondContact N-O 2.93Å; Y116-Y123 PolarHBondContact O-N 2.74Å; Y116-Y123 WeakPolarHBondContact OH-CD1 3.41Å; Y116-F132 HydrophobicContact CD1-CB 4.33Å; Y116-F132 AromaticContact CD1-CD1 3.71Å; Y116-F132 HydrophobicContact CD1-CD1 3.71Å; Y116-F132 HydrophobicContact CD1-CE1 4.11Å; Y116-F132 AromaticContact CD1-CG 3.95Å; Y116-F132 HydrophobicContact CD1-CG 3.95Å; Y116-F132 HydrophobicContact CE1-CB 3.51Å; Y116-F132 AromaticContact CE1-CD1 3.78Å; Y116-F132 HydrophobicContact CE1-CD1 3.78Å; Y116-F132 HydrophobicContact CE1-CD2 4.16Å; Y116-F132 AromaticContact CE1-CG 3.56Å; Y116-F132 HydrophobicContact CE1-CG 3.56Å |
| 117 | L | 86.2 | Confident | 74.6 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 47% | 0.471 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.1 | 176.2 | -65.4 | 169.7 | 0 | 0 | 0 | 109.2 | V77 Y115 L121 R122 | V77-L117 WeakPolarHBondContact CG1-O 3.38Å; Y115-L117 HydrophobicContact CE2-CG 4.41Å; L117-L121 WeakPolarHBondContact CA-O 3.1Å; L117-R122 HydrophobicContact CD2-CB 3.91Å; L117-R122 HydrophobicContact CD2-CG 4.07Å |
| 118 | Y | 85.1 | Confident | 76.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 126.6 | 174.2 | -178.1 | -101.6 | 0 | 0 | 0 | 109.5 | M12 L67 H75 V77 G120 L121 | M12-Y118 HydrophobicContact CE-CD1 3.79Å; M12-Y118 HydrophobicContact CE-CE1 3.5Å; M12-Y118 VanDerWaalsContact CE-CE1 3.5Å; M12-Y118 HydrophobicContact SD-CD1 4.1Å; M12-Y118 HydrophobicContact SD-CE1 3.75Å; L67-Y118 HydrophobicContact CD1-CD1 4.32Å; L67-Y118 HydrophobicContact CD1-CD2 3.26Å; L67-Y118 HydrophobicContact CD1-CE2 3.69Å; L67-Y118 HydrophobicContact CD1-CG 3.61Å; H75-Y118 HydrophobicContact CB-CE2 3.92Å; H75-Y118 AromaticContact CG-CE2 3.99Å; V77-Y118 HydrophobicContact CG2-CD2 4Å; Y118-G120 PolarHBondContact O-N 3.42Å; Y118-G120 VanDerWaalsContact O-N 3.09Å; Y118-L121 PolarHBondContact N-O 2.86Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 PolarHBondContact O-N 3.05Å |
| 119 | E | 79.2 | Confident | 78.4 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 28.7 | -176.9 | -64.5 | 176.8 | -179.9 | 0 | 0 | 114.4 | L121 S361 Y365 | E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.37Å; E119-S361 WeakPolarHBondContact O-CB 3.41Å; E119-S361 PolarHBondContact O-OG 2.81Å; E119-Y365 VanDerWaalsContact CA-CE2 3.42Å; E119-Y365 HydrophobicContact CB-CD2 3.65Å; E119-Y365 HydrophobicContact CB-CE2 4.1Å; E119-Y365 HydrophobicContact CB-CG 4.06Å; E119-Y365 HydrophobicContact CG-CD1 4.31Å; E119-Y365 HydrophobicContact CG-CD2 3.9Å; E119-Y365 HydrophobicContact CG-CG 3.76Å; E119-Y365 WeakPolarHBondContact O-CE2 3.37Å |
| 120 | G | 77.2 | Confident | 80.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 23% | 0.227 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | -10 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y118 F352 | Y118-G120 PolarHBondContact O-N 3.42Å; Y118-G120 VanDerWaalsContact O-N 3.09Å; G120-F352 WeakPolarHBondContact O-CB 3.31Å; G120-F352 WeakPolarHBondContact O-CD2 3.36Å; G120-F352 WeakPolarHBondContact O-CG 3.24Å |
| 121 | L | 83.9 | Confident | 81.8 | Confident | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141 | 177 | -60.3 | 170.9 | 0 | 0 | 0 | 111.1 | L117 Y118 E119 Y123 F352 F353 | L117-L121 WeakPolarHBondContact CA-O 3.1Å; Y118-L121 PolarHBondContact N-O 2.86Å; Y118-L121 WeakPolarHBondContact O-CB 3.32Å; Y118-L121 PolarHBondContact O-N 3.05Å; E119-L121 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 3.37Å; L121-Y123 HydrophobicContact CB-CE2 3.87Å; L121-F352 HydrophobicContact CD2-CB 3.94Å; L121-F353 HydrophobicContact CB-CE1 4.45Å; L121-F353 HydrophobicContact CB-CZ 4.39Å; L121-F353 HydrophobicContact CD2-CD1 3.83Å; L121-F353 HydrophobicContact CD2-CE1 3.79Å; L121-F353 HydrophobicContact CD2-CG 4.3Å; L121-F353 HydrophobicContact CD2-CZ 4.22Å |
| 122 | R | 87.7 | Confident | 83 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.2 | 177.7 | -164.9 | 175.6 | -172.3 | 178.7 | 1.3 | 110.4 | E82 Y115 L117 V124 V135 S164 V165 G167 F353 | E82-R122 IonicContact OE2-NH2 2.66Å; E82-R122 PolarHBondContact OE2-NH2 3.05Å; Y115-R122 HydrophobicContact CD2-CG 3.81Å; Y115-R122 VanDerWaalsContact CD2-NE 3.27Å; Y115-R122 HydrophobicContact CG-CG 4.3Å; L117-R122 HydrophobicContact CD2-CB 3.91Å; L117-R122 HydrophobicContact CD2-CG 4.07Å; R122-V124 HydrophobicContact CG-CG2 4.48Å; R122-V135 HydrophobicContact CB-CG2 3.97Å; R122-V135 HydrophobicContact CG-CG2 4.02Å; R122-V135 WeakPolarHBondContact O-CG2 3.49Å; R122-V135 PolarHBondContact O-N 2.95Å; R122-S164 VanDerWaalsContact CZ-O 3.28Å; R122-S164 PolarHBondContact NH1-O 3.4Å; R122-S164 PolarHBondContact NH2-O 3.35Å; R122-S164 VanDerWaalsContact NH2-O 3.07Å; R122-V165 WeakPolarHBondContact CD-O 3.41Å; R122-V165 PolarHBondContact NE-O 2.79Å; R122-V165 PolarHBondContact NH1-O 2.8Å; R122-G167 VanDerWaalsContact NH1-N 3.19Å; R122-F353 HydrophobicContact CB-CE2 4.36Å; R122-F353 HydrophobicContact CB-CZ 4.45Å; R122-F353 WeakPolarHBondContact O-CZ 3.33Å |
| 123 | Y | 87.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 47 Ų | 47 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.4 | 175.9 | -69.9 | -101 | 0 | 0 | 0 | 109.2 | Y115 Y116 L121 C133 P134 | Y115-Y123 CarbonylContact C-O 3.47Å; Y115-Y123 WeakPolarHBondContact CA-O 3.43Å; Y115-Y123 WeakPolarHBondContact CB-O 3.29Å; Y116-Y123 HydrophobicContact CD2-CD2 4.11Å; Y116-Y123 HydrophobicContact CD2-CG 4.39Å; Y116-Y123 HydrophobicContact CE1-CG 4.11Å; Y116-Y123 HydrophobicContact CE2-CD1 4.43Å; Y116-Y123 AromaticContact CE2-CD2 3.45Å; Y116-Y123 HydrophobicContact CE2-CD2 3.45Å; Y116-Y123 VanDerWaalsContact CE2-CD2 3.45Å; Y116-Y123 HydrophobicContact CE2-CE2 4.16Å; Y116-Y123 AromaticContact CE2-CG 3.62Å; Y116-Y123 HydrophobicContact CE2-CG 3.62Å; Y116-Y123 AromaticContact CZ-CD1 3.97Å; Y116-Y123 AromaticContact CZ-CD2 3.82Å; Y116-Y123 AromaticContact CZ-CG 3.46Å; Y116-Y123 VanDerWaalsContact CZ-CG 3.46Å; Y116-Y123 PolarHBondContact N-O 2.93Å; Y116-Y123 PolarHBondContact O-N 2.74Å; Y116-Y123 WeakPolarHBondContact OH-CD1 3.41Å; L121-Y123 HydrophobicContact CB-CE2 3.87Å; Y123-C133 CarbonylContact C-O 3.53Å; Y123-C133 VanDerWaalsContact CA-O 3.26Å; Y123-C133 WeakPolarHBondContact CA-O 3.43Å; Y123-P134 HydrophobicContact CD1-CB 4.15Å; Y123-P134 HydrophobicContact CE1-CB 3.92Å; Y123-P134 HydrophobicContact CE1-CG 4.19Å |
| 124 | V | 88.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.8 | -177.4 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | L113 R122 L126 F132 C133 V135 | L113-V124 HydrophobicContact CD1-CG1 3.56Å; L113-V124 HydrophobicContact CD1-CG2 4.4Å; R122-V124 HydrophobicContact CG-CG2 4.48Å; V124-L126 PolarHBondContact O-N 3.32Å; V124-F132 WeakPolarHBondContact O-CA 3.29Å; V124-C133 PolarHBondContact N-O 2.86Å; V124-C133 PolarHBondContact O-N 3Å; V124-V135 HydrophobicContact CB-CG2 4.12Å; V124-V135 HydrophobicContact CG2-CG2 3.38Å |
| 125 | W | 85.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.9 | 173.9 | 179.5 | -101.2 | 0 | 0 | 0 | 110.9 | L59 A60 R114 D127 G130 F132 | L59-W125 HydrophobicContact CB-CH2 4.07Å; L59-W125 HydrophobicContact CB-CZ3 3.61Å; A60-W125 HydrophobicContact CB-CH2 3.62Å; A60-W125 HydrophobicContact CB-CZ2 3.35Å; R114-W125 HydrophobicContact CB-CB 4.01Å; R114-W125 PolarHBondContact O-N 3.08Å; W125-D127 PolarHBondContact NE1-OD1 2.83Å; W125-G130 VanDerWaalsContact CH2-O 3.23Å; W125-G130 WeakPolarHBondContact CH2-O 3.42Å; W125-F132 HydrophobicContact CB-CD1 4.05Å; W125-F132 HydrophobicContact CB-CE1 3.78Å; W125-F132 HydrophobicContact CB-CZ 4.3Å; W125-F132 HydrophobicContact CE3-CD1 4.33Å; W125-F132 AromaticContact CE3-CD2 3.66Å; W125-F132 HydrophobicContact CE3-CD2 3.66Å; W125-F132 HydrophobicContact CE3-CE1 4.28Å; W125-F132 AromaticContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CG 4.03Å; W125-F132 AromaticContact CE3-CZ 3.92Å; W125-F132 HydrophobicContact CE3-CZ 3.92Å; W125-F132 HydrophobicContact CZ3-CD2 4.05Å; W125-F132 HydrophobicContact CZ3-CE2 4.06Å |
| 126 | L | 82.4 | Confident | 82.7 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.6 | 174.1 | -65.7 | 178.4 | 0 | 0 | 0 | 110.1 | V124 R128 K129 G130 A131 C133 L138 | V124-L126 PolarHBondContact O-N 3.32Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.2Å; L126-K129 HydrophobicContact CB-CB 4.43Å; L126-K129 HydrophobicContact CD1-CD 4.34Å; L126-K129 PolarHBondContact O-N 3.42Å; L126-G130 PolarHBondContact O-N 2.83Å; L126-A131 PolarHBondContact N-O 2.98Å; L126-A131 VanDerWaalsContact N-O 3.16Å; L126-C133 HydrophobicContact CD1-CB 3.72Å; L126-C133 HydrophobicContact CG-CB 4.35Å; L126-L138 HydrophobicContact CD2-CD2 4.23Å |
| 127 | D | 77.7 | Confident | 82.1 | Confident | 136 Ų | 136 | 45.5 Ų | 45.5 | 73% | 0.727 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.4 | -178.3 | -72.7 | -50.1 | 0 | 0 | 0 | 112.7 | W125 K129 G130 | W125-D127 PolarHBondContact NE1-OD1 2.83Å; D127-K129 PolarHBondContact O-N 3.19Å; D127-G130 PolarHBondContact O-N 3.39Å |
| 128 | R | 73 | Confident | 81.6 | Confident | 181 Ų | 181 | 44.4 Ų | 44.4 | 68% | 0.683 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -41.9 | 177.8 | -67.3 | -176.2 | 178.2 | -155.7 | -10.8 | 113.2 | L95 L126 | L95-R128 VanDerWaalsContact CB-NH2 3.27Å; L95-R128 PolarHBondContact O-NH2 3.04Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 3.2Å |
| 129 | K | 74.6 | Confident | 81.3 | Confident | 111 Ų | 111 | 44.8 Ų | 44.8 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -12.1 | -177.9 | -66.6 | -172.5 | 176.3 | -178.3 | 0 | 112.4 | L126 D127 A131 V137 | L126-K129 HydrophobicContact CB-CB 4.43Å; L126-K129 HydrophobicContact CD1-CD 4.34Å; L126-K129 PolarHBondContact O-N 3.42Å; D127-K129 PolarHBondContact O-N 3.19Å; K129-A131 PolarHBondContact O-N 3.32Å; K129-V137 VanDerWaalsContact NZ-CG1 3.33Å |
| 130 | G | 79.2 | Confident | 80.9 | Confident | 40 Ų | 40 | 46.9 Ų | 46.9 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W125 L126 D127 | W125-G130 VanDerWaalsContact CH2-O 3.23Å; W125-G130 WeakPolarHBondContact CH2-O 3.42Å; L126-G130 PolarHBondContact O-N 2.83Å; D127-G130 PolarHBondContact O-N 3.39Å |
| 131 | A | 83.8 | Confident | 80.8 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L126 K129 C133 | L126-A131 PolarHBondContact N-O 2.98Å; L126-A131 VanDerWaalsContact N-O 3.16Å; K129-A131 PolarHBondContact O-N 3.32Å; A131-C133 PolarHBondContact O-N 3.4Å |
| 132 | F | 85.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.088 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.9 | 166.6 | -74.2 | -84.3 | 0 | 0 | 0 | 109.2 | L59 L65 V79 Y116 V124 W125 | L59-F132 HydrophobicContact CB-CE2 4.43Å; L65-F132 HydrophobicContact CD1-CD2 3.97Å; L65-F132 HydrophobicContact CD1-CE2 3.89Å; L65-F132 HydrophobicContact CD1-CG 4.48Å; L65-F132 HydrophobicContact CD1-CZ 4.34Å; L65-F132 HydrophobicContact CD2-CE2 4.21Å; V79-F132 HydrophobicContact CG1-CE1 4.32Å; V79-F132 HydrophobicContact CG1-CZ 4.06Å; V79-F132 HydrophobicContact CG2-CZ 4.21Å; Y116-F132 HydrophobicContact CD1-CB 4.33Å; Y116-F132 AromaticContact CD1-CD1 3.71Å; Y116-F132 HydrophobicContact CD1-CD1 3.71Å; Y116-F132 HydrophobicContact CD1-CE1 4.11Å; Y116-F132 AromaticContact CD1-CG 3.95Å; Y116-F132 HydrophobicContact CD1-CG 3.95Å; Y116-F132 HydrophobicContact CE1-CB 3.51Å; Y116-F132 AromaticContact CE1-CD1 3.78Å; Y116-F132 HydrophobicContact CE1-CD1 3.78Å; Y116-F132 HydrophobicContact CE1-CD2 4.16Å; Y116-F132 AromaticContact CE1-CG 3.56Å; Y116-F132 HydrophobicContact CE1-CG 3.56Å; V124-F132 WeakPolarHBondContact O-CA 3.29Å; W125-F132 HydrophobicContact CB-CD1 4.05Å; W125-F132 HydrophobicContact CB-CE1 3.78Å; W125-F132 HydrophobicContact CB-CZ 4.3Å; W125-F132 HydrophobicContact CE3-CD1 4.33Å; W125-F132 AromaticContact CE3-CD2 3.66Å; W125-F132 HydrophobicContact CE3-CD2 3.66Å; W125-F132 HydrophobicContact CE3-CE1 4.28Å; W125-F132 AromaticContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CE2 3.59Å; W125-F132 HydrophobicContact CE3-CG 4.03Å; W125-F132 AromaticContact CE3-CZ 3.92Å; W125-F132 HydrophobicContact CE3-CZ 3.92Å; W125-F132 HydrophobicContact CZ3-CD2 4.05Å; W125-F132 HydrophobicContact CZ3-CE2 4.06Å |
| 133 | C | 83.1 | Confident | 80.7 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 148.4 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | Y123 V124 L126 A131 V137 | Y123-C133 CarbonylContact C-O 3.53Å; Y123-C133 VanDerWaalsContact CA-O 3.26Å; Y123-C133 WeakPolarHBondContact CA-O 3.43Å; V124-C133 PolarHBondContact N-O 2.86Å; V124-C133 PolarHBondContact O-N 3Å; L126-C133 HydrophobicContact CD1-CB 3.72Å; L126-C133 HydrophobicContact CG-CB 4.35Å; A131-C133 PolarHBondContact O-N 3.4Å; C133-V137 HydrophobicContact CB-CB 4.47Å; C133-V137 HydrophobicContact CB-CG2 4.23Å |
| 134 | P | 84.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 18% | 0.175 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 143 | 171.2 | 23.2 | -26.2 | 0 | 0 | 0 | 109.2 | Y123 S136 V137 F353 | Y123-P134 HydrophobicContact CD1-CB 4.15Å; Y123-P134 HydrophobicContact CE1-CB 3.92Å; Y123-P134 HydrophobicContact CE1-CG 4.19Å; P134-S136 PolarHBondContact O-N 2.88Å; P134-S136 VanDerWaalsContact O-N 3.11Å; P134-V137 HydrophobicContact CG-CG2 3.9Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.08Å; P134-V137 PolarHBondContact O-N 3.01Å; P134-V137 VanDerWaalsContact O-N 3.07Å; P134-F353 HydrophobicContact CB-CE1 4.27Å |
| 135 | V | 84.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -59.6 | -25.9 | -176.2 | 171.2 | 0 | 0 | 0 | 0 | 112.6 | R122 V124 V137 L138 V165 F166 F353 | R122-V135 HydrophobicContact CB-CG2 3.97Å; R122-V135 HydrophobicContact CG-CG2 4.02Å; R122-V135 WeakPolarHBondContact O-CG2 3.49Å; R122-V135 PolarHBondContact O-N 2.95Å; V124-V135 HydrophobicContact CB-CG2 4.12Å; V124-V135 HydrophobicContact CG2-CG2 3.38Å; V135-V137 PolarHBondContact O-N 3.44Å; V135-V137 VanDerWaalsContact O-N 3.11Å; V135-L138 HydrophobicContact CG1-CD1 4.35Å; V135-L138 WeakPolarHBondContact O-CB 3.42Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L138 VanDerWaalsContact O-N 3.11Å; V135-V165 HydrophobicContact CG1-CG1 4.38Å; V135-F166 HydrophobicContact CG1-CB 4.48Å; V135-F166 HydrophobicContact CG1-CD1 3.19Å; V135-F166 HydrophobicContact CG1-CD2 4.48Å; V135-F166 HydrophobicContact CG1-CE1 3.31Å; V135-F166 HydrophobicContact CG1-CG 3.83Å; V135-F166 HydrophobicContact CG1-CZ 4.02Å; V135-F353 HydrophobicContact CB-CE2 4.14Å; V135-F353 HydrophobicContact CB-CZ 3.91Å |
| 136 | S | 78.3 | Confident | 80.2 | Confident | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.7 | -27.4 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | P134 L138 N139 E140 | P134-S136 PolarHBondContact O-N 2.88Å; P134-S136 VanDerWaalsContact O-N 3.11Å; S136-L138 PolarHBondContact O-N 2.86Å; S136-L138 VanDerWaalsContact O-N 3.16Å; S136-N139 PolarHBondContact O-N 2.87Å; S136-E140 PolarHBondContact O-N 3.34Å |
| 137 | V | 77.1 | Confident | 80.4 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -60.1 | -25.9 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | K129 C133 P134 V135 N139 E140 | K129-V137 VanDerWaalsContact NZ-CG1 3.33Å; C133-V137 HydrophobicContact CB-CB 4.47Å; C133-V137 HydrophobicContact CB-CG2 4.23Å; P134-V137 HydrophobicContact CG-CG2 3.9Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.08Å; P134-V137 PolarHBondContact O-N 3.01Å; P134-V137 VanDerWaalsContact O-N 3.07Å; V135-V137 PolarHBondContact O-N 3.44Å; V135-V137 VanDerWaalsContact O-N 3.11Å; V137-N139 PolarHBondContact O-N 3.5Å; V137-E140 PolarHBondContact O-N 3.17Å |
| 138 | L | 76.6 | Confident | 80.8 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -67.8 | -18.8 | 175.8 | -63.2 | 175 | 0 | 0 | 0 | 113.3 | L126 V135 S136 V165 F166 | L126-L138 HydrophobicContact CD2-CD2 4.23Å; V135-L138 HydrophobicContact CG1-CD1 4.35Å; V135-L138 WeakPolarHBondContact O-CB 3.42Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L138 VanDerWaalsContact O-N 3.11Å; S136-L138 PolarHBondContact O-N 2.86Å; S136-L138 VanDerWaalsContact O-N 3.16Å; L138-V165 HydrophobicContact CD1-CG1 3.57Å; L138-F166 HydrophobicContact CB-CZ 4.19Å; L138-F166 HydrophobicContact CD1-CZ 4.3Å |
| 139 | N | 77.3 | Confident | 81.3 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.112 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -106.6 | -6.6 | -178.3 | -60.4 | -9.4 | 0 | 0 | 0 | 112.8 | S136 V137 D141 W142 F166 P264 T348 | S136-N139 PolarHBondContact O-N 2.87Å; V137-N139 PolarHBondContact O-N 3.5Å; N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 PolarHBondContact O-N 2.97Å; N139-W142 HydrophobicContact CB-CD2 4.17Å; N139-W142 HydrophobicContact CB-CE3 4.44Å; N139-W142 HydrophobicContact CB-CZ2 4.24Å; N139-W142 WeakPolarHBondContact O-CB 3.39Å; N139-W142 PolarHBondContact O-N 3.42Å; N139-W142 WeakPolarHBondContact OD1-CZ2 3.46Å; N139-F166 VanDerWaalsContact OD1-CZ 3.28Å; N139-F166 WeakPolarHBondContact OD1-CZ 3.48Å; N139-P264 VanDerWaalsContact ND2-CB 3.34Å; N139-P264 WeakPolarHBondContact ND2-CB 3.23Å; N139-T348 PolarHBondContact ND2-O 3.14Å |
| 140 | E | 70.8 | Confident | 81.9 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.7 | -175.2 | -77.4 | 173.5 | -174.4 | 0 | 0 | 112.9 | S136 V137 W142 | S136-E140 PolarHBondContact O-N 3.34Å; V137-E140 PolarHBondContact O-N 3.17Å; E140-W142 VanDerWaalsContact C-N 3.28Å; E140-W142 PolarHBondContact O-N 3.49Å |
| 141 | D | 76.9 | Confident | 82.1 | Confident | 138 Ų | 138 | 44.4 Ų | 44.4 | 74% | 0.738 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.8 | -179.9 | -62.6 | -34.4 | 0 | 0 | 0 | 113.3 | N139 T143 | N139-D141 VanDerWaalsContact C-N 3.29Å; N139-D141 PolarHBondContact O-N 2.97Å; D141-T143 PolarHBondContact O-N 3.3Å |
| 142 | W | 83.3 | Confident | 82.1 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | trans | -69.6 | 125.4 | -178.4 | -71.3 | 9.3 | 0 | 0 | 0 | 111 | N139 E140 L147 R162 P264 Y314 | N139-W142 HydrophobicContact CB-CD2 4.17Å; N139-W142 HydrophobicContact CB-CE3 4.44Å; N139-W142 HydrophobicContact CB-CZ2 4.24Å; N139-W142 WeakPolarHBondContact O-CB 3.39Å; N139-W142 PolarHBondContact O-N 3.42Å; N139-W142 WeakPolarHBondContact OD1-CZ2 3.46Å; E140-W142 VanDerWaalsContact C-N 3.28Å; E140-W142 PolarHBondContact O-N 3.49Å; W142-L147 HydrophobicContact CE3-CD2 3.55Å; W142-L147 HydrophobicContact CE3-CG 4.44Å; W142-L147 HydrophobicContact CZ3-CD2 3.91Å; W142-R162 VanDerWaalsContact CZ2-NH1 3.31Å; W142-P264 HydrophobicContact CH2-CB 3.71Å; W142-P264 HydrophobicContact CZ3-CB 4.41Å; W142-Y314 WeakPolarHBondContact O-CB 3.36Å; W142-Y314 PolarHBondContact O-N 2.9Å | ||
| 143 | T | 85.1 | Confident | 82.2 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 154.8 | 171.6 | 64 | 0 | 0 | 0 | 0 | 111.1 | D141 K145 G146 L147 R312 | D141-T143 PolarHBondContact O-N 3.3Å; T143-K145 PolarHBondContact O-N 3.46Å; T143-G146 WeakPolarHBondContact O-CA 3.24Å; T143-G146 PolarHBondContact O-N 2.95Å; T143-G146 PolarHBondContact OG1-N 2.95Å; T143-L147 PolarHBondContact O-N 2.85Å; T143-R312 CarbonylContact C-O 3.52Å; T143-R312 VanDerWaalsContact CA-O 3.22Å; T143-R312 WeakPolarHBondContact CA-O 3.44Å |
| 144 | C | 82.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -35.5 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | L147 Y148 L307 A310 R312 | C144-L147 PolarHBondContact O-N 3.37Å; C144-Y148 WeakPolarHBondContact O-CD2 3.46Å; C144-L307 HydrophobicContact CB-CD2 3.69Å; C144-L307 HydrophobicContact CB-CG 4.08Å; C144-A310 WeakPolarHBondContact CB-O 3.48Å; C144-R312 PolarHBondContact N-O 3.43Å |
| 145 | K | 84.7 | Confident | 82.7 | Confident | 129 Ų | 129 | 47.6 Ų | 47.6 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.8 | -38.1 | 171.5 | -170.3 | 178.4 | 178.4 | -176.4 | 0 | 112.9 | T143 L147 Y148 A310 | T143-K145 PolarHBondContact O-N 3.46Å; K145-L147 VanDerWaalsContact C-N 3.28Å; K145-L147 PolarHBondContact O-N 2.71Å; K145-Y148 WeakPolarHBondContact O-CB 3.46Å; K145-Y148 PolarHBondContact O-N 2.85Å; K145-A310 PolarHBondContact N-O 2.93Å |
| 146 | G | 84.1 | Confident | 82.7 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 34% | 0.34 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T143 Y148 G149 | T143-G146 WeakPolarHBondContact O-CA 3.24Å; T143-G146 PolarHBondContact O-N 2.95Å; T143-G146 PolarHBondContact OG1-N 2.95Å; G146-Y148 VanDerWaalsContact C-N 3.28Å; G146-Y148 PolarHBondContact O-N 3.29Å; G146-G149 WeakPolarHBondContact O-CA 3.37Å; G146-G149 PolarHBondContact O-N 3.46Å |
| 147 | L | 85.8 | Confident | 83 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 175.8 | -77.6 | 171.4 | 0 | 0 | 0 | 113.4 | W142 T143 C144 K145 G149 F150 A282 L284 L307 Y314 V346 T348 | W142-L147 HydrophobicContact CE3-CD2 3.55Å; W142-L147 HydrophobicContact CE3-CG 4.44Å; W142-L147 HydrophobicContact CZ3-CD2 3.91Å; T143-L147 PolarHBondContact O-N 2.85Å; C144-L147 PolarHBondContact O-N 3.37Å; K145-L147 VanDerWaalsContact C-N 3.28Å; K145-L147 PolarHBondContact O-N 2.71Å; L147-G149 PolarHBondContact O-N 3.29Å; L147-F150 PolarHBondContact O-N 2.98Å; L147-F150 VanDerWaalsContact O-N 3.15Å; L147-A282 HydrophobicContact CD1-CB 4.06Å; L147-L284 HydrophobicContact CB-CD2 4.31Å; L147-L307 HydrophobicContact CB-CD2 4.42Å; L147-L307 HydrophobicContact CD1-CD2 3.8Å; L147-Y314 HydrophobicContact CD1-CD1 3.96Å; L147-Y314 HydrophobicContact CD1-CD2 3.65Å; L147-Y314 HydrophobicContact CD1-CE1 4.44Å; L147-Y314 HydrophobicContact CD1-CE2 4.18Å; L147-Y314 HydrophobicContact CD1-CG 3.53Å; L147-V346 HydrophobicContact CD2-CG1 3.99Å; L147-T348 HydrophobicContact CD2-CG2 4.44Å |
| 148 | Y | 86.4 | Confident | 83.4 | Confident | 61 Ų | 61 | 58 Ų | 58 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -25.1 | 173.2 | -84.6 | -81.4 | 0 | 0 | 0 | 113.1 | C144 K145 G146 F150 Q151 L284 L307 A309 | C144-Y148 WeakPolarHBondContact O-CD2 3.46Å; K145-Y148 WeakPolarHBondContact O-CB 3.46Å; K145-Y148 PolarHBondContact O-N 2.85Å; G146-Y148 VanDerWaalsContact C-N 3.28Å; G146-Y148 PolarHBondContact O-N 3.29Å; Y148-F150 PolarHBondContact O-N 3.27Å; Y148-Q151 WeakPolarHBondContact O-CB 3.39Å; Y148-Q151 PolarHBondContact O-N 3.44Å; Y148-Q151 VanDerWaalsContact O-N 3.11Å; Y148-L284 HydrophobicContact CD1-CD1 4.4Å; Y148-L284 HydrophobicContact CD1-CD2 4.38Å; Y148-L284 HydrophobicContact CD2-CD2 4.25Å; Y148-L284 HydrophobicContact CE1-CB 4.04Å; Y148-L284 HydrophobicContact CE1-CD2 4.24Å; Y148-L284 HydrophobicContact CE2-CD2 4.12Å; Y148-L284 HydrophobicContact CG-CD2 4.37Å; Y148-L284 PolarHBondContact OH-O 3.29Å; Y148-L284 VanDerWaalsContact OH-O 3.06Å; Y148-L307 PolarHBondContact OH-O 2.82Å; Y148-A309 HydrophobicContact CD2-CB 4.09Å; Y148-A309 HydrophobicContact CE2-CB 3.86Å |
| 149 | G | 83.8 | Confident | 83.9 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.1 | -29.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | G146 L147 Q151 | G146-G149 WeakPolarHBondContact O-CA 3.37Å; G146-G149 PolarHBondContact O-N 3.46Å; L147-G149 PolarHBondContact O-N 3.29Å; G149-Q151 VanDerWaalsContact C-N 3.31Å; G149-Q151 PolarHBondContact O-N 2.9Å |
| 150 | F | 86 | Confident | 84.4 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 17% | 0.167 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -84.7 | 1.4 | 177.9 | -60.7 | -66.1 | 0 | 0 | 0 | 113.8 | L147 Y148 N152 G153 L154 C267 V346 | L147-F150 PolarHBondContact O-N 2.98Å; L147-F150 VanDerWaalsContact O-N 3.15Å; Y148-F150 PolarHBondContact O-N 3.27Å; F150-N152 PolarHBondContact O-N 3.31Å; F150-G153 PolarHBondContact O-N 3.34Å; F150-L154 HydrophobicContact CD1-CD2 3.62Å; F150-L154 HydrophobicContact CE1-CD2 3.77Å; F150-C267 WeakPolarHBondContact O-CB 3.38Å; F150-V346 HydrophobicContact CB-CG1 3.95Å; F150-V346 HydrophobicContact CB-CG2 4.04Å |
| 151 | Q | 84.6 | Confident | 85.1 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -60.3 | -29.7 | 179.7 | -173.9 | 177.2 | 6.5 | 0 | 0 | 112.9 | Y148 G149 G153 C267 L284 | Y148-Q151 WeakPolarHBondContact O-CB 3.39Å; Y148-Q151 PolarHBondContact O-N 3.44Å; Y148-Q151 VanDerWaalsContact O-N 3.11Å; G149-Q151 VanDerWaalsContact C-N 3.31Å; G149-Q151 PolarHBondContact O-N 2.9Å; Q151-G153 VanDerWaalsContact C-N 3.26Å; Q151-G153 PolarHBondContact O-N 3.42Å; Q151-C267 PolarHBondContact O-SG 2.98Å; Q151-L284 HydrophobicContact CB-CD1 4.06Å; Q151-L284 HydrophobicContact CG-CD1 4.47Å |
| 152 | N | 84.6 | Confident | 85.6 | Confident | 116 Ų | 116 | 49.1 Ų | 49.1 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -80.2 | -4.5 | 176.7 | -66.5 | -22.2 | 0 | 0 | 0 | 113.1 | F150 R249 D250 | F150-N152 PolarHBondContact O-N 3.31Å; N152-R249 CarbonylContact O-C 3.51Å; N152-D250 VanDerWaalsContact O-CA 3.3Å; N152-D250 WeakPolarHBondContact O-CA 3.37Å; N152-D250 PolarHBondContact O-N 3.45Å |
| 153 | G | 85.9 | Confident | 85.8 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | trans | 89.1 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | F150 Q151 R248 | F150-G153 PolarHBondContact O-N 3.34Å; Q151-G153 VanDerWaalsContact C-N 3.26Å; Q151-G153 PolarHBondContact O-N 3.42Å; G153-R248 WeakPolarHBondContact CA-O 3.48Å | ||
| 154 | L | 89.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -91.9 | 149.9 | 176.7 | -67.1 | 177.7 | 0 | 0 | 0 | 111.2 | F150 E158 V263 | F150-L154 HydrophobicContact CD1-CD2 3.62Å; F150-L154 HydrophobicContact CE1-CD2 3.77Å; L154-E158 HydrophobicContact CD2-CG 4.24Å; L154-V263 HydrophobicContact CD1-CG2 3.99Å |
| 155 | S | 88.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | trans | -69.7 | 152.1 | 168.2 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | Q157 E158 Q159 D250 | S155-Q157 PolarHBondContact O-N 2.95Å; S155-E158 PolarHBondContact O-N 3.05Å; S155-E158 WeakPolarHBondContact OG-CB 3.46Å; S155-E158 PolarHBondContact OG-N 3.15Å; S155-Q159 WeakPolarHBondContact O-CB 3.49Å; S155-Q159 PolarHBondContact O-N 2.93Å; S155-D250 WeakPolarHBondContact CA-OD2 3.28Å; S155-D250 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 156 | P | 85.2 | Confident | 86 | Confident | 81 Ų | 81 | 46 Ų | 46 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.1 | -33.8 | 178.3 | -26 | 34.5 | 0 | 0 | 0 | 113.9 | S160 | P156-S160 WeakPolarHBondContact O-CB 3.43Å; P156-S160 PolarHBondContact O-N 2.87Å |
| 157 | Q | 85.1 | Confident | 86.2 | Confident | 157 Ų | 157 | 45.2 Ų | 45.2 | 73% | 0.734 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70 | -45.8 | 178.2 | -67.3 | -179.9 | -0.4 | 0 | 0 | 111.4 | S155 Q159 S160 W161 | S155-Q157 PolarHBondContact O-N 2.95Å; Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 2.65Å; Q157-S160 PolarHBondContact O-N 3.45Å; Q157-W161 PolarHBondContact O-N 3.5Å |
| 158 | E | 85.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 48 Ų | 48 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.6 | -172.9 | 170.9 | 168.4 | 0 | 0 | 111.5 | Q91 L154 S155 W161 R162 | Q91-E158 PolarHBondContact NE2-OE2 2.92Å; L154-E158 HydrophobicContact CD2-CG 4.24Å; S155-E158 PolarHBondContact O-N 3.05Å; S155-E158 WeakPolarHBondContact OG-CB 3.46Å; S155-E158 PolarHBondContact OG-N 3.15Å; E158-W161 PolarHBondContact O-N 2.86Å; E158-R162 WeakPolarHBondContact O-CG 3.11Å; E158-R162 PolarHBondContact O-N 3.43Å; E158-R162 IonicContact OE1-CZ 2.78Å; E158-R162 IonicContact OE1-NE 2.67Å; E158-R162 PolarHBondContact OE1-NE 2.95Å; E158-R162 VanDerWaalsContact OE1-NE 3.15Å; E158-R162 IonicContact OE1-NH2 3.91Å; E158-R162 PolarHBondContact OE1-NH2 2.94Å |
| 159 | Q | 87 | Confident | 86.6 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 174.4 | -166.8 | -166.1 | 36.3 | 0 | 0 | 111.5 | S155 Q157 W161 R162 R163 R249 V263 D266 | S155-Q159 WeakPolarHBondContact O-CB 3.49Å; S155-Q159 PolarHBondContact O-N 2.93Å; Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 2.65Å; Q159-W161 VanDerWaalsContact C-N 3.33Å; Q159-W161 PolarHBondContact O-N 3.31Å; Q159-R162 PolarHBondContact O-N 3.35Å; Q159-R163 WeakPolarHBondContact O-CB 3.4Å; Q159-R163 PolarHBondContact O-N 3.24Å; Q159-R249 VanDerWaalsContact OE1-NH2 3.16Å; Q159-V263 HydrophobicContact CG-CG2 3.77Å; Q159-D266 PolarHBondContact NE2-OD1 2.76Å; Q159-D266 PolarHBondContact NE2-OD2 2.79Å |
| 160 | S | 86.9 | Confident | 86.8 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 178.2 | -173 | 0 | 0 | 0 | 0 | 111.6 | P156 Q157 R163 S164 | P156-S160 WeakPolarHBondContact O-CB 3.43Å; P156-S160 PolarHBondContact O-N 2.87Å; Q157-S160 PolarHBondContact O-N 3.45Å; S160-R163 WeakPolarHBondContact O-CB 3.38Å; S160-R163 PolarHBondContact O-N 3.24Å; S160-S164 PolarHBondContact O-N 3.48Å; S160-S164 VanDerWaalsContact O-N 3.07Å |
| 161 | W | 85 | Confident | 86.8 | Confident | 42 Ų | 42 | 43 Ų | 43 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 175.3 | 173.9 | 72.7 | 0 | 0 | 0 | 111.9 | M84 L92 Q157 E158 Q159 R163 S164 V165 | M84-W161 HydrophobicContact CE-CG 4.48Å; L92-W161 HydrophobicContact CD1-CZ2 3.76Å; Q157-W161 PolarHBondContact O-N 3.5Å; E158-W161 PolarHBondContact O-N 2.86Å; Q159-W161 VanDerWaalsContact C-N 3.33Å; Q159-W161 PolarHBondContact O-N 3.31Å; W161-R163 PolarHBondContact O-N 2.75Å; W161-S164 WeakPolarHBondContact O-CB 3.13Å; W161-S164 PolarHBondContact O-N 2.74Å; W161-S164 PolarHBondContact O-OG 2.88Å; W161-V165 HydrophobicContact CZ2-CG2 4.1Å; W161-V165 PolarHBondContact O-N 2.81Å |
| 162 | R | 87.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 42.9 Ų | 42.9 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -35.9 | 177.2 | -70.6 | 179.9 | -177.7 | -116.7 | -2.6 | 111.4 | W142 E158 Q159 S164 V165 F166 V263 P264 | W142-R162 VanDerWaalsContact CZ2-NH1 3.31Å; E158-R162 WeakPolarHBondContact O-CG 3.11Å; E158-R162 PolarHBondContact O-N 3.43Å; E158-R162 IonicContact OE1-CZ 2.78Å; E158-R162 IonicContact OE1-NE 2.67Å; E158-R162 PolarHBondContact OE1-NE 2.95Å; E158-R162 VanDerWaalsContact OE1-NE 3.15Å; E158-R162 IonicContact OE1-NH2 3.91Å; E158-R162 PolarHBondContact OE1-NH2 2.94Å; Q159-R162 PolarHBondContact O-N 3.35Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 2.92Å; R162-V165 PolarHBondContact O-N 3.47Å; R162-V165 VanDerWaalsContact O-N 3.17Å; R162-F166 HydrophobicContact CB-CD2 4.1Å; R162-F166 HydrophobicContact CB-CE2 4.46Å; R162-F166 HydrophobicContact CG-CE2 4.49Å; R162-F166 WeakPolarHBondContact O-CB 3.33Å; R162-F166 VanDerWaalsContact O-CD2 3.31Å; R162-F166 WeakPolarHBondContact O-CD2 3.39Å; R162-F166 PolarHBondContact O-N 3.28Å; R162-V263 HydrophobicContact CB-CB 3.94Å; R162-V263 HydrophobicContact CB-CG1 4.21Å; R162-V263 HydrophobicContact CB-CG2 3.92Å; R162-P264 WeakPolarHBondContact CD-O 3.32Å; R162-P264 PolarHBondContact NH1-O 3.24Å |
| 163 | R | 87.4 | Confident | 86.7 | Confident | 90 Ų | 90 | 37.5 Ų | 37.5 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.9 | -167.1 | 175.4 | -172.2 | 172.3 | 1.8 | 111.9 | Q159 S160 W161 V165 G167 E261 V263 | Q159-R163 WeakPolarHBondContact O-CB 3.4Å; Q159-R163 PolarHBondContact O-N 3.24Å; S160-R163 WeakPolarHBondContact O-CB 3.38Å; S160-R163 PolarHBondContact O-N 3.24Å; W161-R163 PolarHBondContact O-N 2.75Å; R163-V165 VanDerWaalsContact C-N 3.32Å; R163-V165 PolarHBondContact O-N 2.84Å; R163-G167 VanDerWaalsContact O-CA 3.24Å; R163-G167 WeakPolarHBondContact O-CA 3.15Å; R163-G167 PolarHBondContact O-N 3.21Å; R163-E261 IonicContact CZ-OE1 3.06Å; R163-E261 VanDerWaalsContact CZ-OE1 3.29Å; R163-E261 IonicContact NH1-OE1 3.9Å; R163-E261 PolarHBondContact NH1-OE1 3.07Å; R163-E261 IonicContact NH1-OE2 3.71Å; R163-E261 VanDerWaalsContact NH2-CD 3.33Å; R163-E261 VanDerWaalsContact NH2-CG 3.28Å; R163-E261 IonicContact NH2-OE1 3.92Å; R163-E261 PolarHBondContact NH2-OE1 2.96Å; R163-V263 HydrophobicContact CB-CG1 3.89Å; R163-V263 HydrophobicContact CG-CG1 4.39Å |
| 164 | S | 84.9 | Confident | 86.6 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -37.8 | 174.6 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | L113 R122 S160 W161 R162 | L113-S164 WeakPolarHBondContact CD2-O 3.37Å; R122-S164 VanDerWaalsContact CZ-O 3.28Å; R122-S164 PolarHBondContact NH1-O 3.4Å; R122-S164 PolarHBondContact NH2-O 3.35Å; R122-S164 VanDerWaalsContact NH2-O 3.07Å; S160-S164 PolarHBondContact O-N 3.48Å; S160-S164 VanDerWaalsContact O-N 3.07Å; W161-S164 WeakPolarHBondContact O-CB 3.13Å; W161-S164 PolarHBondContact O-N 2.74Å; W161-S164 PolarHBondContact O-OG 2.88Å; R162-S164 VanDerWaalsContact C-N 3.33Å; R162-S164 PolarHBondContact O-N 2.92Å |
| 165 | V | 85.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79.5 | -52.9 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | M84 R122 V135 L138 W161 R162 R163 | M84-V165 HydrophobicContact CE-CG2 4.3Å; R122-V165 WeakPolarHBondContact CD-O 3.41Å; R122-V165 PolarHBondContact NE-O 2.79Å; R122-V165 PolarHBondContact NH1-O 2.8Å; V135-V165 HydrophobicContact CG1-CG1 4.38Å; L138-V165 HydrophobicContact CD1-CG1 3.57Å; W161-V165 HydrophobicContact CZ2-CG2 4.1Å; W161-V165 PolarHBondContact O-N 2.81Å; R162-V165 PolarHBondContact O-N 3.47Å; R162-V165 VanDerWaalsContact O-N 3.17Å; R163-V165 VanDerWaalsContact C-N 3.32Å; R163-V165 PolarHBondContact O-N 2.84Å |
| 166 | F | 85.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -78.5 | -28.5 | -176.7 | -71.1 | -88.6 | 0 | 0 | 0 | 112.9 | V135 L138 N139 R162 P264 | V135-F166 HydrophobicContact CG1-CB 4.48Å; V135-F166 HydrophobicContact CG1-CD1 3.19Å; V135-F166 HydrophobicContact CG1-CD2 4.48Å; V135-F166 HydrophobicContact CG1-CE1 3.31Å; V135-F166 HydrophobicContact CG1-CG 3.83Å; V135-F166 HydrophobicContact CG1-CZ 4.02Å; L138-F166 HydrophobicContact CB-CZ 4.19Å; L138-F166 HydrophobicContact CD1-CZ 4.3Å; N139-F166 VanDerWaalsContact OD1-CZ 3.28Å; N139-F166 WeakPolarHBondContact OD1-CZ 3.48Å; R162-F166 HydrophobicContact CB-CD2 4.1Å; R162-F166 HydrophobicContact CB-CE2 4.46Å; R162-F166 HydrophobicContact CG-CE2 4.49Å; R162-F166 WeakPolarHBondContact O-CB 3.33Å; R162-F166 VanDerWaalsContact O-CD2 3.31Å; R162-F166 WeakPolarHBondContact O-CD2 3.39Å; R162-F166 PolarHBondContact O-N 3.28Å; F166-P264 HydrophobicContact CD1-CG 3.64Å; F166-P264 HydrophobicContact CD2-CG 4.44Å; F166-P264 HydrophobicContact CE1-CB 4.31Å; F166-P264 HydrophobicContact CE1-CG 3.69Å; F166-P264 HydrophobicContact CE2-CG 4.48Å; F166-P264 HydrophobicContact CG-CG 4.06Å; F166-P264 HydrophobicContact CZ-CB 4.34Å; F166-P264 HydrophobicContact CZ-CG 4.14Å |
| 167 | G | 87.8 | Confident | 86.6 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | trans | 81 | -176 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R122 R163 | R122-G167 VanDerWaalsContact NH1-N 3.19Å; R163-G167 VanDerWaalsContact O-CA 3.24Å; R163-G167 WeakPolarHBondContact O-CA 3.15Å; R163-G167 PolarHBondContact O-N 3.21Å | ||
| 168 | A | 89.4 | Confident | 86.9 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 49% | 0.488 | 23% | 0.226 | S | C | . | . | trans | -71.6 | 144.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L170 E260 | A168-L170 PolarHBondContact O-N 3.04Å; A168-E260 WeakPolarHBondContact CA-O 3.34Å | ||
| 169 | N | 91.5 | Very high | 87.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -76.6 | 74.3 | 173.6 | 177.8 | 38.9 | 0 | 0 | 0 | 110.7 | S259 E260 L262 P278 T350 G351 | N169-S259 VanDerWaalsContact CB-O 3.29Å; N169-S259 WeakPolarHBondContact CB-O 3.49Å; N169-S259 PolarHBondContact ND2-O 3.34Å; N169-E260 PolarHBondContact N-O 2.9Å; N169-L262 HydrophobicContact CB-CB 4.18Å; N169-P278 PolarHBondContact ND2-O 2.82Å; N169-T350 HydrophobicContact CB-CG2 4.13Å; N169-T350 WeakPolarHBondContact OD1-CA 3.22Å; N169-T350 WeakPolarHBondContact OD1-CB 3.31Å; N169-G351 PolarHBondContact OD1-N 2.69Å |
| 170 | L | 88.7 | Confident | 87.2 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | trans | -143.5 | 127.7 | -178.9 | -167.4 | 70.4 | 0 | 0 | 0 | 111.3 | A168 D172 R240 I242 E260 | A168-L170 PolarHBondContact O-N 3.04Å; L170-D172 HydrophobicContact CD2-CB 4.04Å; L170-D172 HydrophobicContact CG-CB 4.3Å; L170-D172 PolarHBondContact O-N 3.43Å; L170-R240 HydrophobicContact CD1-CG 3.83Å; L170-I242 HydrophobicContact CD1-CD1 4.27Å; L170-I242 HydrophobicContact CD1-CG1 4.01Å; L170-E260 HydrophobicContact CD1-CG 4.35Å | ||
| 171 | I | 86.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | trans | -89.3 | 79.2 | 171 | -54.1 | 167.6 | 0 | 0 | 0 | 107.8 | A239 F352 K356 V360 | I171-A239 HydrophobicContact CG2-CB 4.05Å; I171-F352 HydrophobicContact CG2-CD1 4.16Å; I171-F352 HydrophobicContact CG2-CE1 3.69Å; I171-F352 HydrophobicContact CG2-CE2 4.11Å; I171-F352 HydrophobicContact CG2-CZ 3.65Å; I171-K356 HydrophobicContact CD1-CD 4.27Å; I171-K356 HydrophobicContact CD1-CG 4.09Å; I171-V360 HydrophobicContact CG2-CB 4.08Å; I171-V360 HydrophobicContact CG2-CG1 3.77Å; I171-V360 HydrophobicContact CG2-CG2 4.48Å | ||
| 172 | D | 83.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 51.4 Ų | 51.4 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | trans | -88 | 119.3 | -178.7 | -161.6 | 32.5 | 0 | 0 | 0 | 112 | L170 R236 | L170-D172 HydrophobicContact CD2-CB 4.04Å; L170-D172 HydrophobicContact CG-CB 4.3Å; L170-D172 PolarHBondContact O-N 3.43Å; D172-R236 IonicContact OD1-CZ 3.81Å; D172-R236 IonicContact OD1-NE 2.77Å; D172-R236 PolarHBondContact OD1-NE 2.86Å; D172-R236 IonicContact OD1-NH2 2.8Å; D172-R236 PolarHBondContact OD1-NH2 2.91Å; D172-R236 IonicContact OD2-NH2 3.6Å; D172-R236 PolarHBondContact OD2-NH2 2.83Å; D172-R236 VanDerWaalsContact OD2-NH2 3.17Å | ||
| 173 | V | 82.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | trans | -88.5 | 120.3 | 174.3 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V175 L235 R236 A239 V360 L364 | V173-V175 PolarHBondContact O-N 2.85Å; V173-L235 HydrophobicContact CG1-CD2 4.5Å; V173-L235 HydrophobicContact CG2-CG 4.49Å; V173-R236 HydrophobicContact CB-CB 4.01Å; V173-R236 HydrophobicContact CB-CG 4.21Å; V173-A239 HydrophobicContact CG2-CB 3.89Å; V173-V360 HydrophobicContact CG2-CG1 4.47Å; V173-L364 HydrophobicContact CB-CD2 4.45Å; V173-L364 HydrophobicContact CG1-CD1 4.47Å; V173-L364 HydrophobicContact CG1-CD2 3.52Å; V173-L364 HydrophobicContact CG2-CD1 4.03Å; V173-L364 HydrophobicContact CG2-CD2 4.2Å | ||
| 174 | P | 82.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 56 Ų | 56 | 53% | 0.526 | 29% | 0.289 | S | S | . | . | trans | -70.3 | 108.3 | -176.1 | 27.3 | -34.1 | 0 | 0 | 0 | 111.3 | K176 | P174-K176 PolarHBondContact O-N 3.31Š| ||
| 175 | V | 85.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | trans | -87.5 | 106.8 | 174 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | V173 R229 I233 R236 | V173-V175 PolarHBondContact O-N 2.85Å; V175-R229 HydrophobicContact CG1-CG 4.37Å; V175-I233 HydrophobicContact CG1-CG1 4.03Å; V175-I233 HydrophobicContact CG2-CG1 4.41Å; V175-R236 HydrophobicContact CG2-CB 4.12Å; V175-R236 HydrophobicContact CG2-CG 4.49Å | ||
| 176 | K | 87.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | trans | -65.9 | 145.4 | 177.3 | -63 | 176.9 | -177.8 | 179 | 0 | 111.2 | P174 L181 E184 R229 | P174-K176 PolarHBondContact O-N 3.31Å; K176-L181 HydrophobicContact CB-CD1 4.36Å; K176-L181 HydrophobicContact CB-CD2 3.74Å; K176-L181 HydrophobicContact CB-CG 3.72Å; K176-L181 HydrophobicContact CD-CD2 3.73Å; K176-L181 HydrophobicContact CG-CD2 4.35Å; K176-E184 WeakPolarHBondContact CD-OE2 3.49Å; K176-E184 IonicContact NZ-OE1 3.01Å; K176-E184 PolarHBondContact NZ-OE1 3.35Å; K176-E184 IonicContact NZ-OE2 3.08Å; K176-E184 PolarHBondContact NZ-OE2 3.03Å; K176-R229 PolarHBondContact O-NH1 2.99Å | ||
| 177 | S | 91.8 | Very high | 87 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 43% | 0.434 | 31% | 0.309 | S | S | . | . | trans | -68.4 | 154.3 | 173.6 | 67.6 | 0 | 0 | 0 | 0 | 111 | M179 R180 L181 | S177-M179 PolarHBondContact O-N 3.46Å; S177-R180 PolarHBondContact O-N 2.82Å; S177-R180 VanDerWaalsContact O-N 3.15Å; S177-R180 WeakPolarHBondContact OG-CB 3.12Å; S177-R180 PolarHBondContact OG-N 3.49Å; S177-L181 WeakPolarHBondContact O-CG 3.32Å; S177-L181 PolarHBondContact O-N 3.45Å | ||
| 178 | Y | 90.4 | Very high | 86.6 | Confident | 108 Ų | 108 | 62 Ų | 62 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 175.5 | -77.4 | -66 | 0 | 0 | 0 | 112.3 | L181 L182 L225 R229 | Y178-L181 PolarHBondContact O-N 3.33Å; Y178-L182 VanDerWaalsContact O-CB 3.26Å; Y178-L182 WeakPolarHBondContact O-CB 3.28Å; Y178-L182 PolarHBondContact O-N 3.24Å; Y178-L225 HydrophobicContact CD1-CB 4.43Å; Y178-R229 HydrophobicContact CE1-CB 4.05Å; Y178-R229 HydrophobicContact CE1-CG 4.35Å; Y178-R229 WeakPolarHBondContact OH-CD 3.37Å |
| 179 | M | 89.9 | Confident | 86.1 | Confident | 137 Ų | 137 | 62 Ų | 62 | 68% | 0.675 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.2 | -41 | 178.6 | -65.9 | -59 | 168.7 | 0 | 0 | 112.7 | S177 L182 F183 | S177-M179 PolarHBondContact O-N 3.46Å; M179-L182 PolarHBondContact O-N 2.88Å; M179-F183 PolarHBondContact O-N 2.8Å |
| 180 | R | 89.1 | Confident | 85.5 | Confident | 146 Ų | 146 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 175.8 | -178.3 | 174 | 177.9 | 166.5 | 4.3 | 111.2 | S177 L182 F183 E184 | S177-R180 PolarHBondContact O-N 2.82Å; S177-R180 VanDerWaalsContact O-N 3.15Å; S177-R180 WeakPolarHBondContact OG-CB 3.12Å; S177-R180 PolarHBondContact OG-N 3.49Å; R180-L182 VanDerWaalsContact C-N 3.34Å; R180-F183 PolarHBondContact O-N 3.03Å; R180-E184 IonicContact CZ-OE1 3.01Å; R180-E184 IonicContact NE-OE1 2.91Å; R180-E184 PolarHBondContact NE-OE1 2.67Å; R180-E184 IonicContact NH2-OE1 3.09Å; R180-E184 WeakPolarHBondContact O-CG 3.49Å; R180-E184 PolarHBondContact O-N 3.44Å |
| 181 | L | 87.7 | Confident | 85.2 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176 | -70.4 | 173.1 | 0 | 0 | 0 | 111.4 | K176 S177 Y178 F183 E184 E185 L225 I228 R229 | K176-L181 HydrophobicContact CB-CD1 4.36Å; K176-L181 HydrophobicContact CB-CD2 3.74Å; K176-L181 HydrophobicContact CB-CG 3.72Å; K176-L181 HydrophobicContact CD-CD2 3.73Å; K176-L181 HydrophobicContact CG-CD2 4.35Å; S177-L181 WeakPolarHBondContact O-CG 3.32Å; S177-L181 PolarHBondContact O-N 3.45Å; Y178-L181 PolarHBondContact O-N 3.33Å; L181-F183 PolarHBondContact O-N 3.48Å; L181-E184 PolarHBondContact O-N 3.29Å; L181-E185 VanDerWaalsContact O-CB 3.27Å; L181-E185 WeakPolarHBondContact O-CB 3.22Å; L181-E185 PolarHBondContact O-N 3.27Å; L181-L225 VanDerWaalsContact C-CD2 3.4Å; L181-L225 HydrophobicContact CB-CD2 3.42Å; L181-L225 VanDerWaalsContact CB-CD2 3.42Å; L181-I228 HydrophobicContact CD1-CG2 4.25Å; L181-I228 HydrophobicContact CD2-CG2 3.87Å; L181-R229 HydrophobicContact CD1-CB 4.04Å |
| 182 | L | 89.5 | Confident | 85.1 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.3 | 176.8 | 65.3 | 0 | 0 | 0 | 111.4 | Y178 M179 R180 E185 V186 I221 L225 | Y178-L182 VanDerWaalsContact O-CB 3.26Å; Y178-L182 WeakPolarHBondContact O-CB 3.28Å; Y178-L182 PolarHBondContact O-N 3.24Å; M179-L182 PolarHBondContact O-N 2.88Å; R180-L182 VanDerWaalsContact C-N 3.34Å; L182-E185 PolarHBondContact O-N 2.7Å; L182-V186 HydrophobicContact CD1-CG2 3.85Å; L182-V186 HydrophobicContact CG-CG2 4.34Å; L182-V186 WeakPolarHBondContact O-CB 3.46Å; L182-V186 VanDerWaalsContact O-CG2 3.23Å; L182-V186 WeakPolarHBondContact O-CG2 3.47Å; L182-V186 PolarHBondContact O-N 3.47Å; L182-I221 HydrophobicContact CD1-CG2 3.57Å; L182-L225 HydrophobicContact CB-CD1 3.9Å; L182-L225 HydrophobicContact CB-CD2 4.5Å; L182-L225 HydrophobicContact CD1-CD1 3.82Å; L182-L225 HydrophobicContact CG-CD1 4.43Å |
| 183 | F | 87.8 | Confident | 85 | Confident | 149 Ų | 149 | 64.7 Ų | 64.7 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 177.1 | -107.1 | -84.3 | 0 | 0 | 0 | 112.2 | M179 R180 L181 E185 L187 | M179-F183 PolarHBondContact O-N 2.8Å; R180-F183 PolarHBondContact O-N 3.03Å; L181-F183 PolarHBondContact O-N 3.48Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.41Å; F183-L187 WeakPolarHBondContact O-CB 3.36Å; F183-L187 WeakPolarHBondContact O-CG 3.19Å; F183-L187 PolarHBondContact O-N 3.27Å; F183-L187 VanDerWaalsContact O-N 3.12Å |
| 184 | E | 82.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 65.5 Ų | 65.5 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.6 | -71.5 | 175.5 | -170.5 | 0 | 0 | 111.6 | K176 R180 L181 | K176-E184 WeakPolarHBondContact CD-OE2 3.49Å; K176-E184 IonicContact NZ-OE1 3.01Å; K176-E184 PolarHBondContact NZ-OE1 3.35Å; K176-E184 IonicContact NZ-OE2 3.08Å; K176-E184 PolarHBondContact NZ-OE2 3.03Å; R180-E184 IonicContact CZ-OE1 3.01Å; R180-E184 IonicContact NE-OE1 2.91Å; R180-E184 PolarHBondContact NE-OE1 2.67Å; R180-E184 IonicContact NH2-OE1 3.09Å; R180-E184 WeakPolarHBondContact O-CG 3.49Å; R180-E184 PolarHBondContact O-N 3.44Å; L181-E184 PolarHBondContact O-N 3.29Å |
| 185 | E | 83.4 | Confident | 85.3 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.8 | -46.1 | 178.6 | -169.4 | 68.6 | -173.8 | 0 | 0 | 111.7 | L181 L182 F183 L187 N188 Y191 L225 | L181-E185 VanDerWaalsContact O-CB 3.27Å; L181-E185 WeakPolarHBondContact O-CB 3.22Å; L181-E185 PolarHBondContact O-N 3.27Å; L182-E185 PolarHBondContact O-N 2.7Å; F183-E185 VanDerWaalsContact C-N 3.33Å; F183-E185 PolarHBondContact O-N 3.41Å; E185-L187 PolarHBondContact O-N 3.03Å; E185-N188 WeakPolarHBondContact O-CB 3.48Å; E185-N188 PolarHBondContact O-N 2.79Å; E185-Y191 HydrophobicContact CG-CD2 4.3Å; E185-Y191 HydrophobicContact CG-CE2 3.88Å; E185-Y191 VanDerWaalsContact O-CD2 3.29Å; E185-Y191 WeakPolarHBondContact O-CD2 3.46Å; E185-Y191 WeakPolarHBondContact OE1-CE2 3.45Å; E185-L225 HydrophobicContact CB-CD2 4.35Å |
| 186 | V | 84.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -29.8 | 179.5 | 170.7 | 0 | 0 | 0 | 0 | 112 | L182 N188 I192 I221 | L182-V186 HydrophobicContact CD1-CG2 3.85Å; L182-V186 HydrophobicContact CG-CG2 4.34Å; L182-V186 WeakPolarHBondContact O-CB 3.46Å; L182-V186 VanDerWaalsContact O-CG2 3.23Å; L182-V186 WeakPolarHBondContact O-CG2 3.47Å; L182-V186 PolarHBondContact O-N 3.47Å; V186-N188 PolarHBondContact O-N 3.31Å; V186-I192 WeakPolarHBondContact O-CG1 3.18Å; V186-I221 HydrophobicContact CG2-CD1 4.4Å |
| 187 | L | 84.4 | Confident | 85.3 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.8 | 175.1 | -72.5 | 173.7 | 0 | 0 | 0 | 114 | I40 W44 F183 E185 I192 | I40-L187 HydrophobicContact CD1-CD2 4.47Å; I40-L187 HydrophobicContact CG1-CD2 3.96Å; W44-L187 PolarHBondContact NE1-O 3.42Å; F183-L187 WeakPolarHBondContact O-CB 3.36Å; F183-L187 WeakPolarHBondContact O-CG 3.19Å; F183-L187 PolarHBondContact O-N 3.27Å; F183-L187 VanDerWaalsContact O-N 3.12Å; E185-L187 PolarHBondContact O-N 3.03Å; L187-I192 HydrophobicContact CD2-CD1 4.32Å |
| 188 | N | 80.2 | Confident | 85.2 | Confident | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -62.8 | 132.2 | 169.6 | -171.3 | -43 | 0 | 0 | 0 | 109.9 | E185 V186 F190 Y191 I192 | E185-N188 WeakPolarHBondContact O-CB 3.48Å; E185-N188 PolarHBondContact O-N 2.79Å; V186-N188 PolarHBondContact O-N 3.31Å; N188-F190 PolarHBondContact O-N 2.98Å; N188-F190 PolarHBondContact OD1-N 3.16Å; N188-Y191 HydrophobicContact CB-CD2 4.02Å; N188-Y191 PolarHBondContact O-N 3.08Å; N188-I192 PolarHBondContact O-N 3.49Å; N188-I192 VanDerWaalsContact O-N 3.11Å |
| 189 | P | 78.5 | Confident | 85.1 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -48.2 | -34.4 | -177.5 | -29 | 31.4 | 0 | 0 | 0 | 115.2 | W44 F193 | W44-P189 HydrophobicContact CH2-CB 4.21Å; W44-P189 HydrophobicContact CH2-CG 4.08Å; W44-P189 HydrophobicContact CZ2-CB 4.05Å; W44-P189 HydrophobicContact CZ2-CG 3.6Å; P189-F193 WeakPolarHBondContact O-CB 3.43Å; P189-F193 PolarHBondContact O-N 2.91Å |
| 190 | F | 78.5 | Confident | 85 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 21% | 0.211 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -43.4 | 178.7 | -71.5 | -78.3 | 0 | 0 | 0 | 113.1 | N188 F193 Q194 L381 P426 | N188-F190 PolarHBondContact O-N 2.98Å; N188-F190 PolarHBondContact OD1-N 3.16Å; F190-F193 PolarHBondContact O-N 3.48Å; F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 2.85Å; F190-L381 HydrophobicContact CE1-CD2 4.2Å; F190-L381 HydrophobicContact CZ-CD2 4.22Å; F190-P426 HydrophobicContact CB-CG 3.98Å; F190-P426 HydrophobicContact CD1-CG 3.32Å; F190-P426 HydrophobicContact CD2-CB 4.46Å; F190-P426 HydrophobicContact CD2-CG 3.57Å; F190-P426 HydrophobicContact CE1-CG 3.56Å; F190-P426 HydrophobicContact CE2-CG 3.79Å; F190-P426 HydrophobicContact CG-CG 3.33Å; F190-P426 HydrophobicContact CZ-CG 3.79Å |
| 191 | Y | 82.8 | Confident | 84.9 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 12% | 0.122 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.4 | -35.1 | 178.4 | -71.3 | -62.7 | 0 | 0 | 0 | 111.7 | E185 N188 F193 Q194 V195 S220 I221 | E185-Y191 HydrophobicContact CG-CD2 4.3Å; E185-Y191 HydrophobicContact CG-CE2 3.88Å; E185-Y191 VanDerWaalsContact O-CD2 3.29Å; E185-Y191 WeakPolarHBondContact O-CD2 3.46Å; E185-Y191 WeakPolarHBondContact OE1-CE2 3.45Å; N188-Y191 HydrophobicContact CB-CD2 4.02Å; N188-Y191 PolarHBondContact O-N 3.08Å; Y191-F193 VanDerWaalsContact C-N 3.3Å; Y191-F193 PolarHBondContact O-N 3.37Å; Y191-Q194 VanDerWaalsContact CD1-OE1 3.23Å; Y191-Q194 WeakPolarHBondContact O-CB 3.3Å; Y191-Q194 PolarHBondContact O-N 3.45Å; Y191-V195 WeakPolarHBondContact O-CG2 3.41Å; Y191-V195 PolarHBondContact O-N 2.85Å; Y191-S220 PolarHBondContact OH-OG 2.9Å; Y191-I221 HydrophobicContact CD1-CD1 3.85Å; Y191-I221 HydrophobicContact CD1-CG1 4.13Å; Y191-I221 HydrophobicContact CE1-CD1 3.81Å; Y191-I221 HydrophobicContact CE1-CG1 3.58Å; Y191-I221 HydrophobicContact CE2-CG1 4.2Å; Y191-I221 HydrophobicContact CG-CD1 4.36Å |
| 192 | I | 83.6 | Confident | 84.8 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59 | -45.9 | 170.5 | -60.8 | -171.3 | 0 | 0 | 0 | 110.4 | I40 W44 V186 L187 N188 Q194 V195 F196 | I40-I192 HydrophobicContact CD1-CD1 4.37Å; I40-I192 HydrophobicContact CG2-CD1 3.86Å; W44-I192 HydrophobicContact CH2-CD1 4.06Å; W44-I192 HydrophobicContact CZ2-CD1 3.53Å; V186-I192 WeakPolarHBondContact O-CG1 3.18Å; L187-I192 HydrophobicContact CD2-CD1 4.32Å; N188-I192 PolarHBondContact O-N 3.49Å; N188-I192 VanDerWaalsContact O-N 3.11Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 3.34Å; I192-V195 PolarHBondContact O-N 3.5Å; I192-F196 WeakPolarHBondContact O-CB 3.32Å; I192-F196 PolarHBondContact O-N 3.34Å |
| 193 | F | 82.8 | Confident | 84.7 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.4 | -175.5 | -99.7 | 0 | 0 | 0 | 112.5 | P189 F190 Y191 F196 S197 V417 V421 | P189-F193 WeakPolarHBondContact O-CB 3.43Å; P189-F193 PolarHBondContact O-N 2.91Å; F190-F193 PolarHBondContact O-N 3.48Å; Y191-F193 VanDerWaalsContact C-N 3.3Å; Y191-F193 PolarHBondContact O-N 3.37Å; F193-F196 PolarHBondContact O-N 3.11Å; F193-S197 WeakPolarHBondContact O-CB 3.24Å; F193-S197 PolarHBondContact O-N 3.38Å; F193-S197 PolarHBondContact O-OG 3.33Å; F193-V417 HydrophobicContact CE2-CG1 4.34Å; F193-V421 HydrophobicContact CD1-CB 4.39Å; F193-V421 HydrophobicContact CD1-CG1 4.02Å; F193-V421 HydrophobicContact CE1-CB 3.54Å; F193-V421 HydrophobicContact CE1-CG1 3.65Å; F193-V421 HydrophobicContact CE2-CB 4.47Å; F193-V421 HydrophobicContact CZ-CB 3.57Å; F193-V421 HydrophobicContact CZ-CG1 4.07Å; F193-V421 HydrophobicContact CZ-CG2 4.18Å |
| 194 | Q | 84.3 | Confident | 84.3 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 174 | -74.3 | 179 | -0.3 | 0 | 0 | 112.3 | F190 Y191 I192 F196 S197 I198 S217 P423 | F190-Q194 WeakPolarHBondContact O-CG 3.47Å; F190-Q194 PolarHBondContact O-N 2.85Å; Y191-Q194 VanDerWaalsContact CD1-OE1 3.23Å; Y191-Q194 WeakPolarHBondContact O-CB 3.3Å; Y191-Q194 PolarHBondContact O-N 3.45Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 3.34Å; Q194-F196 VanDerWaalsContact C-N 3.33Å; Q194-F196 PolarHBondContact O-N 3.5Å; Q194-S197 PolarHBondContact O-N 3.46Å; Q194-S197 VanDerWaalsContact O-N 3.17Å; Q194-I198 VanDerWaalsContact O-CG1 3.29Å; Q194-I198 WeakPolarHBondContact O-CG1 3.08Å; Q194-I198 PolarHBondContact O-N 2.97Å; Q194-S217 PolarHBondContact OE1-OG 3.35Å; Q194-P423 HydrophobicContact CG-CB 3.9Å; Q194-P423 PolarHBondContact NE2-O 3.32Å |
| 195 | V | 86.5 | Confident | 84.2 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | Y191 I192 S197 I198 T199 | Y191-V195 WeakPolarHBondContact O-CG2 3.41Å; Y191-V195 PolarHBondContact O-N 2.85Å; I192-V195 PolarHBondContact O-N 3.5Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 3.45Å; V195-I198 PolarHBondContact O-N 2.89Å; V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.38Å; V195-T199 PolarHBondContact O-OG1 3.14Å |
| 196 | F | 86.8 | Confident | 84.1 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 41% | 0.408 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 173 | 171.3 | -102.6 | 0 | 0 | 0 | 111.6 | I192 F193 Q194 T199 L200 T418 | I192-F196 WeakPolarHBondContact O-CB 3.32Å; I192-F196 PolarHBondContact O-N 3.34Å; F193-F196 PolarHBondContact O-N 3.11Å; Q194-F196 VanDerWaalsContact C-N 3.33Å; Q194-F196 PolarHBondContact O-N 3.5Å; F196-T199 WeakPolarHBondContact O-CB 3.22Å; F196-T199 PolarHBondContact O-N 2.85Å; F196-L200 HydrophobicContact CE1-CD1 4.31Å; F196-L200 HydrophobicContact CZ-CD1 4.18Å; F196-L200 PolarHBondContact O-N 3.1Å; F196-T418 HydrophobicContact CE1-CG2 4.28Å |
| 197 | S | 86.8 | Confident | 84.1 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 179.8 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | F193 Q194 V195 T199 L200 W201 | F193-S197 WeakPolarHBondContact O-CB 3.24Å; F193-S197 PolarHBondContact O-N 3.38Å; F193-S197 PolarHBondContact O-OG 3.33Å; Q194-S197 PolarHBondContact O-N 3.46Å; Q194-S197 VanDerWaalsContact O-N 3.17Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 3.45Å; S197-T199 VanDerWaalsContact C-N 3.26Å; S197-T199 PolarHBondContact O-N 3.09Å; S197-L200 PolarHBondContact O-N 2.82Å; S197-W201 WeakPolarHBondContact O-CB 3.34Å; S197-W201 PolarHBondContact O-N 3.22Å |
| 198 | I | 88.4 | Confident | 84.2 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 14% | 0.138 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 175.7 | -68.6 | 164 | 0 | 0 | 0 | 110.9 | Q194 V195 W201 S202 A210 I213 F214 | Q194-I198 VanDerWaalsContact O-CG1 3.29Å; Q194-I198 WeakPolarHBondContact O-CG1 3.08Å; Q194-I198 PolarHBondContact O-N 2.97Å; V195-I198 PolarHBondContact O-N 2.89Å; I198-W201 HydrophobicContact CG1-CE3 4.43Å; I198-W201 HydrophobicContact CG1-CZ3 4.44Å; I198-S202 WeakPolarHBondContact O-CB 3.31Å; I198-S202 PolarHBondContact O-N 2.85Å; I198-S202 PolarHBondContact O-OG 3.39Å; I198-A210 HydrophobicContact CG2-CB 4.35Å; I198-I213 HydrophobicContact CD1-CG2 4.33Å; I198-I213 HydrophobicContact CG1-CG2 4.36Å; I198-F214 HydrophobicContact CD1-CB 4.18Å; I198-F214 HydrophobicContact CD1-CD2 4.49Å |
| 199 | T | 88.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.454 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | V195 F196 S197 W201 S202 I203 | V195-T199 WeakPolarHBondContact O-CB 3.37Å; V195-T199 PolarHBondContact O-N 3.38Å; V195-T199 PolarHBondContact O-OG1 3.14Å; F196-T199 WeakPolarHBondContact O-CB 3.22Å; F196-T199 PolarHBondContact O-N 2.85Å; S197-T199 VanDerWaalsContact C-N 3.26Å; S197-T199 PolarHBondContact O-N 3.09Å; T199-W201 PolarHBondContact O-N 2.85Å; T199-S202 PolarHBondContact O-N 3.42Å; T199-I203 HydrophobicContact CG2-CD1 4.14Å; T199-I203 VanDerWaalsContact O-CG1 3.32Å; T199-I203 WeakPolarHBondContact O-CG1 3.4Å; T199-I203 PolarHBondContact O-N 2.68Å; T199-I203 VanDerWaalsContact O-N 3.16Å |
| 200 | L | 88.3 | Confident | 84.7 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 178.7 | -167.4 | 159.9 | 0 | 0 | 0 | 111.3 | F196 S197 S202 I203 D204 I411 L414 D415 T418 | F196-L200 HydrophobicContact CE1-CD1 4.31Å; F196-L200 HydrophobicContact CZ-CD1 4.18Å; F196-L200 PolarHBondContact O-N 3.1Å; S197-L200 PolarHBondContact O-N 2.82Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 2.84Å; L200-I203 PolarHBondContact O-N 3.13Å; L200-I203 VanDerWaalsContact O-N 3.17Å; L200-D204 PolarHBondContact O-N 3.21Å; L200-I411 HydrophobicContact CD2-CG2 3.82Å; L200-I411 HydrophobicContact CG-CG2 4.3Å; L200-L414 HydrophobicContact CD1-CB 3.56Å; L200-D415 HydrophobicContact CD2-CB 3.8Å; L200-T418 HydrophobicContact CD1-CG2 4.08Å |
| 201 | W | 86.3 | Confident | 85.1 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -34.8 | 179.2 | -63 | -31.2 | 0 | 0 | 0 | 113.1 | S197 I198 T199 I203 D204 E205 Y206 Y209 A210 I213 D415 T418 | S197-W201 WeakPolarHBondContact O-CB 3.34Å; S197-W201 PolarHBondContact O-N 3.22Å; I198-W201 HydrophobicContact CG1-CE3 4.43Å; I198-W201 HydrophobicContact CG1-CZ3 4.44Å; T199-W201 PolarHBondContact O-N 2.85Å; W201-I203 VanDerWaalsContact C-N 3.32Å; W201-I203 PolarHBondContact O-N 3.07Å; W201-D204 CarbonylContact O-C 3.58Å; W201-D204 PolarHBondContact O-N 3.32Å; W201-E205 PolarHBondContact O-N 3.3Å; W201-Y206 WeakPolarHBondContact O-CA 3.36Å; W201-Y206 WeakPolarHBondContact O-CB 3.49Å; W201-Y206 PolarHBondContact O-N 3.21Å; W201-Y209 AromaticContact CD2-CD1 3.91Å; W201-Y209 HydrophobicContact CD2-CD1 3.91Å; W201-Y209 AromaticContact CD2-CE1 3.88Å; W201-Y209 HydrophobicContact CD2-CE1 3.88Å; W201-Y209 AromaticContact CE2-CE1 3.86Å; W201-Y209 AromaticContact CE3-CD1 3.77Å; W201-Y209 HydrophobicContact CE3-CD1 3.77Å; W201-Y209 AromaticContact CE3-CE1 3.69Å; W201-Y209 HydrophobicContact CE3-CE1 3.69Å; W201-Y209 HydrophobicContact CG-CD1 4.46Å; W201-Y209 HydrophobicContact CH2-CD1 4.44Å; W201-Y209 AromaticContact CH2-CE1 3.54Å; W201-Y209 HydrophobicContact CH2-CE1 3.54Å; W201-Y209 AromaticContact CZ2-CE1 3.71Å; W201-Y209 HydrophobicContact CZ2-CE1 3.71Å; W201-Y209 HydrophobicContact CZ3-CD1 4.05Å; W201-Y209 AromaticContact CZ3-CE1 3.53Å; W201-Y209 HydrophobicContact CZ3-CE1 3.53Å; W201-A210 HydrophobicContact CB-CB 4.06Å; W201-I213 HydrophobicContact CZ3-CB 4.49Å; W201-I213 HydrophobicContact CZ3-CG1 4.31Å; W201-I213 HydrophobicContact CZ3-CG2 4.39Å; W201-D415 VanDerWaalsContact CD1-OD1 3.31Å; W201-D415 PolarHBondContact NE1-OD1 3.48Å; W201-T418 PolarHBondContact NE1-OG1 3.33Å |
| 202 | S | 86.9 | Confident | 85.2 | Confident | 42 Ų | 42 | 57 Ų | 57 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 176 | -59 | 0 | 0 | 0 | 0 | 112.1 | I198 T199 L200 Y207 | I198-S202 WeakPolarHBondContact O-CB 3.31Å; I198-S202 PolarHBondContact O-N 2.85Å; I198-S202 PolarHBondContact O-OG 3.39Å; T199-S202 PolarHBondContact O-N 3.42Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 2.84Å; S202-Y207 WeakPolarHBondContact O-CE1 3.39Å |
| 203 | I | 86.5 | Confident | 85.2 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -74.5 | -33.3 | 176.1 | -60.1 | 165 | 0 | 0 | 0 | 110.8 | T199 L200 W201 E205 I411 | T199-I203 HydrophobicContact CG2-CD1 4.14Å; T199-I203 VanDerWaalsContact O-CG1 3.32Å; T199-I203 WeakPolarHBondContact O-CG1 3.4Å; T199-I203 PolarHBondContact O-N 2.68Å; T199-I203 VanDerWaalsContact O-N 3.16Å; L200-I203 PolarHBondContact O-N 3.13Å; L200-I203 VanDerWaalsContact O-N 3.17Å; W201-I203 VanDerWaalsContact C-N 3.32Å; W201-I203 PolarHBondContact O-N 3.07Å; I203-E205 PolarHBondContact O-N 2.91Å; I203-I411 HydrophobicContact CB-CD1 4.4Å; I203-I411 HydrophobicContact CG2-CD1 3.46Å; I203-I411 VanDerWaalsContact CG2-CD1 3.46Å |
| 204 | D | 79.1 | Confident | 85.5 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 16.9 | 177.1 | -156.9 | 28.3 | 0 | 0 | 0 | 113.7 | L200 W201 Y206 I411 R412 | L200-D204 PolarHBondContact O-N 3.21Å; W201-D204 CarbonylContact O-C 3.58Å; W201-D204 PolarHBondContact O-N 3.32Å; D204-Y206 HydrophobicContact CB-CD2 4.44Å; D204-Y206 PolarHBondContact O-N 2.9Å; D204-Y206 WeakPolarHBondContact OD2-CE2 3.28Å; D204-I411 HydrophobicContact CB-CG2 3.76Å; D204-R412 IonicContact OD1-CZ 3.67Å; D204-R412 IonicContact OD1-NE 2.72Å; D204-R412 PolarHBondContact OD1-NE 2.88Å; D204-R412 IonicContact OD1-NH2 3.85Å; D204-R412 PolarHBondContact OD1-NH2 2.93Å; D204-R412 IonicContact OD2-CZ 2.85Å; D204-R412 IonicContact OD2-NE 3.28Å; D204-R412 PolarHBondContact OD2-NE 2.83Å; D204-R412 IonicContact OD2-NH1 3.49Å; D204-R412 PolarHBondContact OD2-NH1 2.97Å; D204-R412 VanDerWaalsContact OD2-NH1 3.09Å; D204-R412 IonicContact OD2-NH2 2.8Å; D204-R412 PolarHBondContact OD2-NH2 2.9Å |
| 205 | E | 81.9 | Confident | 85.7 | Confident | 141 Ų | 141 | 62 Ų | 62 | 66% | 0.659 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 16.9 | 178.7 | -56.3 | -175.9 | 167.8 | 0 | 0 | 116 | W201 I203 Y207 | W201-E205 PolarHBondContact O-N 3.3Å; I203-E205 PolarHBondContact O-N 2.91Å; E205-Y207 HydrophobicContact CB-CE2 3.93Å; E205-Y207 HydrophobicContact CG-CE2 4.23Å; E205-Y207 WeakPolarHBondContact O-CD2 3.5Å; E205-Y207 PolarHBondContact O-N 3.26Å |
| 206 | Y | 80.6 | Confident | 85.5 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | trans | -84.6 | 52 | 176.5 | -65.1 | -20.5 | 0 | 0 | 0 | 113.3 | W201 D204 Y208 Y209 A210 R412 D913 | W201-Y206 WeakPolarHBondContact O-CA 3.36Å; W201-Y206 WeakPolarHBondContact O-CB 3.49Å; W201-Y206 PolarHBondContact O-N 3.21Å; D204-Y206 HydrophobicContact CB-CD2 4.44Å; D204-Y206 PolarHBondContact O-N 2.9Å; D204-Y206 WeakPolarHBondContact OD2-CE2 3.28Å; Y206-Y208 PolarHBondContact O-N 3.33Å; Y206-Y209 PolarHBondContact O-N 2.86Å; Y206-A210 WeakPolarHBondContact O-CB 3.45Å; Y206-A210 PolarHBondContact O-N 2.75Å; Y206-R412 PolarHBondContact OH-NH1 3.32Å; Y206-D913 WeakPolarHBondContact CD1-OD1 3.33Å; Y206-D913 WeakPolarHBondContact CE1-OD1 3.38Å | ||
| 207 | Y | 84.8 | Confident | 85.3 | Confident | 136 Ų | 136 | 58 Ų | 58 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | -171.8 | -59.6 | -67.9 | 0 | 0 | 0 | 114 | S202 E205 L211 | S202-Y207 WeakPolarHBondContact O-CE1 3.39Å; E205-Y207 HydrophobicContact CB-CE2 3.93Å; E205-Y207 HydrophobicContact CG-CE2 4.23Å; E205-Y207 WeakPolarHBondContact O-CD2 3.5Å; E205-Y207 PolarHBondContact O-N 3.26Å; Y207-L211 WeakPolarHBondContact O-CB 3.27Å; Y207-L211 PolarHBondContact O-N 3.34Å |
| 208 | Y | 85.1 | Confident | 85.4 | Confident | 171 Ų | 171 | 60.9 Ų | 60.9 | 67% | 0.671 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.9 | -45.7 | -177.7 | -65.5 | -71 | 0 | 0 | 0 | 112.2 | Y206 C212 | Y206-Y208 PolarHBondContact O-N 3.33Å; Y208-C212 PolarHBondContact O-N 3.15Å; Y208-C212 VanDerWaalsContact O-N 3.1Å; Y208-C212 PolarHBondContact O-SG 3.33Å; Y208-C212 VanDerWaalsContact O-SG 3.39Å |
| 209 | Y | 82.6 | Confident | 85.3 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 8% | 0.082 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 179.5 | -177.5 | -103.5 | 0 | 0 | 0 | 110.9 | W201 Y206 L211 C212 I213 F916 L917 D920 | W201-Y209 AromaticContact CD2-CD1 3.91Å; W201-Y209 HydrophobicContact CD2-CD1 3.91Å; W201-Y209 AromaticContact CD2-CE1 3.88Å; W201-Y209 HydrophobicContact CD2-CE1 3.88Å; W201-Y209 AromaticContact CE2-CE1 3.86Å; W201-Y209 AromaticContact CE3-CD1 3.77Å; W201-Y209 HydrophobicContact CE3-CD1 3.77Å; W201-Y209 AromaticContact CE3-CE1 3.69Å; W201-Y209 HydrophobicContact CE3-CE1 3.69Å; W201-Y209 HydrophobicContact CG-CD1 4.46Å; W201-Y209 HydrophobicContact CH2-CD1 4.44Å; W201-Y209 AromaticContact CH2-CE1 3.54Å; W201-Y209 HydrophobicContact CH2-CE1 3.54Å; W201-Y209 AromaticContact CZ2-CE1 3.71Å; W201-Y209 HydrophobicContact CZ2-CE1 3.71Å; W201-Y209 HydrophobicContact CZ3-CD1 4.05Å; W201-Y209 AromaticContact CZ3-CE1 3.53Å; W201-Y209 HydrophobicContact CZ3-CE1 3.53Å; Y206-Y209 PolarHBondContact O-N 2.86Å; Y209-L211 VanDerWaalsContact C-N 3.32Å; Y209-L211 PolarHBondContact O-N 2.79Å; Y209-C212 PolarHBondContact O-N 2.81Å; Y209-I213 HydrophobicContact CE1-CG1 4.26Å; Y209-I213 HydrophobicContact CE2-CG1 4.42Å; Y209-I213 PolarHBondContact O-N 3.01Å; Y209-I213 VanDerWaalsContact O-N 3.12Å; Y209-F916 HydrophobicContact CD2-CB 4.43Å; Y209-F916 HydrophobicContact CE2-CB 4.4Å; Y209-L917 HydrophobicContact CD2-CB 4.42Å; Y209-L917 HydrophobicContact CD2-CD1 4.27Å; Y209-D920 HydrophobicContact CE2-CB 4.41Å; Y209-D920 WeakPolarHBondContact CE2-OD2 3.44Å; Y209-D920 PolarHBondContact OH-OD2 3.07Å |
| 210 | A | 86.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I198 W201 Y206 F214 | I198-A210 HydrophobicContact CG2-CB 4.35Å; W201-A210 HydrophobicContact CB-CB 4.06Å; Y206-A210 WeakPolarHBondContact O-CB 3.45Å; Y206-A210 PolarHBondContact O-N 2.75Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.45Å; A210-F214 PolarHBondContact O-N 2.67Å |
| 211 | L | 88.5 | Confident | 84.8 | Confident | 97 Ų | 97 | 63.4 Ų | 63.4 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 178.3 | -179.2 | 64.6 | 0 | 0 | 0 | 112.4 | Y207 Y209 F214 I215 | Y207-L211 WeakPolarHBondContact O-CB 3.27Å; Y207-L211 PolarHBondContact O-N 3.34Å; Y209-L211 VanDerWaalsContact C-N 3.32Å; Y209-L211 PolarHBondContact O-N 2.79Å; L211-F214 PolarHBondContact O-N 3.13Å; L211-I215 HydrophobicContact CD1-CD1 4.28Å; L211-I215 HydrophobicContact CD1-CG1 4.5Å; L211-I215 HydrophobicContact CG-CD1 4.11Å; L211-I215 WeakPolarHBondContact O-CG1 3.38Å; L211-I215 PolarHBondContact O-N 2.97Å |
| 212 | C | 84.9 | Confident | 84.8 | Confident | 38 Ų | 38 | 66 Ų | 66 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 178.5 | -75.2 | 0 | 0 | 0 | 0 | 112 | Y208 Y209 F214 I215 I216 L917 | Y208-C212 PolarHBondContact O-N 3.15Å; Y208-C212 VanDerWaalsContact O-N 3.1Å; Y208-C212 PolarHBondContact O-SG 3.33Å; Y208-C212 VanDerWaalsContact O-SG 3.39Å; Y209-C212 PolarHBondContact O-N 2.81Å; C212-F214 VanDerWaalsContact C-N 3.34Å; C212-I215 PolarHBondContact O-N 2.75Å; C212-I216 WeakPolarHBondContact O-CG1 3.48Å; C212-I216 PolarHBondContact O-N 2.95Å; C212-I216 VanDerWaalsContact O-N 3.08Å; C212-L917 HydrophobicContact CB-CD1 3.86Å |
| 213 | I | 83.1 | Confident | 84.7 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.9 | -62.7 | -60.8 | 0 | 0 | 0 | 110.7 | I198 W201 Y209 I215 I216 S217 | I198-I213 HydrophobicContact CD1-CG2 4.33Å; I198-I213 HydrophobicContact CG1-CG2 4.36Å; W201-I213 HydrophobicContact CZ3-CB 4.49Å; W201-I213 HydrophobicContact CZ3-CG1 4.31Å; W201-I213 HydrophobicContact CZ3-CG2 4.39Å; Y209-I213 HydrophobicContact CE1-CG1 4.26Å; Y209-I213 HydrophobicContact CE2-CG1 4.42Å; Y209-I213 PolarHBondContact O-N 3.01Å; Y209-I213 VanDerWaalsContact O-N 3.12Å; I213-I215 PolarHBondContact O-N 3.16Å; I213-I216 PolarHBondContact O-N 3.29Å; I213-S217 WeakPolarHBondContact O-CB 3.46Å; I213-S217 PolarHBondContact O-N 3.22Å; I213-S217 PolarHBondContact O-OG 3.24Å |
| 214 | F | 87.9 | Confident | 84.4 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 48% | 0.482 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.3 | -48.1 | 174.5 | 175.6 | -101.2 | 0 | 0 | 0 | 112.2 | I198 A210 L211 C212 I216 S217 V218 | I198-F214 HydrophobicContact CD1-CB 4.18Å; I198-F214 HydrophobicContact CD1-CD2 4.49Å; A210-F214 VanDerWaalsContact O-CB 3.29Å; A210-F214 WeakPolarHBondContact O-CB 3.45Å; A210-F214 PolarHBondContact O-N 2.67Å; L211-F214 PolarHBondContact O-N 3.13Å; C212-F214 VanDerWaalsContact C-N 3.34Å; F214-I216 PolarHBondContact O-N 3.2Å; F214-S217 PolarHBondContact O-N 2.75Å; F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CD2-CG2 4.36Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CZ-CG2 3.76Å; F214-V218 WeakPolarHBondContact O-CG2 3.32Å; F214-V218 PolarHBondContact O-N 2.84Å |
| 215 | I | 88.9 | Confident | 84.7 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.7 | -68.9 | 167.4 | 0 | 0 | 0 | 111 | L211 C212 I213 S217 V218 I219 | L211-I215 HydrophobicContact CD1-CD1 4.28Å; L211-I215 HydrophobicContact CD1-CG1 4.5Å; L211-I215 HydrophobicContact CG-CD1 4.11Å; L211-I215 WeakPolarHBondContact O-CG1 3.38Å; L211-I215 PolarHBondContact O-N 2.97Å; C212-I215 PolarHBondContact O-N 2.75Å; I213-I215 PolarHBondContact O-N 3.16Å; I215-S217 PolarHBondContact O-N 3.02Å; I215-V218 PolarHBondContact O-N 3.28Å; I215-I219 HydrophobicContact CG2-CD1 3.86Å; I215-I219 WeakPolarHBondContact O-CG1 3.35Å; I215-I219 PolarHBondContact O-N 2.62Å |
| 216 | I | 82.5 | Confident | 85 | Confident | 78 Ų | 78 | 64 Ų | 64 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 179.2 | -68 | 167.2 | 0 | 0 | 0 | 110.8 | C212 I213 F214 I219 S220 L921 | C212-I216 WeakPolarHBondContact O-CG1 3.48Å; C212-I216 PolarHBondContact O-N 2.95Å; C212-I216 VanDerWaalsContact O-N 3.08Å; I213-I216 PolarHBondContact O-N 3.29Å; F214-I216 PolarHBondContact O-N 3.2Å; I216-I219 PolarHBondContact O-N 2.95Å; I216-S220 WeakPolarHBondContact O-CB 3.47Å; I216-S220 PolarHBondContact O-N 3.33Å; I216-L921 HydrophobicContact CD1-CD1 3.81Å |
| 217 | S | 83.5 | Confident | 84.9 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 178.1 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | Q194 I213 F214 I215 I219 S220 I221 | Q194-S217 PolarHBondContact OE1-OG 3.35Å; I213-S217 WeakPolarHBondContact O-CB 3.46Å; I213-S217 PolarHBondContact O-N 3.22Å; I213-S217 PolarHBondContact O-OG 3.24Å; F214-S217 PolarHBondContact O-N 2.75Å; I215-S217 PolarHBondContact O-N 3.02Å; S217-I219 PolarHBondContact O-N 2.73Å; S217-S220 PolarHBondContact O-N 2.92Å; S217-I221 WeakPolarHBondContact O-CB 3.47Å; S217-I221 WeakPolarHBondContact O-CD1 3.46Å; S217-I221 VanDerWaalsContact O-CG1 3.22Å; S217-I221 WeakPolarHBondContact O-CG1 3.28Å; S217-I221 PolarHBondContact O-N 3.26Å |
| 218 | V | 87.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.3 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | F214 I215 S222 | F214-V218 HydrophobicContact CD1-CG2 4.39Å; F214-V218 HydrophobicContact CD2-CG2 4.36Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 HydrophobicContact CE2-CG2 3.96Å; F214-V218 HydrophobicContact CZ-CG2 3.76Å; F214-V218 WeakPolarHBondContact O-CG2 3.32Å; F214-V218 PolarHBondContact O-N 2.84Å; I215-V218 PolarHBondContact O-N 3.28Å; V218-S222 VanDerWaalsContact O-CB 3.3Å; V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.27Å; V218-S222 PolarHBondContact O-OG 2.86Å |
| 219 | I | 86.3 | Confident | 84.7 | Confident | 95 Ų | 95 | 59.3 Ų | 59.3 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 177 | -67.6 | 168.7 | 0 | 0 | 0 | 110.4 | I215 I216 S217 S222 I223 | I215-I219 HydrophobicContact CG2-CD1 3.86Å; I215-I219 WeakPolarHBondContact O-CG1 3.35Å; I215-I219 PolarHBondContact O-N 2.62Å; I216-I219 PolarHBondContact O-N 2.95Å; S217-I219 PolarHBondContact O-N 2.73Å; I219-S222 PolarHBondContact O-N 2.73Å; I219-I223 HydrophobicContact CG2-CD1 3.85Å; I219-I223 WeakPolarHBondContact O-CG1 3.15Å; I219-I223 PolarHBondContact O-N 3.4Å |
| 220 | S | 81.5 | Confident | 84.7 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | Y191 I216 S217 S222 I223 S224 | Y191-S220 PolarHBondContact OH-OG 2.9Å; I216-S220 WeakPolarHBondContact O-CB 3.47Å; I216-S220 PolarHBondContact O-N 3.33Å; S217-S220 PolarHBondContact O-N 2.92Å; S220-S222 VanDerWaalsContact C-N 3.35Å; S220-S222 PolarHBondContact O-N 2.84Å; S220-I223 PolarHBondContact O-N 2.83Å; S220-S224 WeakPolarHBondContact O-CB 3.33Å; S220-S224 PolarHBondContact O-N 2.92Å |
| 221 | I | 85.4 | Confident | 84.2 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.8 | -68.2 | 166.1 | 0 | 0 | 0 | 109.9 | L182 V186 Y191 S217 I223 S224 L225 | L182-I221 HydrophobicContact CD1-CG2 3.57Å; V186-I221 HydrophobicContact CG2-CD1 4.4Å; Y191-I221 HydrophobicContact CD1-CD1 3.85Å; Y191-I221 HydrophobicContact CD1-CG1 4.13Å; Y191-I221 HydrophobicContact CE1-CD1 3.81Å; Y191-I221 HydrophobicContact CE1-CG1 3.58Å; Y191-I221 HydrophobicContact CE2-CG1 4.2Å; Y191-I221 HydrophobicContact CG-CD1 4.36Å; S217-I221 WeakPolarHBondContact O-CB 3.47Å; S217-I221 WeakPolarHBondContact O-CD1 3.46Å; S217-I221 VanDerWaalsContact O-CG1 3.22Å; S217-I221 WeakPolarHBondContact O-CG1 3.28Å; S217-I221 PolarHBondContact O-N 3.26Å; I221-I223 PolarHBondContact O-N 3.39Å; I221-S224 PolarHBondContact O-N 3.49Å; I221-L225 HydrophobicContact CG2-CD1 3.64Å; I221-L225 HydrophobicContact CG2-CG 4.02Å; I221-L225 WeakPolarHBondContact O-CB 3.13Å; I221-L225 WeakPolarHBondContact O-CG 3.06Å; I221-L225 PolarHBondContact O-N 2.96Å |
| 222 | S | 87 | Confident | 83.8 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | -179.8 | -60 | 0 | 0 | 0 | 0 | 112.7 | V218 I219 S220 Y226 | V218-S222 VanDerWaalsContact O-CB 3.3Å; V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.27Å; V218-S222 PolarHBondContact O-OG 2.86Å; I219-S222 PolarHBondContact O-N 2.73Å; S220-S222 VanDerWaalsContact C-N 3.35Å; S220-S222 PolarHBondContact O-N 2.84Å; S222-Y226 WeakPolarHBondContact O-CB 3.29Å; S222-Y226 PolarHBondContact O-N 2.81Å |
| 223 | I | 83.3 | Confident | 83.8 | Confident | 92 Ų | 92 | 68 Ų | 68 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -48 | 176.2 | -67 | 168.8 | 0 | 0 | 0 | 110.3 | I219 S220 I221 L225 Y226 E227 | I219-I223 HydrophobicContact CG2-CD1 3.85Å; I219-I223 WeakPolarHBondContact O-CG1 3.15Å; I219-I223 PolarHBondContact O-N 3.4Å; S220-I223 PolarHBondContact O-N 2.83Å; I221-I223 PolarHBondContact O-N 3.39Å; I223-L225 PolarHBondContact O-N 2.87Å; I223-Y226 PolarHBondContact O-N 3.45Å; I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 2.91Å |
| 224 | S | 80.1 | Confident | 83.7 | Confident | 28 Ų | 28 | 70 Ų | 70 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -48.1 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | S220 I221 Y226 E227 I228 | S220-S224 WeakPolarHBondContact O-CB 3.33Å; S220-S224 PolarHBondContact O-N 2.92Å; I221-S224 PolarHBondContact O-N 3.49Å; S224-Y226 PolarHBondContact O-N 3.16Å; S224-E227 PolarHBondContact O-N 3.11Å; S224-I228 WeakPolarHBondContact O-CB 3.4Å; S224-I228 VanDerWaalsContact O-CG1 3.26Å; S224-I228 WeakPolarHBondContact O-CG1 3.33Å; S224-I228 PolarHBondContact O-N 2.98Å |
| 225 | L | 86.6 | Confident | 83 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.5 | -68 | 175.5 | 0 | 0 | 0 | 112.7 | Y178 L181 L182 E185 I221 I223 R229 | Y178-L225 HydrophobicContact CD1-CB 4.43Å; L181-L225 VanDerWaalsContact C-CD2 3.4Å; L181-L225 HydrophobicContact CB-CD2 3.42Å; L181-L225 VanDerWaalsContact CB-CD2 3.42Å; L182-L225 HydrophobicContact CB-CD1 3.9Å; L182-L225 HydrophobicContact CB-CD2 4.5Å; L182-L225 HydrophobicContact CD1-CD1 3.82Å; L182-L225 HydrophobicContact CG-CD1 4.43Å; E185-L225 HydrophobicContact CB-CD2 4.35Å; I221-L225 HydrophobicContact CG2-CD1 3.64Å; I221-L225 HydrophobicContact CG2-CG 4.02Å; I221-L225 WeakPolarHBondContact O-CB 3.13Å; I221-L225 WeakPolarHBondContact O-CG 3.06Å; I221-L225 PolarHBondContact O-N 2.96Å; I223-L225 PolarHBondContact O-N 2.87Å; L225-R229 WeakPolarHBondContact O-CB 3.49Å; L225-R229 PolarHBondContact O-N 3.42Å; L225-R229 VanDerWaalsContact O-N 3.09Å |
| 226 | Y | 87.6 | Confident | 82.8 | Confident | 128 Ų | 128 | 66.1 Ų | 66.1 | 50% | 0.502 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.3 | 176.5 | -97 | 0 | 0 | 0 | 111.2 | S222 I223 S224 K230 | S222-Y226 WeakPolarHBondContact O-CB 3.29Å; S222-Y226 PolarHBondContact O-N 2.81Å; I223-Y226 PolarHBondContact O-N 3.45Å; S224-Y226 PolarHBondContact O-N 3.16Å; Y226-K230 HydrophobicContact CE1-CD 3.96Å; Y226-K230 WeakPolarHBondContact O-CB 2.98Å; Y226-K230 PolarHBondContact O-N 2.76Å |
| 227 | E | 78.5 | Confident | 82.8 | Confident | 108 Ų | 108 | 68 Ų | 68 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 179.3 | -72.9 | -175.5 | 169.7 | 0 | 0 | 112.2 | I223 S224 R229 K230 Q231 | I223-E227 WeakPolarHBondContact O-CG 3.23Å; I223-E227 PolarHBondContact O-N 2.91Å; S224-E227 PolarHBondContact O-N 3.11Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.33Å; E227-K230 PolarHBondContact O-N 2.76Å; E227-Q231 WeakPolarHBondContact O-CB 3.06Å; E227-Q231 WeakPolarHBondContact O-CG 3.45Å; E227-Q231 PolarHBondContact O-N 3.13Å |
| 228 | I | 77.9 | Confident | 82.2 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 179.2 | -69.2 | 166 | 0 | 0 | 0 | 110.8 | L181 S224 S232 | L181-I228 HydrophobicContact CD1-CG2 4.25Å; L181-I228 HydrophobicContact CD2-CG2 3.87Å; S224-I228 WeakPolarHBondContact O-CB 3.4Å; S224-I228 VanDerWaalsContact O-CG1 3.26Å; S224-I228 WeakPolarHBondContact O-CG1 3.33Å; S224-I228 PolarHBondContact O-N 2.98Å; I228-S232 WeakPolarHBondContact O-CB 3.42Å; I228-S232 PolarHBondContact O-N 3.24Å; I228-S232 PolarHBondContact O-OG 2.98Å |
| 229 | R | 87.1 | Confident | 81.7 | Confident | 62 Ų | 62 | 70 Ų | 70 | 23% | 0.234 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 179.5 | -170.6 | -172.4 | 173.4 | 86 | -4.6 | 111.6 | V175 K176 Y178 L181 L225 E227 Q231 S232 I233 | V175-R229 HydrophobicContact CG1-CG 4.37Å; K176-R229 PolarHBondContact O-NH1 2.99Å; Y178-R229 HydrophobicContact CE1-CB 4.05Å; Y178-R229 HydrophobicContact CE1-CG 4.35Å; Y178-R229 WeakPolarHBondContact OH-CD 3.37Å; L181-R229 HydrophobicContact CD1-CB 4.04Å; L225-R229 WeakPolarHBondContact O-CB 3.49Å; L225-R229 PolarHBondContact O-N 3.42Å; L225-R229 VanDerWaalsContact O-N 3.09Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.33Å; R229-Q231 VanDerWaalsContact C-N 3.31Å; R229-Q231 PolarHBondContact O-N 3.31Å; R229-S232 PolarHBondContact O-N 3.38Å; R229-S232 VanDerWaalsContact O-N 3.17Å; R229-I233 HydrophobicContact CG-CD1 3.92Å; R229-I233 HydrophobicContact CG-CG1 4.4Å; R229-I233 WeakPolarHBondContact O-CG1 3.37Å; R229-I233 PolarHBondContact O-N 3.32Å |
| 230 | K | 84.4 | Confident | 81.5 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 177.5 | -179 | 176 | -179.7 | 174 | 0 | 110.8 | Y226 E227 S232 I233 T234 | Y226-K230 HydrophobicContact CE1-CD 3.96Å; Y226-K230 WeakPolarHBondContact O-CB 2.98Å; Y226-K230 PolarHBondContact O-N 2.76Å; E227-K230 PolarHBondContact O-N 2.76Å; K230-S232 PolarHBondContact O-N 3.39Å; K230-I233 PolarHBondContact O-N 2.98Å; K230-T234 PolarHBondContact O-N 2.97Å; K230-T234 PolarHBondContact O-OG1 3.46Å; K230-T234 VanDerWaalsContact O-OG1 3.09Å |
| 231 | Q | 75.4 | Confident | 81.5 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.9 | -44.7 | 175.4 | -72.6 | 175.2 | -16.3 | 0 | 0 | 112.1 | E227 R229 I233 T234 L235 | E227-Q231 WeakPolarHBondContact O-CB 3.06Å; E227-Q231 WeakPolarHBondContact O-CG 3.45Å; E227-Q231 PolarHBondContact O-N 3.13Å; R229-Q231 VanDerWaalsContact C-N 3.31Å; R229-Q231 PolarHBondContact O-N 3.31Å; Q231-I233 VanDerWaalsContact C-N 3.35Å; Q231-I233 PolarHBondContact O-N 3.48Å; Q231-T234 PolarHBondContact O-N 2.9Å; Q231-L235 WeakPolarHBondContact O-CB 3.46Å; Q231-L235 PolarHBondContact O-N 2.88Å |
| 232 | S | 79.8 | Confident | 81.6 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | I228 R229 K230 R236 | I228-S232 WeakPolarHBondContact O-CB 3.42Å; I228-S232 PolarHBondContact O-N 3.24Å; I228-S232 PolarHBondContact O-OG 2.98Å; R229-S232 PolarHBondContact O-N 3.38Å; R229-S232 VanDerWaalsContact O-N 3.17Å; K230-S232 PolarHBondContact O-N 3.39Å; S232-R236 WeakPolarHBondContact O-CB 3.37Å; S232-R236 PolarHBondContact O-N 3.05Å |
| 233 | I | 85.3 | Confident | 81.7 | Confident | 64 Ų | 64 | 72.4 Ų | 72.4 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 177 | -68.5 | 166.6 | 0 | 0 | 0 | 110.7 | V175 R229 K230 Q231 L235 R236 N237 | V175-I233 HydrophobicContact CG1-CG1 4.03Å; V175-I233 HydrophobicContact CG2-CG1 4.41Å; R229-I233 HydrophobicContact CG-CD1 3.92Å; R229-I233 HydrophobicContact CG-CG1 4.4Å; R229-I233 WeakPolarHBondContact O-CG1 3.37Å; R229-I233 PolarHBondContact O-N 3.32Å; K230-I233 PolarHBondContact O-N 2.98Å; Q231-I233 VanDerWaalsContact C-N 3.35Å; Q231-I233 PolarHBondContact O-N 3.48Å; I233-L235 VanDerWaalsContact C-N 3.29Å; I233-L235 PolarHBondContact O-N 2.86Å; I233-R236 PolarHBondContact O-N 2.8Å; I233-N237 PolarHBondContact O-N 3.09Å; I233-N237 PolarHBondContact O-OD1 2.8Å |
| 234 | T | 80.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 73.1 Ų | 73.1 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -45 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 111 | K230 Q231 N237 M238 | K230-T234 PolarHBondContact O-N 2.97Å; K230-T234 PolarHBondContact O-OG1 3.46Å; K230-T234 VanDerWaalsContact O-OG1 3.09Å; Q231-T234 PolarHBondContact O-N 2.9Å; T234-N237 PolarHBondContact O-N 3.08Å; T234-M238 HydrophobicContact CG2-CE 3.76Å; T234-M238 HydrophobicContact CG2-SD 4.14Å; T234-M238 WeakPolarHBondContact O-CG 3.38Å; T234-M238 PolarHBondContact O-N 3.2Å; T234-M238 VanDerWaalsContact O-N 3.11Å |
| 235 | L | 74.1 | Confident | 82.7 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.8 | -172.1 | 61.9 | 0 | 0 | 0 | 112.6 | V173 Q231 I233 N237 M238 A239 I363 L364 | V173-L235 HydrophobicContact CG1-CD2 4.5Å; V173-L235 HydrophobicContact CG2-CG 4.49Å; Q231-L235 WeakPolarHBondContact O-CB 3.46Å; Q231-L235 PolarHBondContact O-N 2.88Å; I233-L235 VanDerWaalsContact C-N 3.29Å; I233-L235 PolarHBondContact O-N 2.86Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.8Å; L235-M238 PolarHBondContact O-N 3.3Å; L235-A239 WeakPolarHBondContact O-CB 3.45Å; L235-A239 PolarHBondContact O-N 3.3Å; L235-I363 HydrophobicContact CD1-CG2 4.25Å; L235-I363 HydrophobicContact CD2-CG2 4.39Å; L235-L364 HydrophobicContact CD2-CD2 3.3Å; L235-L364 HydrophobicContact CD2-CG 4.18Å; L235-L364 HydrophobicContact CG-CD2 4.32Å |
| 236 | R | 84 | Confident | 82.9 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.4 | -170.6 | -178.3 | -166.2 | -178.2 | 6.3 | 111.9 | D172 V173 V175 S232 I233 M238 A239 R240 | D172-R236 IonicContact OD1-CZ 3.81Å; D172-R236 IonicContact OD1-NE 2.77Å; D172-R236 PolarHBondContact OD1-NE 2.86Å; D172-R236 IonicContact OD1-NH2 2.8Å; D172-R236 PolarHBondContact OD1-NH2 2.91Å; D172-R236 IonicContact OD2-NH2 3.6Å; D172-R236 PolarHBondContact OD2-NH2 2.83Å; D172-R236 VanDerWaalsContact OD2-NH2 3.17Å; V173-R236 HydrophobicContact CB-CB 4.01Å; V173-R236 HydrophobicContact CB-CG 4.21Å; V175-R236 HydrophobicContact CG2-CB 4.12Å; V175-R236 HydrophobicContact CG2-CG 4.49Å; S232-R236 WeakPolarHBondContact O-CB 3.37Å; S232-R236 PolarHBondContact O-N 3.05Å; I233-R236 PolarHBondContact O-N 2.8Å; R236-M238 VanDerWaalsContact C-N 3.3Å; R236-M238 PolarHBondContact O-N 2.8Å; R236-A239 PolarHBondContact O-N 3.11Å; R236-R240 WeakPolarHBondContact O-CB 3.5Å; R236-R240 PolarHBondContact O-N 3.17Å |
| 237 | N | 82.2 | Confident | 83.1 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.3 | -29.6 | -179.6 | -68.4 | -6 | 0 | 0 | 0 | 112.7 | I233 T234 L235 | I233-N237 PolarHBondContact O-N 3.09Å; I233-N237 PolarHBondContact O-OD1 2.8Å; T234-N237 PolarHBondContact O-N 3.08Å; L235-N237 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 2.8Å |
| 238 | M | 72.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -75.5 | -38.2 | 174.1 | -70.2 | 170.6 | 170 | 0 | 0 | 112.2 | T234 L235 R236 | T234-M238 HydrophobicContact CG2-CE 3.76Å; T234-M238 HydrophobicContact CG2-SD 4.14Å; T234-M238 WeakPolarHBondContact O-CG 3.38Å; T234-M238 PolarHBondContact O-N 3.2Å; T234-M238 VanDerWaalsContact O-N 3.11Å; L235-M238 PolarHBondContact O-N 3.3Å; R236-M238 VanDerWaalsContact C-N 3.3Å; R236-M238 PolarHBondContact O-N 2.8Å |
| 239 | A | 76.4 | Confident | 84.2 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.2 | -40.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I171 V173 L235 R236 F241 V360 | I171-A239 HydrophobicContact CG2-CB 4.05Å; V173-A239 HydrophobicContact CG2-CB 3.89Å; L235-A239 WeakPolarHBondContact O-CB 3.45Å; L235-A239 PolarHBondContact O-N 3.3Å; R236-A239 PolarHBondContact O-N 3.11Å; A239-F241 PolarHBondContact O-N 3.24Å; A239-V360 HydrophobicContact CB-CG1 3.89Å; A239-V360 HydrophobicContact CB-CG2 4.26Å |
| 240 | R | 81.6 | Confident | 84.2 | Confident | 98 Ų | 98 | 64.8 Ų | 64.8 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | trans | -77.3 | 115.3 | -174.4 | -171.8 | 173 | -177.5 | 165.7 | 4.2 | 110.7 | L170 R236 I242 E260 | L170-R240 HydrophobicContact CD1-CG 3.83Å; R236-R240 WeakPolarHBondContact O-CB 3.5Å; R236-R240 PolarHBondContact O-N 3.17Å; R240-I242 HydrophobicContact CG-CD1 4.46Å; R240-E260 IonicContact NH2-OE1 3.68Å; R240-E260 PolarHBondContact NH2-OE1 2.96Å | ||
| 241 | F | 82.2 | Confident | 84 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 31% | 0.311 | 32% | 0.323 | S | S | . | . | trans | -129.6 | 125.7 | 175.1 | 179.4 | -103.2 | 0 | 0 | 0 | 109.4 | A239 T243 V276 P278 | A239-F241 PolarHBondContact O-N 3.24Å; F241-T243 HydrophobicContact CE1-CG2 3.63Å; F241-T243 HydrophobicContact CZ-CG2 3.97Å; F241-V276 HydrophobicContact CE1-CB 4.09Å; F241-V276 HydrophobicContact CE1-CG1 3.87Å; F241-V276 HydrophobicContact CE2-CB 4.27Å; F241-V276 HydrophobicContact CE2-CG1 4.18Å; F241-V276 HydrophobicContact CZ-CB 3.6Å; F241-V276 HydrophobicContact CZ-CG1 3.7Å; F241-P278 HydrophobicContact CD1-CB 4.19Å; F241-P278 HydrophobicContact CE1-CB 4.19Å | ||
| 242 | I | 87.1 | Confident | 84.2 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 36% | 0.359 | 32% | 0.317 | S | S | . | . | trans | -130.5 | 129.8 | 177.8 | -58.5 | 160.8 | 0 | 0 | 0 | 107.5 | L170 R240 S259 E260 | L170-I242 HydrophobicContact CD1-CD1 4.27Å; L170-I242 HydrophobicContact CD1-CG1 4.01Å; R240-I242 HydrophobicContact CG-CD1 4.46Å; I242-S259 WeakPolarHBondContact CA-OG 3.33Å; I242-E260 HydrophobicContact CD1-CG 4.26Å; I242-E260 WeakPolarHBondContact CD1-OE1 3.48Å; I242-E260 HydrophobicContact CG1-CG 3.97Å; I242-E260 HydrophobicContact CG2-CG 4.15Å | ||
| 243 | T | 90.2 | Very high | 84.5 | Confident | 39 Ų | 39 | 63.8 Ų | 63.8 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | trans | -142.7 | 160.9 | 175.3 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | F241 V245 S259 P278 | F241-T243 HydrophobicContact CE1-CG2 3.63Å; F241-T243 HydrophobicContact CZ-CG2 3.97Å; T243-V245 HydrophobicContact CG2-CG1 4.02Å; T243-S259 PolarHBondContact N-OG 3.03Å; T243-S259 WeakPolarHBondContact O-CA 3.31Å; T243-S259 WeakPolarHBondContact O-CB 2.93Å; T243-S259 PolarHBondContact O-N 3.22Å; T243-S259 PolarHBondContact O-OG 3.2Å; T243-P278 HydrophobicContact CG2-CB 4.17Å; T243-P278 HydrophobicContact CG2-CG 4.1Å | ||
| 244 | N | 92.4 | Very high | 84.6 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 138.1 | 170.7 | -67.4 | -13.8 | 0 | 0 | 0 | 109.3 | V257 | N244-V257 WeakPolarHBondContact CA-O 3.23Å |
| 245 | V | 91.5 | Very high | 85 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.6 | 179 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | T243 I247 C256 V257 L262 L268 P278 | T243-V245 HydrophobicContact CG2-CG1 4.02Å; V245-I247 HydrophobicContact CG2-CG2 4.44Å; V245-C256 WeakPolarHBondContact O-CA 3.38Å; V245-V257 PolarHBondContact N-O 3.26Å; V245-V257 PolarHBondContact O-N 3.05Å; V245-L262 HydrophobicContact CG2-CD1 3.96Å; V245-L262 HydrophobicContact CG2-CD2 3.82Å; V245-L262 HydrophobicContact CG2-CG 4.09Å; V245-L268 HydrophobicContact CB-CD2 3.91Å; V245-L268 HydrophobicContact CG1-CD2 4.42Å; V245-L268 HydrophobicContact CG2-CD2 3.89Å; V245-P278 HydrophobicContact CG1-CG 3.76Å |
| 246 | T | 91.8 | Very high | 85.8 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.2 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 109.2 | E254 D255 I269 | T246-E254 HydrophobicContact CG2-CB 3.94Å; T246-D255 CarbonylContact C-O 3.56Å; T246-D255 VanDerWaalsContact CA-O 3.32Å; T246-D255 WeakPolarHBondContact CA-O 3.41Å; T246-I269 HydrophobicContact CG2-CB 4.4Å; T246-I269 HydrophobicContact CG2-CG1 4.39Å; T246-I269 PolarHBondContact O-N 2.81Å |
| 247 | I | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.8 | 174.7 | 61.2 | 170.2 | 0 | 0 | 0 | 110.6 | V245 R249 E254 D255 V257 L262 C267 L268 | V245-I247 HydrophobicContact CG2-CG2 4.44Å; I247-R249 VanDerWaalsContact CD1-CZ 3.46Å; I247-E254 CarbonylContact O-C 3.5Å; I247-E254 WeakPolarHBondContact O-CA 3.32Å; I247-D255 HydrophobicContact CG1-CB 4.21Å; I247-D255 PolarHBondContact N-O 2.95Å; I247-D255 PolarHBondContact O-N 2.89Å; I247-V257 HydrophobicContact CD1-CB 4.3Å; I247-V257 HydrophobicContact CD1-CG2 3.69Å; I247-V257 HydrophobicContact CG1-CB 4.46Å; I247-V257 HydrophobicContact CG1-CG2 3.84Å; I247-L262 HydrophobicContact CG2-CD2 3.78Å; I247-C267 CarbonylContact C-O 3.31Å; I247-C267 WeakPolarHBondContact CA-O 3.38Å; I247-L268 HydrophobicContact CG2-CD2 3.91Å |
| 248 | R | 89.9 | Confident | 86.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.7 | 170.6 | -177 | 172.5 | -66.3 | 152.5 | 1.1 | 110 | G153 E253 E254 C267 I269 | G153-R248 WeakPolarHBondContact CA-O 3.48Å; R248-E253 WeakPolarHBondContact CA-O 3.18Å; R248-E254 IonicContact CZ-OE1 3.17Å; R248-E254 IonicContact NE-OE1 2.66Å; R248-E254 IonicContact NH2-OE1 3.98Å; R248-E254 PolarHBondContact NH2-OE1 3.3Å; R248-C267 HydrophobicContact CB-CB 4.21Å; R248-C267 PolarHBondContact N-O 2.88Å; R248-I269 HydrophobicContact CB-CD1 4.44Å |
| 249 | R | 88.6 | Confident | 87.6 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 160.9 | 173.7 | -58.9 | -58.6 | -169 | 169.8 | 1.5 | 111.2 | N152 Q159 I247 S251 G252 E253 D255 | N152-R249 CarbonylContact O-C 3.51Å; Q159-R249 VanDerWaalsContact OE1-NH2 3.16Å; I247-R249 VanDerWaalsContact CD1-CZ 3.46Å; R249-S251 PolarHBondContact O-N 3Å; R249-S251 VanDerWaalsContact O-N 3.16Å; R249-G252 WeakPolarHBondContact O-CA 3.4Å; R249-G252 PolarHBondContact O-N 3.21Å; R249-E253 PolarHBondContact N-O 3.29Å; R249-D255 WeakPolarHBondContact CG-OD2 3.4Å; R249-D255 IonicContact CZ-OD2 2.66Å; R249-D255 IonicContact NE-OD2 3.43Å; R249-D255 PolarHBondContact NE-OD2 2.98Å; R249-D255 IonicContact NH2-OD2 2.6Å |
| 250 | D | 86.3 | Confident | 88.4 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -29.6 | 173.8 | 65 | -19.6 | 0 | 0 | 0 | 113.8 | N152 S155 G252 | N152-D250 VanDerWaalsContact O-CA 3.3Å; N152-D250 WeakPolarHBondContact O-CA 3.37Å; N152-D250 PolarHBondContact O-N 3.45Å; S155-D250 WeakPolarHBondContact CA-OD2 3.28Å; S155-D250 WeakPolarHBondContact CB-OD2 3.36Å; D250-G252 PolarHBondContact O-N 3.24Å |
| 251 | S | 81.4 | Confident | 88.9 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.2 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | R249 E253 | R249-S251 PolarHBondContact O-N 3Å; R249-S251 VanDerWaalsContact O-N 3.16Å; S251-E253 VanDerWaalsContact C-N 3.33Å; S251-E253 PolarHBondContact OG-N 2.9Å |
| 252 | G | 79.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 86.6 | -3.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | R249 D250 | R249-G252 WeakPolarHBondContact O-CA 3.4Å; R249-G252 PolarHBondContact O-N 3.21Å; D250-G252 PolarHBondContact O-N 3.24Å |
| 253 | E | 85.4 | Confident | 89.6 | Confident | 131 Ų | 131 | 48.6 Ų | 48.6 | 61% | 0.612 | 27% | 0.273 | S | S | * | . | trans | -74.3 | 148.4 | 176.4 | -64.9 | -174.6 | 156.7 | 0 | 0 | 111.8 | R248 R249 S251 | R248-E253 WeakPolarHBondContact CA-O 3.18Å; R249-E253 PolarHBondContact N-O 3.29Å; S251-E253 VanDerWaalsContact C-N 3.33Å; S251-E253 PolarHBondContact OG-N 2.9Å | ||
| 254 | E | 88.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 109.7 | -179 | -63.8 | -173.7 | 165.9 | 0 | 0 | 110.1 | T246 I247 R248 R337 | T246-E254 HydrophobicContact CG2-CB 3.94Å; I247-E254 CarbonylContact O-C 3.5Å; I247-E254 WeakPolarHBondContact O-CA 3.32Å; R248-E254 IonicContact CZ-OE1 3.17Å; R248-E254 IonicContact NE-OE1 2.66Å; R248-E254 IonicContact NH2-OE1 3.98Å; R248-E254 PolarHBondContact NH2-OE1 3.3Å; E254-R337 IonicContact OE1-CZ 2.98Å; E254-R337 VanDerWaalsContact OE1-CZ 3.28Å; E254-R337 IonicContact OE1-NE 2.68Å; E254-R337 IonicContact OE1-NH1 3.9Å; E254-R337 IonicContact OE1-NH2 2.68Å; E254-R337 PolarHBondContact OE1-NH2 2.66Å; E254-R337 IonicContact OE2-CZ 3.17Å; E254-R337 VanDerWaalsContact OE2-CZ 3.31Å; E254-R337 IonicContact OE2-NH1 3.6Å; E254-R337 PolarHBondContact OE2-NH1 3.05Å; E254-R337 VanDerWaalsContact OE2-NH1 3.15Å; E254-R337 IonicContact OE2-NH2 3.84Å; E254-R337 PolarHBondContact OE2-NH2 2.68Å |
| 255 | D | 88.4 | Confident | 89.6 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 140 | -177.4 | -71.3 | -27 | 0 | 0 | 0 | 111.1 | T246 I247 R249 V257 | T246-D255 CarbonylContact C-O 3.56Å; T246-D255 VanDerWaalsContact CA-O 3.32Å; T246-D255 WeakPolarHBondContact CA-O 3.41Å; I247-D255 HydrophobicContact CG1-CB 4.21Å; I247-D255 PolarHBondContact N-O 2.95Å; I247-D255 PolarHBondContact O-N 2.89Å; R249-D255 WeakPolarHBondContact CG-OD2 3.4Å; R249-D255 IonicContact CZ-OD2 2.66Å; R249-D255 IonicContact NE-OD2 3.43Å; R249-D255 PolarHBondContact NE-OD2 2.98Å; R249-D255 IonicContact NH2-OD2 2.6Å; D255-V257 HydrophobicContact CB-CG2 3.97Å |
| 256 | C | 90.2 | Very high | 89.6 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 62% | 0.622 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.5 | 170.4 | -163 | 0 | 0 | 0 | 0 | 109.5 | V245 | V245-C256 WeakPolarHBondContact O-CA 3.38Å |
| 257 | V | 91.4 | Very high | 89.6 | Confident | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.1 | -173.8 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | N244 V245 I247 D255 E261 | N244-V257 WeakPolarHBondContact CA-O 3.23Å; V245-V257 PolarHBondContact N-O 3.26Å; V245-V257 PolarHBondContact O-N 3.05Å; I247-V257 HydrophobicContact CD1-CB 4.3Å; I247-V257 HydrophobicContact CD1-CG2 3.69Å; I247-V257 HydrophobicContact CG1-CB 4.46Å; I247-V257 HydrophobicContact CG1-CG2 3.84Å; D255-V257 HydrophobicContact CB-CG2 3.97Å; V257-E261 HydrophobicContact CG1-CB 3.74Å; V257-E261 HydrophobicContact CG1-CG 3.83Å; V257-E261 WeakPolarHBondContact CG1-OE2 3.48Å |
| 258 | S | 93.4 | Very high | 89.7 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 140 | 172.2 | 174 | 0 | 0 | 0 | 0 | 110.6 | E260 E261 | S258-E260 PolarHBondContact O-N 3.42Å; S258-E260 PolarHBondContact OG-N 2.91Å; S258-E261 PolarHBondContact O-N 3.46Å |
| 259 | S | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -60.3 | -20.1 | 178.5 | 63.6 | 0 | 0 | 0 | 0 | 114 | N169 I242 T243 E261 L262 | N169-S259 VanDerWaalsContact CB-O 3.29Å; N169-S259 WeakPolarHBondContact CB-O 3.49Å; N169-S259 PolarHBondContact ND2-O 3.34Å; I242-S259 WeakPolarHBondContact CA-OG 3.33Å; T243-S259 PolarHBondContact N-OG 3.03Å; T243-S259 WeakPolarHBondContact O-CA 3.31Å; T243-S259 WeakPolarHBondContact O-CB 2.93Å; T243-S259 PolarHBondContact O-N 3.22Å; T243-S259 PolarHBondContact O-OG 3.2Å; S259-E261 PolarHBondContact O-N 3.25Å; S259-L262 PolarHBondContact O-N 3.11Å |
| 260 | E | 92.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.5 | -23.6 | 176.8 | -64.6 | -173.3 | 154.8 | 0 | 0 | 112.6 | A168 N169 L170 R240 I242 S258 | A168-E260 WeakPolarHBondContact CA-O 3.34Å; N169-E260 PolarHBondContact N-O 2.9Å; L170-E260 HydrophobicContact CD1-CG 4.35Å; R240-E260 IonicContact NH2-OE1 3.68Å; R240-E260 PolarHBondContact NH2-OE1 2.96Å; I242-E260 HydrophobicContact CD1-CG 4.26Å; I242-E260 WeakPolarHBondContact CD1-OE1 3.48Å; I242-E260 HydrophobicContact CG1-CG 3.97Å; I242-E260 HydrophobicContact CG2-CG 4.15Å; S258-E260 PolarHBondContact O-N 3.42Å; S258-E260 PolarHBondContact OG-N 2.91Å |
| 261 | E | 91.3 | Very high | 90 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -91.3 | -5.4 | -175.2 | -40.6 | -149 | 123.2 | 0 | 0 | 113.4 | R163 V257 S258 S259 | R163-E261 IonicContact CZ-OE1 3.06Å; R163-E261 VanDerWaalsContact CZ-OE1 3.29Å; R163-E261 IonicContact NH1-OE1 3.9Å; R163-E261 PolarHBondContact NH1-OE1 3.07Å; R163-E261 IonicContact NH1-OE2 3.71Å; R163-E261 VanDerWaalsContact NH2-CD 3.33Å; R163-E261 VanDerWaalsContact NH2-CG 3.28Å; R163-E261 IonicContact NH2-OE1 3.92Å; R163-E261 PolarHBondContact NH2-OE1 2.96Å; V257-E261 HydrophobicContact CG1-CB 3.74Å; V257-E261 HydrophobicContact CG1-CG 3.83Å; V257-E261 WeakPolarHBondContact CG1-OE2 3.48Å; S258-E261 PolarHBondContact O-N 3.46Å; S259-E261 PolarHBondContact O-N 3.25Å |
| 262 | L | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -64.9 | 137 | -177.2 | -69 | 175.4 | 0 | 0 | 0 | 112 | N169 V245 I247 S259 D266 L268 P278 C279 V347 T350 | N169-L262 HydrophobicContact CB-CB 4.18Å; V245-L262 HydrophobicContact CG2-CD1 3.96Å; V245-L262 HydrophobicContact CG2-CD2 3.82Å; V245-L262 HydrophobicContact CG2-CG 4.09Å; I247-L262 HydrophobicContact CG2-CD2 3.78Å; S259-L262 PolarHBondContact O-N 3.11Å; L262-D266 HydrophobicContact CD2-CB 4.37Å; L262-L268 HydrophobicContact CD1-CD2 4.31Å; L262-L268 HydrophobicContact CD2-CD2 3.9Å; L262-P278 HydrophobicContact CD1-CG 3.78Å; L262-C279 HydrophobicContact CD1-CB 4.47Å; L262-V347 HydrophobicContact CD2-CG2 4.5Å; L262-T350 HydrophobicContact CB-CG2 4.46Å | ||
| 263 | V | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -126.5 | 153.7 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 111 | L154 Q159 R162 R163 G265 D266 V347 | L154-V263 HydrophobicContact CD1-CG2 3.99Å; Q159-V263 HydrophobicContact CG-CG2 3.77Å; R162-V263 HydrophobicContact CB-CB 3.94Å; R162-V263 HydrophobicContact CB-CG1 4.21Å; R162-V263 HydrophobicContact CB-CG2 3.92Å; R163-V263 HydrophobicContact CB-CG1 3.89Å; R163-V263 HydrophobicContact CG-CG1 4.39Å; V263-G265 PolarHBondContact O-N 2.97Å; V263-D266 WeakPolarHBondContact CG2-OD2 3.39Å; V263-D266 PolarHBondContact N-OD2 2.6Å; V263-D266 WeakPolarHBondContact O-CB 3.34Å; V263-D266 PolarHBondContact O-N 3.11Å; V263-D266 VanDerWaalsContact O-N 3.12Å; V263-V347 WeakPolarHBondContact O-CB 3.17Å | ||
| 264 | P | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 128.5 | 172 | -27.5 | 38.4 | 0 | 0 | 0 | 111.8 | N139 W142 R162 F166 V347 T350 | N139-P264 VanDerWaalsContact ND2-CB 3.34Å; N139-P264 WeakPolarHBondContact ND2-CB 3.23Å; W142-P264 HydrophobicContact CH2-CB 3.71Å; W142-P264 HydrophobicContact CZ3-CB 4.41Å; R162-P264 WeakPolarHBondContact CD-O 3.32Å; R162-P264 PolarHBondContact NH1-O 3.24Å; F166-P264 HydrophobicContact CD1-CG 3.64Å; F166-P264 HydrophobicContact CD2-CG 4.44Å; F166-P264 HydrophobicContact CE1-CB 4.31Å; F166-P264 HydrophobicContact CE1-CG 3.69Å; F166-P264 HydrophobicContact CE2-CG 4.48Å; F166-P264 HydrophobicContact CG-CG 4.06Å; F166-P264 HydrophobicContact CZ-CB 4.34Å; F166-P264 HydrophobicContact CZ-CG 4.14Å; P264-V347 CarbonylContact C-O 3.09Å; P264-V347 WeakPolarHBondContact CA-O 3.39Å; P264-T350 HydrophobicContact CG-CG2 4.37Å |
| 265 | G | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105 | -16.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V263 C267 V347 | V263-G265 PolarHBondContact O-N 2.97Å; G265-C267 PolarHBondContact O-N 3.26Å; G265-V347 PolarHBondContact N-O 3.03Å |
| 266 | D | 92.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -61.8 | 137.3 | 174.9 | -81.5 | -28.4 | 0 | 0 | 0 | 111.1 | Q159 L262 V263 V346 V347 | Q159-D266 PolarHBondContact NE2-OD1 2.76Å; Q159-D266 PolarHBondContact NE2-OD2 2.79Å; L262-D266 HydrophobicContact CD2-CB 4.37Å; V263-D266 WeakPolarHBondContact CG2-OD2 3.39Å; V263-D266 PolarHBondContact N-OD2 2.6Å; V263-D266 WeakPolarHBondContact O-CB 3.34Å; V263-D266 PolarHBondContact O-N 3.11Å; V263-D266 VanDerWaalsContact O-N 3.12Å; D266-V346 WeakPolarHBondContact O-CA 3.4Å; D266-V347 HydrophobicContact CB-CB 4.45Å; D266-V347 HydrophobicContact CB-CG2 3.95Å; D266-V347 WeakPolarHBondContact O-CG2 3.41Å; D266-V347 PolarHBondContact O-N 3.03Å | ||
| 267 | C | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 105.7 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | F150 Q151 I247 R248 G265 V344 A345 | F150-C267 WeakPolarHBondContact O-CB 3.38Å; Q151-C267 PolarHBondContact O-SG 2.98Å; I247-C267 CarbonylContact C-O 3.31Å; I247-C267 WeakPolarHBondContact CA-O 3.38Å; R248-C267 HydrophobicContact CB-CB 4.21Å; R248-C267 PolarHBondContact N-O 2.88Å; G265-C267 PolarHBondContact O-N 3.26Å; C267-V344 VanDerWaalsContact SG-CG1 3.56Å; C267-A345 CarbonylContact C-O 3.59Å |
| 268 | L | 92.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.8 | 177.9 | -70.9 | 168.3 | 0 | 0 | 0 | 111.9 | V245 I247 L262 C279 A281 A345 V347 | V245-L268 HydrophobicContact CB-CD2 3.91Å; V245-L268 HydrophobicContact CG1-CD2 4.42Å; V245-L268 HydrophobicContact CG2-CD2 3.89Å; I247-L268 HydrophobicContact CG2-CD2 3.91Å; L262-L268 HydrophobicContact CD1-CD2 4.31Å; L262-L268 HydrophobicContact CD2-CD2 3.9Å; L268-C279 VanDerWaalsContact CD1-SG 3.59Å; L268-A281 HydrophobicContact CD1-CB 4.09Å; L268-A345 WeakPolarHBondContact CA-O 3.29Å; L268-A345 PolarHBondContact N-O 3.14Å; L268-A345 PolarHBondContact O-N 2.87Å; L268-V347 HydrophobicContact CD1-CG2 3.5Å; L268-V347 VanDerWaalsContact CD1-CG2 3.5Å; L268-V347 HydrophobicContact CG-CG2 3.76Å |
| 269 | I | 91.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118 | 164.3 | -45.2 | -60.7 | 0 | 0 | 0 | 109.7 | T246 R248 R337 V344 | T246-I269 HydrophobicContact CG2-CB 4.4Å; T246-I269 HydrophobicContact CG2-CG1 4.39Å; T246-I269 PolarHBondContact O-N 2.81Å; R248-I269 HydrophobicContact CB-CD1 4.44Å; I269-R337 VanDerWaalsContact CG1-NH2 3.34Å; I269-R337 VanDerWaalsContact CG2-CZ 3.46Å; I269-V344 HydrophobicContact CD1-CG1 4.45Å; I269-V344 HydrophobicContact CD1-CG2 4.05Å |
| 270 | I | 90.9 | Very high | 90.4 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123 | 175.6 | -57.2 | 176 | 0 | 0 | 0 | 108.6 | L275 L277 I324 V330 A333 G342 A343 A345 | I270-L275 HydrophobicContact CG2-CD2 4.37Å; I270-L277 HydrophobicContact CD1-CD1 4.34Å; I270-I324 HydrophobicContact CD1-CD1 3.43Å; I270-I324 VanDerWaalsContact CD1-CD1 3.43Å; I270-V330 HydrophobicContact CG2-CB 4.35Å; I270-V330 HydrophobicContact CG2-CG1 3.85Å; I270-V330 HydrophobicContact CG2-CG2 4.11Å; I270-A333 HydrophobicContact CG2-CB 3.98Å; I270-G342 CarbonylContact O-C 3.55Å; I270-G342 WeakPolarHBondContact O-CA 3.34Å; I270-A343 HydrophobicContact CB-CB 4.27Å; I270-A343 PolarHBondContact N-O 3.28Å; I270-A343 PolarHBondContact O-N 2.91Å; I270-A345 HydrophobicContact CD1-CB 3.93Å |
| 271 | P | 89.3 | Confident | 90.4 | Very high | 58 Ų | 58 | 23.2 Ų | 23.2 | 38% | 0.377 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 169 | 177.3 | 31.6 | -35.6 | 0 | 0 | 0 | 111.1 | E273 L275 A333 | P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.88Å; P271-L275 HydrophobicContact CG-CB 3.76Å; P271-L275 HydrophobicContact CG-CD2 4.4Å; P271-A333 WeakPolarHBondContact O-CB 3.49Å |
| 272 | Q | 84.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 20.2 Ų | 20.2 | 45% | 0.453 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -62 | -35.5 | -175.8 | -169.8 | 174.6 | -14.5 | 0 | 0 | 113 | Q332 A333 | Q272-Q332 CarbonylContact O-C 3.54Å; Q272-Q332 VanDerWaalsContact O-CA 3.27Å; Q272-Q332 WeakPolarHBondContact O-CA 3.47Å; Q272-A333 PolarHBondContact O-N 3.45Å |
| 273 | E | 84.8 | Confident | 90.5 | Very high | 123 Ų | 123 | 20.1 Ų | 20.1 | 58% | 0.575 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -149 | 151.2 | -179.6 | -60.8 | -176.2 | 175 | 0 | 0 | 111.3 | P271 | P271-E273 VanDerWaalsContact C-N 3.31Å; P271-E273 PolarHBondContact O-N 2.88Å |
| 274 | G | 80.8 | Confident | 90.4 | Very high | 51 Ų | 51 | 20.4 Ų | 20.4 | 53% | 0.526 | 12% | 0.119 | S | C | . | . | trans | 85.3 | 21.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | V330 | G274-V330 PolarHBondContact N-O 3.32Å; G274-V330 VanDerWaalsContact N-O 3.16Å | ||
| 275 | L | 88.6 | Confident | 90.2 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.8 | 175.9 | -177.7 | 67.3 | 0 | 0 | 0 | 111.4 | I270 P271 L277 V330 | I270-L275 HydrophobicContact CG2-CD2 4.37Å; P271-L275 HydrophobicContact CG-CB 3.76Å; P271-L275 HydrophobicContact CG-CD2 4.4Å; L275-L277 HydrophobicContact CD2-CD1 3.99Å; L275-L277 HydrophobicContact CG-CD1 4.43Å; L275-V330 HydrophobicContact CB-CB 4.49Å; L275-V330 VanDerWaalsContact O-CB 3.31Å; L275-V330 WeakPolarHBondContact O-CB 3.25Å; L275-V330 WeakPolarHBondContact O-CG2 3.36Å; L275-V330 PolarHBondContact O-N 2.91Å |
| 276 | V | 89.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 22 Ų | 22 | 25% | 0.248 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124 | 162.5 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | F241 P278 T328 H329 | F241-V276 HydrophobicContact CE1-CB 4.09Å; F241-V276 HydrophobicContact CE1-CG1 3.87Å; F241-V276 HydrophobicContact CE2-CB 4.27Å; F241-V276 HydrophobicContact CE2-CG1 4.18Å; F241-V276 HydrophobicContact CZ-CB 3.6Å; F241-V276 HydrophobicContact CZ-CG1 3.7Å; V276-P278 WeakPolarHBondContact O-CD 3.33Å; V276-T328 WeakPolarHBondContact CA-O 3.49Å; V276-H329 HydrophobicContact CG2-CB 4.28Å |
| 277 | L | 92.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -72 | 127.7 | -175.4 | -121.5 | 77.1 | 0 | 0 | 0 | 111.3 | I270 L275 C279 A281 I324 F325 C326 G327 T328 V330 | I270-L277 HydrophobicContact CD1-CD1 4.34Å; L275-L277 HydrophobicContact CD2-CD1 3.99Å; L275-L277 HydrophobicContact CG-CD1 4.43Å; L277-C279 WeakPolarHBondContact CD2-O 3.14Å; L277-A281 HydrophobicContact CD2-CB 4.11Å; L277-I324 HydrophobicContact CD1-CG2 4.14Å; L277-I324 HydrophobicContact CD2-CB 3.53Å; L277-I324 HydrophobicContact CD2-CG2 3.45Å; L277-I324 VanDerWaalsContact CD2-CG2 3.45Å; L277-I324 WeakPolarHBondContact CD2-O 3.47Å; L277-I324 HydrophobicContact CG-CG2 4.23Å; L277-F325 WeakPolarHBondContact CB-O 3.42Å; L277-C326 CarbonylContact O-C 3.55Å; L277-C326 WeakPolarHBondContact O-CA 3.47Å; L277-G327 PolarHBondContact O-N 3.5Å; L277-T328 PolarHBondContact N-O 3.16Å; L277-V330 HydrophobicContact CD1-CG2 3.68Å |
| 278 | P | 91.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -88.9 | -3.8 | 179.7 | 34.4 | -36 | 0 | 0 | 0 | 114.4 | N169 F241 T243 V245 L262 V276 C326 | N169-P278 PolarHBondContact ND2-O 2.82Å; F241-P278 HydrophobicContact CD1-CB 4.19Å; F241-P278 HydrophobicContact CE1-CB 4.19Å; T243-P278 HydrophobicContact CG2-CB 4.17Å; T243-P278 HydrophobicContact CG2-CG 4.1Å; V245-P278 HydrophobicContact CG1-CG 3.76Å; L262-P278 HydrophobicContact CD1-CG 3.78Å; V276-P278 WeakPolarHBondContact O-CD 3.33Å; P278-C326 PolarHBondContact O-SG 3.17Å |
| 279 | C | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -148.8 | 173.8 | -177 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | L262 L268 L277 F325 C326 V347 S349 T350 | L262-C279 HydrophobicContact CD1-CB 4.47Å; L268-C279 VanDerWaalsContact CD1-SG 3.59Å; L277-C279 WeakPolarHBondContact CD2-O 3.14Å; C279-F325 CarbonylContact O-C 3.58Å; C279-C326 WeakPolarHBondContact O-CA 3.32Å; C279-C326 PolarHBondContact O-N 3Å; C279-C326 VanDerWaalsContact O-N 3.12Å; C279-V347 HydrophobicContact CB-CG1 4.13Å; C279-S349 WeakPolarHBondContact CB-O 3.18Å; C279-T350 HydrophobicContact CB-CG2 4.25Å |
| 280 | D | 93.2 | Very high | 88.9 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.2 | 170.3 | -66.9 | -7.8 | 0 | 0 | 0 | 108.8 | I324 F325 C326 T348 S349 T354 A355 | D280-I324 CarbonylContact C-O 3.59Å; D280-I324 WeakPolarHBondContact CA-O 3.46Å; D280-F325 VanDerWaalsContact OD1-CA 3.32Å; D280-F325 WeakPolarHBondContact OD1-CA 3.26Å; D280-C326 WeakPolarHBondContact OD1-CB 3.37Å; D280-C326 PolarHBondContact OD1-N 3.23Å; D280-T348 PolarHBondContact O-N 3.14Å; D280-T348 PolarHBondContact O-OG1 3.28Å; D280-S349 PolarHBondContact N-O 2.82Å; D280-S349 VanDerWaalsContact N-O 3.1Å; D280-S349 PolarHBondContact O-N 2.84Å; D280-T354 HydrophobicContact CB-CG2 4.46Å; D280-T354 VanDerWaalsContact OD2-CA 3.24Å; D280-T354 WeakPolarHBondContact OD2-CA 3.29Å; D280-A355 PolarHBondContact OD2-N 2.94Å |
| 281 | A | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 140.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L268 L277 T323 I324 A345 V346 | L268-A281 HydrophobicContact CD1-CB 4.09Å; L277-A281 HydrophobicContact CD2-CB 4.11Å; A281-T323 CarbonylContact O-C 3.51Å; A281-T323 WeakPolarHBondContact O-CA 3.35Å; A281-I324 PolarHBondContact N-O 3.03Å; A281-I324 PolarHBondContact O-N 2.79Å; A281-A345 HydrophobicContact CB-CB 4.02Å; A281-V346 CarbonylContact C-O 3.48Å; A281-V346 WeakPolarHBondContact CA-O 3.42Å; A281-V346 WeakPolarHBondContact CB-O 3.38Å |
| 282 | A | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L147 L284 Y314 H322 A345 V346 T348 | L147-A282 HydrophobicContact CD1-CB 4.06Å; A282-L284 PolarHBondContact O-N 3.28Å; A282-Y314 HydrophobicContact CB-CE2 3.94Å; A282-H322 CarbonylContact C-O 3.57Å; A282-H322 WeakPolarHBondContact CA-O 3.49Å; A282-A345 CarbonylContact O-C 3.58Å; A282-A345 WeakPolarHBondContact O-CA 3.47Å; A282-A345 WeakPolarHBondContact O-CB 3.44Å; A282-V346 PolarHBondContact N-O 2.97Å; A282-V346 PolarHBondContact O-N 3.47Å; A282-T348 HydrophobicContact CB-CG2 3.81Å |
| 283 | L | 92.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 119.3 | 179.4 | -175 | 62.9 | 0 | 0 | 0 | 109.9 | G286 C288 K304 P306 L307 H322 I324 A343 A345 | L283-G286 WeakPolarHBondContact CD2-O 3.37Å; L283-C288 HydrophobicContact CD2-CB 4.47Å; L283-K304 HydrophobicContact CD2-CB 3.93Å; L283-P306 CarbonylContact O-C 3.13Å; L283-P306 WeakPolarHBondContact O-CA 3.29Å; L283-L307 WeakPolarHBondContact O-CB 3.16Å; L283-L307 PolarHBondContact O-N 3.07Å; L283-H322 WeakPolarHBondContact CB-O 3.29Å; L283-H322 PolarHBondContact N-O 3.06Å; L283-I324 HydrophobicContact CB-CD1 4.42Å; L283-I324 HydrophobicContact CD1-CD1 4.26Å; L283-A343 HydrophobicContact CD1-CB 3.87Å; L283-A345 HydrophobicContact CD1-CB 4.46Å |
| 284 | L | 89.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -34.6 | -179.1 | -62.9 | -173.4 | 0 | 0 | 0 | 113 | L147 Y148 Q151 A282 P306 L307 V344 V346 | L147-L284 HydrophobicContact CB-CD2 4.31Å; Y148-L284 HydrophobicContact CD1-CD1 4.4Å; Y148-L284 HydrophobicContact CD1-CD2 4.38Å; Y148-L284 HydrophobicContact CD2-CD2 4.25Å; Y148-L284 HydrophobicContact CE1-CB 4.04Å; Y148-L284 HydrophobicContact CE1-CD2 4.24Å; Y148-L284 HydrophobicContact CE2-CD2 4.12Å; Y148-L284 HydrophobicContact CG-CD2 4.37Å; Y148-L284 PolarHBondContact OH-O 3.29Å; Y148-L284 VanDerWaalsContact OH-O 3.06Å; Q151-L284 HydrophobicContact CB-CD1 4.06Å; Q151-L284 HydrophobicContact CG-CD1 4.47Å; A282-L284 PolarHBondContact O-N 3.28Å; L284-P306 WeakPolarHBondContact O-CB 3.2Å; L284-L307 HydrophobicContact CD2-CB 4.4Å; L284-L307 HydrophobicContact CD2-CD2 4.35Å; L284-V344 PolarHBondContact N-O 3.14Å; L284-V346 HydrophobicContact CD1-CB 4.35Å; L284-V346 HydrophobicContact CD1-CG2 3.43Å; L284-V346 VanDerWaalsContact CD1-CG2 3.43Å; L284-V346 HydrophobicContact CG-CG2 4.15Å |
| 285 | A | 86.4 | Confident | 86 | Confident | 24 Ų | 24 | 16.9 Ų | 16.9 | 20% | 0.198 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A343 V344 | A285-A343 WeakPolarHBondContact O-CA 3.31Å; A285-A343 WeakPolarHBondContact O-CB 3.4Å; A285-V344 HydrophobicContact CB-CB 4.21Å; A285-V344 PolarHBondContact N-O 3.03Å; A285-V344 PolarHBondContact O-N 3.31Å |
| 286 | G | 84.7 | Confident | 84.9 | Confident | 12 Ų | 12 | 16.5 Ų | 16.5 | 12% | 0.124 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 87.6 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L283 P306 K334 | L283-G286 WeakPolarHBondContact CD2-O 3.37Å; G286-P306 WeakPolarHBondContact O-CD 3.16Å; G286-K334 CarbonylContact C-O 3.17Å; G286-K334 WeakPolarHBondContact CA-O 3.48Å |
| 287 | E | 85.2 | Confident | 83.3 | Confident | 86 Ų | 86 | 15.4 Ų | 15.4 | 40% | 0.402 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.3 | 177.7 | -64.1 | -179.6 | 166.4 | 0 | 0 | 109.3 | L303 K304 A333 K334 | E287-L303 HydrophobicContact CB-CD1 4.28Å; E287-K304 WeakPolarHBondContact CA-O 3.47Å; E287-A333 CarbonylContact O-C 3.27Å; E287-A333 VanDerWaalsContact O-CA 3.28Å; E287-A333 WeakPolarHBondContact O-CA 3.33Å; E287-K334 PolarHBondContact N-O 3.08Å; E287-K334 PolarHBondContact O-N 2.85Å |
| 288 | C | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.5 | 178.6 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | L283 V290 K304 I324 V330 Q332 A343 | L283-C288 HydrophobicContact CD2-CB 4.47Å; C288-V290 HydrophobicContact CB-CG2 3.82Å; C288-K304 HydrophobicContact CB-CB 4.3Å; C288-K304 PolarHBondContact N-O 3.17Å; C288-K304 VanDerWaalsContact N-O 3.11Å; C288-K304 WeakPolarHBondContact O-CB 3.31Å; C288-K304 PolarHBondContact O-N 3.04Å; C288-I324 HydrophobicContact CB-CD1 3.99Å; C288-V330 HydrophobicContact CB-CG1 4.44Å; C288-Q332 CarbonylContact C-O 3.25Å; C288-Q332 WeakPolarHBondContact CA-O 3.47Å; C288-A343 VanDerWaalsContact SG-CB 3.5Å |
| 289 | L | 86.8 | Confident | 80.5 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 116.7 | 167.1 | -174.6 | 68.7 | 0 | 0 | 0 | 108.7 | P301 I331 Q332 L521 | L289-P301 HydrophobicContact CD1-CB 3.98Å; L289-P301 HydrophobicContact CG-CB 4.1Å; L289-I331 HydrophobicContact CD2-CB 4.36Å; L289-I331 HydrophobicContact CD2-CD1 4.46Å; L289-I331 HydrophobicContact CD2-CG2 4.38Å; L289-I331 HydrophobicContact CG-CB 4.45Å; L289-I331 HydrophobicContact CG-CD1 4.49Å; L289-I331 PolarHBondContact O-N 3.16Å; L289-Q332 HydrophobicContact CB-CB 4.28Å; L289-Q332 PolarHBondContact N-O 3.03Å; L289-Q332 PolarHBondContact O-N 2.8Å; L289-L521 HydrophobicContact CD2-CD2 3.87Å |
| 290 | V | 88.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.6 | -167.8 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | C288 E292 P301 V302 K304 I324 T328 H329 V330 | C288-V290 HydrophobicContact CB-CG2 3.82Å; V290-E292 HydrophobicContact CG1-CG 4.18Å; V290-E292 PolarHBondContact O-N 2.74Å; V290-P301 CarbonylContact O-C 3.59Å; V290-P301 WeakPolarHBondContact O-CA 3.49Å; V290-V302 PolarHBondContact N-O 2.94Å; V290-V302 PolarHBondContact O-N 2.89Å; V290-K304 HydrophobicContact CB-CG 4.41Å; V290-K304 HydrophobicContact CG2-CG 3.89Å; V290-I324 HydrophobicContact CG1-CG2 4.04Å; V290-I324 HydrophobicContact CG2-CG2 3.97Å; V290-T328 VanDerWaalsContact CG1-CB 3.45Å; V290-T328 HydrophobicContact CG1-CG2 4.38Å; V290-T328 WeakPolarHBondContact CG1-OG1 3.36Å; V290-H329 WeakPolarHBondContact CA-O 3.49Å; V290-V330 HydrophobicContact CG2-CG2 4.32Å |
| 291 | N | 84.4 | Confident | 78.7 | Confident | 44 Ų | 44 | 26.4 Ų | 26.4 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 108.3 | 168.2 | -172.5 | -18.2 | 0 | 0 | 0 | 109.3 | S293 T328 H329 I331 | N291-S293 WeakPolarHBondContact OD1-CB 3.46Å; N291-S293 PolarHBondContact OD1-N 2.91Å; N291-S293 PolarHBondContact OD1-OG 3.39Å; N291-T328 WeakPolarHBondContact O-CB 3.35Å; N291-H329 HydrophobicContact CB-CB 4.36Å; N291-H329 PolarHBondContact N-O 3.06Å; N291-H329 PolarHBondContact O-N 3.36Å; N291-H329 VanDerWaalsContact O-N 3.1Å; N291-I331 HydrophobicContact CB-CD1 4.17Å; N291-I331 HydrophobicContact CB-CG1 4.31Å |
| 292 | E | 80.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | trans | -94.5 | 5.9 | 178.6 | -56.9 | -157.3 | 152.9 | 0 | 0 | 114.1 | V290 M294 L295 T296 K304 R320 F325 T328 | V290-E292 HydrophobicContact CG1-CG 4.18Å; V290-E292 PolarHBondContact O-N 2.74Å; E292-M294 PolarHBondContact O-N 3.23Å; E292-L295 PolarHBondContact O-N 3.16Å; E292-T296 HydrophobicContact CB-CG2 3.87Å; E292-T296 PolarHBondContact O-N 3.42Å; E292-T296 PolarHBondContact O-OG1 3.05Å; E292-K304 WeakPolarHBondContact OE1-CE 3.49Å; E292-K304 IonicContact OE1-NZ 2.73Å; E292-K304 PolarHBondContact OE1-NZ 3.16Å; E292-K304 IonicContact OE2-NZ 3.15Å; E292-R320 IonicContact OE2-CZ 3.97Å; E292-R320 IonicContact OE2-NE 2.62Å; E292-R320 IonicContact OE2-NH2 3.16Å; E292-R320 PolarHBondContact OE2-NH2 2.9Å; E292-F325 WeakPolarHBondContact OE1-CD2 3.41Å; E292-T328 HydrophobicContact CB-CG2 4.18Å; E292-T328 HydrophobicContact CG-CG2 3.97Å | ||
| 293 | S | 69.4 | Low | 77.6 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -49.5 | -32.3 | -175.7 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | N291 L295 G297 E298 | N291-S293 WeakPolarHBondContact OD1-CB 3.46Å; N291-S293 PolarHBondContact OD1-N 2.91Å; N291-S293 PolarHBondContact OD1-OG 3.39Å; S293-L295 VanDerWaalsContact C-N 3.28Å; S293-L295 PolarHBondContact O-N 2.98Å; S293-G297 WeakPolarHBondContact O-CA 3.39Å; S293-G297 PolarHBondContact O-N 3.02Å; S293-E298 WeakPolarHBondContact CA-O 3.41Å; S293-E298 WeakPolarHBondContact CB-O 3.37Å; S293-E298 PolarHBondContact N-O 3.4Å |
| 294 | M | 67.8 | Low | 77.4 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 17% | 0.172 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -39.4 | 175.5 | -170.4 | -173.5 | 165.2 | 0 | 0 | 112.8 | E292 G327 K356 E852 A853 | E292-M294 PolarHBondContact O-N 3.23Å; M294-G327 VanDerWaalsContact SD-CA 3.55Å; M294-G327 VanDerWaalsContact SD-O 3.32Å; M294-K356 HydrophobicContact CE-CD 3.52Å; M294-K356 HydrophobicContact CE-CG 3.99Å; M294-K356 HydrophobicContact SD-CD 4.33Å; M294-E852 WeakPolarHBondContact CE-OE2 3.46Å; M294-E852 HydrophobicContact CG-CB 3.86Å; M294-E852 HydrophobicContact CG-CG 4.23Å; M294-E852 VanDerWaalsContact CG-OE2 3.25Å; M294-E852 WeakPolarHBondContact CG-OE2 3.26Å; M294-A853 PolarHBondContact O-N 2.91Å; M294-A853 VanDerWaalsContact O-N 3.07Å |
| 295 | L | 68.1 | Low | 77.2 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -99.5 | -39.1 | -177.2 | -67.5 | 171.7 | 0 | 0 | 0 | 112.7 | E292 S293 F325 T328 A355 K356 A833 A853 | E292-L295 PolarHBondContact O-N 3.16Å; S293-L295 VanDerWaalsContact C-N 3.28Å; S293-L295 PolarHBondContact O-N 2.98Å; L295-F325 HydrophobicContact CD1-CB 3.12Å; L295-F325 HydrophobicContact CD1-CD2 4.37Å; L295-F325 HydrophobicContact CD1-CG 3.85Å; L295-T328 HydrophobicContact CD1-CG2 3.6Å; L295-T328 HydrophobicContact CG-CG2 4.34Å; L295-A355 HydrophobicContact CD2-CB 4.41Å; L295-K356 HydrophobicContact CD2-CB 4.09Å; L295-A833 WeakPolarHBondContact O-CB 3.45Å; L295-A853 WeakPolarHBondContact O-CB 3.18Å |
| 296 | T | 64.6 | Low | 77.2 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 8% | 0.08 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -91.9 | -19.5 | -175.2 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | E292 E298 A833 | E292-T296 HydrophobicContact CB-CG2 3.87Å; E292-T296 PolarHBondContact O-N 3.42Å; E292-T296 PolarHBondContact O-OG1 3.05Å; T296-E298 PolarHBondContact O-N 3.39Å; T296-E298 PolarHBondContact OG1-N 3.13Å; T296-A833 WeakPolarHBondContact O-CB 3.28Å; T296-A833 PolarHBondContact O-N 3.3Å |
| 297 | G | 57 | Low | 77.3 | Confident | 17 Ų | 17 | 32 Ų | 32 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | trans | 72.7 | -10 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S293 A851 | S293-G297 WeakPolarHBondContact O-CA 3.39Å; S293-G297 PolarHBondContact O-N 3.02Å; G297-A851 VanDerWaalsContact CA-CB 3.49Å | ||
| 298 | E | 66.1 | Low | 77.1 | Confident | 93 Ų | 93 | 30.9 Ų | 30.9 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | trans | -85.6 | 125.9 | -178.4 | -64.2 | 176.1 | 179.8 | 0 | 0 | 109.8 | S293 T296 V300 | S293-E298 WeakPolarHBondContact CA-O 3.41Å; S293-E298 WeakPolarHBondContact CB-O 3.37Å; S293-E298 PolarHBondContact N-O 3.4Å; T296-E298 PolarHBondContact O-N 3.39Å; T296-E298 PolarHBondContact OG1-N 3.13Å; E298-V300 VanDerWaalsContact C-N 3.3Å; E298-V300 PolarHBondContact O-N 3.37Å | ||
| 299 | S | 59.3 | Low | 76.6 | Confident | 90 Ų | 90 | 34.5 Ų | 34.5 | 63% | 0.629 | 22% | 0.216 | S | C | * | . | trans | -75.9 | -17.6 | -177.6 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | P301 | S299-P301 WeakPolarHBondContact O-CD 3.43Š| ||
| 300 | V | 70.9 | Confident | 76.2 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 26% | 0.255 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -75.1 | 122.2 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | E298 G522 P524 | E298-V300 VanDerWaalsContact C-N 3.3Å; E298-V300 PolarHBondContact O-N 3.37Å; V300-G522 WeakPolarHBondContact CG1-O 3.41Å; V300-P524 HydrophobicContact CG2-CG 4.11Å |
| 301 | P | 77.6 | Confident | 75.7 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | trans | -67.5 | 143.4 | 177.2 | -24.7 | 39.1 | 0 | 0 | 0 | 112.7 | L289 V290 S299 I331 L521 | L289-P301 HydrophobicContact CD1-CB 3.98Å; L289-P301 HydrophobicContact CG-CB 4.1Å; V290-P301 CarbonylContact O-C 3.59Å; V290-P301 WeakPolarHBondContact O-CA 3.49Å; S299-P301 WeakPolarHBondContact O-CD 3.43Å; P301-I331 HydrophobicContact CB-CD1 3.58Å; P301-I331 HydrophobicContact CG-CD1 3.42Å; P301-I331 VanDerWaalsContact CG-CD1 3.42Å; P301-L521 HydrophobicContact CB-CD2 3.96Å; P301-L521 HydrophobicContact CG-CD1 4.29Å; P301-L521 HydrophobicContact CG-CD2 3.76Å; P301-L521 HydrophobicContact CG-CG 4.4Å | ||
| 302 | V | 80.6 | Confident | 75.6 | Confident | 52 Ų | 52 | 48 Ų | 48 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.5 | -174.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | V290 | V290-V302 PolarHBondContact N-O 2.94Å; V290-V302 PolarHBondContact O-N 2.89Å |
| 303 | L | 83.3 | Confident | 75.7 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.2 | 173.3 | -175.6 | 68.7 | 0 | 0 | 0 | 111.2 | E287 | E287-L303 HydrophobicContact CB-CD1 4.28Å |
| 304 | K | 86.8 | Confident | 76.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 134.9 | 177.1 | -58.6 | -68.4 | -179.6 | 157.4 | 0 | 110.6 | L283 E287 C288 V290 E292 R320 R321 T323 I324 | L283-K304 HydrophobicContact CD2-CB 3.93Å; E287-K304 WeakPolarHBondContact CA-O 3.47Å; C288-K304 HydrophobicContact CB-CB 4.3Å; C288-K304 PolarHBondContact N-O 3.17Å; C288-K304 VanDerWaalsContact N-O 3.11Å; C288-K304 WeakPolarHBondContact O-CB 3.31Å; C288-K304 PolarHBondContact O-N 3.04Å; V290-K304 HydrophobicContact CB-CG 4.41Å; V290-K304 HydrophobicContact CG2-CG 3.89Å; E292-K304 WeakPolarHBondContact OE1-CE 3.49Å; E292-K304 IonicContact OE1-NZ 2.73Å; E292-K304 PolarHBondContact OE1-NZ 3.16Å; E292-K304 IonicContact OE2-NZ 3.15Å; K304-R320 PolarHBondContact NZ-O 3.37Å; K304-R321 WeakPolarHBondContact CD-O 3.38Å; K304-T323 WeakPolarHBondContact CE-O 3.29Å; K304-T323 PolarHBondContact NZ-O 2.92Å; K304-I324 HydrophobicContact CB-CG1 4.42Å; K304-I324 HydrophobicContact CG-CG1 4.24Å |
| 305 | T | 85.8 | Confident | 77.1 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | trans | -115.2 | 154.4 | -176.2 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | R321 H322 | T305-R321 PolarHBondContact N-O 3.27Å; T305-R321 WeakPolarHBondContact OG1-CD 3.48Å; T305-R321 PolarHBondContact OG1-NE 3.36Å; T305-H322 WeakPolarHBondContact O-CA 3.48Å; T305-H322 PolarHBondContact O-ND1 2.82Å; T305-H322 PolarHBondContact OG1-CE1 3.17Å; T305-H322 PolarHBondContact OG1-ND1 3.23Å | ||
| 306 | P | 87.6 | Confident | 77.5 | Confident | 50 Ų | 50 | 52.8 Ų | 52.8 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.5 | 179.8 | 27.2 | -34.1 | 0 | 0 | 0 | 111.6 | L283 L284 G286 H322 | L283-P306 CarbonylContact O-C 3.13Å; L283-P306 WeakPolarHBondContact O-CA 3.29Å; L284-P306 WeakPolarHBondContact O-CB 3.2Å; G286-P306 WeakPolarHBondContact O-CD 3.16Å; P306-H322 VanDerWaalsContact C-ND1 3.26Å; P306-H322 PolarHBondContact O-CE1 3.16Å; P306-H322 PolarHBondContact O-ND1 3.08Å |
| 307 | L | 86.1 | Confident | 77.9 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 133.1 | -179.3 | -171.7 | 72.4 | 0 | 0 | 0 | 110.4 | C144 L147 Y148 L283 L284 Y314 E319 H322 | C144-L307 HydrophobicContact CB-CD2 3.69Å; C144-L307 HydrophobicContact CB-CG 4.08Å; L147-L307 HydrophobicContact CB-CD2 4.42Å; L147-L307 HydrophobicContact CD1-CD2 3.8Å; Y148-L307 PolarHBondContact OH-O 2.82Å; L283-L307 WeakPolarHBondContact O-CB 3.16Å; L283-L307 PolarHBondContact O-N 3.07Å; L284-L307 HydrophobicContact CD2-CB 4.4Å; L284-L307 HydrophobicContact CD2-CD2 4.35Å; L307-Y314 HydrophobicContact CD1-CD2 4.15Å; L307-Y314 HydrophobicContact CD1-CE2 4.29Å; L307-Y314 HydrophobicContact CD2-CD2 4.26Å; L307-E319 HydrophobicContact CD1-CB 4.11Å; L307-E319 HydrophobicContact CD1-CG 4.13Å; L307-H322 HydrophobicContact CB-CB 4.05Å; L307-H322 HydrophobicContact CD1-CB 3.6Å; L307-H322 HydrophobicContact CG-CB 4.46Å |
| 308 | P | 82.1 | Confident | 78.7 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 42% | 0.416 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 139.5 | 172.8 | 26.6 | -32.5 | 0 | 0 | 0 | 110.9 | A310 | P308-A310 PolarHBondContact O-N 3.15Š|
| 309 | A | 76.8 | Confident | 79.5 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 62% | 0.62 | 35% | 0.35 | S | S | * | . | trans | -75.8 | 58.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y148 | Y148-A309 HydrophobicContact CD2-CB 4.09Å; Y148-A309 HydrophobicContact CE2-CB 3.86Å | ||
| 310 | A | 77 | Confident | 80.5 | Confident | 34 Ų | 34 | 61 Ų | 61 | 28% | 0.281 | 34% | 0.337 | S | S | . | . | trans | -94.6 | 152.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | C144 K145 P308 R312 | C144-A310 WeakPolarHBondContact CB-O 3.48Å; K145-A310 PolarHBondContact N-O 2.93Å; P308-A310 PolarHBondContact O-N 3.15Å; A310-R312 HydrophobicContact CB-CG 4.42Å; A310-R312 PolarHBondContact O-N 2.74Å | ||
| 311 | D | 77.6 | Confident | 81 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 67% | 0.674 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -87.2 | 48.3 | 178.3 | -147.7 | 13.5 | 0 | 0 | 0 | 111.9 | ||
| 312 | R | 81.9 | Confident | 81.5 | Confident | 180 Ų | 180 | 62.5 Ų | 62.5 | 68% | 0.679 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -111.5 | 150.1 | 179 | -64.6 | -178.1 | -178.6 | 171.4 | 2.2 | 109.5 | T143 C144 A310 Y314 | T143-R312 CarbonylContact C-O 3.52Å; T143-R312 VanDerWaalsContact CA-O 3.22Å; T143-R312 WeakPolarHBondContact CA-O 3.44Å; C144-R312 PolarHBondContact N-O 3.43Å; A310-R312 HydrophobicContact CB-CG 4.42Å; A310-R312 PolarHBondContact O-N 2.74Å; R312-Y314 PolarHBondContact O-N 3.44Å |
| 313 | T | 83.9 | Confident | 82 | Confident | 98 Ų | 98 | 60 Ų | 60 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | B | Isolated β-bridge | trans | -61.9 | 126.9 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 314 | Y | 84.3 | Confident | 82.5 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.09 | 31% | 0.313 | C | S | . | . | trans | -75.2 | 130.4 | 177.5 | 172 | -96.4 | 0 | 0 | 0 | 109.8 | W142 L147 A282 L307 R312 E319 T323 T348 | W142-Y314 WeakPolarHBondContact O-CB 3.36Å; W142-Y314 PolarHBondContact O-N 2.9Å; L147-Y314 HydrophobicContact CD1-CD1 3.96Å; L147-Y314 HydrophobicContact CD1-CD2 3.65Å; L147-Y314 HydrophobicContact CD1-CE1 4.44Å; L147-Y314 HydrophobicContact CD1-CE2 4.18Å; L147-Y314 HydrophobicContact CD1-CG 3.53Å; A282-Y314 HydrophobicContact CB-CE2 3.94Å; L307-Y314 HydrophobicContact CD1-CD2 4.15Å; L307-Y314 HydrophobicContact CD1-CE2 4.29Å; L307-Y314 HydrophobicContact CD2-CD2 4.26Å; R312-Y314 PolarHBondContact O-N 3.44Å; Y314-E319 HydrophobicContact CD2-CB 4.15Å; Y314-E319 HydrophobicContact CD2-CG 4.22Å; Y314-E319 HydrophobicContact CE2-CB 3.92Å; Y314-E319 HydrophobicContact CE2-CG 4.49Å; Y314-T323 VanDerWaalsContact OH-CG2 3.27Å; Y314-T323 WeakPolarHBondContact OH-CG2 3.47Å; Y314-T323 PolarHBondContact OH-OG1 3.48Å; Y314-T348 HydrophobicContact CD1-CG2 4.38Å; Y314-T348 HydrophobicContact CE1-CG2 3.53Å | ||
| 315 | S | 80.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | trans | -133.4 | 133.5 | 166.1 | 165.5 | 0 | 0 | 0 | 0 | 109 | E317 T318 E319 | S315-E317 PolarHBondContact O-N 3.08Å; S315-E317 PolarHBondContact OG-N 2.83Å; S315-T318 WeakPolarHBondContact CB-OG1 3.42Å; S315-T318 PolarHBondContact O-N 3.09Å; S315-T318 PolarHBondContact O-OG1 3.08Å; S315-E319 WeakPolarHBondContact O-CB 3.41Å; S315-E319 PolarHBondContact O-N 3.31Å | ||
| 316 | S | 78.3 | Confident | 82.9 | Confident | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.9 | 179.7 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | R320 | S316-R320 WeakPolarHBondContact O-CA 3.3Å; S316-R320 PolarHBondContact O-N 3.11Å |
| 317 | E | 71.7 | Confident | 82.8 | Confident | 148 Ų | 148 | 56 Ų | 56 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -46.3 | 176.9 | -66.4 | -174.1 | 167.8 | 0 | 0 | 112 | S315 | S315-E317 PolarHBondContact O-N 3.08Å; S315-E317 PolarHBondContact OG-N 2.83Å |
| 318 | T | 74.4 | Confident | 82.9 | Confident | 103 Ų | 103 | 56 Ų | 56 | 63% | 0.632 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -39.5 | 179.1 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | S315 R320 | S315-T318 WeakPolarHBondContact CB-OG1 3.42Å; S315-T318 PolarHBondContact O-N 3.09Å; S315-T318 PolarHBondContact O-OG1 3.08Å; T318-R320 VanDerWaalsContact C-N 3.35Å; T318-R320 PolarHBondContact O-N 2.95Å |
| 319 | E | 82.4 | Confident | 83.2 | Confident | 38 Ų | 38 | 56.6 Ų | 56.6 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 32.8 | -179.2 | -56.9 | -62.8 | 170.4 | 0 | 0 | 112.1 | L307 Y314 S315 R321 H322 T323 | L307-E319 HydrophobicContact CD1-CB 4.11Å; L307-E319 HydrophobicContact CD1-CG 4.13Å; Y314-E319 HydrophobicContact CD2-CB 4.15Å; Y314-E319 HydrophobicContact CD2-CG 4.22Å; Y314-E319 HydrophobicContact CE2-CB 3.92Å; Y314-E319 HydrophobicContact CE2-CG 4.49Å; S315-E319 WeakPolarHBondContact O-CB 3.41Å; S315-E319 PolarHBondContact O-N 3.31Å; E319-R321 PolarHBondContact O-N 3.08Å; E319-H322 PolarHBondContact O-N 3.46Å; E319-H322 IonicContact OE2-CD2 3.15Å; E319-H322 PolarHBondContact OE2-CD2 3.13Å; E319-H322 IonicContact OE2-NE2 2.8Å; E319-T323 PolarHBondContact O-N 3.46Å; E319-T323 PolarHBondContact O-OG1 3.03Å |
| 320 | R | 81.1 | Confident | 83.9 | Confident | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -32.9 | 178.9 | -175.5 | 177.3 | -176.7 | 83.6 | 11.9 | 113 | E292 K304 S316 T318 H322 T323 F325 | E292-R320 IonicContact OE2-CZ 3.97Å; E292-R320 IonicContact OE2-NE 2.62Å; E292-R320 IonicContact OE2-NH2 3.16Å; E292-R320 PolarHBondContact OE2-NH2 2.9Å; K304-R320 PolarHBondContact NZ-O 3.37Å; S316-R320 WeakPolarHBondContact O-CA 3.3Å; S316-R320 PolarHBondContact O-N 3.11Å; T318-R320 VanDerWaalsContact C-N 3.35Å; T318-R320 PolarHBondContact O-N 2.95Å; R320-H322 VanDerWaalsContact C-N 3.29Å; R320-H322 PolarHBondContact O-N 2.88Å; R320-T323 PolarHBondContact O-N 3.27Å; R320-T323 VanDerWaalsContact O-O 3.07Å; R320-F325 HydrophobicContact CB-CZ 4.44Å; R320-F325 HydrophobicContact CG-CE2 3.69Å; R320-F325 HydrophobicContact CG-CZ 3.8Å |
| 321 | R | 81 | Confident | 84.3 | Confident | 69 Ų | 69 | 53.1 Ų | 53.1 | 26% | 0.26 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.8 | 179.8 | -171.1 | -173.7 | -178.7 | 91.7 | 21 | 113.2 | K304 T305 E319 P585 F586 | K304-R321 WeakPolarHBondContact CD-O 3.38Å; T305-R321 PolarHBondContact N-O 3.27Å; T305-R321 WeakPolarHBondContact OG1-CD 3.48Å; T305-R321 PolarHBondContact OG1-NE 3.36Å; E319-R321 PolarHBondContact O-N 3.08Å; R321-P585 VanDerWaalsContact NH2-CB 3.31Å; R321-F586 PolarHBondContact NH1-O 2.9Å |
| 322 | H | 88.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.102 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -1.9 | -177.4 | -53.8 | -70.5 | 0 | 0 | 0 | 111.7 | A282 L283 T305 P306 L307 E319 R320 | A282-H322 CarbonylContact C-O 3.57Å; A282-H322 WeakPolarHBondContact CA-O 3.49Å; L283-H322 WeakPolarHBondContact CB-O 3.29Å; L283-H322 PolarHBondContact N-O 3.06Å; T305-H322 WeakPolarHBondContact O-CA 3.48Å; T305-H322 PolarHBondContact O-ND1 2.82Å; T305-H322 PolarHBondContact OG1-CE1 3.17Å; T305-H322 PolarHBondContact OG1-ND1 3.23Å; P306-H322 VanDerWaalsContact C-ND1 3.26Å; P306-H322 PolarHBondContact O-CE1 3.16Å; P306-H322 PolarHBondContact O-ND1 3.08Å; L307-H322 HydrophobicContact CB-CB 4.05Å; L307-H322 HydrophobicContact CD1-CB 3.6Å; L307-H322 HydrophobicContact CG-CB 4.46Å; E319-H322 PolarHBondContact O-N 3.46Å; E319-H322 IonicContact OE2-CD2 3.15Å; E319-H322 PolarHBondContact OE2-CD2 3.13Å; E319-H322 IonicContact OE2-NE2 2.8Å; R320-H322 VanDerWaalsContact C-N 3.29Å; R320-H322 PolarHBondContact O-N 2.88Å |
| 323 | T | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132 | -176.7 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | A281 K304 Y314 E319 R320 F325 | A281-T323 CarbonylContact O-C 3.51Å; A281-T323 WeakPolarHBondContact O-CA 3.35Å; K304-T323 WeakPolarHBondContact CE-O 3.29Å; K304-T323 PolarHBondContact NZ-O 2.92Å; Y314-T323 VanDerWaalsContact OH-CG2 3.27Å; Y314-T323 WeakPolarHBondContact OH-CG2 3.47Å; Y314-T323 PolarHBondContact OH-OG1 3.48Å; E319-T323 PolarHBondContact O-N 3.46Å; E319-T323 PolarHBondContact O-OG1 3.03Å; R320-T323 PolarHBondContact O-N 3.27Å; R320-T323 VanDerWaalsContact O-O 3.07Å; T323-F325 HydrophobicContact CG2-CD1 4.27Å; T323-F325 HydrophobicContact CG2-CE1 3.9Å; T323-F325 HydrophobicContact CG2-CZ 4.04Å |
| 324 | I | 92.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.9 | 173.6 | -45.2 | 173.3 | 0 | 0 | 0 | 106.8 | I270 L277 D280 A281 L283 C288 V290 K304 | I270-I324 HydrophobicContact CD1-CD1 3.43Å; I270-I324 VanDerWaalsContact CD1-CD1 3.43Å; L277-I324 HydrophobicContact CD1-CG2 4.14Å; L277-I324 HydrophobicContact CD2-CB 3.53Å; L277-I324 HydrophobicContact CD2-CG2 3.45Å; L277-I324 VanDerWaalsContact CD2-CG2 3.45Å; L277-I324 WeakPolarHBondContact CD2-O 3.47Å; L277-I324 HydrophobicContact CG-CG2 4.23Å; D280-I324 CarbonylContact C-O 3.59Å; D280-I324 WeakPolarHBondContact CA-O 3.46Å; A281-I324 PolarHBondContact N-O 3.03Å; A281-I324 PolarHBondContact O-N 2.79Å; L283-I324 HydrophobicContact CB-CD1 4.42Å; L283-I324 HydrophobicContact CD1-CD1 4.26Å; C288-I324 HydrophobicContact CB-CD1 3.99Å; V290-I324 HydrophobicContact CG1-CG2 4.04Å; V290-I324 HydrophobicContact CG2-CG2 3.97Å; K304-I324 HydrophobicContact CB-CG1 4.42Å; K304-I324 HydrophobicContact CG-CG1 4.24Å |
| 325 | F | 91 | Very high | 84.1 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -101.2 | 156.9 | -167.6 | -61.8 | -83.3 | 0 | 0 | 0 | 113.3 | L277 C279 D280 E292 L295 R320 T323 G327 T328 A355 | L277-F325 WeakPolarHBondContact CB-O 3.42Å; C279-F325 CarbonylContact O-C 3.58Å; D280-F325 VanDerWaalsContact OD1-CA 3.32Å; D280-F325 WeakPolarHBondContact OD1-CA 3.26Å; E292-F325 WeakPolarHBondContact OE1-CD2 3.41Å; L295-F325 HydrophobicContact CD1-CB 3.12Å; L295-F325 HydrophobicContact CD1-CD2 4.37Å; L295-F325 HydrophobicContact CD1-CG 3.85Å; R320-F325 HydrophobicContact CB-CZ 4.44Å; R320-F325 HydrophobicContact CG-CE2 3.69Å; R320-F325 HydrophobicContact CG-CZ 3.8Å; T323-F325 HydrophobicContact CG2-CD1 4.27Å; T323-F325 HydrophobicContact CG2-CE1 3.9Å; T323-F325 HydrophobicContact CG2-CZ 4.04Å; F325-G327 PolarHBondContact O-N 3.4Å; F325-T328 HydrophobicContact CB-CG2 3.91Å; F325-T328 WeakPolarHBondContact O-CB 3.36Å; F325-T328 WeakPolarHBondContact O-CG2 3.48Å; F325-T328 PolarHBondContact O-N 2.91Å; F325-T328 PolarHBondContact O-OG1 3.43Å; F325-A355 HydrophobicContact CD1-CB 3.84Å; F325-A355 HydrophobicContact CE1-CB 4.42Å | ||
| 326 | C | 89.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.3 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | L277 P278 C279 D280 T328 T354 K356 | L277-C326 CarbonylContact O-C 3.55Å; L277-C326 WeakPolarHBondContact O-CA 3.47Å; P278-C326 PolarHBondContact O-SG 3.17Å; C279-C326 WeakPolarHBondContact O-CA 3.32Å; C279-C326 PolarHBondContact O-N 3Å; C279-C326 VanDerWaalsContact O-N 3.12Å; D280-C326 WeakPolarHBondContact OD1-CB 3.37Å; D280-C326 PolarHBondContact OD1-N 3.23Å; C326-T328 VanDerWaalsContact C-N 3.33Å; C326-T354 HydrophobicContact CB-CG2 3.9Å; C326-K356 HydrophobicContact CB-CB 4.1Å |
| 327 | G | 86.1 | Confident | 83 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -6.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L277 M294 F325 | L277-G327 PolarHBondContact O-N 3.5Å; M294-G327 VanDerWaalsContact SD-CA 3.55Å; M294-G327 VanDerWaalsContact SD-O 3.32Å; F325-G327 PolarHBondContact O-N 3.4Å |
| 328 | T | 88.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -78.2 | 144.5 | 175.7 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | V276 L277 V290 N291 E292 L295 F325 C326 | V276-T328 WeakPolarHBondContact CA-O 3.49Å; L277-T328 PolarHBondContact N-O 3.16Å; V290-T328 VanDerWaalsContact CG1-CB 3.45Å; V290-T328 HydrophobicContact CG1-CG2 4.38Å; V290-T328 WeakPolarHBondContact CG1-OG1 3.36Å; N291-T328 WeakPolarHBondContact O-CB 3.35Å; E292-T328 HydrophobicContact CB-CG2 4.18Å; E292-T328 HydrophobicContact CG-CG2 3.97Å; L295-T328 HydrophobicContact CD1-CG2 3.6Å; L295-T328 HydrophobicContact CG-CG2 4.34Å; F325-T328 HydrophobicContact CB-CG2 3.91Å; F325-T328 WeakPolarHBondContact O-CB 3.36Å; F325-T328 WeakPolarHBondContact O-CG2 3.48Å; F325-T328 PolarHBondContact O-N 2.91Å; F325-T328 PolarHBondContact O-OG1 3.43Å; C326-T328 VanDerWaalsContact C-N 3.33Å | ||
| 329 | H | 88.9 | Confident | 81.3 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.7 | -179.1 | -177 | -76.3 | 0 | 0 | 0 | 110.2 | V276 V290 N291 I331 | V276-H329 HydrophobicContact CG2-CB 4.28Å; V290-H329 WeakPolarHBondContact CA-O 3.49Å; N291-H329 HydrophobicContact CB-CB 4.36Å; N291-H329 PolarHBondContact N-O 3.06Å; N291-H329 PolarHBondContact O-N 3.36Å; N291-H329 VanDerWaalsContact O-N 3.1Å; H329-I331 PolarHBondContact O-N 3.23Å |
| 330 | V | 90.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 108.1 | 172.1 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | I270 G274 L275 L277 C288 V290 A333 | I270-V330 HydrophobicContact CG2-CB 4.35Å; I270-V330 HydrophobicContact CG2-CG1 3.85Å; I270-V330 HydrophobicContact CG2-CG2 4.11Å; G274-V330 PolarHBondContact N-O 3.32Å; G274-V330 VanDerWaalsContact N-O 3.16Å; L275-V330 HydrophobicContact CB-CB 4.49Å; L275-V330 VanDerWaalsContact O-CB 3.31Å; L275-V330 WeakPolarHBondContact O-CB 3.25Å; L275-V330 WeakPolarHBondContact O-CG2 3.36Å; L275-V330 PolarHBondContact O-N 2.91Å; L277-V330 HydrophobicContact CD1-CG2 3.68Å; C288-V330 HydrophobicContact CB-CG1 4.44Å; V290-V330 HydrophobicContact CG2-CG2 4.32Å; V330-A333 HydrophobicContact CG1-CB 4.31Å |
| 331 | I | 86.9 | Confident | 79.4 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -49.7 | 176.3 | -55.8 | 179.9 | 0 | 0 | 0 | 108.8 | L289 N291 P301 H329 L516 | L289-I331 HydrophobicContact CD2-CB 4.36Å; L289-I331 HydrophobicContact CD2-CD1 4.46Å; L289-I331 HydrophobicContact CD2-CG2 4.38Å; L289-I331 HydrophobicContact CG-CB 4.45Å; L289-I331 HydrophobicContact CG-CD1 4.49Å; L289-I331 PolarHBondContact O-N 3.16Å; N291-I331 HydrophobicContact CB-CD1 4.17Å; N291-I331 HydrophobicContact CB-CG1 4.31Å; P301-I331 HydrophobicContact CB-CD1 3.58Å; P301-I331 HydrophobicContact CG-CD1 3.42Å; P301-I331 VanDerWaalsContact CG-CD1 3.42Å; H329-I331 PolarHBondContact O-N 3.23Å; I331-L516 HydrophobicContact CG2-CD1 3.92Å; I331-L516 HydrophobicContact CG2-CD2 4.01Å |
| 332 | Q | 85.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 42 Ų | 42 | 19% | 0.187 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142 | -175.9 | -165 | 174.7 | 45.7 | 0 | 0 | 111.6 | Q272 C288 L289 K334 | Q272-Q332 CarbonylContact O-C 3.54Å; Q272-Q332 VanDerWaalsContact O-CA 3.27Å; Q272-Q332 WeakPolarHBondContact O-CA 3.47Å; C288-Q332 CarbonylContact C-O 3.25Å; C288-Q332 WeakPolarHBondContact CA-O 3.47Å; L289-Q332 HydrophobicContact CB-CB 4.28Å; L289-Q332 PolarHBondContact N-O 3.03Å; L289-Q332 PolarHBondContact O-N 2.8Å; Q332-K334 HydrophobicContact CG-CG 4.4Å; Q332-K334 VanDerWaalsContact NE2-CE 3.27Å |
| 333 | A | 85.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I270 P271 Q272 E287 V330 A343 | I270-A333 HydrophobicContact CG2-CB 3.98Å; P271-A333 WeakPolarHBondContact O-CB 3.49Å; Q272-A333 PolarHBondContact O-N 3.45Å; E287-A333 CarbonylContact O-C 3.27Å; E287-A333 VanDerWaalsContact O-CA 3.28Å; E287-A333 WeakPolarHBondContact O-CA 3.33Å; V330-A333 HydrophobicContact CG1-CB 4.31Å; A333-A343 HydrophobicContact CB-CB 4.04Å |
| 334 | K | 80.6 | Confident | 79.4 | Confident | 88 Ų | 88 | 41 Ų | 41 | 38% | 0.383 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.2 | -176.1 | -63.9 | -177.7 | -175 | 171 | 0 | 111.9 | G286 E287 Q332 G336 E539 | G286-K334 CarbonylContact C-O 3.17Å; G286-K334 WeakPolarHBondContact CA-O 3.48Å; E287-K334 PolarHBondContact N-O 3.08Å; E287-K334 PolarHBondContact O-N 2.85Å; Q332-K334 HydrophobicContact CG-CG 4.4Å; Q332-K334 VanDerWaalsContact NE2-CE 3.27Å; K334-G336 PolarHBondContact O-N 3.1Å; K334-E539 IonicContact NZ-OE2 2.8Å |
| 335 | G | 70.8 | Confident | 79.4 | Confident | 54 Ų | 54 | 41 Ų | 41 | 56% | 0.557 | 25% | 0.246 | S | C | * | . | S | Bend | trans | 79.4 | 14 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | G340 | G335-G340 PolarHBondContact N-O 2.83Š|
| 336 | G | 68.3 | Low | 79.6 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -93.1 | -8.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | K334 G342 | K334-G336 PolarHBondContact O-N 3.1Å; G336-G342 VanDerWaalsContact CA-O 3.31Å; G336-G342 WeakPolarHBondContact CA-O 3.45Å; G336-G342 PolarHBondContact N-O 3.22Å |
| 337 | R | 66.9 | Low | 79.8 | Confident | 77 Ų | 77 | 40.4 Ų | 40.4 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -124.7 | 153.4 | -178.7 | -67.3 | -172.3 | 180 | -164 | -8.3 | 113 | E254 I269 G339 G340 R341 | E254-R337 IonicContact OE1-CZ 2.98Å; E254-R337 VanDerWaalsContact OE1-CZ 3.28Å; E254-R337 IonicContact OE1-NE 2.68Å; E254-R337 IonicContact OE1-NH1 3.9Å; E254-R337 IonicContact OE1-NH2 2.68Å; E254-R337 PolarHBondContact OE1-NH2 2.66Å; E254-R337 IonicContact OE2-CZ 3.17Å; E254-R337 VanDerWaalsContact OE2-CZ 3.31Å; E254-R337 IonicContact OE2-NH1 3.6Å; E254-R337 PolarHBondContact OE2-NH1 3.05Å; E254-R337 VanDerWaalsContact OE2-NH1 3.15Å; E254-R337 IonicContact OE2-NH2 3.84Å; E254-R337 PolarHBondContact OE2-NH2 2.68Å; I269-R337 VanDerWaalsContact CG1-NH2 3.34Å; I269-R337 VanDerWaalsContact CG2-CZ 3.46Å; R337-G339 PolarHBondContact O-N 2.78Å; R337-G339 VanDerWaalsContact O-N 3.12Å; R337-G340 PolarHBondContact O-N 3.03Å; R337-R341 WeakPolarHBondContact CB-O 3.11Å; R337-R341 WeakPolarHBondContact CD-O 3.5Å; R337-R341 VanDerWaalsContact CG-O 3.26Å; R337-R341 WeakPolarHBondContact CG-O 3.46Å |
| 338 | P | 53.7 | Low | 80 | Confident | 143 Ų | 143 | 40.3 Ų | 40.3 | 93% | 0.929 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 113.6 | 161.2 | -15.6 | 28.9 | 0 | 0 | 0 | 108.8 | ||
| 339 | G | 57.4 | Low | 80.1 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 76% | 0.763 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.2 | 2.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.4 | R337 R341 | R337-G339 PolarHBondContact O-N 2.78Å; R337-G339 VanDerWaalsContact O-N 3.12Å; G339-R341 PolarHBondContact O-N 3.33Å |
| 340 | G | 57 | Low | 80.3 | Confident | 44 Ų | 44 | 38.1 Ų | 38.1 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 81.2 | -2.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | G335 R337 | G335-G340 PolarHBondContact N-O 2.83Å; R337-G340 PolarHBondContact O-N 3.03Å |
| 341 | R | 66.3 | Low | 80.3 | Confident | 187 Ų | 187 | 38.3 Ų | 38.3 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | B | Isolated β-bridge | trans | -96.7 | 125.2 | -173.5 | -57 | -175.3 | -163.9 | -176.7 | 3.2 | 112.7 | R337 G339 | R337-R341 WeakPolarHBondContact CB-O 3.11Å; R337-R341 WeakPolarHBondContact CD-O 3.5Å; R337-R341 VanDerWaalsContact CG-O 3.26Å; R337-R341 WeakPolarHBondContact CG-O 3.46Å; G339-R341 PolarHBondContact O-N 3.33Å |
| 342 | G | 80.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | 77.2 | -179.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | I270 G336 | I270-G342 CarbonylContact O-C 3.55Å; I270-G342 WeakPolarHBondContact O-CA 3.34Å; G336-G342 VanDerWaalsContact CA-O 3.31Å; G336-G342 WeakPolarHBondContact CA-O 3.45Å; G336-G342 PolarHBondContact N-O 3.22Å | ||
| 343 | A | 89.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 161.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | I270 L283 A285 C288 A333 | I270-A343 HydrophobicContact CB-CB 4.27Å; I270-A343 PolarHBondContact N-O 3.28Å; I270-A343 PolarHBondContact O-N 2.91Å; L283-A343 HydrophobicContact CD1-CB 3.87Å; A285-A343 WeakPolarHBondContact O-CA 3.31Å; A285-A343 WeakPolarHBondContact O-CB 3.4Å; C288-A343 VanDerWaalsContact SG-CB 3.5Å; A333-A343 HydrophobicContact CB-CB 4.04Å |
| 344 | V | 90.9 | Very high | 80.5 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.2 | -177.9 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | C267 I269 L284 A285 | C267-V344 VanDerWaalsContact SG-CG1 3.56Å; I269-V344 HydrophobicContact CD1-CG1 4.45Å; I269-V344 HydrophobicContact CD1-CG2 4.05Å; L284-V344 PolarHBondContact N-O 3.14Å; A285-V344 HydrophobicContact CB-CB 4.21Å; A285-V344 PolarHBondContact N-O 3.03Å; A285-V344 PolarHBondContact O-N 3.31Å |
| 345 | A | 93.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C267 L268 I270 A281 A282 L283 | C267-A345 CarbonylContact C-O 3.59Å; L268-A345 WeakPolarHBondContact CA-O 3.29Å; L268-A345 PolarHBondContact N-O 3.14Å; L268-A345 PolarHBondContact O-N 2.87Å; I270-A345 HydrophobicContact CD1-CB 3.93Å; A281-A345 HydrophobicContact CB-CB 4.02Å; A282-A345 CarbonylContact O-C 3.58Å; A282-A345 WeakPolarHBondContact O-CA 3.47Å; A282-A345 WeakPolarHBondContact O-CB 3.44Å; L283-A345 HydrophobicContact CD1-CB 4.46Å |
| 346 | V | 93.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.4 | 177.1 | 169.8 | 0 | 0 | 0 | 0 | 110 | L147 F150 D266 A281 A282 L284 T348 | L147-V346 HydrophobicContact CD2-CG1 3.99Å; F150-V346 HydrophobicContact CB-CG1 3.95Å; F150-V346 HydrophobicContact CB-CG2 4.04Å; D266-V346 WeakPolarHBondContact O-CA 3.4Å; A281-V346 CarbonylContact C-O 3.48Å; A281-V346 WeakPolarHBondContact CA-O 3.42Å; A281-V346 WeakPolarHBondContact CB-O 3.38Å; A282-V346 PolarHBondContact N-O 2.97Å; A282-V346 PolarHBondContact O-N 3.47Å; L284-V346 HydrophobicContact CD1-CB 4.35Å; L284-V346 HydrophobicContact CD1-CG2 3.43Å; L284-V346 VanDerWaalsContact CD1-CG2 3.43Å; L284-V346 HydrophobicContact CG-CG2 4.15Å; V346-T348 PolarHBondContact O-N 2.64Å |
| 347 | V | 93.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 129.2 | 178.5 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | L262 V263 P264 G265 D266 L268 C279 T350 | L262-V347 HydrophobicContact CD2-CG2 4.5Å; V263-V347 WeakPolarHBondContact O-CB 3.17Å; P264-V347 CarbonylContact C-O 3.09Å; P264-V347 WeakPolarHBondContact CA-O 3.39Å; G265-V347 PolarHBondContact N-O 3.03Å; D266-V347 HydrophobicContact CB-CB 4.45Å; D266-V347 HydrophobicContact CB-CG2 3.95Å; D266-V347 WeakPolarHBondContact O-CG2 3.41Å; D266-V347 PolarHBondContact O-N 3.03Å; L268-V347 HydrophobicContact CD1-CG2 3.5Å; L268-V347 VanDerWaalsContact CD1-CG2 3.5Å; L268-V347 HydrophobicContact CG-CG2 3.76Å; C279-V347 HydrophobicContact CB-CG1 4.13Å; V347-T350 HydrophobicContact CG1-CG2 3.53Å |
| 348 | T | 91.5 | Very high | 82.4 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -36.6 | 180 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | N139 L147 D280 A282 Y314 V346 | N139-T348 PolarHBondContact ND2-O 3.14Å; L147-T348 HydrophobicContact CD2-CG2 4.44Å; D280-T348 PolarHBondContact O-N 3.14Å; D280-T348 PolarHBondContact O-OG1 3.28Å; A282-T348 HydrophobicContact CB-CG2 3.81Å; Y314-T348 HydrophobicContact CD1-CG2 4.38Å; Y314-T348 HydrophobicContact CE1-CG2 3.53Å; V346-T348 PolarHBondContact O-N 2.64Å |
| 349 | S | 90.8 | Very high | 83.3 | Confident | 26 Ų | 26 | 26.6 Ų | 26.6 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.5 | -180 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | C279 D280 T354 | C279-S349 WeakPolarHBondContact CB-O 3.18Å; D280-S349 PolarHBondContact N-O 2.82Å; D280-S349 VanDerWaalsContact N-O 3.1Å; D280-S349 PolarHBondContact O-N 2.84Å; S349-T354 WeakPolarHBondContact O-CG2 3.19Å |
| 350 | T | 92 | Very high | 84.4 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -133.5 | 156.5 | -176.1 | 57 | 0 | 0 | 0 | 0 | 111.7 | N169 L262 P264 C279 V347 F352 F353 | N169-T350 HydrophobicContact CB-CG2 4.13Å; N169-T350 WeakPolarHBondContact OD1-CA 3.22Å; N169-T350 WeakPolarHBondContact OD1-CB 3.31Å; L262-T350 HydrophobicContact CB-CG2 4.46Å; P264-T350 HydrophobicContact CG-CG2 4.37Å; C279-T350 HydrophobicContact CB-CG2 4.25Å; V347-T350 HydrophobicContact CG1-CG2 3.53Å; T350-F352 PolarHBondContact O-N 3.46Å; T350-F353 PolarHBondContact O-N 2.94Å | ||
| 351 | G | 89.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | 58.9 | -132.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N169 F353 T354 | N169-G351 PolarHBondContact OD1-N 2.69Å; G351-F353 PolarHBondContact O-N 3.27Å; G351-T354 PolarHBondContact O-N 3.17Å; G351-T354 PolarHBondContact O-OG1 2.96Å |
| 352 | F | 87.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 14.6 Ų | 14.6 | 9% | 0.092 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -65.9 | -17.6 | -179.8 | -81 | -80.9 | 0 | 0 | 0 | 114.3 | G120 L121 I171 T350 T354 G357 N358 V360 L364 | G120-F352 WeakPolarHBondContact O-CB 3.31Å; G120-F352 WeakPolarHBondContact O-CD2 3.36Å; G120-F352 WeakPolarHBondContact O-CG 3.24Å; L121-F352 HydrophobicContact CD2-CB 3.94Å; I171-F352 HydrophobicContact CG2-CD1 4.16Å; I171-F352 HydrophobicContact CG2-CE1 3.69Å; I171-F352 HydrophobicContact CG2-CE2 4.11Å; I171-F352 HydrophobicContact CG2-CZ 3.65Å; T350-F352 PolarHBondContact O-N 3.46Å; F352-T354 VanDerWaalsContact C-N 3.32Å; F352-G357 CarbonylContact O-C 3.59Å; F352-G357 VanDerWaalsContact O-C 3.25Å; F352-N358 PolarHBondContact O-N 2.99Å; F352-N358 VanDerWaalsContact O-N 3.12Å; F352-N358 PolarHBondContact O-OD1 3.03Å; F352-N358 VanDerWaalsContact O-OD1 3.1Å; F352-V360 HydrophobicContact CE1-CG1 4.48Å; F352-L364 HydrophobicContact CE1-CD1 4.14Å; F352-L364 HydrophobicContact CZ-CD1 4.28Å |
| 353 | F | 87.9 | Confident | 85.2 | Confident | 32 Ų | 32 | 16.3 Ų | 16.3 | 14% | 0.14 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -78.7 | -15.5 | 177.3 | -65.5 | -78.4 | 0 | 0 | 0 | 113.5 | L121 R122 P134 V135 T350 G351 | L121-F353 HydrophobicContact CB-CE1 4.45Å; L121-F353 HydrophobicContact CB-CZ 4.39Å; L121-F353 HydrophobicContact CD2-CD1 3.83Å; L121-F353 HydrophobicContact CD2-CE1 3.79Å; L121-F353 HydrophobicContact CD2-CG 4.3Å; L121-F353 HydrophobicContact CD2-CZ 4.22Å; R122-F353 HydrophobicContact CB-CE2 4.36Å; R122-F353 HydrophobicContact CB-CZ 4.45Å; R122-F353 WeakPolarHBondContact O-CZ 3.33Å; P134-F353 HydrophobicContact CB-CE1 4.27Å; V135-F353 HydrophobicContact CB-CE2 4.14Å; V135-F353 HydrophobicContact CB-CZ 3.91Å; T350-F353 PolarHBondContact O-N 2.94Å; G351-F353 PolarHBondContact O-N 3.27Å |
| 354 | T | 88.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -65.8 | 160.6 | 174.2 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | D280 C326 S349 G351 F352 K356 G357 N358 | D280-T354 HydrophobicContact CB-CG2 4.46Å; D280-T354 VanDerWaalsContact OD2-CA 3.24Å; D280-T354 WeakPolarHBondContact OD2-CA 3.29Å; C326-T354 HydrophobicContact CB-CG2 3.9Å; S349-T354 WeakPolarHBondContact O-CG2 3.19Å; G351-T354 PolarHBondContact O-N 3.17Å; G351-T354 PolarHBondContact O-OG1 2.96Å; F352-T354 VanDerWaalsContact C-N 3.32Å; T354-K356 VanDerWaalsContact C-N 3.27Å; T354-K356 PolarHBondContact O-N 2.69Å; T354-G357 WeakPolarHBondContact O-CA 3.45Å; T354-G357 PolarHBondContact O-N 3.41Å; T354-G357 PolarHBondContact OG1-N 2.83Å; T354-N358 PolarHBondContact O-N 2.78Å |
| 355 | A | 82.1 | Confident | 83.5 | Confident | 36 Ų | 36 | 22.6 Ų | 22.6 | 30% | 0.298 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -53.9 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D280 L295 F325 L359 | D280-A355 PolarHBondContact OD2-N 2.94Å; L295-A355 HydrophobicContact CD2-CB 4.41Å; F325-A355 HydrophobicContact CD1-CB 3.84Å; F325-A355 HydrophobicContact CE1-CB 4.42Å; A355-L359 PolarHBondContact O-N 3.11Å |
| 356 | K | 82.7 | Confident | 82.1 | Confident | 15 Ų | 15 | 26.4 Ų | 26.4 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 173.6 | -179.4 | 178.2 | 176.2 | 162.9 | 0 | 111.8 | I171 M294 L295 C326 T354 L359 V360 | I171-K356 HydrophobicContact CD1-CD 4.27Å; I171-K356 HydrophobicContact CD1-CG 4.09Å; M294-K356 HydrophobicContact CE-CD 3.52Å; M294-K356 HydrophobicContact CE-CG 3.99Å; M294-K356 HydrophobicContact SD-CD 4.33Å; L295-K356 HydrophobicContact CD2-CB 4.09Å; C326-K356 HydrophobicContact CB-CB 4.1Å; T354-K356 VanDerWaalsContact C-N 3.27Å; T354-K356 PolarHBondContact O-N 2.69Å; K356-L359 WeakPolarHBondContact O-CB 3.25Å; K356-L359 PolarHBondContact O-N 3.42Å; K356-V360 WeakPolarHBondContact O-CG2 3.43Å; K356-V360 PolarHBondContact O-N 2.71Å |
| 357 | G | 83.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F352 T354 L359 V360 S361 | F352-G357 CarbonylContact O-C 3.59Å; F352-G357 VanDerWaalsContact O-C 3.25Å; T354-G357 WeakPolarHBondContact O-CA 3.45Å; T354-G357 PolarHBondContact O-N 3.41Å; T354-G357 PolarHBondContact OG1-N 2.83Å; G357-L359 VanDerWaalsContact C-N 3.29Å; G357-L359 PolarHBondContact O-N 3.45Å; G357-V360 PolarHBondContact O-N 2.95Å; G357-S361 WeakPolarHBondContact O-CB 3.49Å; G357-S361 PolarHBondContact O-N 3.2Å |
| 358 | N | 77.9 | Confident | 79.4 | Confident | 72 Ų | 72 | 33.1 Ų | 33.1 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 176.5 | -77.8 | -32.8 | 0 | 0 | 0 | 112.1 | F352 T354 S362 | F352-N358 PolarHBondContact O-N 2.99Å; F352-N358 VanDerWaalsContact O-N 3.12Å; F352-N358 PolarHBondContact O-OD1 3.03Å; F352-N358 VanDerWaalsContact O-OD1 3.1Å; T354-N358 PolarHBondContact O-N 2.78Å; N358-S362 WeakPolarHBondContact O-CB 3.34Å; N358-S362 PolarHBondContact O-N 3.07Å; N358-S362 VanDerWaalsContact O-N 3.13Å; N358-S362 PolarHBondContact O-OG 3.2Å |
| 359 | L | 74.3 | Confident | 78.2 | Confident | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 174.7 | -174.5 | 141.5 | 0 | 0 | 0 | 111.5 | A355 K356 G357 S362 I363 A856 | A355-L359 PolarHBondContact O-N 3.11Å; K356-L359 WeakPolarHBondContact O-CB 3.25Å; K356-L359 PolarHBondContact O-N 3.42Å; G357-L359 VanDerWaalsContact C-N 3.29Å; G357-L359 PolarHBondContact O-N 3.45Å; L359-S362 WeakPolarHBondContact O-CB 3.4Å; L359-S362 PolarHBondContact O-N 3.38Å; L359-I363 HydrophobicContact CD2-CD1 3.64Å; L359-I363 HydrophobicContact CG-CD1 4.5Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.24Å; L359-A856 HydrophobicContact CD1-CB 4.21Å; L359-A856 HydrophobicContact CG-CB 4.2Å |
| 360 | V | 78.9 | Confident | 77.1 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | I171 V173 A239 F352 K356 G357 S362 I363 L364 | I171-V360 HydrophobicContact CG2-CB 4.08Å; I171-V360 HydrophobicContact CG2-CG1 3.77Å; I171-V360 HydrophobicContact CG2-CG2 4.48Å; V173-V360 HydrophobicContact CG2-CG1 4.47Å; A239-V360 HydrophobicContact CB-CG1 3.89Å; A239-V360 HydrophobicContact CB-CG2 4.26Å; F352-V360 HydrophobicContact CE1-CG1 4.48Å; K356-V360 WeakPolarHBondContact O-CG2 3.43Å; K356-V360 PolarHBondContact O-N 2.71Å; G357-V360 PolarHBondContact O-N 2.95Å; V360-S362 VanDerWaalsContact C-N 3.27Å; V360-S362 PolarHBondContact O-N 2.87Å; V360-I363 PolarHBondContact O-N 3.47Å; V360-I363 VanDerWaalsContact O-N 3.1Å; V360-L364 HydrophobicContact CG1-CD1 3.95Å; V360-L364 HydrophobicContact CG1-CG 4.36Å; V360-L364 WeakPolarHBondContact O-CG 3.47Å; V360-L364 PolarHBondContact O-N 3.21Å |
| 361 | S | 79.1 | Confident | 76.4 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.1 | -45.7 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | E119 G357 I363 L364 Y365 | E119-S361 WeakPolarHBondContact O-CB 3.41Å; E119-S361 PolarHBondContact O-OG 2.81Å; G357-S361 WeakPolarHBondContact O-CB 3.49Å; G357-S361 PolarHBondContact O-N 3.2Å; S361-I363 VanDerWaalsContact C-N 3.27Å; S361-I363 PolarHBondContact O-N 2.68Å; S361-L364 PolarHBondContact O-N 2.8Å; S361-L364 VanDerWaalsContact O-N 3.13Å; S361-Y365 VanDerWaalsContact O-CD2 3.3Å; S361-Y365 WeakPolarHBondContact O-CD2 3.22Å; S361-Y365 PolarHBondContact O-N 3.39Å |
| 362 | S | 70 | Confident | 75.8 | Confident | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -28 | 179 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | N358 L359 V360 R840 | N358-S362 WeakPolarHBondContact O-CB 3.34Å; N358-S362 PolarHBondContact O-N 3.07Å; N358-S362 VanDerWaalsContact O-N 3.13Å; N358-S362 PolarHBondContact O-OG 3.2Å; L359-S362 WeakPolarHBondContact O-CB 3.4Å; L359-S362 PolarHBondContact O-N 3.38Å; V360-S362 VanDerWaalsContact C-N 3.27Å; V360-S362 PolarHBondContact O-N 2.87Å; S362-R840 PolarHBondContact OG-NH1 3.06Å |
| 363 | I | 72.3 | Confident | 75.5 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.5 | -39.7 | 174.5 | -67.8 | 164.2 | 0 | 0 | 0 | 110.5 | L235 L359 V360 S361 V855 | L235-I363 HydrophobicContact CD1-CG2 4.25Å; L235-I363 HydrophobicContact CD2-CG2 4.39Å; L359-I363 HydrophobicContact CD2-CD1 3.64Å; L359-I363 HydrophobicContact CG-CD1 4.5Å; L359-I363 WeakPolarHBondContact O-CG1 3.49Å; L359-I363 PolarHBondContact O-N 3.24Å; V360-I363 PolarHBondContact O-N 3.47Å; V360-I363 VanDerWaalsContact O-N 3.1Å; S361-I363 VanDerWaalsContact C-N 3.27Å; S361-I363 PolarHBondContact O-N 2.68Å; I363-V855 HydrophobicContact CD1-CB 4.43Å; I363-V855 HydrophobicContact CD1-CG1 4.01Å |
| 364 | L | 72.4 | Confident | 74.9 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -36.5 | 179.8 | -69.9 | 168.4 | 0 | 0 | 0 | 112.9 | V173 L235 F352 V360 S361 P366 | V173-L364 HydrophobicContact CB-CD2 4.45Å; V173-L364 HydrophobicContact CG1-CD1 4.47Å; V173-L364 HydrophobicContact CG1-CD2 3.52Å; V173-L364 HydrophobicContact CG2-CD1 4.03Å; V173-L364 HydrophobicContact CG2-CD2 4.2Å; L235-L364 HydrophobicContact CD2-CD2 3.3Å; L235-L364 HydrophobicContact CD2-CG 4.18Å; L235-L364 HydrophobicContact CG-CD2 4.32Å; F352-L364 HydrophobicContact CE1-CD1 4.14Å; F352-L364 HydrophobicContact CZ-CD1 4.28Å; V360-L364 HydrophobicContact CG1-CD1 3.95Å; V360-L364 HydrophobicContact CG1-CG 4.36Å; V360-L364 WeakPolarHBondContact O-CG 3.47Å; V360-L364 PolarHBondContact O-N 3.21Å; S361-L364 PolarHBondContact O-N 2.8Å; S361-L364 VanDerWaalsContact O-N 3.13Å; L364-P366 VanDerWaalsContact O-CD 3.23Å; L364-P366 WeakPolarHBondContact O-CD 3.39Å |
| 365 | Y | 72.1 | Confident | 74.5 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 37% | 0.373 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -120.4 | 67.7 | -175.2 | -52.3 | -71.9 | 0 | 0 | 0 | 110 | E119 S361 | E119-Y365 VanDerWaalsContact CA-CE2 3.42Å; E119-Y365 HydrophobicContact CB-CD2 3.65Å; E119-Y365 HydrophobicContact CB-CE2 4.1Å; E119-Y365 HydrophobicContact CB-CG 4.06Å; E119-Y365 HydrophobicContact CG-CD1 4.31Å; E119-Y365 HydrophobicContact CG-CD2 3.9Å; E119-Y365 HydrophobicContact CG-CG 3.76Å; E119-Y365 WeakPolarHBondContact O-CE2 3.37Å; S361-Y365 VanDerWaalsContact O-CD2 3.3Å; S361-Y365 WeakPolarHBondContact O-CD2 3.22Å; S361-Y365 PolarHBondContact O-N 3.39Å |
| 366 | P | 64.5 | Low | 74.6 | Confident | 80 Ų | 80 | 49 Ų | 49 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 147.9 | -176.9 | 30.2 | -35.7 | 0 | 0 | 0 | 111.4 | L364 | L364-P366 VanDerWaalsContact O-CD 3.23Å; L364-P366 WeakPolarHBondContact O-CD 3.39Å |
| 367 | Q | 65.2 | Low | 74.6 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -58 | 142.3 | 176.3 | -67.8 | -171.4 | -13.1 | 0 | 0 | 112.4 | F71 I369 | F71-Q367 HydrophobicContact CE2-CB 4.34Å; F71-Q367 HydrophobicContact CE2-CG 3.88Å; F71-Q367 HydrophobicContact CZ-CB 4.47Å; F71-Q367 VanDerWaalsContact CZ-CD 3.46Å; F71-Q367 HydrophobicContact CZ-CG 4.16Å; Q367-I369 PolarHBondContact O-N 3.27Å |
| 368 | P | 65.6 | Low | 74.4 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 128.6 | -173.4 | 25.8 | -34.2 | 0 | 0 | 0 | 112.4 | F71 Q73 N370 | F71-P368 HydrophobicContact CB-CG 4.06Å; F71-P368 HydrophobicContact CD2-CG 4.31Å; F71-P368 HydrophobicContact CG-CG 4.12Å; Q73-P368 VanDerWaalsContact NE2-CB 3.3Å; P368-N370 PolarHBondContact O-N 3.25Å |
| 369 | I | 66.4 | Low | 74.8 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | trans | -74.2 | 99.5 | 178.8 | -62.1 | 172.3 | 0 | 0 | 0 | 110.1 | Q367 F371 P451 R452 I455 | Q367-I369 PolarHBondContact O-N 3.27Å; I369-F371 HydrophobicContact CG2-CB 4.02Å; I369-F371 PolarHBondContact O-N 3.09Å; I369-P451 HydrophobicContact CD1-CB 4.18Å; I369-R452 HydrophobicContact CD1-CG 3.71Å; I369-I455 HydrophobicContact CG2-CD1 3.45Å; I369-I455 VanDerWaalsContact CG2-CD1 3.45Å; I369-I455 HydrophobicContact CG2-CG1 4.42Å | ||
| 370 | N | 67.6 | Low | 75.2 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | trans | -84.7 | 74.8 | 175.6 | -164.6 | -8.5 | 0 | 0 | 0 | 111.6 | P368 Q375 R825 | P368-N370 PolarHBondContact O-N 3.25Å; N370-Q375 PolarHBondContact OD1-NE2 3.46Å; N370-R825 PolarHBondContact O-NH2 2.63Å | ||
| 371 | F | 76.6 | Confident | 75.4 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | trans | -104.8 | 124 | 177.7 | -168 | -125.2 | 0 | 0 | 0 | 112.3 | I369 F373 Y374 N454 I455 K458 L880 | I369-F371 HydrophobicContact CG2-CB 4.02Å; I369-F371 PolarHBondContact O-N 3.09Å; F371-F373 HydrophobicContact CD1-CB 3.48Å; F371-F373 VanDerWaalsContact CD1-CB 3.48Å; F371-F373 HydrophobicContact CD1-CG 4.45Å; F371-F373 HydrophobicContact CE1-CB 3.26Å; F371-F373 HydrophobicContact CE1-CD1 4.47Å; F371-F373 HydrophobicContact CE1-CG 4.09Å; F371-F373 HydrophobicContact CG-CB 4.48Å; F371-F373 HydrophobicContact CZ-CB 4.12Å; F371-F373 PolarHBondContact O-N 3.23Å; F371-F373 VanDerWaalsContact O-N 3.16Å; F371-Y374 HydrophobicContact CB-CD2 4.21Å; F371-Y374 HydrophobicContact CD1-CD2 4.01Å; F371-Y374 HydrophobicContact CD1-CE2 4.06Å; F371-Y374 PolarHBondContact O-N 3.27Å; F371-N454 HydrophobicContact CE1-CB 4.3Å; F371-I455 HydrophobicContact CD2-CG1 4.37Å; F371-I455 HydrophobicContact CG-CG1 4.43Å; F371-K458 HydrophobicContact CE2-CG 4.09Å; F371-K458 HydrophobicContact CZ-CG 4.3Å; F371-L880 HydrophobicContact CE1-CD1 3.74Å; F371-L880 HydrophobicContact CZ-CD1 3.76Å; F371-L880 HydrophobicContact CZ-CD2 4.22Å | ||
| 372 | R | 77.6 | Confident | 75.7 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.7 | -29.6 | -173.4 | -71 | -173.2 | -179 | 179.9 | 1 | 114.3 | Q375 D376 | R372-Q375 PolarHBondContact O-N 2.87Å; R372-D376 VanDerWaalsContact O-CB 3.3Å; R372-D376 WeakPolarHBondContact O-CB 3.4Å; R372-D376 VanDerWaalsContact O-CG 3.23Å; R372-D376 PolarHBondContact O-N 2.92Å |
| 373 | F | 80.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | -179.7 | 173 | -98.4 | 0 | 0 | 0 | 112.1 | F371 Q375 D376 A377 I429 F884 A947 L949 | F371-F373 HydrophobicContact CD1-CB 3.48Å; F371-F373 VanDerWaalsContact CD1-CB 3.48Å; F371-F373 HydrophobicContact CD1-CG 4.45Å; F371-F373 HydrophobicContact CE1-CB 3.26Å; F371-F373 HydrophobicContact CE1-CD1 4.47Å; F371-F373 HydrophobicContact CE1-CG 4.09Å; F371-F373 HydrophobicContact CG-CB 4.48Å; F371-F373 HydrophobicContact CZ-CB 4.12Å; F371-F373 PolarHBondContact O-N 3.23Å; F371-F373 VanDerWaalsContact O-N 3.16Å; F373-Q375 PolarHBondContact O-N 3.24Å; F373-D376 PolarHBondContact O-N 3.45Å; F373-A377 WeakPolarHBondContact O-CB 3.43Å; F373-A377 PolarHBondContact O-N 3.37Å; F373-I429 HydrophobicContact CE1-CG2 3.65Å; F373-I429 HydrophobicContact CZ-CG2 4.17Å; F373-F884 AromaticContact CD2-CD2 3.71Å; F373-F884 HydrophobicContact CD2-CD2 3.71Å; F373-F884 HydrophobicContact CD2-CE1 4.37Å; F373-F884 AromaticContact CD2-CE2 3.28Å; F373-F884 HydrophobicContact CD2-CE2 3.28Å; F373-F884 HydrophobicContact CD2-CG 4.43Å; F373-F884 AromaticContact CD2-CZ 3.64Å; F373-F884 HydrophobicContact CD2-CZ 3.64Å; F373-F884 AromaticContact CE2-CD2 3.63Å; F373-F884 HydrophobicContact CE2-CD2 3.63Å; F373-F884 AromaticContact CE2-CE2 3.73Å; F373-F884 HydrophobicContact CE2-CE2 3.73Å; F373-F884 HydrophobicContact CE2-CG 4.08Å; F373-F884 HydrophobicContact CE2-CZ 4.22Å; F373-F884 HydrophobicContact CG-CE2 4.27Å; F373-A947 PolarHBondContact N-O 3.33Å; F373-L949 HydrophobicContact CD2-CD1 3.75Å; F373-L949 HydrophobicContact CD2-CD2 4.17Å; F373-L949 HydrophobicContact CD2-CG 3.79Å; F373-L949 HydrophobicContact CE2-CD1 3.7Å; F373-L949 HydrophobicContact CE2-CD2 3.86Å; F373-L949 HydrophobicContact CE2-CG 3.91Å; F373-L949 HydrophobicContact CG-CD1 4.47Å; F373-L949 HydrophobicContact CZ-CD1 4.36Å |
| 374 | Y | 76.2 | Confident | 77.1 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -39 | -179.4 | -65.5 | -72.4 | 0 | 0 | 0 | 111.9 | F371 A377 M378 I429 | F371-Y374 HydrophobicContact CB-CD2 4.21Å; F371-Y374 HydrophobicContact CD1-CD2 4.01Å; F371-Y374 HydrophobicContact CD1-CE2 4.06Å; F371-Y374 PolarHBondContact O-N 3.27Å; Y374-A377 PolarHBondContact O-N 3.19Å; Y374-M378 PolarHBondContact O-N 3.5Å; Y374-I429 HydrophobicContact CE1-CG2 3.99Å |
| 375 | Q | 80.5 | Confident | 77.8 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -42 | 175 | -68.7 | 175.5 | -6.5 | 0 | 0 | 112.2 | N370 R372 F373 A377 M378 K379 | N370-Q375 PolarHBondContact OD1-NE2 3.46Å; R372-Q375 PolarHBondContact O-N 2.87Å; F373-Q375 PolarHBondContact O-N 3.24Å; Q375-A377 VanDerWaalsContact C-N 3.35Å; Q375-M378 PolarHBondContact O-N 3.35Å; Q375-K379 WeakPolarHBondContact O-CG 3.48Å; Q375-K379 PolarHBondContact O-N 2.96Å; Q375-K379 VanDerWaalsContact O-N 3.13Å |
| 376 | D | 83.8 | Confident | 78.6 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.1 | -30.4 | 178.7 | -71.3 | -12 | 0 | 0 | 0 | 111.7 | R372 F373 K379 F380 S948 L949 L950 | R372-D376 VanDerWaalsContact O-CB 3.3Å; R372-D376 WeakPolarHBondContact O-CB 3.4Å; R372-D376 VanDerWaalsContact O-CG 3.23Å; R372-D376 PolarHBondContact O-N 2.92Å; F373-D376 PolarHBondContact O-N 3.45Å; D376-K379 PolarHBondContact O-N 3.35Å; D376-K379 IonicContact OD1-NZ 3.63Å; D376-K379 PolarHBondContact OD1-NZ 3.09Å; D376-F380 WeakPolarHBondContact O-CB 3.41Å; D376-F380 PolarHBondContact O-N 3.5Å; D376-S948 VanDerWaalsContact OD2-CA 3.24Å; D376-S948 WeakPolarHBondContact OD2-CA 3.48Å; D376-S948 WeakPolarHBondContact OD2-CB 3.33Å; D376-S948 PolarHBondContact OD2-OG 3.44Å; D376-L949 HydrophobicContact CB-CB 4.02Å; D376-L950 HydrophobicContact CB-CD1 4.42Å; D376-L950 HydrophobicContact CB-CG 4.23Å |
| 377 | A | 81.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F373 Y374 Q375 F380 L381 F887 L949 | F373-A377 WeakPolarHBondContact O-CB 3.43Å; F373-A377 PolarHBondContact O-N 3.37Å; Y374-A377 PolarHBondContact O-N 3.19Å; Q375-A377 VanDerWaalsContact C-N 3.35Å; A377-F380 PolarHBondContact O-N 3.41Å; A377-L381 PolarHBondContact O-N 3.02Å; A377-F887 HydrophobicContact CB-CD2 4.49Å; A377-F887 HydrophobicContact CB-CE2 3.89Å; A377-L949 HydrophobicContact CB-CD1 3.85Å |
| 378 | M | 80.6 | Confident | 81 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.6 | -68.4 | -56.8 | -63.8 | 0 | 0 | 112.7 | Y374 Q375 F380 L381 L382 | Y374-M378 PolarHBondContact O-N 3.5Å; Q375-M378 PolarHBondContact O-N 3.35Å; M378-F380 VanDerWaalsContact C-N 3.31Å; M378-F380 PolarHBondContact O-N 2.84Å; M378-L381 HydrophobicContact CE-CD2 4.49Å; M378-L381 WeakPolarHBondContact O-CB 3.39Å; M378-L381 PolarHBondContact O-N 3.44Å; M378-L382 PolarHBondContact O-N 3.43Å |
| 379 | K | 85.3 | Confident | 82.2 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 174.1 | -67.2 | 171.4 | -158.9 | 154.4 | 0 | 112 | Q375 D376 L382 I383 L950 | Q375-K379 WeakPolarHBondContact O-CG 3.48Å; Q375-K379 PolarHBondContact O-N 2.96Å; Q375-K379 VanDerWaalsContact O-N 3.13Å; D376-K379 PolarHBondContact O-N 3.35Å; D376-K379 IonicContact OD1-NZ 3.63Å; D376-K379 PolarHBondContact OD1-NZ 3.09Å; K379-L382 WeakPolarHBondContact O-CB 3.41Å; K379-L382 PolarHBondContact O-N 2.87Å; K379-I383 WeakPolarHBondContact O-CG1 3.45Å; K379-I383 PolarHBondContact O-N 3.19Å; K379-I383 VanDerWaalsContact O-N 3.12Å; K379-L950 HydrophobicContact CB-CD1 3.9Å; K379-L950 HydrophobicContact CD-CD1 3.85Å |
| 380 | F | 83.3 | Confident | 83.5 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 176.3 | -179.6 | -90.5 | 0 | 0 | 0 | 111.6 | D376 A377 M378 L382 I383 L384 F887 A891 L950 L958 | D376-F380 WeakPolarHBondContact O-CB 3.41Å; D376-F380 PolarHBondContact O-N 3.5Å; A377-F380 PolarHBondContact O-N 3.41Å; M378-F380 VanDerWaalsContact C-N 3.31Å; M378-F380 PolarHBondContact O-N 2.84Å; F380-L382 PolarHBondContact O-N 3.2Å; F380-I383 WeakPolarHBondContact O-CA 3.39Å; F380-I383 WeakPolarHBondContact O-CB 3.31Å; F380-I383 PolarHBondContact O-N 2.86Å; F380-L384 HydrophobicContact CE1-CD2 4.31Å; F380-L384 PolarHBondContact O-N 3.06Å; F380-F887 HydrophobicContact CB-CE1 4.5Å; F380-F887 HydrophobicContact CB-CZ 3.76Å; F380-F887 AromaticContact CD1-CE1 3.85Å; F380-F887 HydrophobicContact CD1-CE1 3.85Å; F380-F887 HydrophobicContact CD1-CE2 4.15Å; F380-F887 AromaticContact CD1-CZ 3.24Å; F380-F887 HydrophobicContact CD1-CZ 3.24Å; F380-F887 HydrophobicContact CD2-CE1 4.36Å; F380-F887 HydrophobicContact CD2-CZ 4.33Å; F380-F887 HydrophobicContact CE1-CE1 4.12Å; F380-F887 AromaticContact CE1-CZ 3.88Å; F380-F887 HydrophobicContact CE1-CZ 3.88Å; F380-F887 AromaticContact CG-CE1 3.96Å; F380-F887 HydrophobicContact CG-CE1 3.96Å; F380-F887 AromaticContact CG-CZ 3.5Å; F380-F887 HydrophobicContact CG-CZ 3.5Å; F380-F887 VanDerWaalsContact CG-CZ 3.5Å; F380-A891 HydrophobicContact CE1-CB 3.63Å; F380-A891 HydrophobicContact CZ-CB 3.63Å; F380-L950 HydrophobicContact CB-CD2 4.5Å; F380-L950 HydrophobicContact CD2-CD2 4.49Å; F380-L958 HydrophobicContact CE2-CD2 3.51Å; F380-L958 HydrophobicContact CZ-CD2 3.55Å |
| 381 | L | 82.9 | Confident | 84.6 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 172.6 | -175.2 | 65.1 | 0 | 0 | 0 | 111.4 | F190 A377 M378 L384 A385 V421 | F190-L381 HydrophobicContact CE1-CD2 4.2Å; F190-L381 HydrophobicContact CZ-CD2 4.22Å; A377-L381 PolarHBondContact O-N 3.02Å; M378-L381 HydrophobicContact CE-CD2 4.49Å; M378-L381 WeakPolarHBondContact O-CB 3.39Å; M378-L381 PolarHBondContact O-N 3.44Å; L381-L384 PolarHBondContact O-N 3.19Å; L381-A385 WeakPolarHBondContact O-CB 3.48Å; L381-A385 PolarHBondContact O-N 3.17Å; L381-V421 HydrophobicContact CD1-CB 4.38Å; L381-V421 HydrophobicContact CD1-CG1 3.64Å; L381-V421 HydrophobicContact CD1-CG2 3.91Å |
| 382 | L | 85.5 | Confident | 85.3 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 63% | 0.628 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 172.5 | -176.2 | 70.9 | 0 | 0 | 0 | 112.5 | M378 K379 F380 L384 A385 V386 | M378-L382 PolarHBondContact O-N 3.43Å; K379-L382 WeakPolarHBondContact O-CB 3.41Å; K379-L382 PolarHBondContact O-N 2.87Å; F380-L382 PolarHBondContact O-N 3.2Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 3.34Å; L382-A385 WeakPolarHBondContact O-CB 3.36Å; L382-A385 PolarHBondContact O-N 3.39Å; L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.24Å |
| 383 | I | 86.2 | Confident | 86 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 29% | 0.292 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.1 | -64.9 | 169 | 0 | 0 | 0 | 110.3 | K379 F380 A385 V386 I387 L950 F955 | K379-I383 WeakPolarHBondContact O-CG1 3.45Å; K379-I383 PolarHBondContact O-N 3.19Å; K379-I383 VanDerWaalsContact O-N 3.12Å; F380-I383 WeakPolarHBondContact O-CA 3.39Å; F380-I383 WeakPolarHBondContact O-CB 3.31Å; F380-I383 PolarHBondContact O-N 2.86Å; I383-A385 VanDerWaalsContact C-N 3.33Å; I383-A385 PolarHBondContact O-N 2.66Å; I383-V386 WeakPolarHBondContact O-CB 3.34Å; I383-V386 PolarHBondContact O-N 3.15Å; I383-V386 VanDerWaalsContact O-N 3.15Å; I383-I387 HydrophobicContact CG2-CD1 4.26Å; I383-I387 WeakPolarHBondContact O-CG1 3.4Å; I383-I387 PolarHBondContact O-N 3.33Å; I383-L950 HydrophobicContact CD1-CD2 3.84Å; I383-F955 HydrophobicContact CD1-CE2 4.32Å |
| 384 | L | 85.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 178.3 | -168.9 | 53.9 | 0 | 0 | 0 | 111.7 | F380 L381 L382 V386 I387 A388 A420 L895 | F380-L384 HydrophobicContact CE1-CD2 4.31Å; F380-L384 PolarHBondContact O-N 3.06Å; L381-L384 PolarHBondContact O-N 3.19Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 3.34Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 PolarHBondContact O-N 2.9Å; L384-I387 PolarHBondContact O-N 3.01Å; L384-A388 WeakPolarHBondContact O-CB 3.44Å; L384-A388 PolarHBondContact O-N 2.98Å; L384-A420 WeakPolarHBondContact CD2-O 3.35Å; L384-A420 WeakPolarHBondContact CG-O 3.35Å; L384-L895 HydrophobicContact CD1-CD2 3.87Å; L384-L895 HydrophobicContact CD1-CG 4.43Å |
| 385 | A | 86.2 | Confident | 87.1 | Confident | 43 Ų | 43 | 56 Ų | 56 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L381 L382 I383 A388 F389 | L381-A385 WeakPolarHBondContact O-CB 3.48Å; L381-A385 PolarHBondContact O-N 3.17Å; L382-A385 WeakPolarHBondContact O-CB 3.36Å; L382-A385 PolarHBondContact O-N 3.39Å; I383-A385 VanDerWaalsContact C-N 3.33Å; I383-A385 PolarHBondContact O-N 2.66Å; A385-A388 PolarHBondContact O-N 3.02Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.3Å |
| 386 | V | 90.1 | Very high | 87.6 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L382 I383 L384 A388 F389 I390 | L382-V386 WeakPolarHBondContact O-CG2 3.49Å; L382-V386 PolarHBondContact O-N 3.24Å; I383-V386 WeakPolarHBondContact O-CB 3.34Å; I383-V386 PolarHBondContact O-N 3.15Å; I383-V386 VanDerWaalsContact O-N 3.15Å; L384-V386 VanDerWaalsContact C-N 3.33Å; L384-V386 PolarHBondContact O-N 2.9Å; V386-A388 VanDerWaalsContact C-N 3.34Å; V386-F389 PolarHBondContact O-N 3.14Å; V386-I390 HydrophobicContact CG1-CD1 4.17Å; V386-I390 WeakPolarHBondContact O-CG1 3.32Å; V386-I390 PolarHBondContact O-N 3.2Å |
| 387 | I | 89.3 | Confident | 87.9 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 32% | 0.323 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.3 | -65.5 | 169.2 | 0 | 0 | 0 | 110.3 | I383 L384 F389 I390 G391 F898 | I383-I387 HydrophobicContact CG2-CD1 4.26Å; I383-I387 WeakPolarHBondContact O-CG1 3.4Å; I383-I387 PolarHBondContact O-N 3.33Å; L384-I387 PolarHBondContact O-N 3.01Å; I387-F389 VanDerWaalsContact C-N 3.33Å; I387-F389 PolarHBondContact O-N 3.37Å; I387-I390 PolarHBondContact O-N 3.28Å; I387-G391 PolarHBondContact O-N 3.49Å; I387-F898 HydrophobicContact CG2-CE1 3.85Å; I387-F898 HydrophobicContact CG2-CZ 4Å |
| 388 | A | 89.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L384 A385 V386 I390 G391 T392 A420 | L384-A388 WeakPolarHBondContact O-CB 3.44Å; L384-A388 PolarHBondContact O-N 2.98Å; A385-A388 PolarHBondContact O-N 3.02Å; V386-A388 VanDerWaalsContact C-N 3.34Å; A388-I390 PolarHBondContact O-N 3.19Å; A388-G391 CarbonylContact O-C 3.47Å; A388-G391 WeakPolarHBondContact O-CA 3.35Å; A388-G391 PolarHBondContact O-N 3.37Å; A388-G391 VanDerWaalsContact O-N 3.14Å; A388-T392 WeakPolarHBondContact O-CB 3.34Å; A388-T392 PolarHBondContact O-N 3.44Å; A388-T392 PolarHBondContact O-OG1 2.87Å; A388-A420 HydrophobicContact CB-CB 3.44Å; A388-A420 VanDerWaalsContact CB-CB 3.44Å |
| 389 | F | 91.6 | Very high | 88.3 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 177.9 | -177 | -106.9 | 0 | 0 | 0 | 112.5 | A385 V386 I387 G391 T392 I393 | A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.3Å; V386-F389 PolarHBondContact O-N 3.14Å; I387-F389 VanDerWaalsContact C-N 3.33Å; I387-F389 PolarHBondContact O-N 3.37Å; F389-G391 VanDerWaalsContact C-N 3.34Å; F389-T392 PolarHBondContact O-N 3.24Å; F389-I393 HydrophobicContact CD1-CD1 3.85Å; F389-I393 HydrophobicContact CE1-CD1 3.41Å; F389-I393 VanDerWaalsContact CE1-CD1 3.41Å; F389-I393 HydrophobicContact CE1-CG1 4.39Å; F389-I393 HydrophobicContact CE2-CD1 4.46Å; F389-I393 HydrophobicContact CZ-CD1 3.76Å; F389-I393 HydrophobicContact CZ-CG1 4.4Å; F389-I393 WeakPolarHBondContact O-CG1 3.15Å; F389-I393 PolarHBondContact O-N 2.78Å |
| 390 | I | 92.7 | Very high | 88.4 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 54% | 0.544 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174 | -65.3 | 165 | 0 | 0 | 0 | 110.4 | V386 I387 A388 I393 Y394 | V386-I390 HydrophobicContact CG1-CD1 4.17Å; V386-I390 WeakPolarHBondContact O-CG1 3.32Å; V386-I390 PolarHBondContact O-N 3.2Å; I387-I390 PolarHBondContact O-N 3.28Å; A388-I390 PolarHBondContact O-N 3.19Å; I390-I393 PolarHBondContact O-N 3.01Å; I390-Y394 PolarHBondContact O-N 2.89Å |
| 391 | G | 90.9 | Very high | 88.5 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I387 A388 F389 I393 Y394 I395 | I387-G391 PolarHBondContact O-N 3.49Å; A388-G391 CarbonylContact O-C 3.47Å; A388-G391 WeakPolarHBondContact O-CA 3.35Å; A388-G391 PolarHBondContact O-N 3.37Å; A388-G391 VanDerWaalsContact O-N 3.14Å; F389-G391 VanDerWaalsContact C-N 3.34Å; G391-I393 PolarHBondContact O-N 2.97Å; G391-Y394 WeakPolarHBondContact O-CB 3.44Å; G391-Y394 PolarHBondContact O-N 2.87Å; G391-I395 WeakPolarHBondContact O-CG1 3.3Å; G391-I395 PolarHBondContact O-N 2.92Å |
| 392 | T | 91.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 64 Ų | 64 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.3 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | A388 F389 I395 F396 S413 V417 | A388-T392 WeakPolarHBondContact O-CB 3.34Å; A388-T392 PolarHBondContact O-N 3.44Å; A388-T392 PolarHBondContact O-OG1 2.87Å; F389-T392 PolarHBondContact O-N 3.24Å; T392-I395 PolarHBondContact O-N 3.02Å; T392-F396 WeakPolarHBondContact O-CB 3.19Å; T392-F396 PolarHBondContact O-N 2.76Å; T392-S413 WeakPolarHBondContact CG2-O 3.48Å; T392-S413 PolarHBondContact OG1-O 2.77Å; T392-V417 WeakPolarHBondContact OG1-CG2 3.49Å |
| 393 | I | 92.1 | Very high | 87.9 | Confident | 84 Ų | 84 | 65.4 Ų | 65.4 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.9 | -69.2 | 168.4 | 0 | 0 | 0 | 110.7 | F389 I390 G391 F396 V397 | F389-I393 HydrophobicContact CD1-CD1 3.85Å; F389-I393 HydrophobicContact CE1-CD1 3.41Å; F389-I393 VanDerWaalsContact CE1-CD1 3.41Å; F389-I393 HydrophobicContact CE1-CG1 4.39Å; F389-I393 HydrophobicContact CE2-CD1 4.46Å; F389-I393 HydrophobicContact CZ-CD1 3.76Å; F389-I393 HydrophobicContact CZ-CG1 4.4Å; F389-I393 WeakPolarHBondContact O-CG1 3.15Å; F389-I393 PolarHBondContact O-N 2.78Å; I390-I393 PolarHBondContact O-N 3.01Å; G391-I393 PolarHBondContact O-N 2.97Å; I393-F396 PolarHBondContact O-N 3.48Å; I393-V397 WeakPolarHBondContact O-CG2 3.15Å; I393-V397 PolarHBondContact O-N 3Å |
| 394 | Y | 92.1 | Very high | 87.6 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 179.5 | 172.3 | -100 | 0 | 0 | 0 | 111.9 | I390 G391 V397 I398 L902 T906 | I390-Y394 PolarHBondContact O-N 2.89Å; G391-Y394 WeakPolarHBondContact O-CB 3.44Å; G391-Y394 PolarHBondContact O-N 2.87Å; Y394-V397 PolarHBondContact O-N 3.46Å; Y394-I398 HydrophobicContact CD1-CD1 3.85Å; Y394-I398 HydrophobicContact CD2-CD1 4.24Å; Y394-I398 HydrophobicContact CE1-CD1 3.27Å; Y394-I398 HydrophobicContact CE2-CD1 3.72Å; Y394-I398 HydrophobicContact CG-CD1 4.3Å; Y394-I398 PolarHBondContact O-N 2.93Å; Y394-I398 VanDerWaalsContact O-N 3.13Å; Y394-I398 WeakPolarHBondContact OH-CD1 3.37Å; Y394-L902 HydrophobicContact CD1-CD2 4.1Å; Y394-T906 WeakPolarHBondContact OH-CG2 3.36Å; Y394-T906 PolarHBondContact OH-OG1 3.32Å |
| 395 | I | 89 | Confident | 87.6 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.3 | -68.8 | -56 | 0 | 0 | 0 | 111.5 | G391 T392 V397 I398 L399 V416 L902 N905 | G391-I395 WeakPolarHBondContact O-CG1 3.3Å; G391-I395 PolarHBondContact O-N 2.92Å; T392-I395 PolarHBondContact O-N 3.02Å; I395-V397 VanDerWaalsContact C-N 3.29Å; I395-V397 PolarHBondContact O-N 3.25Å; I395-I398 PolarHBondContact O-N 3.05Å; I395-I398 VanDerWaalsContact O-N 3.14Å; I395-L399 HydrophobicContact CG2-CD1 3.51Å; I395-L399 HydrophobicContact CG2-CG 3.86Å; I395-L399 WeakPolarHBondContact O-CB 3.38Å; I395-L399 VanDerWaalsContact O-CG 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.3Å; I395-L399 PolarHBondContact O-N 3.02Å; I395-V416 HydrophobicContact CB-CG2 4.35Å; I395-V416 HydrophobicContact CG1-CG2 4.03Å; I395-V416 HydrophobicContact CG2-CG2 4.4Å; I395-L902 HydrophobicContact CD1-CD2 3.6Å; I395-L902 HydrophobicContact CG1-CD2 3.33Å; I395-N905 HydrophobicContact CD1-CB 3.65Å |
| 396 | F | 90.3 | Very high | 87.6 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56 | -44.9 | 176 | -176.4 | -87.1 | 0 | 0 | 0 | 111.4 | T392 I393 I398 F400 L409 | T392-F396 WeakPolarHBondContact O-CB 3.19Å; T392-F396 PolarHBondContact O-N 2.76Å; I393-F396 PolarHBondContact O-N 3.48Å; F396-I398 PolarHBondContact O-N 3.11Å; F396-F400 WeakPolarHBondContact O-CB 2.87Å; F396-F400 PolarHBondContact O-N 2.76Å; F396-L409 HydrophobicContact CD2-CD1 3.84Å; F396-L409 HydrophobicContact CD2-CD2 4.26Å; F396-L409 HydrophobicContact CD2-CG 3.89Å; F396-L409 HydrophobicContact CE2-CD1 4.06Å; F396-L409 HydrophobicContact CE2-CD2 3.6Å; F396-L409 HydrophobicContact CE2-CG 3.67Å; F396-L409 HydrophobicContact CG-CD1 4.31Å; F396-L409 HydrophobicContact CZ-CD2 3.84Å; F396-L409 HydrophobicContact CZ-CG 4.37Å |
| 397 | V | 89.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 76.1 Ų | 76.1 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | I393 Y394 I395 R401 | I393-V397 WeakPolarHBondContact O-CG2 3.15Å; I393-V397 PolarHBondContact O-N 3Å; Y394-V397 PolarHBondContact O-N 3.46Å; I395-V397 VanDerWaalsContact C-N 3.29Å; I395-V397 PolarHBondContact O-N 3.25Å; V397-R401 WeakPolarHBondContact O-CG 3.45Å; V397-R401 PolarHBondContact O-N 2.86Å |
| 398 | I | 86.6 | Confident | 86.8 | Confident | 27 Ų | 27 | 77.7 Ų | 77.7 | 14% | 0.138 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 178.6 | -72.4 | 168.9 | 0 | 0 | 0 | 111.6 | Y394 I395 F396 F400 R401 T402 T906 | Y394-I398 HydrophobicContact CD1-CD1 3.85Å; Y394-I398 HydrophobicContact CD2-CD1 4.24Å; Y394-I398 HydrophobicContact CE1-CD1 3.27Å; Y394-I398 HydrophobicContact CE2-CD1 3.72Å; Y394-I398 HydrophobicContact CG-CD1 4.3Å; Y394-I398 PolarHBondContact O-N 2.93Å; Y394-I398 VanDerWaalsContact O-N 3.13Å; Y394-I398 WeakPolarHBondContact OH-CD1 3.37Å; I395-I398 PolarHBondContact O-N 3.05Å; I395-I398 VanDerWaalsContact O-N 3.14Å; F396-I398 PolarHBondContact O-N 3.11Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 3.45Å; I398-R401 PolarHBondContact O-N 3.11Å; I398-T402 WeakPolarHBondContact O-CB 3.45Å; I398-T402 PolarHBondContact O-N 3.01Å; I398-T402 VanDerWaalsContact O-N 3.07Å; I398-T402 PolarHBondContact O-OG1 3.07Å; I398-T906 HydrophobicContact CD1-CG2 4.33Å |
| 399 | L | 83.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 179 | -68 | 179.2 | 0 | 0 | 0 | 111.2 | I395 T402 N403 V404 L409 R412 F990 | I395-L399 HydrophobicContact CG2-CD1 3.51Å; I395-L399 HydrophobicContact CG2-CG 3.86Å; I395-L399 WeakPolarHBondContact O-CB 3.38Å; I395-L399 VanDerWaalsContact O-CG 3.27Å; I395-L399 WeakPolarHBondContact O-CG 3.3Å; I395-L399 PolarHBondContact O-N 3.02Å; L399-T402 PolarHBondContact O-N 3.34Å; L399-T402 VanDerWaalsContact O-N 3.1Å; L399-N403 PolarHBondContact O-N 3.32Å; L399-V404 HydrophobicContact CD2-CG2 4.32Å; L399-L409 HydrophobicContact CB-CD1 3.37Å; L399-L409 HydrophobicContact CD1-CD1 4.24Å; L399-L409 HydrophobicContact CG-CD1 4.45Å; L399-R412 HydrophobicContact CD1-CB 3.75Å; L399-F990 HydrophobicContact CD2-CD2 4.5Å; L399-F990 HydrophobicContact CD2-CE1 3.89Å; L399-F990 HydrophobicContact CD2-CE2 3.5Å; L399-F990 HydrophobicContact CD2-CZ 3.17Å |
| 400 | F | 86.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.5 | -177.4 | -99.1 | 0 | 0 | 0 | 111.7 | F396 I398 T402 N403 W406 L409 | F396-F400 WeakPolarHBondContact O-CB 2.87Å; F396-F400 PolarHBondContact O-N 2.76Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 3.45Å; F400-T402 PolarHBondContact O-N 2.78Å; F400-N403 PolarHBondContact O-N 2.62Å; F400-N403 VanDerWaalsContact O-N 3.16Å; F400-W406 HydrophobicContact CE2-CH2 4.03Å; F400-L409 HydrophobicContact CD2-CD2 4.4Å |
| 401 | R | 85.6 | Confident | 86.1 | Confident | 203 Ų | 203 | 71.6 Ų | 71.6 | 77% | 0.766 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.6 | -23.4 | 174.2 | -76.5 | -177.3 | 178.4 | -170.6 | 0.5 | 113.4 | V397 I398 N403 | V397-R401 WeakPolarHBondContact O-CG 3.45Å; V397-R401 PolarHBondContact O-N 2.86Å; I398-R401 PolarHBondContact O-N 3.11Å; R401-N403 VanDerWaalsContact C-N 3.33Å |
| 402 | T | 76 | Confident | 85.6 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 23% | 0.233 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 0.7 | -178.9 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | I398 L399 F400 V404 K908 F990 | I398-T402 WeakPolarHBondContact O-CB 3.45Å; I398-T402 PolarHBondContact O-N 3.01Å; I398-T402 VanDerWaalsContact O-N 3.07Å; I398-T402 PolarHBondContact O-OG1 3.07Å; L399-T402 PolarHBondContact O-N 3.34Å; L399-T402 VanDerWaalsContact O-N 3.1Å; F400-T402 PolarHBondContact O-N 2.78Å; T402-V404 VanDerWaalsContact C-N 3.33Å; T402-V404 HydrophobicContact CG2-CG2 4.15Å; T402-V404 PolarHBondContact O-N 3.16Å; T402-K908 HydrophobicContact CG2-CD 3.86Å; T402-K908 HydrophobicContact CG2-CG 4.29Å; T402-F990 HydrophobicContact CG2-CD2 4.42Å |
| 403 | N | 80.3 | Confident | 85.4 | Confident | 150 Ų | 150 | 72.6 Ų | 72.6 | 80% | 0.802 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40.2 | 179.9 | -72.3 | -34.7 | 0 | 0 | 0 | 114.2 | L399 F400 R401 | L399-N403 PolarHBondContact O-N 3.32Å; F400-N403 PolarHBondContact O-N 2.62Å; F400-N403 VanDerWaalsContact O-N 3.16Å; R401-N403 VanDerWaalsContact C-N 3.33Å |
| 404 | V | 79.5 | Confident | 85.1 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -74.5 | 155 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 110.5 | L399 T402 Q408 F990 | L399-V404 HydrophobicContact CD2-CG2 4.32Å; T402-V404 VanDerWaalsContact C-N 3.33Å; T402-V404 HydrophobicContact CG2-CG2 4.15Å; T402-V404 PolarHBondContact O-N 3.16Å; V404-Q408 HydrophobicContact CG1-CB 3.63Å; V404-F990 HydrophobicContact CG2-CD2 4.48Å; V404-F990 HydrophobicContact CG2-CG 4.49Å | ||
| 405 | T | 86.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | trans | -58.5 | 147.4 | 178.5 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | L407 Q408 L409 | T405-L407 VanDerWaalsContact C-N 3.26Å; T405-L407 PolarHBondContact O-N 2.84Å; T405-Q408 PolarHBondContact O-N 3.33Å; T405-Q408 WeakPolarHBondContact OG1-CB 3.4Å; T405-Q408 VanDerWaalsContact OG1-CG 3.29Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.4Å; T405-Q408 PolarHBondContact OG1-N 3.29Å; T405-Q408 PolarHBondContact OG1-OE1 3.01Å; T405-L409 WeakPolarHBondContact O-CB 3.17Å; T405-L409 PolarHBondContact O-N 3.04Å | ||
| 406 | W | 85.5 | Confident | 84.8 | Confident | 182 Ų | 182 | 67.4 Ų | 67.4 | 69% | 0.689 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -56.7 | -36.6 | -178.1 | -70.8 | 107.6 | 0 | 0 | 0 | 113.7 | F400 L409 I410 | F400-W406 HydrophobicContact CE2-CH2 4.03Å; W406-L409 HydrophobicContact CE3-CD2 3.86Å; W406-L409 HydrophobicContact CZ3-CD2 3.98Å; W406-I410 WeakPolarHBondContact O-CG1 3.42Å; W406-I410 PolarHBondContact O-N 2.88Å |
| 407 | L | 83.4 | Confident | 84.7 | Confident | 119 Ų | 119 | 65.4 Ų | 65.4 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.2 | -48.9 | 178.8 | -176.5 | 64.2 | 0 | 0 | 0 | 111.3 | T405 L409 I410 I411 | T405-L407 VanDerWaalsContact C-N 3.26Å; T405-L407 PolarHBondContact O-N 2.84Å; L407-L409 VanDerWaalsContact C-N 3.32Å; L407-L409 PolarHBondContact O-N 3.18Å; L407-I410 PolarHBondContact O-N 2.93Å; L407-I411 HydrophobicContact CD1-CD1 3.83Å; L407-I411 HydrophobicContact CD1-CG1 4.42Å; L407-I411 HydrophobicContact CD2-CD1 4.5Å; L407-I411 HydrophobicContact CG-CD1 3.74Å; L407-I411 VanDerWaalsContact O-CG1 3.3Å; L407-I411 WeakPolarHBondContact O-CG1 3.25Å; L407-I411 PolarHBondContact O-N 3.48Å |
| 408 | Q | 80.3 | Confident | 84.5 | Confident | 96 Ų | 96 | 62.5 Ų | 62.5 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 177 | -72.8 | 168.3 | -22.7 | 0 | 0 | 111.7 | V404 T405 I410 R412 | V404-Q408 HydrophobicContact CG1-CB 3.63Å; T405-Q408 PolarHBondContact O-N 3.33Å; T405-Q408 WeakPolarHBondContact OG1-CB 3.4Å; T405-Q408 VanDerWaalsContact OG1-CG 3.29Å; T405-Q408 WeakPolarHBondContact OG1-CG 3.4Å; T405-Q408 PolarHBondContact OG1-N 3.29Å; T405-Q408 PolarHBondContact OG1-OE1 3.01Å; Q408-I410 PolarHBondContact O-N 2.81Å; Q408-R412 WeakPolarHBondContact O-CB 3.4Å; Q408-R412 WeakPolarHBondContact O-CG 3.43Å; Q408-R412 PolarHBondContact O-N 2.76Å |
| 409 | L | 86.4 | Confident | 84.5 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -50.1 | 174.8 | 176.7 | 65.5 | 0 | 0 | 0 | 111.3 | F396 L399 F400 T405 W406 L407 S413 | F396-L409 HydrophobicContact CD2-CD1 3.84Å; F396-L409 HydrophobicContact CD2-CD2 4.26Å; F396-L409 HydrophobicContact CD2-CG 3.89Å; F396-L409 HydrophobicContact CE2-CD1 4.06Å; F396-L409 HydrophobicContact CE2-CD2 3.6Å; F396-L409 HydrophobicContact CE2-CG 3.67Å; F396-L409 HydrophobicContact CG-CD1 4.31Å; F396-L409 HydrophobicContact CZ-CD2 3.84Å; F396-L409 HydrophobicContact CZ-CG 4.37Å; L399-L409 HydrophobicContact CB-CD1 3.37Å; L399-L409 HydrophobicContact CD1-CD1 4.24Å; L399-L409 HydrophobicContact CG-CD1 4.45Å; F400-L409 HydrophobicContact CD2-CD2 4.4Å; T405-L409 WeakPolarHBondContact O-CB 3.17Å; T405-L409 PolarHBondContact O-N 3.04Å; W406-L409 HydrophobicContact CE3-CD2 3.86Å; W406-L409 HydrophobicContact CZ3-CD2 3.98Å; L407-L409 VanDerWaalsContact C-N 3.32Å; L407-L409 PolarHBondContact O-N 3.18Å; L409-S413 WeakPolarHBondContact O-CB 3.36Å; L409-S413 PolarHBondContact O-N 2.56Å; L409-S413 VanDerWaalsContact O-N 3.15Å; L409-S413 PolarHBondContact O-OG 3.4Å; L409-S413 VanDerWaalsContact O-OG 3.06Å |
| 410 | I | 87.1 | Confident | 84.6 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 46% | 0.456 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -51.9 | -179.6 | -67.5 | 169.5 | 0 | 0 | 0 | 110.4 | W406 L407 Q408 R412 S413 L414 | W406-I410 WeakPolarHBondContact O-CG1 3.42Å; W406-I410 PolarHBondContact O-N 2.88Å; L407-I410 PolarHBondContact O-N 2.93Å; Q408-I410 PolarHBondContact O-N 2.81Å; I410-R412 PolarHBondContact O-N 2.76Å; I410-S413 PolarHBondContact O-N 3.33Å; I410-S413 PolarHBondContact O-OG 3.03Å; I410-L414 HydrophobicContact CG2-CD1 3.77Å; I410-L414 HydrophobicContact CG2-CG 4.44Å; I410-L414 WeakPolarHBondContact O-CG 3.34Å; I410-L414 PolarHBondContact O-N 3.2Å |
| 411 | I | 84.9 | Confident | 84.4 | Confident | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -51.5 | -176.1 | -67.5 | 168 | 0 | 0 | 0 | 111.1 | L200 I203 D204 L407 S413 L414 D415 | L200-I411 HydrophobicContact CD2-CG2 3.82Å; L200-I411 HydrophobicContact CG-CG2 4.3Å; I203-I411 HydrophobicContact CB-CD1 4.4Å; I203-I411 HydrophobicContact CG2-CD1 3.46Å; I203-I411 VanDerWaalsContact CG2-CD1 3.46Å; D204-I411 HydrophobicContact CB-CG2 3.76Å; L407-I411 HydrophobicContact CD1-CD1 3.83Å; L407-I411 HydrophobicContact CD1-CG1 4.42Å; L407-I411 HydrophobicContact CD2-CD1 4.5Å; L407-I411 HydrophobicContact CG-CD1 3.74Å; L407-I411 VanDerWaalsContact O-CG1 3.3Å; L407-I411 WeakPolarHBondContact O-CG1 3.25Å; L407-I411 PolarHBondContact O-N 3.48Å; I411-S413 VanDerWaalsContact C-N 3.3Å; I411-S413 PolarHBondContact O-N 2.9Å; I411-L414 PolarHBondContact O-N 3.32Å; I411-L414 VanDerWaalsContact O-N 3.16Å; I411-D415 PolarHBondContact O-N 2.86Å |
| 412 | R | 80.8 | Confident | 84 | Confident | 36 Ų | 36 | 47.5 Ų | 47.5 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -31.7 | -178.1 | -65.2 | -69.2 | 179.3 | 169.5 | -6.5 | 112.7 | D204 Y206 L399 Q408 I410 | D204-R412 IonicContact OD1-CZ 3.67Å; D204-R412 IonicContact OD1-NE 2.72Å; D204-R412 PolarHBondContact OD1-NE 2.88Å; D204-R412 IonicContact OD1-NH2 3.85Å; D204-R412 PolarHBondContact OD1-NH2 2.93Å; D204-R412 IonicContact OD2-CZ 2.85Å; D204-R412 IonicContact OD2-NE 3.28Å; D204-R412 PolarHBondContact OD2-NE 2.83Å; D204-R412 IonicContact OD2-NH1 3.49Å; D204-R412 PolarHBondContact OD2-NH1 2.97Å; D204-R412 VanDerWaalsContact OD2-NH1 3.09Å; D204-R412 IonicContact OD2-NH2 2.8Å; D204-R412 PolarHBondContact OD2-NH2 2.9Å; Y206-R412 PolarHBondContact OH-NH1 3.32Å; L399-R412 HydrophobicContact CD1-CB 3.75Å; Q408-R412 WeakPolarHBondContact O-CB 3.4Å; Q408-R412 WeakPolarHBondContact O-CG 3.43Å; Q408-R412 PolarHBondContact O-N 2.76Å; I410-R412 PolarHBondContact O-N 2.76Å |
| 413 | S | 86.4 | Confident | 83.7 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.6 | -36.4 | 174.2 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | T392 L409 I410 I411 | T392-S413 WeakPolarHBondContact CG2-O 3.48Å; T392-S413 PolarHBondContact OG1-O 2.77Å; L409-S413 WeakPolarHBondContact O-CB 3.36Å; L409-S413 PolarHBondContact O-N 2.56Å; L409-S413 VanDerWaalsContact O-N 3.15Å; L409-S413 PolarHBondContact O-OG 3.4Å; L409-S413 VanDerWaalsContact O-OG 3.06Å; I410-S413 PolarHBondContact O-N 3.33Å; I410-S413 PolarHBondContact O-OG 3.03Å; I411-S413 VanDerWaalsContact C-N 3.3Å; I411-S413 PolarHBondContact O-N 2.9Å |
| 414 | L | 87.3 | Confident | 83.4 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.2 | -29.3 | 176.8 | -72 | 174.7 | 0 | 0 | 0 | 112.6 | L200 I410 I411 V416 V417 | L200-L414 HydrophobicContact CD1-CB 3.56Å; I410-L414 HydrophobicContact CG2-CD1 3.77Å; I410-L414 HydrophobicContact CG2-CG 4.44Å; I410-L414 WeakPolarHBondContact O-CG 3.34Å; I410-L414 PolarHBondContact O-N 3.2Å; I411-L414 PolarHBondContact O-N 3.32Å; I411-L414 VanDerWaalsContact O-N 3.16Å; L414-V416 PolarHBondContact O-N 3.37Å; L414-V417 VanDerWaalsContact O-CB 3.29Å; L414-V417 WeakPolarHBondContact O-CB 3.47Å; L414-V417 PolarHBondContact O-N 3.4Å |
| 415 | D | 86.3 | Confident | 83.2 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -33.8 | 176.1 | -168.4 | 38.3 | 0 | 0 | 0 | 112.3 | L200 W201 I411 V417 T418 I419 | L200-D415 HydrophobicContact CD2-CB 3.8Å; W201-D415 VanDerWaalsContact CD1-OD1 3.31Å; W201-D415 PolarHBondContact NE1-OD1 3.48Å; I411-D415 PolarHBondContact O-N 2.86Å; D415-V417 PolarHBondContact O-N 3.5Å; D415-V417 VanDerWaalsContact O-N 3.1Å; D415-T418 PolarHBondContact O-N 2.86Å; D415-T418 PolarHBondContact O-OG1 3.3Å; D415-T418 PolarHBondContact OD1-OG1 2.61Å; D415-I419 WeakPolarHBondContact O-CG1 3.32Å; D415-I419 PolarHBondContact O-N 2.95Å; D415-I419 VanDerWaalsContact O-N 3.1Å |
| 416 | V | 87.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.9 | -31.8 | 173.6 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | I395 L414 A420 F898 | I395-V416 HydrophobicContact CB-CG2 4.35Å; I395-V416 HydrophobicContact CG1-CG2 4.03Å; I395-V416 HydrophobicContact CG2-CG2 4.4Å; L414-V416 PolarHBondContact O-N 3.37Å; V416-A420 WeakPolarHBondContact O-CB 3.32Å; V416-A420 PolarHBondContact O-N 2.9Å; V416-F898 HydrophobicContact CG1-CD2 3.88Å; V416-F898 HydrophobicContact CG1-CE2 3.37Å; V416-F898 HydrophobicContact CG1-CZ 4.39Å |
| 417 | V | 87.3 | Confident | 82 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.1 | -38.4 | 176.4 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | F193 T392 L414 D415 I419 A420 V421 | F193-V417 HydrophobicContact CE2-CG1 4.34Å; T392-V417 WeakPolarHBondContact OG1-CG2 3.49Å; L414-V417 VanDerWaalsContact O-CB 3.29Å; L414-V417 WeakPolarHBondContact O-CB 3.47Å; L414-V417 PolarHBondContact O-N 3.4Å; D415-V417 PolarHBondContact O-N 3.5Å; D415-V417 VanDerWaalsContact O-N 3.1Å; V417-I419 VanDerWaalsContact C-N 3.35Å; V417-A420 PolarHBondContact O-N 2.78Å; V417-V421 PolarHBondContact O-N 3.38Å |
| 418 | T | 86.9 | Confident | 81.7 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 179.6 | 75.3 | 0 | 0 | 0 | 0 | 111.2 | F196 L200 W201 D415 V421 | F196-T418 HydrophobicContact CE1-CG2 4.28Å; L200-T418 HydrophobicContact CD1-CG2 4.08Å; W201-T418 PolarHBondContact NE1-OG1 3.33Å; D415-T418 PolarHBondContact O-N 2.86Å; D415-T418 PolarHBondContact O-OG1 3.3Å; D415-T418 PolarHBondContact OD1-OG1 2.61Å; T418-V421 PolarHBondContact O-N 2.9Å |
| 419 | I | 86.9 | Confident | 81.4 | Confident | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.9 | -35.4 | 178.1 | -61.8 | 171.6 | 0 | 0 | 0 | 111.7 | D415 V417 V421 S894 Q897 V901 | D415-I419 WeakPolarHBondContact O-CG1 3.32Å; D415-I419 PolarHBondContact O-N 2.95Å; D415-I419 VanDerWaalsContact O-N 3.1Å; V417-I419 VanDerWaalsContact C-N 3.35Å; I419-V421 VanDerWaalsContact C-N 3.3Å; I419-V421 PolarHBondContact O-N 3.02Å; I419-S894 PolarHBondContact O-OG 3.42Å; I419-Q897 HydrophobicContact CG2-CB 4.07Å; I419-Q897 HydrophobicContact CG2-CG 3.68Å; I419-V901 HydrophobicContact CD1-CB 4.42Å; I419-V901 HydrophobicContact CD1-CG1 4.02Å; I419-V901 HydrophobicContact CD1-CG2 4.01Å |
| 420 | A | 85.6 | Confident | 81 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.1 | -20.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L384 A388 V416 V417 S894 F898 | L384-A420 WeakPolarHBondContact CD2-O 3.35Å; L384-A420 WeakPolarHBondContact CG-O 3.35Å; A388-A420 HydrophobicContact CB-CB 3.44Å; A388-A420 VanDerWaalsContact CB-CB 3.44Å; V416-A420 WeakPolarHBondContact O-CB 3.32Å; V416-A420 PolarHBondContact O-N 2.9Å; V417-A420 PolarHBondContact O-N 2.78Å; A420-S894 WeakPolarHBondContact CA-OG 3.44Å; A420-S894 PolarHBondContact O-OG 3.13Å; A420-F898 HydrophobicContact CB-CD2 4.04Å; A420-F898 HydrophobicContact CB-CE2 4.41Å |
| 421 | V | 82.4 | Confident | 80.7 | Confident | 12 Ų | 12 | 22.7 Ų | 22.7 | 7% | 0.073 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -114.4 | 106.8 | 179.7 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | F193 L381 V417 T418 I419 P423 | F193-V421 HydrophobicContact CD1-CB 4.39Å; F193-V421 HydrophobicContact CD1-CG1 4.02Å; F193-V421 HydrophobicContact CE1-CB 3.54Å; F193-V421 HydrophobicContact CE1-CG1 3.65Å; F193-V421 HydrophobicContact CE2-CB 4.47Å; F193-V421 HydrophobicContact CZ-CB 3.57Å; F193-V421 HydrophobicContact CZ-CG1 4.07Å; F193-V421 HydrophobicContact CZ-CG2 4.18Å; L381-V421 HydrophobicContact CD1-CB 4.38Å; L381-V421 HydrophobicContact CD1-CG1 3.64Å; L381-V421 HydrophobicContact CD1-CG2 3.91Å; V417-V421 PolarHBondContact O-N 3.38Å; T418-V421 PolarHBondContact O-N 2.9Å; I419-V421 VanDerWaalsContact C-N 3.3Å; I419-V421 PolarHBondContact O-N 3.02Å; V421-P423 WeakPolarHBondContact O-CD 2.99Å |
| 422 | P | 76.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | trans | -68 | 121.8 | -173.8 | 19.2 | -26.5 | 0 | 0 | 0 | 112.3 | A424 L425 Y893 | P422-A424 PolarHBondContact O-N 2.8Å; P422-L425 HydrophobicContact CB-CB 4.41Å; P422-L425 HydrophobicContact CG-CB 4.04Å; P422-L425 HydrophobicContact CG-CD1 4.41Å; P422-L425 HydrophobicContact CG-CD2 4.39Å; P422-L425 VanDerWaalsContact O-CB 3.28Å; P422-L425 WeakPolarHBondContact O-CB 3.36Å; P422-L425 PolarHBondContact O-N 3.42Å; P422-L425 VanDerWaalsContact O-N 3.16Å; P422-Y893 WeakPolarHBondContact CA-OH 3.42Å; P422-Y893 HydrophobicContact CB-CE1 3.44Å; P422-Y893 VanDerWaalsContact CB-CE1 3.44Å; P422-Y893 WeakPolarHBondContact CB-OH 3.43Å; P422-Y893 HydrophobicContact CG-CE1 4.25Å | ||
| 423 | P | 71.1 | Confident | 80.9 | Confident | 25 Ų | 25 | 20.4 Ų | 20.4 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.8 | -176.4 | 25.8 | -34.1 | 0 | 0 | 0 | 112.6 | Q194 V421 L425 | Q194-P423 HydrophobicContact CG-CB 3.9Å; Q194-P423 PolarHBondContact NE2-O 3.32Å; V421-P423 WeakPolarHBondContact O-CD 2.99Å; P423-L425 VanDerWaalsContact C-N 3.33Å |
| 424 | A | 72.9 | Confident | 81 | Confident | 34 Ų | 34 | 24.6 Ų | 24.6 | 28% | 0.281 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P422 A427 A428 M890 | P422-A424 PolarHBondContact O-N 2.8Å; A424-A427 PolarHBondContact O-N 2.96Å; A424-A428 WeakPolarHBondContact O-CB 3.15Å; A424-A428 PolarHBondContact O-N 2.9Å; A424-M890 HydrophobicContact CB-CE 4.25Å |
| 425 | L | 75.6 | Confident | 81.1 | Confident | 9 Ų | 9 | 23.9 Ų | 23.9 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | -173.6 | -174.4 | 66 | 0 | 0 | 0 | 114.1 | P422 P423 A428 I429 F887 M890 | P422-L425 HydrophobicContact CB-CB 4.41Å; P422-L425 HydrophobicContact CG-CB 4.04Å; P422-L425 HydrophobicContact CG-CD1 4.41Å; P422-L425 HydrophobicContact CG-CD2 4.39Å; P422-L425 VanDerWaalsContact O-CB 3.28Å; P422-L425 WeakPolarHBondContact O-CB 3.36Å; P422-L425 PolarHBondContact O-N 3.42Å; P422-L425 VanDerWaalsContact O-N 3.16Å; P423-L425 VanDerWaalsContact C-N 3.33Å; L425-A428 PolarHBondContact O-N 3.25Å; L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 HydrophobicContact CG-CD1 4.25Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 2.67Å; L425-F887 HydrophobicContact CD1-CD2 4.01Å; L425-F887 HydrophobicContact CD1-CE2 4.33Å; L425-M890 HydrophobicContact CD1-CB 3.52Å; L425-M890 HydrophobicContact CD1-CG 4.16Å |
| 426 | P | 71.8 | Confident | 81.3 | Confident | 41 Ų | 41 | 23.4 Ų | 23.4 | 27% | 0.266 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.5 | -21.7 | 34.7 | 0 | 0 | 0 | 112.5 | F190 A428 I429 T430 | F190-P426 HydrophobicContact CB-CG 3.98Å; F190-P426 HydrophobicContact CD1-CG 3.32Å; F190-P426 HydrophobicContact CD2-CB 4.46Å; F190-P426 HydrophobicContact CD2-CG 3.57Å; F190-P426 HydrophobicContact CE1-CG 3.56Å; F190-P426 HydrophobicContact CE2-CG 3.79Å; F190-P426 HydrophobicContact CG-CG 3.33Å; F190-P426 HydrophobicContact CZ-CG 3.79Å; P426-A428 VanDerWaalsContact C-N 3.34Å; P426-A428 PolarHBondContact O-N 3.36Å; P426-I429 PolarHBondContact O-N 3.03Å; P426-T430 PolarHBondContact O-N 2.98Å; P426-T430 PolarHBondContact O-OG1 3.33Å |
| 427 | A | 74.3 | Confident | 81.5 | Confident | 51 Ų | 51 | 26 Ų | 26 | 42% | 0.421 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | A424 I429 T430 T431 | A424-A427 PolarHBondContact O-N 2.96Å; A427-I429 PolarHBondContact O-N 2.94Å; A427-T430 PolarHBondContact O-N 3.33Å; A427-T430 PolarHBondContact O-OG1 3.34Å; A427-T431 PolarHBondContact O-N 3.21Å; A427-T431 PolarHBondContact O-OG1 3.27Å |
| 428 | A | 76.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.033 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A424 L425 P426 T430 T431 L886 M890 | A424-A428 WeakPolarHBondContact O-CB 3.15Å; A424-A428 PolarHBondContact O-N 2.9Å; L425-A428 PolarHBondContact O-N 3.25Å; P426-A428 VanDerWaalsContact C-N 3.34Å; P426-A428 PolarHBondContact O-N 3.36Å; A428-T430 VanDerWaalsContact C-N 3.32Å; A428-T430 PolarHBondContact O-N 3.41Å; A428-T431 PolarHBondContact O-N 3.15Å; A428-L886 VanDerWaalsContact O-CD1 3.24Å; A428-L886 WeakPolarHBondContact O-CD1 3.26Å; A428-M890 HydrophobicContact CB-CE 3.46Å; A428-M890 VanDerWaalsContact CB-CE 3.46Å; A428-M890 HydrophobicContact CB-CG 3.65Å; A428-M890 HydrophobicContact CB-SD 4.34Å |
| 429 | I | 74.7 | Confident | 81.8 | Confident | 16 Ų | 16 | 29.1 Ų | 29.1 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | -179.8 | -69.4 | 166.5 | 0 | 0 | 0 | 111.5 | F373 Y374 L425 P426 A427 S883 F887 | F373-I429 HydrophobicContact CE1-CG2 3.65Å; F373-I429 HydrophobicContact CZ-CG2 4.17Å; Y374-I429 HydrophobicContact CE1-CG2 3.99Å; L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 HydrophobicContact CG-CD1 4.25Å; L425-I429 WeakPolarHBondContact O-CG1 3.37Å; L425-I429 PolarHBondContact O-N 2.67Å; P426-I429 PolarHBondContact O-N 3.03Å; A427-I429 PolarHBondContact O-N 2.94Å; I429-S883 PolarHBondContact O-OG 3.36Å; I429-S883 VanDerWaalsContact O-OG 3.07Å; I429-F887 HydrophobicContact CD1-CD2 4.13Å; I429-F887 HydrophobicContact CG1-CD2 4.47Å |
| 430 | T | 77.3 | Confident | 82 | Confident | 61 Ų | 61 | 28.6 Ų | 28.6 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -81.4 | -23.2 | -177.9 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | P426 A427 A428 G432 T433 I434 | P426-T430 PolarHBondContact O-N 2.98Å; P426-T430 PolarHBondContact O-OG1 3.33Å; A427-T430 PolarHBondContact O-N 3.33Å; A427-T430 PolarHBondContact O-OG1 3.34Å; A428-T430 VanDerWaalsContact C-N 3.32Å; A428-T430 PolarHBondContact O-N 3.41Å; T430-G432 VanDerWaalsContact C-N 3.28Å; T430-G432 PolarHBondContact O-N 2.68Å; T430-T433 WeakPolarHBondContact CA-OG1 3.28Å; T430-T433 PolarHBondContact O-N 2.92Å; T430-T433 PolarHBondContact O-OG1 2.98Å; T430-I434 WeakPolarHBondContact O-CG1 3.3Å; T430-I434 PolarHBondContact O-N 2.68Å |
| 431 | T | 82.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 35 Ų | 35 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | 178.3 | -65.5 | 0 | 0 | 0 | 0 | 112.2 | A427 A428 T433 I434 Y435 | A427-T431 PolarHBondContact O-N 3.21Å; A427-T431 PolarHBondContact O-OG1 3.27Å; A428-T431 PolarHBondContact O-N 3.15Å; T431-T433 VanDerWaalsContact C-N 3.31Å; T431-T433 PolarHBondContact O-N 2.78Å; T431-I434 PolarHBondContact O-N 3.11Å; T431-Y435 HydrophobicContact CG2-CD2 3.77Å; T431-Y435 HydrophobicContact CG2-CE2 3.4Å; T431-Y435 VanDerWaalsContact CG2-CE2 3.4Å; T431-Y435 VanDerWaalsContact O-CD2 3.3Å; T431-Y435 WeakPolarHBondContact O-CD2 3.33Å; T431-Y435 PolarHBondContact O-N 3.3Å; T431-Y435 VanDerWaalsContact O-N 3.16Å |
| 432 | G | 82.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -33.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T430 A436 S879 | T430-G432 VanDerWaalsContact C-N 3.28Å; T430-G432 PolarHBondContact O-N 2.68Å; G432-A436 WeakPolarHBondContact O-CB 3.4Å; G432-A436 PolarHBondContact O-N 2.74Å; G432-S879 PolarHBondContact O-OG 3.13Å |
| 433 | T | 87.3 | Confident | 83.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -78 | -36.7 | 176.7 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | T430 T431 A436 Q437 N454 S879 | T430-T433 WeakPolarHBondContact CA-OG1 3.28Å; T430-T433 PolarHBondContact O-N 2.92Å; T430-T433 PolarHBondContact O-OG1 2.98Å; T431-T433 VanDerWaalsContact C-N 3.31Å; T431-T433 PolarHBondContact O-N 2.78Å; T433-A436 PolarHBondContact O-N 2.93Å; T433-Q437 WeakPolarHBondContact O-CB 3.22Å; T433-Q437 PolarHBondContact O-N 3.37Å; T433-N454 VanDerWaalsContact CG2-ND2 3.3Å; T433-N454 WeakPolarHBondContact CG2-ND2 3.19Å; T433-S879 WeakPolarHBondContact CA-OG 3.29Å |
| 434 | I | 87.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 49% | 0.487 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 178.3 | -68.1 | 166.1 | 0 | 0 | 0 | 110.6 | T430 T431 A436 Q437 S438 | T430-I434 WeakPolarHBondContact O-CG1 3.3Å; T430-I434 PolarHBondContact O-N 2.68Å; T431-I434 PolarHBondContact O-N 3.11Å; I434-A436 PolarHBondContact O-N 2.81Å; I434-Q437 PolarHBondContact O-N 3.37Å; I434-S438 PolarHBondContact O-N 2.81Å |
| 435 | Y | 89.3 | Confident | 84.9 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 20% | 0.204 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 176.9 | -71.4 | -51.8 | 0 | 0 | 0 | 112.6 | T431 S438 R439 I929 G932 R933 | T431-Y435 HydrophobicContact CG2-CD2 3.77Å; T431-Y435 HydrophobicContact CG2-CE2 3.4Å; T431-Y435 VanDerWaalsContact CG2-CE2 3.4Å; T431-Y435 VanDerWaalsContact O-CD2 3.3Å; T431-Y435 WeakPolarHBondContact O-CD2 3.33Å; T431-Y435 PolarHBondContact O-N 3.3Å; T431-Y435 VanDerWaalsContact O-N 3.16Å; Y435-S438 PolarHBondContact O-N 3.48Å; Y435-R439 WeakPolarHBondContact O-CG 3.24Å; Y435-R439 PolarHBondContact O-N 2.8Å; Y435-I929 WeakPolarHBondContact CE2-O 3.44Å; Y435-I929 VanDerWaalsContact OH-CG2 3.3Å; Y435-I929 WeakPolarHBondContact OH-CG2 3.33Å; Y435-G932 VanDerWaalsContact CD2-C 3.48Å; Y435-G932 WeakPolarHBondContact CD2-O 3.38Å; Y435-R933 HydrophobicContact CD1-CG 4.33Å; Y435-R933 HydrophobicContact CD2-CG 4.21Å; Y435-R933 HydrophobicContact CE1-CG 4.01Å; Y435-R933 HydrophobicContact CE2-CG 3.82Å; Y435-R933 HydrophobicContact CG-CG 4.45Å |
| 436 | A | 91.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G432 T433 I434 S438 R439 L440 I453 | G432-A436 WeakPolarHBondContact O-CB 3.4Å; G432-A436 PolarHBondContact O-N 2.74Å; T433-A436 PolarHBondContact O-N 2.93Å; I434-A436 PolarHBondContact O-N 2.81Å; A436-S438 VanDerWaalsContact C-N 3.35Å; A436-S438 PolarHBondContact O-N 2.8Å; A436-R439 PolarHBondContact O-N 3.17Å; A436-L440 WeakPolarHBondContact O-CB 3.4Å; A436-L440 WeakPolarHBondContact O-CG 3.18Å; A436-L440 PolarHBondContact O-N 2.85Å; A436-I453 HydrophobicContact CB-CG2 3.96Å |
| 437 | Q | 90.9 | Very high | 86 | Confident | 58 Ų | 58 | 49 Ų | 49 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 175.5 | -171.9 | -176.7 | 14.4 | 0 | 0 | 111.7 | T433 I434 R439 L440 K441 C447 I453 | T433-Q437 WeakPolarHBondContact O-CB 3.22Å; T433-Q437 PolarHBondContact O-N 3.37Å; I434-Q437 PolarHBondContact O-N 3.37Å; Q437-R439 VanDerWaalsContact C-N 3.34Å; Q437-R439 PolarHBondContact O-N 3.24Å; Q437-L440 PolarHBondContact O-N 3.37Å; Q437-K441 WeakPolarHBondContact O-CB 3.47Å; Q437-K441 PolarHBondContact O-N 2.96Å; Q437-C447 HydrophobicContact CG-CB 4.32Å; Q437-C447 PolarHBondContact NE2-O 3.15Å; Q437-C447 VanDerWaalsContact NE2-O 3.16Å; Q437-I453 HydrophobicContact CB-CD1 3.84Å; Q437-I453 HydrophobicContact CG-CD1 4.46Å |
| 438 | S | 88.9 | Confident | 86.2 | Confident | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | I434 Y435 A436 K442 | I434-S438 PolarHBondContact O-N 2.81Å; Y435-S438 PolarHBondContact O-N 3.48Å; A436-S438 VanDerWaalsContact C-N 3.35Å; A436-S438 PolarHBondContact O-N 2.8Å; S438-K442 WeakPolarHBondContact O-CG 3.37Å; S438-K442 PolarHBondContact O-N 2.84Å; S438-K442 VanDerWaalsContact O-N 3.16Å |
| 439 | R | 92.1 | Very high | 86.2 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 176.7 | -71.1 | -169.4 | -57.1 | -94.5 | -1 | 112.8 | Y435 A436 Q437 K442 R443 E875 | Y435-R439 WeakPolarHBondContact O-CG 3.24Å; Y435-R439 PolarHBondContact O-N 2.8Å; A436-R439 PolarHBondContact O-N 3.17Å; Q437-R439 VanDerWaalsContact C-N 3.34Å; Q437-R439 PolarHBondContact O-N 3.24Å; R439-K442 PolarHBondContact O-N 3.44Å; R439-R443 PolarHBondContact O-N 3.16Å; R439-E875 IonicContact CZ-OE1 3.75Å; R439-E875 IonicContact CZ-OE2 2.76Å; R439-E875 IonicContact NE-OE1 3.74Å; R439-E875 PolarHBondContact NE-OE1 2.52Å; R439-E875 IonicContact NE-OE2 3.79Å; R439-E875 PolarHBondContact NE-OE2 3.38Å; R439-E875 VanDerWaalsContact NE-OE2 3.16Å; R439-E875 IonicContact NH2-OE1 2.62Å; R439-E875 IonicContact NH2-OE2 3.82Å; R439-E875 PolarHBondContact NH2-OE2 3.44Å |
| 440 | L | 92.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 175 | -74.1 | 170.7 | 0 | 0 | 0 | 111.1 | A436 Q437 K442 R443 G444 I445 I453 L872 E875 | A436-L440 WeakPolarHBondContact O-CB 3.4Å; A436-L440 WeakPolarHBondContact O-CG 3.18Å; A436-L440 PolarHBondContact O-N 2.85Å; Q437-L440 PolarHBondContact O-N 3.37Å; L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 2.84Å; L440-R443 CarbonylContact O-C 3.56Å; L440-R443 WeakPolarHBondContact O-CA 3.11Å; L440-R443 PolarHBondContact O-N 3.11Å; L440-G444 PolarHBondContact O-N 3.29Å; L440-I445 CarbonylContact C-O 3.47Å; L440-I445 HydrophobicContact CB-CB 4.24Å; L440-I445 HydrophobicContact CD2-CB 4.35Å; L440-I445 HydrophobicContact CD2-CD1 4.04Å; L440-I445 HydrophobicContact CD2-CG2 4.46Å; L440-I445 PolarHBondContact O-N 3.38Å; L440-I453 HydrophobicContact CD1-CD1 4.21Å; L440-I453 HydrophobicContact CD1-CG1 4.26Å; L440-I453 HydrophobicContact CD1-CG2 4.47Å; L440-L872 HydrophobicContact CD1-CD1 3.92Å; L440-L872 HydrophobicContact CD2-CD1 4.2Å; L440-E875 HydrophobicContact CD1-CB 4.49Å; L440-E875 HydrophobicContact CD2-CB 4.04Å; L440-E875 HydrophobicContact CD2-CG 3.9Å; L440-E875 HydrophobicContact CG-CB 4.29Å; L440-E875 HydrophobicContact CG-CG 4.25Å |
| 441 | K | 89.5 | Confident | 86.7 | Confident | 136 Ų | 136 | 52.7 Ų | 52.7 | 59% | 0.591 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.7 | -40.1 | 176.9 | -170.9 | 178.9 | -179.2 | 178 | 0 | 112.2 | Q437 R443 G444 I445 F446 | Q437-K441 WeakPolarHBondContact O-CB 3.47Å; Q437-K441 PolarHBondContact O-N 2.96Å; K441-R443 PolarHBondContact O-N 3.25Å; K441-G444 PolarHBondContact O-N 2.93Å; K441-G444 VanDerWaalsContact O-N 3.13Å; K441-I445 WeakPolarHBondContact CA-O 3.35Å; K441-I445 PolarHBondContact N-O 2.86Å; K441-F446 HydrophobicContact CG-CD1 4.15Å; K441-F446 HydrophobicContact CG-CE1 4.01Å |
| 442 | K | 90.8 | Very high | 87 | Confident | 176 Ų | 176 | 52.9 Ų | 52.9 | 77% | 0.765 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.1 | -23.6 | 174.9 | -74.2 | 179.1 | -178.6 | -170.6 | 0 | 113.6 | S438 R439 L440 | S438-K442 WeakPolarHBondContact O-CG 3.37Å; S438-K442 PolarHBondContact O-N 2.84Å; S438-K442 VanDerWaalsContact O-N 3.16Å; R439-K442 PolarHBondContact O-N 3.44Å; L440-K442 VanDerWaalsContact C-N 3.29Å; L440-K442 PolarHBondContact O-N 2.84Å |
| 443 | R | 89.6 | Confident | 87.4 | Confident | 126 Ų | 126 | 52.8 Ų | 52.8 | 48% | 0.475 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 14.6 | 176.1 | -64.2 | -173.5 | -179.6 | -143.4 | 4.4 | 112.8 | R439 L440 K441 I445 L871 | R439-R443 PolarHBondContact O-N 3.16Å; L440-R443 CarbonylContact O-C 3.56Å; L440-R443 WeakPolarHBondContact O-CA 3.11Å; L440-R443 PolarHBondContact O-N 3.11Å; K441-R443 PolarHBondContact O-N 3.25Å; R443-I445 VanDerWaalsContact C-N 3.35Å; R443-I445 PolarHBondContact O-N 3.26Å; R443-L871 HydrophobicContact CB-CD2 3.96Å; R443-L871 HydrophobicContact CG-CD2 4.32Å |
| 444 | G | 87.7 | Confident | 87.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 15.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | L440 K441 K862 | L440-G444 PolarHBondContact O-N 3.29Å; K441-G444 PolarHBondContact O-N 2.93Å; K441-G444 VanDerWaalsContact O-N 3.13Å; G444-K862 WeakPolarHBondContact O-CB 3.26Å; G444-K862 PolarHBondContact O-N 3.24Å |
| 445 | I | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.5 | 174.6 | -57.4 | 171.9 | 0 | 0 | 0 | 108.9 | L440 K441 R443 F859 T860 C868 L871 | L440-I445 CarbonylContact C-O 3.47Å; L440-I445 HydrophobicContact CB-CB 4.24Å; L440-I445 HydrophobicContact CD2-CB 4.35Å; L440-I445 HydrophobicContact CD2-CD1 4.04Å; L440-I445 HydrophobicContact CD2-CG2 4.46Å; L440-I445 PolarHBondContact O-N 3.38Å; K441-I445 WeakPolarHBondContact CA-O 3.35Å; K441-I445 PolarHBondContact N-O 2.86Å; R443-I445 VanDerWaalsContact C-N 3.35Å; R443-I445 PolarHBondContact O-N 3.26Å; I445-F859 HydrophobicContact CG2-CD1 4.45Å; I445-T860 CarbonylContact C-O 3.48Å; I445-T860 WeakPolarHBondContact CA-O 3.41Å; I445-C868 HydrophobicContact CD1-CB 3.7Å; I445-C868 HydrophobicContact CG1-CB 4.16Å; I445-L871 HydrophobicContact CD1-CD2 3.68Å; I445-L871 HydrophobicContact CD1-CG 4.21Å |
| 446 | F | 86.9 | Confident | 87.8 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 143.1 | 177.7 | -57.6 | -83.8 | 0 | 0 | 0 | 110.2 | K441 F859 T860 K862 | K441-F446 HydrophobicContact CG-CD1 4.15Å; K441-F446 HydrophobicContact CG-CE1 4.01Å; F446-F859 VanDerWaalsContact O-CA 3.28Å; F446-F859 WeakPolarHBondContact O-CA 3.46Å; F446-T860 PolarHBondContact N-O 3.47Å; F446-T860 PolarHBondContact O-N 3.27Å; F446-K862 HydrophobicContact CE2-CB 4.49Å |
| 447 | C | 84.5 | Confident | 87.7 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.095 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 121.6 | -178 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | Q437 S449 P858 F859 | Q437-C447 HydrophobicContact CG-CB 4.32Å; Q437-C447 PolarHBondContact NE2-O 3.15Å; Q437-C447 VanDerWaalsContact NE2-O 3.16Å; C447-S449 PolarHBondContact SG-O 2.85Å; C447-S449 VanDerWaalsContact SG-O 3.41Å; C447-P858 WeakPolarHBondContact CA-O 3.27Å; C447-F859 HydrophobicContact CB-CD1 3.73Å; C447-F859 HydrophobicContact CB-CE1 3.67Å; C447-F859 WeakPolarHBondContact SG-CE1 3.23Å |
| 448 | I | 77.9 | Confident | 87.7 | Confident | 92 Ų | 92 | 44.5 Ų | 44.5 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -85.2 | -34.7 | 178.8 | -57.2 | 174.5 | 0 | 0 | 0 | 110.5 | P450 V855 P858 | I448-P450 WeakPolarHBondContact O-CD 3.42Å; I448-V855 HydrophobicContact CD1-CG1 4Å; I448-V855 WeakPolarHBondContact CD1-O 3.31Å; I448-P858 PolarHBondContact N-O 3.41Å |
| 449 | S | 75.9 | Confident | 87.8 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | trans | -119.3 | 90.6 | -177.1 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | C447 R452 | C447-S449 PolarHBondContact SG-O 2.85Å; C447-S449 VanDerWaalsContact SG-O 3.41Å; S449-R452 WeakPolarHBondContact O-CB 3.5Å; S449-R452 PolarHBondContact O-N 3.23Å | ||
| 450 | P | 81.4 | Confident | 87.8 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 23% | 0.234 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -37 | -175.9 | -25.5 | 33.1 | 0 | 0 | 0 | 116.1 | I448 R452 I453 | I448-P450 WeakPolarHBondContact O-CD 3.42Å; P450-R452 PolarHBondContact O-N 2.94Å; P450-R452 VanDerWaalsContact O-N 3.15Å; P450-I453 VanDerWaalsContact O-CB 3.28Å; P450-I453 WeakPolarHBondContact O-CB 3.5Å; P450-I453 WeakPolarHBondContact O-CG1 3.4Å; P450-I453 PolarHBondContact O-N 2.6Å |
| 451 | P | 82.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 29% | 0.292 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -26.1 | 177.3 | -26.2 | 36 | 0 | 0 | 0 | 114 | I369 I453 N454 | I369-P451 HydrophobicContact CD1-CB 4.18Å; P451-I453 PolarHBondContact O-N 3.09Å; P451-N454 PolarHBondContact O-N 3.43Å |
| 452 | R | 86.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 11% | 0.106 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -20.9 | 177.7 | -65.5 | -167.9 | -174.5 | -152.9 | 10.7 | 112.9 | I369 S449 P450 N454 I455 C456 A842 F859 | I369-R452 HydrophobicContact CD1-CG 3.71Å; S449-R452 WeakPolarHBondContact O-CB 3.5Å; S449-R452 PolarHBondContact O-N 3.23Å; P450-R452 PolarHBondContact O-N 2.94Å; P450-R452 VanDerWaalsContact O-N 3.15Å; R452-N454 VanDerWaalsContact C-N 3.25Å; R452-N454 PolarHBondContact O-N 3.31Å; R452-I455 HydrophobicContact CB-CD1 4.3Å; R452-I455 HydrophobicContact CG-CD1 4.08Å; R452-I455 WeakPolarHBondContact O-CA 3.27Å; R452-I455 WeakPolarHBondContact O-CB 3.38Å; R452-I455 PolarHBondContact O-N 3.45Å; R452-C456 PolarHBondContact O-N 3.36Å; R452-C456 VanDerWaalsContact O-N 3.16Å; R452-C456 PolarHBondContact O-SG 3.22Å; R452-A842 PolarHBondContact NH1-O 3.49Å; R452-F859 HydrophobicContact CB-CE2 4.09Å; R452-F859 HydrophobicContact CB-CZ 4.1Å |
| 453 | I | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.5 | -41.8 | 173.9 | -62 | 170 | 0 | 0 | 0 | 110.7 | A436 Q437 L440 P450 P451 I455 C456 F859 G876 | A436-I453 HydrophobicContact CB-CG2 3.96Å; Q437-I453 HydrophobicContact CB-CD1 3.84Å; Q437-I453 HydrophobicContact CG-CD1 4.46Å; L440-I453 HydrophobicContact CD1-CD1 4.21Å; L440-I453 HydrophobicContact CD1-CG1 4.26Å; L440-I453 HydrophobicContact CD1-CG2 4.47Å; P450-I453 VanDerWaalsContact O-CB 3.28Å; P450-I453 WeakPolarHBondContact O-CB 3.5Å; P450-I453 WeakPolarHBondContact O-CG1 3.4Å; P450-I453 PolarHBondContact O-N 2.6Å; P451-I453 PolarHBondContact O-N 3.09Å; I453-I455 VanDerWaalsContact C-N 3.26Å; I453-I455 PolarHBondContact O-N 2.95Å; I453-C456 VanDerWaalsContact O-CB 3.28Å; I453-C456 WeakPolarHBondContact O-CB 3.41Å; I453-C456 PolarHBondContact O-N 3.24Å; I453-F859 HydrophobicContact CG1-CE1 3.82Å; I453-F859 HydrophobicContact CG1-CZ 3.98Å; I453-G876 WeakPolarHBondContact O-CA 3.44Å |
| 454 | N | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -27.9 | 177.7 | -82.7 | -23.4 | 0 | 0 | 0 | 113 | F371 T433 P451 R452 G457 S879 L880 | F371-N454 HydrophobicContact CE1-CB 4.3Å; T433-N454 VanDerWaalsContact CG2-ND2 3.3Å; T433-N454 WeakPolarHBondContact CG2-ND2 3.19Å; P451-N454 PolarHBondContact O-N 3.43Å; R452-N454 VanDerWaalsContact C-N 3.25Å; R452-N454 PolarHBondContact O-N 3.31Å; N454-G457 PolarHBondContact O-N 2.8Å; N454-S879 VanDerWaalsContact OD1-C 3.3Å; N454-S879 WeakPolarHBondContact OD1-CB 3.33Å; N454-S879 PolarHBondContact OD1-OG 3.26Å; N454-L880 HydrophobicContact CB-CD1 4.09Å; N454-L880 WeakPolarHBondContact OD1-CA 3.49Å; N454-L880 PolarHBondContact OD1-N 3.16Å |
| 455 | I | 90.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.2 | -34.7 | 177.7 | -50.7 | 173.5 | 0 | 0 | 0 | 110.4 | I369 F371 R452 I453 G457 K458 V459 D843 V844 | I369-I455 HydrophobicContact CG2-CD1 3.45Å; I369-I455 VanDerWaalsContact CG2-CD1 3.45Å; I369-I455 HydrophobicContact CG2-CG1 4.42Å; F371-I455 HydrophobicContact CD2-CG1 4.37Å; F371-I455 HydrophobicContact CG-CG1 4.43Å; R452-I455 HydrophobicContact CB-CD1 4.3Å; R452-I455 HydrophobicContact CG-CD1 4.08Å; R452-I455 WeakPolarHBondContact O-CA 3.27Å; R452-I455 WeakPolarHBondContact O-CB 3.38Å; R452-I455 PolarHBondContact O-N 3.45Å; I453-I455 VanDerWaalsContact C-N 3.26Å; I453-I455 PolarHBondContact O-N 2.95Å; I455-G457 PolarHBondContact O-N 3.46Å; I455-G457 VanDerWaalsContact O-N 3.11Å; I455-K458 WeakPolarHBondContact O-CA 3.39Å; I455-K458 PolarHBondContact O-N 2.75Å; I455-V459 PolarHBondContact O-N 2.88Å; I455-D843 HydrophobicContact CG2-CB 3.97Å; I455-V844 HydrophobicContact CB-CG2 4.37Å; I455-V844 HydrophobicContact CG2-CG2 4.24Å |
| 456 | C | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -52.1 | -35 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | R452 I453 K458 V459 V844 L872 | R452-C456 PolarHBondContact O-N 3.36Å; R452-C456 VanDerWaalsContact O-N 3.16Å; R452-C456 PolarHBondContact O-SG 3.22Å; I453-C456 VanDerWaalsContact O-CB 3.28Å; I453-C456 WeakPolarHBondContact O-CB 3.41Å; I453-C456 PolarHBondContact O-N 3.24Å; C456-K458 PolarHBondContact O-N 3.3Å; C456-K458 VanDerWaalsContact O-N 3.09Å; C456-V459 PolarHBondContact O-N 2.85Å; C456-V844 HydrophobicContact CB-CG2 4.4Å; C456-V844 WeakPolarHBondContact SG-CG1 3.14Å; C456-V844 VanDerWaalsContact SG-CG2 3.58Å; C456-L872 HydrophobicContact CB-CG 4.18Å |
| 457 | G | 89.9 | Confident | 88.6 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N454 I455 G876 | N454-G457 PolarHBondContact O-N 2.8Å; I455-G457 PolarHBondContact O-N 3.46Å; I455-G457 VanDerWaalsContact O-N 3.11Å; G457-G876 VanDerWaalsContact CA-C 3.48Å |
| 458 | K | 90.1 | Very high | 88.4 | Confident | 31 Ų | 31 | 16 Ų | 16 | 14% | 0.135 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 0.7 | -176.4 | -66.5 | -49.2 | -163.6 | 122.2 | 0 | 115.2 | F371 I455 C456 R825 L880 P945 P946 A947 | F371-K458 HydrophobicContact CE2-CG 4.09Å; F371-K458 HydrophobicContact CZ-CG 4.3Å; I455-K458 WeakPolarHBondContact O-CA 3.39Å; I455-K458 PolarHBondContact O-N 2.75Å; C456-K458 PolarHBondContact O-N 3.3Å; C456-K458 VanDerWaalsContact O-N 3.09Å; K458-R825 HydrophobicContact CB-CG 4.44Å; K458-R825 WeakPolarHBondContact O-CB 3.3Å; K458-L880 HydrophobicContact CD-CD2 3.97Å; K458-L880 VanDerWaalsContact CE-CD2 3.45Å; K458-L880 HydrophobicContact CG-CD2 3.88Å; K458-P945 HydrophobicContact CD-CG 4.34Å; K458-P945 WeakPolarHBondContact CE-O 3.38Å; K458-P945 PolarHBondContact NZ-O 3.21Å; K458-P946 VanDerWaalsContact CE-C 3.42Å; K458-P946 WeakPolarHBondContact CE-O 2.95Å; K458-P946 PolarHBondContact NZ-O 3.33Å; K458-A947 HydrophobicContact CD-CB 4.39Å; K458-A947 VanDerWaalsContact CE-CB 3.47Å; K458-A947 HydrophobicContact CG-CB 4.43Å |
| 459 | V | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | trans | -52.9 | 142.1 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | I455 C456 V461 F462 V844 | I455-V459 PolarHBondContact O-N 2.88Å; C456-V459 PolarHBondContact O-N 2.85Å; V459-V461 WeakPolarHBondContact CG1-O 3.12Å; V459-F462 HydrophobicContact CG1-CD2 3.67Å; V459-F462 HydrophobicContact CG1-CE2 4.16Å; V459-V844 HydrophobicContact CG2-CB 4.25Å; V459-V844 HydrophobicContact CG2-CG2 3.76Å | ||
| 460 | S | 91.2 | Very high | 89.5 | Confident | 8 Ų | 8 | 9.9 Ų | 9.9 | 6% | 0.056 | 6% | 0.057 | C | C | . | . | trans | -133.3 | -25.9 | -174.3 | 52.7 | 0 | 0 | 0 | 0 | 113.6 | R698 Y824 R825 R944 | S460-R698 PolarHBondContact O-N 3.11Å; S460-R698 VanDerWaalsContact O-N 3.1Å; S460-Y824 WeakPolarHBondContact OG-CD1 3.32Å; S460-R825 PolarHBondContact N-O 3.46Å; S460-R825 PolarHBondContact OG-N 2.8Å; S460-R825 PolarHBondContact OG-O 3.22Å; S460-R944 VanDerWaalsContact CB-NH1 3.31Å | ||
| 461 | V | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 134.6 | 172.7 | 178.8 | 0 | 0 | 0 | 0 | 106 | V459 R698 V700 L819 Y824 R825 V826 G827 | V459-V461 WeakPolarHBondContact CG1-O 3.12Å; V461-R698 CarbonylContact C-O 3.59Å; V461-R698 VanDerWaalsContact CA-O 3.25Å; V461-R698 WeakPolarHBondContact CA-O 3.41Å; V461-R698 HydrophobicContact CG2-CB 4.23Å; V461-V700 HydrophobicContact CG1-CG2 3.78Å; V461-L819 HydrophobicContact CG1-CD1 4.37Å; V461-Y824 HydrophobicContact CG2-CD1 3.36Å; V461-Y824 HydrophobicContact CG2-CD2 4.31Å; V461-Y824 HydrophobicContact CG2-CE1 3.71Å; V461-Y824 HydrophobicContact CG2-CG 3.68Å; V461-R825 PolarHBondContact N-O 3.35Å; V461-V826 WeakPolarHBondContact O-CA 3.49Å; V461-G827 PolarHBondContact O-N 2.81Å |
| 462 | F | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.3 | 172.2 | -135.6 | -68.2 | 0 | 0 | 0 | 108.4 | V459 F464 I697 R698 S699 V700 G827 C829 V846 V869 I873 | V459-F462 HydrophobicContact CG1-CD2 3.67Å; V459-F462 HydrophobicContact CG1-CE2 4.16Å; F462-F464 HydrophobicContact CB-CE2 3.8Å; F462-F464 HydrophobicContact CB-CZ 4.08Å; F462-F464 HydrophobicContact CD1-CE1 4.11Å; F462-F464 HydrophobicContact CD1-CE2 4.13Å; F462-F464 AromaticContact CD1-CZ 3.81Å; F462-F464 HydrophobicContact CD1-CZ 3.81Å; F462-F464 HydrophobicContact CG-CE2 4.28Å; F462-F464 HydrophobicContact CG-CZ 4.09Å; F462-I697 HydrophobicContact CB-CG2 4.29Å; F462-R698 PolarHBondContact N-O 3.33Å; F462-S699 CarbonylContact O-C 3.56Å; F462-S699 WeakPolarHBondContact O-CA 3.48Å; F462-V700 PolarHBondContact O-N 3.23Å; F462-G827 WeakPolarHBondContact CA-O 3.23Å; F462-C829 HydrophobicContact CD1-CB 4.45Å; F462-C829 HydrophobicContact CE1-CB 3.88Å; F462-V846 HydrophobicContact CZ-CG2 4.19Å; F462-V869 HydrophobicContact CD1-CG1 4.15Å; F462-V869 HydrophobicContact CD2-CG1 3.61Å; F462-V869 HydrophobicContact CE1-CG1 4.01Å; F462-V869 HydrophobicContact CE1-CG2 3.98Å; F462-V869 HydrophobicContact CE2-CG1 3.45Å; F462-V869 VanDerWaalsContact CE2-CG1 3.45Å; F462-V869 HydrophobicContact CG-CG1 3.98Å; F462-V869 HydrophobicContact CZ-CB 4.43Å; F462-V869 HydrophobicContact CZ-CG1 3.66Å; F462-V869 HydrophobicContact CZ-CG2 3.99Å; F462-I873 HydrophobicContact CD2-CD1 3.88Å; F462-I873 HydrophobicContact CE2-CD1 3.99Å; F462-I873 HydrophobicContact CE2-CG1 4.4Å |
| 463 | C | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 138.1 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 109.1 | V700 I702 G827 M828 C829 | C463-V700 CarbonylContact C-O 3.6Å; C463-V700 VanDerWaalsContact CA-O 3.26Å; C463-V700 WeakPolarHBondContact CA-O 3.5Å; C463-I702 HydrophobicContact CB-CD1 3.62Å; C463-I702 HydrophobicContact CB-CG1 4.3Å; C463-G827 PolarHBondContact N-O 2.95Å; C463-M828 HydrophobicContact CB-SD 3.47Å; C463-M828 WeakPolarHBondContact CB-SD 3.4Å; C463-M828 CarbonylContact O-C 3.49Å; C463-M828 WeakPolarHBondContact O-CA 3.47Å; C463-C829 PolarHBondContact O-N 3Å |
| 464 | F | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.1 | 179.7 | -65.6 | -85.5 | 0 | 0 | 0 | 109.6 | F462 T469 L470 I689 L692 V700 M701 I702 M719 C829 I866 V869 | F462-F464 HydrophobicContact CB-CE2 3.8Å; F462-F464 HydrophobicContact CB-CZ 4.08Å; F462-F464 HydrophobicContact CD1-CE1 4.11Å; F462-F464 HydrophobicContact CD1-CE2 4.13Å; F462-F464 AromaticContact CD1-CZ 3.81Å; F462-F464 HydrophobicContact CD1-CZ 3.81Å; F462-F464 HydrophobicContact CG-CE2 4.28Å; F462-F464 HydrophobicContact CG-CZ 4.09Å; F464-T469 HydrophobicContact CD1-CG2 4.33Å; F464-L470 HydrophobicContact CB-CD1 3.97Å; F464-L470 HydrophobicContact CB-CD2 4.23Å; F464-L470 HydrophobicContact CB-CG 4.09Å; F464-L470 HydrophobicContact CD1-CD2 4.33Å; F464-L470 HydrophobicContact CG-CD2 4.31Å; F464-I689 HydrophobicContact CD2-CD1 4.05Å; F464-I689 HydrophobicContact CE2-CD1 3.68Å; F464-I689 HydrophobicContact CZ-CD1 4.04Å; F464-L692 HydrophobicContact CE2-CD1 3.96Å; F464-L692 HydrophobicContact CZ-CD1 3.59Å; F464-V700 PolarHBondContact N-O 2.96Å; F464-M701 WeakPolarHBondContact O-CA 3.45Å; F464-I702 PolarHBondContact O-N 2.72Å; F464-M719 HydrophobicContact CB-CE 4.35Å; F464-M719 HydrophobicContact CD2-CE 3.71Å; F464-M719 HydrophobicContact CE2-CE 4.5Å; F464-M719 HydrophobicContact CG-CE 4.38Å; F464-C829 HydrophobicContact CD1-CB 3.82Å; F464-C829 HydrophobicContact CE1-CB 4.05Å; F464-I866 HydrophobicContact CD1-CG2 4.02Å; F464-I866 HydrophobicContact CE1-CB 4.15Å; F464-I866 HydrophobicContact CE1-CD1 4.2Å; F464-I866 HydrophobicContact CE1-CG2 4.05Å; F464-V869 HydrophobicContact CE1-CG2 4.04Å; F464-V869 HydrophobicContact CZ-CG1 4.29Å |
| 465 | D | 92.3 | Very high | 87.1 | Confident | 10 Ų | 10 | 16.5 Ų | 16.5 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 158.8 | 160 | -164.7 | 68.6 | 0 | 0 | 0 | 110.8 | T467 T469 L470 I702 K812 M828 C829 D835 | D465-T467 PolarHBondContact OD2-N 2.89Å; D465-T469 VanDerWaalsContact O-CB 3.31Å; D465-T469 WeakPolarHBondContact O-CB 3.27Å; D465-T469 WeakPolarHBondContact O-CG2 3.49Å; D465-L470 VanDerWaalsContact O-CG 3.29Å; D465-L470 WeakPolarHBondContact O-CG 3.46Å; D465-I702 WeakPolarHBondContact CA-O 3.29Å; D465-K812 IonicContact OD1-NZ 2.86Å; D465-K812 PolarHBondContact OD1-NZ 2.86Å; D465-M828 HydrophobicContact CB-CE 4.37Å; D465-C829 PolarHBondContact N-O 3Å; D465-D835 WeakPolarHBondContact CB-OD2 3.44Å |
| 466 | K | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -92 | -55.1 | -178 | -169.4 | -125.9 | 74.6 | 167.9 | 0 | 111.9 | L470 T471 N679 M701 T703 D705 V713 | K466-L470 PolarHBondContact O-N 3.36Å; K466-L470 VanDerWaalsContact O-N 3.07Å; K466-T471 HydrophobicContact CD-CG2 4.38Å; K466-T471 HydrophobicContact CG-CG2 4.3Å; K466-T471 PolarHBondContact O-N 3Å; K466-T471 PolarHBondContact O-OG1 2.85Å; K466-N679 VanDerWaalsContact NZ-CG 3.26Å; K466-N679 PolarHBondContact NZ-ND2 3.3Å; K466-M701 HydrophobicContact CB-CG 4.36Å; K466-M701 HydrophobicContact CB-SD 4.24Å; K466-M701 HydrophobicContact CG-CE 4.33Å; K466-M701 HydrophobicContact CG-SD 4.06Å; K466-T703 HydrophobicContact CB-CG2 4.34Å; K466-T703 WeakPolarHBondContact CB-OG1 3.47Å; K466-D705 WeakPolarHBondContact CD-OD2 3.48Å; K466-D705 WeakPolarHBondContact CE-OD2 3.43Å; K466-D705 IonicContact NZ-OD2 3.16Å; K466-D705 PolarHBondContact NZ-OD2 2.96Å; K466-V713 HydrophobicContact CD-CG2 4.32Å; K466-V713 HydrophobicContact CG-CB 4.47Å; K466-V713 HydrophobicContact CG-CG1 4.04Å |
| 467 | T | 81.9 | Confident | 86.5 | Confident | 43 Ų | 43 | 21.5 Ų | 21.5 | 26% | 0.264 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 132.2 | -170.1 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | D465 T469 | D465-T467 PolarHBondContact OD2-N 2.89Å; T467-T469 PolarHBondContact O-N 3.36Å |
| 468 | G | 80.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | -20.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | T471 E473 K682 D831 | G468-T471 CarbonylContact C-O 3.52Å; G468-T471 VanDerWaalsContact C-O 3.31Å; G468-T471 WeakPolarHBondContact CA-O 3.43Å; G468-T471 PolarHBondContact N-O 3.34Å; G468-T471 VanDerWaalsContact N-O 3.16Å; G468-E473 VanDerWaalsContact CA-CG 3.47Å; G468-K682 PolarHBondContact O-NZ 3.12Å; G468-D831 VanDerWaalsContact C-CG 3.45Å; G468-D831 WeakPolarHBondContact CA-OD2 3.3Å |
| 469 | T | 87.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -64.1 | 170.4 | -68.3 | 0 | 0 | 0 | 0 | 113.4 | F464 D465 T467 C829 G830 D831 L848 I866 | F464-T469 HydrophobicContact CD1-CG2 4.33Å; D465-T469 VanDerWaalsContact O-CB 3.31Å; D465-T469 WeakPolarHBondContact O-CB 3.27Å; D465-T469 WeakPolarHBondContact O-CG2 3.49Å; T467-T469 PolarHBondContact O-N 3.36Å; T469-C829 HydrophobicContact CG2-CB 4.49Å; T469-G830 VanDerWaalsContact OG1-CA 3.32Å; T469-G830 WeakPolarHBondContact OG1-CA 3.07Å; T469-D831 PolarHBondContact N-OD1 3.06Å; T469-D831 PolarHBondContact OG1-N 3.32Å; T469-D831 PolarHBondContact OG1-OD1 2.99Å; T469-L848 HydrophobicContact CG2-CD1 4.01Å; T469-I866 HydrophobicContact CG2-CG2 3.77Å |
| 470 | L | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -34.9 | -179.9 | -69.1 | 173.6 | 0 | 0 | 0 | 112.4 | F464 D465 K466 K682 S685 M701 M719 I866 | F464-L470 HydrophobicContact CB-CD1 3.97Å; F464-L470 HydrophobicContact CB-CD2 4.23Å; F464-L470 HydrophobicContact CB-CG 4.09Å; F464-L470 HydrophobicContact CD1-CD2 4.33Å; F464-L470 HydrophobicContact CG-CD2 4.31Å; D465-L470 VanDerWaalsContact O-CG 3.29Å; D465-L470 WeakPolarHBondContact O-CG 3.46Å; K466-L470 PolarHBondContact O-N 3.36Å; K466-L470 VanDerWaalsContact O-N 3.07Å; L470-K682 PolarHBondContact O-N 2.89Å; L470-S685 PolarHBondContact O-OG 3.46Å; L470-M701 HydrophobicContact CD1-CE 3.66Å; L470-M701 HydrophobicContact CD1-CG 4.39Å; L470-M719 HydrophobicContact CD1-CE 4.35Å; L470-M719 HydrophobicContact CD1-SD 4.01Å; L470-I866 HydrophobicContact CD2-CD1 3.83Å; L470-I866 HydrophobicContact CD2-CG2 4.47Å |
| 471 | T | 87.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -104.7 | 165.4 | 174.5 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | K466 G468 N679 L680 V681 K682 V713 | K466-T471 HydrophobicContact CD-CG2 4.38Å; K466-T471 HydrophobicContact CG-CG2 4.3Å; K466-T471 PolarHBondContact O-N 3Å; K466-T471 PolarHBondContact O-OG1 2.85Å; G468-T471 CarbonylContact C-O 3.52Å; G468-T471 VanDerWaalsContact C-O 3.31Å; G468-T471 WeakPolarHBondContact CA-O 3.43Å; G468-T471 PolarHBondContact N-O 3.34Å; G468-T471 VanDerWaalsContact N-O 3.16Å; T471-N679 HydrophobicContact CG2-CB 4.06Å; T471-N679 PolarHBondContact OG1-ND2 3.03Å; T471-L680 CarbonylContact C-O 3.56Å; T471-L680 WeakPolarHBondContact CA-O 3.31Å; T471-L680 WeakPolarHBondContact CB-O 3.26Å; T471-V681 HydrophobicContact CG2-CG2 4.32Å; T471-K682 VanDerWaalsContact O-CE 3.29Å; T471-K682 WeakPolarHBondContact O-CE 3.45Å; T471-V713 HydrophobicContact CG2-CG1 4.06Å; T471-V713 HydrophobicContact CG2-CG2 4.4Å |
| 472 | E | 83.6 | Confident | 86.1 | Confident | 83 Ų | 83 | 28.8 Ų | 28.8 | 39% | 0.388 | 15% | 0.148 | S | C | . | . | trans | -62.6 | 157.8 | 166.5 | -63 | 177.7 | -179 | 0 | 0 | 110.6 | G474 L680 K682 | E472-G474 VanDerWaalsContact C-N 3.28Å; E472-L680 PolarHBondContact N-O 3.38Å; E472-K682 HydrophobicContact CG-CG 4.03Å | ||
| 473 | E | 66 | Low | 85.6 | Confident | 116 Ų | 116 | 30 Ų | 30 | 54% | 0.542 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -72.7 | -22.5 | 179.1 | -72 | -177 | -178 | 0 | 0 | 112.2 | G468 | G468-E473 VanDerWaalsContact CA-CG 3.47Š|
| 474 | G | 67.7 | Low | 84.8 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 37% | 0.371 | 17% | 0.173 | S | C | . | . | trans | -83.1 | 160.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E472 | E472-G474 VanDerWaalsContact C-N 3.28Š| ||
| 475 | L | 76.5 | Confident | 83.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | trans | -121.8 | 122.7 | 171 | -81.2 | 148.6 | 0 | 0 | 0 | 108.3 | L525 K528 R642 M677 N679 | L475-L525 HydrophobicContact CD1-CB 3.98Å; L475-L525 HydrophobicContact CD1-CD1 3.72Å; L475-L525 HydrophobicContact CD1-CG 4.04Å; L475-K528 WeakPolarHBondContact O-CG 3.29Å; L475-R642 HydrophobicContact CD2-CB 4.18Å; L475-M677 HydrophobicContact CB-CB 4.36Å; L475-M677 HydrophobicContact CB-CE 3.67Å; L475-M677 HydrophobicContact CB-SD 4.35Å; L475-M677 HydrophobicContact CD2-CB 3.78Å; L475-N679 WeakPolarHBondContact CD2-OD1 3.32Å | ||
| 476 | D | 82.3 | Confident | 82.7 | Confident | 76 Ų | 76 | 43.4 Ų | 43.4 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 140.2 | 172.3 | -71.1 | -45.2 | 0 | 0 | 0 | 110.5 | W478 M677 K678 | D476-W478 PolarHBondContact O-N 2.92Å; D476-M677 CarbonylContact O-C 3.56Å; D476-M677 WeakPolarHBondContact O-CA 3.26Å; D476-M677 WeakPolarHBondContact O-CB 3.5Å; D476-K678 PolarHBondContact N-O 3.28Å; D476-K678 PolarHBondContact O-N 3.48Å |
| 477 | V | 86.9 | Confident | 82.4 | Confident | 33 Ų | 33 | 44 Ų | 44 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 119.7 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | P495 L675 M677 | V477-P495 HydrophobicContact CG1-CG 3.87Å; V477-L675 HydrophobicContact CG1-CD1 3.94Å; V477-M677 HydrophobicContact CG2-CE 4.1Å |
| 478 | W | 88.1 | Confident | 82.6 | Confident | 121 Ų | 121 | 43.6 Ų | 43.6 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -35.3 | 175.9 | -176.9 | -104.2 | 0 | 0 | 0 | 111.5 | D476 L641 M676 K678 | D476-W478 PolarHBondContact O-N 2.92Å; W478-L641 HydrophobicContact CB-CD2 3.93Å; W478-L641 HydrophobicContact CD2-CD2 4.11Å; W478-L641 HydrophobicContact CG-CD1 4.21Å; W478-L641 HydrophobicContact CG-CD2 3.68Å; W478-M676 HydrophobicContact CB-CB 4.11Å; W478-M676 WeakPolarHBondContact CB-O 3.37Å; W478-M676 PolarHBondContact N-O 2.94Å; W478-K678 HydrophobicContact CE3-CD 4.33Å |
| 479 | G | 90.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -177.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V492 M676 | G479-V492 CarbonylContact C-O 3.44Å; G479-V492 WeakPolarHBondContact CA-O 3.48Å; G479-M676 PolarHBondContact N-O 2.94Å; G479-M676 WeakPolarHBondContact O-CE 3.46Å; G479-M676 PolarHBondContact O-N 3.34Å |
| 480 | V | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.3 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 110 | V492 P495 L498 M503 L507 L674 L675 | V480-V492 PolarHBondContact N-O 3.1Å; V480-V492 PolarHBondContact O-N 2.96Å; V480-P495 HydrophobicContact CG2-CB 4.5Å; V480-P495 HydrophobicContact CG2-CG 4.08Å; V480-L498 HydrophobicContact CB-CD1 4.3Å; V480-L498 HydrophobicContact CG1-CD1 4.17Å; V480-L498 HydrophobicContact CG1-CD2 4.44Å; V480-L498 HydrophobicContact CG2-CD1 4.29Å; V480-M503 HydrophobicContact CG1-CE 3.21Å; V480-M503 HydrophobicContact CG1-CG 4.15Å; V480-L507 HydrophobicContact CG2-CD1 3.94Å; V480-L674 WeakPolarHBondContact CA-O 3.48Å; V480-L675 HydrophobicContact CG2-CD1 3.73Å |
| 481 | L | 90.9 | Very high | 82.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.1 | 170.1 | -73.1 | 166.6 | 0 | 0 | 0 | 108.7 | F488 S489 L491 T632 G673 L674 M676 | L481-F488 HydrophobicContact CB-CD1 3.98Å; L481-S489 WeakPolarHBondContact CD2-O 3.37Å; L481-L491 HydrophobicContact CD2-CB 4.06Å; L481-L491 HydrophobicContact CD2-CD1 4.31Å; L481-L491 HydrophobicContact CG-CD1 4.12Å; L481-T632 HydrophobicContact CD1-CG2 4.02Å; L481-G673 CarbonylContact O-C 3.57Å; L481-G673 WeakPolarHBondContact O-CA 3.33Å; L481-L674 HydrophobicContact CB-CB 4.4Å; L481-L674 PolarHBondContact N-O 3.27Å; L481-L674 PolarHBondContact O-N 3.38Å; L481-M676 HydrophobicContact CB-CE 3.98Å; L481-M676 HydrophobicContact CD1-CE 3.63Å; L481-M676 HydrophobicContact CD1-SD 3.85Å; L481-M676 HydrophobicContact CG-CE 3.45Å; L481-M676 VanDerWaalsContact CG-CE 3.45Å; L481-M676 HydrophobicContact CG-SD 4.26Å |
| 482 | E | 89.2 | Confident | 82.5 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 145.9 | 177.5 | -164.8 | 170 | -152.6 | 0 | 0 | 110.4 | F488 S489 M503 | E482-F488 CarbonylContact O-C 3.52Å; E482-F488 WeakPolarHBondContact O-CA 3.45Å; E482-S489 PolarHBondContact N-OG 2.54Å; E482-S489 PolarHBondContact O-N 3.11Å; E482-S489 PolarHBondContact O-OG 3.12Å; E482-M503 HydrophobicContact CG-CB 4.45Å |
| 483 | S | 85.8 | Confident | 82.6 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.5 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | T624 P626 L672 | S483-T624 PolarHBondContact OG-O 3.06Å; S483-P626 WeakPolarHBondContact OG-CD 3.46Å; S483-P626 VanDerWaalsContact OG-CG 3.26Å; S483-P626 WeakPolarHBondContact OG-CG 3.26Å; S483-L672 VanDerWaalsContact CB-O 3.29Å; S483-L672 WeakPolarHBondContact CB-O 3.28Å; S483-L672 PolarHBondContact N-O 3.43Å |
| 484 | G | 79.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 171.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A486 G487 | G484-A486 PolarHBondContact O-N 2.8Å; G484-G487 WeakPolarHBondContact CA-O 3.43Å; G484-G487 PolarHBondContact N-O 3.07Å; G484-G487 PolarHBondContact O-N 2.89Å |
| 485 | P | 69.9 | Low | 84.3 | Confident | 154 Ų | 154 | 55.8 Ų | 55.8 | 100% | 1 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.6 | -179.5 | 22.6 | -31.9 | 0 | 0 | 0 | 114.1 | ||
| 486 | A | 72.5 | Confident | 84.5 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 86% | 0.86 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 2.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G484 | G484-A486 PolarHBondContact O-N 2.8Š|
| 487 | G | 82.9 | Confident | 84.5 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 12% | 0.124 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 118.5 | -157.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G484 | G484-G487 WeakPolarHBondContact CA-O 3.43Å; G484-G487 PolarHBondContact N-O 3.07Å; G484-G487 PolarHBondContact O-N 2.89Å |
| 488 | F | 85.6 | Confident | 84.3 | Confident | 35 Ų | 35 | 59 Ų | 59 | 15% | 0.154 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 141.1 | 176.4 | -70.5 | -74.3 | 0 | 0 | 0 | 111.8 | L481 E482 P626 F629 T632 F671 L674 | L481-F488 HydrophobicContact CB-CD1 3.98Å; E482-F488 CarbonylContact O-C 3.52Å; E482-F488 WeakPolarHBondContact O-CA 3.45Å; F488-P626 HydrophobicContact CD1-CG 4.48Å; F488-P626 HydrophobicContact CD2-CB 4.19Å; F488-P626 HydrophobicContact CD2-CG 4.27Å; F488-P626 HydrophobicContact CE1-CG 4.24Å; F488-P626 HydrophobicContact CE2-CB 3.95Å; F488-P626 HydrophobicContact CE2-CG 4.01Å; F488-P626 HydrophobicContact CZ-CB 4.39Å; F488-P626 HydrophobicContact CZ-CG 3.99Å; F488-F629 HydrophobicContact CZ-CD2 4.12Å; F488-T632 HydrophobicContact CD2-CG2 4.21Å; F488-T632 HydrophobicContact CE2-CG2 4.27Å; F488-F671 AromaticContact CE1-CE1 3.97Å; F488-F671 HydrophobicContact CE1-CE1 3.97Å; F488-F671 HydrophobicContact CZ-CE1 4.22Å; F488-L674 HydrophobicContact CE1-CD1 3.91Å; F488-L674 HydrophobicContact CE1-CG 3.93Å; F488-L674 HydrophobicContact CZ-CD1 3.79Å; F488-L674 HydrophobicContact CZ-CG 4.19Å |
| 489 | S | 83.5 | Confident | 83.9 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 173.1 | 169.9 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | L481 E482 | L481-S489 WeakPolarHBondContact CD2-O 3.37Å; E482-S489 PolarHBondContact N-OG 2.54Å; E482-S489 PolarHBondContact O-N 3.11Å; E482-S489 PolarHBondContact O-OG 3.12Å |
| 490 | E | 84.9 | Confident | 83.1 | Confident | 179 Ų | 179 | 60.2 Ų | 60.2 | 84% | 0.836 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 150.5 | 165.9 | -72.1 | -170.7 | 163.8 | 0 | 0 | 111.1 | V492 | E490-V492 PolarHBondContact O-N 2.68Š|
| 491 | L | 86.9 | Confident | 82.7 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 120.4 | 177.4 | 177.9 | 69.3 | 0 | 0 | 0 | 109.6 | L481 P493 M676 | L481-L491 HydrophobicContact CD2-CB 4.06Å; L481-L491 HydrophobicContact CD2-CD1 4.31Å; L481-L491 HydrophobicContact CG-CD1 4.12Å; L491-P493 WeakPolarHBondContact O-CD 3.28Å; L491-M676 HydrophobicContact CD1-CE 3.39Å; L491-M676 HydrophobicContact CD1-SD 3.74Å |
| 492 | V | 88.3 | Confident | 82.5 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 109.7 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | G479 V480 E490 D494 L497 L498 | G479-V492 CarbonylContact C-O 3.44Å; G479-V492 WeakPolarHBondContact CA-O 3.48Å; V480-V492 PolarHBondContact N-O 3.1Å; V480-V492 PolarHBondContact O-N 2.96Å; E490-V492 PolarHBondContact O-N 2.68Å; V492-D494 VanDerWaalsContact CG1-O 3.31Å; V492-D494 WeakPolarHBondContact CG1-O 3.4Å; V492-L497 HydrophobicContact CG1-CB 4.22Å; V492-L498 HydrophobicContact CB-CD2 4.12Å; V492-L498 HydrophobicContact CG1-CD2 4.17Å; V492-L498 HydrophobicContact CG1-CG 4.28Å; V492-L498 HydrophobicContact CG2-CD2 4.02Å |
| 493 | P | 86 | Confident | 82.5 | Confident | 87 Ų | 87 | 61.3 Ų | 61.3 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -70.5 | -35.6 | -175.8 | -18.8 | 32.7 | 0 | 0 | 0 | 113.2 | L491 | L491-P493 WeakPolarHBondContact O-CD 3.28Š|
| 494 | D | 84.8 | Confident | 82.6 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | trans | -109.6 | 110.9 | -178.6 | -176.7 | -12.5 | 0 | 0 | 0 | 110.4 | V492 T496 L497 | V492-D494 VanDerWaalsContact CG1-O 3.31Å; V492-D494 WeakPolarHBondContact CG1-O 3.4Å; D494-T496 PolarHBondContact O-N 2.82Å; D494-T496 VanDerWaalsContact O-N 3.08Å; D494-T496 WeakPolarHBondContact OD1-CB 3.33Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.34Å; D494-T496 PolarHBondContact OD1-N 3.19Å; D494-T496 PolarHBondContact OD1-OG1 3.29Å; D494-T496 PolarHBondContact OD2-OG1 2.84Å; D494-T496 VanDerWaalsContact OD2-OG1 3.04Å; D494-L497 HydrophobicContact CB-CD1 3.99Å; D494-L497 HydrophobicContact CB-CG 4.13Å; D494-L497 WeakPolarHBondContact O-CB 3.49Å; D494-L497 PolarHBondContact O-N 3.03Å | ||
| 495 | P | 84 | Confident | 83.1 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -61.6 | -15.3 | -179.6 | -24.5 | 36.5 | 0 | 0 | 0 | 114.7 | V477 V480 L497 L498 L507 | V477-P495 HydrophobicContact CG1-CG 3.87Å; V480-P495 HydrophobicContact CG2-CB 4.5Å; V480-P495 HydrophobicContact CG2-CG 4.08Å; P495-L497 PolarHBondContact O-N 3.04Å; P495-L498 HydrophobicContact CB-CD1 4.09Å; P495-L498 WeakPolarHBondContact O-CB 3.44Å; P495-L498 PolarHBondContact O-N 2.81Å; P495-L507 HydrophobicContact CB-CD1 4.27Å |
| 496 | T | 82.1 | Confident | 84 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -69.1 | -23.3 | 173.6 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | D494 L498 R504 S532 | D494-T496 PolarHBondContact O-N 2.82Å; D494-T496 VanDerWaalsContact O-N 3.08Å; D494-T496 WeakPolarHBondContact OD1-CB 3.33Å; D494-T496 WeakPolarHBondContact OD1-CG2 3.34Å; D494-T496 PolarHBondContact OD1-N 3.19Å; D494-T496 PolarHBondContact OD1-OG1 3.29Å; D494-T496 PolarHBondContact OD2-OG1 2.84Å; D494-T496 VanDerWaalsContact OD2-OG1 3.04Å; T496-L498 VanDerWaalsContact C-N 3.3Å; T496-R504 PolarHBondContact O-NH1 2.8Å; T496-R504 PolarHBondContact O-NH2 2.83Å; T496-S532 VanDerWaalsContact CG2-O 3.31Å; T496-S532 WeakPolarHBondContact CG2-O 3.49Å |
| 497 | L | 82.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -82.4 | -6.2 | 177.8 | -59.6 | 175.8 | 0 | 0 | 0 | 113 | V492 D494 P495 | V492-L497 HydrophobicContact CG1-CB 4.22Å; D494-L497 HydrophobicContact CB-CD1 3.99Å; D494-L497 HydrophobicContact CB-CG 4.13Å; D494-L497 WeakPolarHBondContact O-CB 3.49Å; D494-L497 PolarHBondContact O-N 3.03Å; P495-L497 PolarHBondContact O-N 3.04Å |
| 498 | L | 82.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -65.1 | 139 | 175.7 | -72.1 | 168 | 0 | 0 | 0 | 111 | V480 V492 P495 T496 R504 L507 | V480-L498 HydrophobicContact CB-CD1 4.3Å; V480-L498 HydrophobicContact CG1-CD1 4.17Å; V480-L498 HydrophobicContact CG1-CD2 4.44Å; V480-L498 HydrophobicContact CG2-CD1 4.29Å; V492-L498 HydrophobicContact CB-CD2 4.12Å; V492-L498 HydrophobicContact CG1-CD2 4.17Å; V492-L498 HydrophobicContact CG1-CG 4.28Å; V492-L498 HydrophobicContact CG2-CD2 4.02Å; P495-L498 HydrophobicContact CB-CD1 4.09Å; P495-L498 WeakPolarHBondContact O-CB 3.44Å; P495-L498 PolarHBondContact O-N 2.81Å; T496-L498 VanDerWaalsContact C-N 3.3Å; L498-R504 HydrophobicContact CB-CB 4.49Å; L498-R504 PolarHBondContact O-NH1 3.27Å; L498-L507 HydrophobicContact CD1-CD1 3.83Å |
| 499 | P | 78.9 | Confident | 85.4 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | trans | -59.7 | 152.4 | 174.2 | 26.7 | -33.4 | 0 | 0 | 0 | 110.9 | G501 | P499-G501 PolarHBondContact O-N 2.91Å; P499-G501 VanDerWaalsContact O-N 3.12Å | ||
| 500 | P | 73.9 | Confident | 85.7 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -62.7 | 115.8 | 174.4 | 25.9 | -32 | 0 | 0 | 0 | 109.4 | ||
| 501 | G | 82.1 | Confident | 86 | Confident | 32 Ų | 32 | 36.1 Ų | 36.1 | 33% | 0.33 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -176.6 | -178.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P499 M503 R504 A505 | P499-G501 PolarHBondContact O-N 2.91Å; P499-G501 VanDerWaalsContact O-N 3.12Å; G501-M503 VanDerWaalsContact C-N 3.28Å; G501-M503 PolarHBondContact O-N 3.44Å; G501-R504 PolarHBondContact O-N 2.66Å; G501-A505 PolarHBondContact O-N 2.82Å; G501-A505 VanDerWaalsContact O-N 3.14Å |
| 502 | D | 88.1 | Confident | 85.9 | Confident | 63 Ų | 63 | 34.2 Ų | 34.2 | 34% | 0.337 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -33.2 | -173.3 | -68.5 | -14.5 | 0 | 0 | 0 | 113.1 | A505 A506 F608 L672 | D502-A505 PolarHBondContact O-N 3.44Å; D502-A506 VanDerWaalsContact O-CB 3.23Å; D502-A506 WeakPolarHBondContact O-CB 3.16Å; D502-A506 PolarHBondContact O-N 3.47Å; D502-F608 HydrophobicContact CB-CE1 4.37Å; D502-L672 HydrophobicContact CB-CD1 4.2Å; D502-L672 HydrophobicContact CB-CD2 3.73Å |
| 503 | M | 88.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.5 | -172.7 | 59 | 171.6 | 0 | 0 | 112.1 | V480 E482 G501 A506 L507 L646 L672 | V480-M503 HydrophobicContact CG1-CE 3.21Å; V480-M503 HydrophobicContact CG1-CG 4.15Å; E482-M503 HydrophobicContact CG-CB 4.45Å; G501-M503 VanDerWaalsContact C-N 3.28Å; G501-M503 PolarHBondContact O-N 3.44Å; M503-A506 PolarHBondContact O-N 3.29Å; M503-L507 WeakPolarHBondContact O-CG 3.19Å; M503-L507 PolarHBondContact O-N 3.43Å; M503-L646 HydrophobicContact CE-CB 4.47Å; M503-L646 HydrophobicContact CE-CD1 3.54Å; M503-L646 HydrophobicContact SD-CB 4.13Å; M503-L646 HydrophobicContact SD-CD1 4.07Å; M503-L672 HydrophobicContact SD-CB 3.79Å |
| 504 | R | 88.4 | Confident | 85.5 | Confident | 51 Ų | 51 | 29.6 Ų | 29.6 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.8 | -168.8 | 174.8 | -177.3 | 158.3 | 1.8 | 111.3 | T496 L498 G501 L507 A508 T533 | T496-R504 PolarHBondContact O-NH1 2.8Å; T496-R504 PolarHBondContact O-NH2 2.83Å; L498-R504 HydrophobicContact CB-CB 4.49Å; L498-R504 PolarHBondContact O-NH1 3.27Å; G501-R504 PolarHBondContact O-N 2.66Å; R504-L507 PolarHBondContact O-N 3.1Å; R504-A508 WeakPolarHBondContact O-CB 3.31Å; R504-A508 PolarHBondContact O-N 3.16Å; R504-T533 PolarHBondContact NH2-O 3.11Å |
| 505 | A | 88.3 | Confident | 85.3 | Confident | 12 Ų | 12 | 28 Ų | 28 | 10% | 0.099 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | G501 D502 A508 C509 F608 | G501-A505 PolarHBondContact O-N 2.82Å; G501-A505 VanDerWaalsContact O-N 3.14Å; D502-A505 PolarHBondContact O-N 3.44Å; A505-A508 PolarHBondContact O-N 2.95Å; A505-C509 VanDerWaalsContact O-CB 3.28Å; A505-C509 WeakPolarHBondContact O-CB 3.39Å; A505-C509 PolarHBondContact O-N 3.27Å; A505-C509 PolarHBondContact O-SG 3.18Å; A505-F608 HydrophobicContact CB-CE1 4.43Å; A505-F608 HydrophobicContact CB-CE2 4.3Å; A505-F608 HydrophobicContact CB-CZ 3.76Å |
| 506 | A | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D502 M503 A508 C509 C510 F608 L646 L672 | D502-A506 VanDerWaalsContact O-CB 3.23Å; D502-A506 WeakPolarHBondContact O-CB 3.16Å; D502-A506 PolarHBondContact O-N 3.47Å; M503-A506 PolarHBondContact O-N 3.29Å; A506-A508 VanDerWaalsContact C-N 3.29Å; A506-A508 PolarHBondContact O-N 2.75Å; A506-C509 PolarHBondContact O-N 2.82Å; A506-C510 WeakPolarHBondContact O-CB 3.3Å; A506-C510 PolarHBondContact O-N 3.44Å; A506-F608 HydrophobicContact CB-CB 4.35Å; A506-F608 HydrophobicContact CB-CD1 3.46Å; A506-F608 VanDerWaalsContact CB-CD1 3.46Å; A506-F608 HydrophobicContact CB-CE1 3.9Å; A506-F608 HydrophobicContact CB-CG 4.02Å; A506-L646 HydrophobicContact CB-CD2 3.76Å; A506-L672 HydrophobicContact CB-CD1 3.82Å |
| 507 | L | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 175 | -69.9 | 169.8 | 0 | 0 | 0 | 112 | V480 P495 L498 M503 R504 M529 T533 L646 L675 | V480-L507 HydrophobicContact CG2-CD1 3.94Å; P495-L507 HydrophobicContact CB-CD1 4.27Å; L498-L507 HydrophobicContact CD1-CD1 3.83Å; M503-L507 WeakPolarHBondContact O-CG 3.19Å; M503-L507 PolarHBondContact O-N 3.43Å; R504-L507 PolarHBondContact O-N 3.1Å; L507-M529 HydrophobicContact CB-CG 4.33Å; L507-M529 HydrophobicContact CD2-CG 3.76Å; L507-M529 HydrophobicContact CD2-SD 4.08Å; L507-M529 WeakPolarHBondContact O-CE 3.37Å; L507-T533 HydrophobicContact CB-CG2 3.56Å; L507-L646 HydrophobicContact CD2-CD1 3.75Å; L507-L646 HydrophobicContact CD2-CD2 4.26Å; L507-L646 HydrophobicContact CG-CD1 4.44Å; L507-L675 HydrophobicContact CD2-CB 4.37Å; L507-L675 HydrophobicContact CD2-CD1 4.05Å; L507-L675 HydrophobicContact CD2-CD2 3.9Å; L507-L675 HydrophobicContact CD2-CG 4.34Å |
| 508 | A | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.7 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R504 A505 A506 H511 T533 W535 M560 | R504-A508 WeakPolarHBondContact O-CB 3.31Å; R504-A508 PolarHBondContact O-N 3.16Å; A505-A508 PolarHBondContact O-N 2.95Å; A506-A508 VanDerWaalsContact C-N 3.29Å; A506-A508 PolarHBondContact O-N 2.75Å; A508-H511 PolarHBondContact O-CD2 3.19Å; A508-H511 PolarHBondContact O-NE2 3.48Å; A508-H511 VanDerWaalsContact O-NE2 3.16Å; A508-T533 HydrophobicContact CB-CG2 4.32Å; A508-W535 HydrophobicContact CB-CB 4.06Å; A508-W535 HydrophobicContact CB-CD2 3.67Å; A508-W535 HydrophobicContact CB-CE3 3.94Å; A508-W535 HydrophobicContact CB-CG 3.77Å; A508-M560 HydrophobicContact CB-CE 4.33Å; A508-M560 WeakPolarHBondContact O-CE 3.41Å |
| 509 | C | 89.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -101.4 | -25 | -167.2 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | A505 A506 H511 I580 T597 F608 | A505-C509 VanDerWaalsContact O-CB 3.28Å; A505-C509 WeakPolarHBondContact O-CB 3.39Å; A505-C509 PolarHBondContact O-N 3.27Å; A505-C509 PolarHBondContact O-SG 3.18Å; A506-C509 PolarHBondContact O-N 2.82Å; C509-H511 PolarHBondContact O-N 2.82Å; C509-I580 WeakPolarHBondContact O-CD1 3.25Å; C509-T597 HydrophobicContact CB-CG2 3.87Å; C509-F608 HydrophobicContact CB-CD2 4.33Å |
| 510 | C | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.5 | 65.3 | -173 | -161.8 | 0 | 0 | 0 | 0 | 112 | A506 M529 V595 F608 K610 | A506-C510 WeakPolarHBondContact O-CB 3.3Å; A506-C510 PolarHBondContact O-N 3.44Å; C510-M529 VanDerWaalsContact O-CE 3.29Å; C510-M529 WeakPolarHBondContact O-CE 3.41Å; C510-V595 HydrophobicContact CB-CG2 4.04Å; C510-F608 HydrophobicContact CB-CB 4.09Å; C510-K610 HydrophobicContact CB-CD 4.36Å; C510-K610 WeakPolarHBondContact O-CD 3.28Å; C510-K610 WeakPolarHBondContact O-CE 3.5Å; C510-K610 PolarHBondContact O-NZ 3.16Å |
| 511 | H | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -144.6 | 168.7 | 179.4 | 66.7 | 71.3 | 0 | 0 | 0 | 113.1 | A508 C509 V513 E526 M529 M560 | A508-H511 PolarHBondContact O-CD2 3.19Å; A508-H511 PolarHBondContact O-NE2 3.48Å; A508-H511 VanDerWaalsContact O-NE2 3.16Å; C509-H511 PolarHBondContact O-N 2.82Å; H511-V513 HydrophobicContact CB-CG2 4.13Å; H511-V513 WeakPolarHBondContact ND1-CB 3.27Å; H511-V513 PolarHBondContact ND1-N 2.93Å; H511-V513 VanDerWaalsContact ND1-N 3.11Å; H511-E526 HydrophobicContact CB-CB 3.98Å; H511-E526 HydrophobicContact CB-CG 4.41Å; H511-M529 HydrophobicContact CB-CE 4.39Å; H511-M560 WeakPolarHBondContact NE2-CE 3.02Å | ||
| 512 | T | 85.6 | Confident | 83.9 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | trans | -105.7 | 0.3 | 173.1 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | T514 E526 M593 | T512-T514 PolarHBondContact O-N 2.91Å; T512-E526 WeakPolarHBondContact CA-OE2 3.31Å; T512-E526 PolarHBondContact N-OE2 2.74Å; T512-E526 PolarHBondContact OG1-OE2 2.81Å; T512-M593 HydrophobicContact CG2-CE 3.85Å | ||
| 513 | V | 85.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -49 | 133.8 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | H511 P520 L521 E526 L527 M530 L537 R583 | H511-V513 HydrophobicContact CB-CG2 4.13Å; H511-V513 WeakPolarHBondContact ND1-CB 3.27Å; H511-V513 PolarHBondContact ND1-N 2.93Å; H511-V513 VanDerWaalsContact ND1-N 3.11Å; V513-P520 HydrophobicContact CG1-CB 3.77Å; V513-L521 WeakPolarHBondContact CA-O 3.08Å; V513-L521 WeakPolarHBondContact CG1-O 3.36Å; V513-E526 HydrophobicContact CG2-CB 3.88Å; V513-L527 HydrophobicContact CG1-CD2 3.68Å; V513-L527 HydrophobicContact CG2-CD2 3.94Å; V513-L527 HydrophobicContact CG2-CG 4.24Å; V513-M530 HydrophobicContact CG1-CE 4.26Å; V513-L537 HydrophobicContact CB-CD2 4.41Å; V513-L537 HydrophobicContact CG1-CD2 4.01Å; V513-L537 WeakPolarHBondContact O-CD2 3.06Å; V513-R583 PolarHBondContact O-NH2 2.99Å | ||
| 514 | T | 81.1 | Confident | 82.9 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 14% | 0.141 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 159.1 | 178 | 50 | 0 | 0 | 0 | 0 | 110.2 | T512 L521 E539 | T512-T514 PolarHBondContact O-N 2.91Å; T514-L521 PolarHBondContact N-O 3.3Å; T514-L521 PolarHBondContact O-N 3.39Å; T514-L521 PolarHBondContact OG1-O 2.55Å; T514-E539 WeakPolarHBondContact CA-OE1 3.17Å; T514-E539 VanDerWaalsContact CB-OE1 3.29Å; T514-E539 WeakPolarHBondContact CB-OE1 3.13Å |
| 515 | L | 79.8 | Confident | 82.6 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.8 | 176.1 | -83 | 145.4 | 0 | 0 | 0 | 111.1 | G518 E519 L537 E539 | L515-G518 VanDerWaalsContact CD2-O 3.25Å; L515-G518 WeakPolarHBondContact CD2-O 3.42Å; L515-E519 WeakPolarHBondContact CA-O 3.27Å; L515-L537 HydrophobicContact CD1-CB 4.02Å; L515-L537 HydrophobicContact CD1-CD2 3.95Å; L515-L537 HydrophobicContact CD1-CG 3.65Å; L515-L537 VanDerWaalsContact CD1-O 3.29Å; L515-L537 WeakPolarHBondContact CD1-O 3.47Å; L515-L537 HydrophobicContact CG-CD2 4.04Å; L515-L537 HydrophobicContact CG-CG 4.28Å; L515-E539 HydrophobicContact CB-CG 4.28Å; L515-E539 HydrophobicContact CD1-CB 4.49Å; L515-E539 HydrophobicContact CD1-CG 4.2Å; L515-E539 PolarHBondContact N-OE1 2.91Å |
| 516 | L | 73.6 | Confident | 82.5 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 28% | 0.277 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.6 | 169.5 | -169.9 | 74.2 | 0 | 0 | 0 | 108.3 | I331 G518 E519 L521 | I331-L516 HydrophobicContact CG2-CD1 3.92Å; I331-L516 HydrophobicContact CG2-CD2 4.01Å; L516-G518 PolarHBondContact O-N 2.75Å; L516-E519 PolarHBondContact N-O 3.05Å; L516-E519 PolarHBondContact O-N 2.82Å; L516-L521 HydrophobicContact CB-CD2 4.37Å; L516-L521 HydrophobicContact CD2-CD2 4.36Å |
| 517 | Q | 72.2 | Confident | 82.3 | Confident | 196 Ų | 196 | 40.2 Ų | 40.2 | 92% | 0.916 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 28.9 | -178.7 | -59.5 | -179 | -11.7 | 0 | 0 | 114.5 | ||
| 518 | G | 73.2 | Confident | 82.2 | Confident | 62 Ų | 62 | 44 Ų | 44 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -5.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | L515 L516 | L515-G518 VanDerWaalsContact CD2-O 3.25Å; L515-G518 WeakPolarHBondContact CD2-O 3.42Å; L516-G518 PolarHBondContact O-N 2.75Å |
| 519 | E | 79.9 | Confident | 82.2 | Confident | 149 Ų | 149 | 44 Ų | 44 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.8 | 173 | -66.7 | -166 | 160.8 | 0 | 0 | 111.5 | L515 L516 L521 | L515-E519 WeakPolarHBondContact CA-O 3.27Å; L516-E519 PolarHBondContact N-O 3.05Å; L516-E519 PolarHBondContact O-N 2.82Å; E519-L521 PolarHBondContact O-N 3.23Å |
| 520 | P | 81.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.1 | 176.1 | 29.7 | -32.9 | 0 | 0 | 0 | 110.1 | V513 L527 M530 | V513-P520 HydrophobicContact CG1-CB 3.77Å; P520-L527 HydrophobicContact CB-CD2 3.86Å; P520-L527 HydrophobicContact CG-CD2 4.33Å; P520-L527 WeakPolarHBondContact O-CD2 3.34Å; P520-M530 HydrophobicContact CB-CE 3.75Å; P520-M530 HydrophobicContact CG-CE 4.26Å |
| 521 | L | 80.4 | Confident | 82 | Confident | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128 | -177.6 | -171.2 | 82.5 | 0 | 0 | 0 | 109.7 | L289 P301 V513 T514 L516 E519 | L289-L521 HydrophobicContact CD2-CD2 3.87Å; P301-L521 HydrophobicContact CB-CD2 3.96Å; P301-L521 HydrophobicContact CG-CD1 4.29Å; P301-L521 HydrophobicContact CG-CD2 3.76Å; P301-L521 HydrophobicContact CG-CG 4.4Å; V513-L521 WeakPolarHBondContact CA-O 3.08Å; V513-L521 WeakPolarHBondContact CG1-O 3.36Å; T514-L521 PolarHBondContact N-O 3.3Å; T514-L521 PolarHBondContact O-N 3.39Å; T514-L521 PolarHBondContact OG1-O 2.55Å; L516-L521 HydrophobicContact CB-CD2 4.37Å; L516-L521 HydrophobicContact CD2-CD2 4.36Å; E519-L521 PolarHBondContact O-N 3.23Å |
| 522 | G | 76.4 | Confident | 81.9 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 174.4 | -170.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V300 L527 | V300-G522 WeakPolarHBondContact CG1-O 3.41Å; G522-L527 VanDerWaalsContact O-CD1 3.31Å; G522-L527 WeakPolarHBondContact O-CD1 3.45Å |
| 523 | D | 76.9 | Confident | 82 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | trans | -57.6 | 132.3 | 177.3 | 178.8 | -62 | 0 | 0 | 0 | 110.5 | L525 E526 L527 | D523-L525 PolarHBondContact O-N 3.13Å; D523-L525 VanDerWaalsContact O-N 3.15Å; D523-L525 WeakPolarHBondContact OD1-CA 3.31Å; D523-L525 WeakPolarHBondContact OD1-CB 3.47Å; D523-L525 PolarHBondContact OD1-N 2.9Å; D523-E526 HydrophobicContact CB-CB 4.41Å; D523-E526 HydrophobicContact CB-CG 3.93Å; D523-E526 WeakPolarHBondContact O-CA 3.13Å; D523-E526 WeakPolarHBondContact O-CB 3.32Å; D523-E526 PolarHBondContact O-N 2.83Å; D523-L527 PolarHBondContact O-N 3.29Å | ||
| 524 | P | 77.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 50 Ų | 50 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.7 | -33 | -176.5 | -27.3 | 35 | 0 | 0 | 0 | 114.2 | V300 E526 K528 | V300-P524 HydrophobicContact CG2-CG 4.11Å; P524-E526 VanDerWaalsContact C-N 3.34Å; P524-K528 WeakPolarHBondContact O-CB 3.13Å; P524-K528 WeakPolarHBondContact O-CG 3.43Å; P524-K528 PolarHBondContact O-N 2.88Å |
| 525 | L | 82.7 | Confident | 82.1 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.7 | -176.2 | 157 | 0 | 0 | 0 | 110.2 | L475 D523 K528 M529 L644 M677 | L475-L525 HydrophobicContact CD1-CB 3.98Å; L475-L525 HydrophobicContact CD1-CD1 3.72Å; L475-L525 HydrophobicContact CD1-CG 4.04Å; D523-L525 PolarHBondContact O-N 3.13Å; D523-L525 VanDerWaalsContact O-N 3.15Å; D523-L525 WeakPolarHBondContact OD1-CA 3.31Å; D523-L525 WeakPolarHBondContact OD1-CB 3.47Å; D523-L525 PolarHBondContact OD1-N 2.9Å; L525-K528 PolarHBondContact O-N 3.05Å; L525-M529 WeakPolarHBondContact O-CB 3.46Å; L525-M529 PolarHBondContact O-N 3.3Å; L525-L644 HydrophobicContact CD1-CD1 3.9Å; L525-L644 HydrophobicContact CD2-CD1 3.64Å; L525-L644 HydrophobicContact CG-CD1 4.31Å; L525-M677 HydrophobicContact CD1-SD 4.02Å; L525-M677 HydrophobicContact CD2-SD 4.18Å; L525-M677 HydrophobicContact CG-CE 4Å; L525-M677 HydrophobicContact CG-SD 3.65Å |
| 526 | E | 87 | Confident | 82.4 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -178.4 | -56.5 | -163.8 | 142.6 | 0 | 0 | 112.3 | H511 T512 V513 D523 P524 M529 M530 K610 | H511-E526 HydrophobicContact CB-CB 3.98Å; H511-E526 HydrophobicContact CB-CG 4.41Å; T512-E526 WeakPolarHBondContact CA-OE2 3.31Å; T512-E526 PolarHBondContact N-OE2 2.74Å; T512-E526 PolarHBondContact OG1-OE2 2.81Å; V513-E526 HydrophobicContact CG2-CB 3.88Å; D523-E526 HydrophobicContact CB-CB 4.41Å; D523-E526 HydrophobicContact CB-CG 3.93Å; D523-E526 WeakPolarHBondContact O-CA 3.13Å; D523-E526 WeakPolarHBondContact O-CB 3.32Å; D523-E526 PolarHBondContact O-N 2.83Å; P524-E526 VanDerWaalsContact C-N 3.34Å; E526-M529 PolarHBondContact O-N 3.1Å; E526-M530 WeakPolarHBondContact O-CB 3.45Å; E526-M530 PolarHBondContact O-N 2.95Å; E526-K610 VanDerWaalsContact CG-NZ 3.31Å; E526-K610 WeakPolarHBondContact OE1-CE 3.34Å; E526-K610 IonicContact OE1-NZ 3.74Å; E526-K610 PolarHBondContact OE1-NZ 3.13Å |
| 527 | L | 85.9 | Confident | 83 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 172.4 | -73.4 | 170.8 | 0 | 0 | 0 | 110.2 | V513 P520 G522 D523 M529 M530 E531 | V513-L527 HydrophobicContact CG1-CD2 3.68Å; V513-L527 HydrophobicContact CG2-CD2 3.94Å; V513-L527 HydrophobicContact CG2-CG 4.24Å; P520-L527 HydrophobicContact CB-CD2 3.86Å; P520-L527 HydrophobicContact CG-CD2 4.33Å; P520-L527 WeakPolarHBondContact O-CD2 3.34Å; G522-L527 VanDerWaalsContact O-CD1 3.31Å; G522-L527 WeakPolarHBondContact O-CD1 3.45Å; D523-L527 PolarHBondContact O-N 3.29Å; L527-M529 VanDerWaalsContact C-N 3.32Å; L527-M529 PolarHBondContact O-N 2.89Å; L527-M530 PolarHBondContact O-N 3.22Å; L527-E531 VanDerWaalsContact O-CB 3.31Å; L527-E531 WeakPolarHBondContact O-CB 3.35Å; L527-E531 VanDerWaalsContact O-CG 3.23Å; L527-E531 WeakPolarHBondContact O-CG 3.38Å; L527-E531 PolarHBondContact O-N 3.18Å |
| 528 | K | 86.9 | Confident | 83.6 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 178.1 | -74.2 | -77.1 | 165.7 | -135 | 0 | 112.8 | L475 P524 L525 E531 S532 M677 | L475-K528 WeakPolarHBondContact O-CG 3.29Å; P524-K528 WeakPolarHBondContact O-CB 3.13Å; P524-K528 WeakPolarHBondContact O-CG 3.43Å; P524-K528 PolarHBondContact O-N 2.88Å; L525-K528 PolarHBondContact O-N 3.05Å; K528-E531 IonicContact NZ-OE2 2.95Å; K528-E531 PolarHBondContact NZ-OE2 3.44Å; K528-S532 WeakPolarHBondContact O-CB 3.2Å; K528-S532 PolarHBondContact O-N 2.84Å; K528-S532 PolarHBondContact O-OG 2.86Å; K528-M677 HydrophobicContact CB-CE 4.25Å |
| 529 | M | 89.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.4 | -174 | -175.6 | 78.1 | 0 | 0 | 111.2 | L507 C510 H511 L525 E526 L527 S532 K610 L675 | L507-M529 HydrophobicContact CB-CG 4.33Å; L507-M529 HydrophobicContact CD2-CG 3.76Å; L507-M529 HydrophobicContact CD2-SD 4.08Å; L507-M529 WeakPolarHBondContact O-CE 3.37Å; C510-M529 VanDerWaalsContact O-CE 3.29Å; C510-M529 WeakPolarHBondContact O-CE 3.41Å; H511-M529 HydrophobicContact CB-CE 4.39Å; L525-M529 WeakPolarHBondContact O-CB 3.46Å; L525-M529 PolarHBondContact O-N 3.3Å; E526-M529 PolarHBondContact O-N 3.1Å; L527-M529 VanDerWaalsContact C-N 3.32Å; L527-M529 PolarHBondContact O-N 2.89Å; M529-S532 PolarHBondContact O-N 2.71Å; M529-S532 PolarHBondContact O-OG 2.87Å; M529-K610 HydrophobicContact CE-CD 4.19Å; M529-K610 HydrophobicContact SD-CD 4.1Å; M529-L675 HydrophobicContact CG-CD2 3.95Å; M529-L675 HydrophobicContact SD-CD2 4.09Å |
| 530 | M | 89 | Confident | 83.1 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 178.9 | -179 | -91.5 | -74.2 | 0 | 0 | 111.8 | V513 P520 E526 L527 S532 T533 M560 | V513-M530 HydrophobicContact CG1-CE 4.26Å; P520-M530 HydrophobicContact CB-CE 3.75Å; P520-M530 HydrophobicContact CG-CE 4.26Å; E526-M530 WeakPolarHBondContact O-CB 3.45Å; E526-M530 PolarHBondContact O-N 2.95Å; L527-M530 PolarHBondContact O-N 3.22Å; M530-S532 VanDerWaalsContact C-N 3.25Å; M530-S532 PolarHBondContact O-N 2.96Å; M530-T533 PolarHBondContact O-N 3.12Å; M530-T533 PolarHBondContact O-OG1 2.66Å; M530-M560 HydrophobicContact CG-CE 3.58Å; M530-M560 HydrophobicContact SD-CE 4.48Å |
| 531 | E | 87.9 | Confident | 81.9 | Confident | 96 Ų | 96 | 44.2 Ų | 44.2 | 45% | 0.449 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.4 | -41.4 | 176.7 | -75.2 | 172.7 | -179.5 | 0 | 0 | 111.8 | L527 K528 T533 G534 | L527-E531 VanDerWaalsContact O-CB 3.31Å; L527-E531 WeakPolarHBondContact O-CB 3.35Å; L527-E531 VanDerWaalsContact O-CG 3.23Å; L527-E531 WeakPolarHBondContact O-CG 3.38Å; L527-E531 PolarHBondContact O-N 3.18Å; K528-E531 IonicContact NZ-OE2 2.95Å; K528-E531 PolarHBondContact NZ-OE2 3.44Å; E531-T533 PolarHBondContact O-N 2.67Å; E531-T533 VanDerWaalsContact O-N 3.16Å; E531-G534 PolarHBondContact O-N 3.44Å; E531-G534 VanDerWaalsContact O-N 3.08Å |
| 532 | S | 87.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -20.3 | -179.6 | 75.1 | 0 | 0 | 0 | 0 | 114 | T496 K528 M529 M530 | T496-S532 VanDerWaalsContact CG2-O 3.31Å; T496-S532 WeakPolarHBondContact CG2-O 3.49Å; K528-S532 WeakPolarHBondContact O-CB 3.2Å; K528-S532 PolarHBondContact O-N 2.84Å; K528-S532 PolarHBondContact O-OG 2.86Å; M529-S532 PolarHBondContact O-N 2.71Å; M529-S532 PolarHBondContact O-OG 2.87Å; M530-S532 VanDerWaalsContact C-N 3.25Å; M530-S532 PolarHBondContact O-N 2.96Å |
| 533 | T | 86.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -85.6 | -19.3 | 176.9 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | R504 L507 A508 M530 E531 W535 | R504-T533 PolarHBondContact NH2-O 3.11Å; L507-T533 HydrophobicContact CB-CG2 3.56Å; A508-T533 HydrophobicContact CB-CG2 4.32Å; M530-T533 PolarHBondContact O-N 3.12Å; M530-T533 PolarHBondContact O-OG1 2.66Å; E531-T533 PolarHBondContact O-N 2.67Å; E531-T533 VanDerWaalsContact O-N 3.16Å; T533-W535 VanDerWaalsContact C-N 3.27Å; T533-W535 PolarHBondContact O-N 2.8Å; T533-W535 PolarHBondContact OG1-N 2.85Å |
| 534 | G | 83.1 | Confident | 78.5 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 12.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E531 S563 | E531-G534 PolarHBondContact O-N 3.44Å; E531-G534 VanDerWaalsContact O-N 3.08Å; G534-S563 WeakPolarHBondContact O-CB 3.24Å |
| 535 | W | 86.7 | Confident | 77.5 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | trans | -80.9 | 152 | 175.5 | -74 | 48.8 | 0 | 0 | 0 | 111 | A508 T533 M560 R561 P562 S575 V578 | A508-W535 HydrophobicContact CB-CB 4.06Å; A508-W535 HydrophobicContact CB-CD2 3.67Å; A508-W535 HydrophobicContact CB-CE3 3.94Å; A508-W535 HydrophobicContact CB-CG 3.77Å; T533-W535 VanDerWaalsContact C-N 3.27Å; T533-W535 PolarHBondContact O-N 2.8Å; T533-W535 PolarHBondContact OG1-N 2.85Å; W535-M560 HydrophobicContact CB-CE 4.22Å; W535-M560 HydrophobicContact CE3-CB 3.75Å; W535-M560 HydrophobicContact CZ3-CB 4.08Å; W535-R561 CarbonylContact C-O 3.44Å; W535-R561 WeakPolarHBondContact CA-O 3.48Å; W535-P562 HydrophobicContact CD2-CB 4.16Å; W535-P562 HydrophobicContact CZ2-CB 4.22Å; W535-S575 WeakPolarHBondContact CH2-OG 3.47Å; W535-S575 WeakPolarHBondContact CZ2-OG 3.46Å; W535-V578 HydrophobicContact CH2-CG2 4.34Å; W535-V578 HydrophobicContact CZ3-CG2 4.28Å | ||
| 536 | T | 86 | Confident | 76.3 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.5 | 177.6 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | R561 | T536-R561 PolarHBondContact N-O 2.88Å; T536-R561 PolarHBondContact O-N 3.46Å |
| 537 | L | 85.6 | Confident | 75 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.2 | 173.3 | -177.8 | 67.6 | 0 | 0 | 0 | 109.3 | V513 L515 A558 M560 | V513-L537 HydrophobicContact CB-CD2 4.41Å; V513-L537 HydrophobicContact CG1-CD2 4.01Å; V513-L537 WeakPolarHBondContact O-CD2 3.06Å; L515-L537 HydrophobicContact CD1-CB 4.02Å; L515-L537 HydrophobicContact CD1-CD2 3.95Å; L515-L537 HydrophobicContact CD1-CG 3.65Å; L515-L537 VanDerWaalsContact CD1-O 3.29Å; L515-L537 WeakPolarHBondContact CD1-O 3.47Å; L515-L537 HydrophobicContact CG-CD2 4.04Å; L515-L537 HydrophobicContact CG-CG 4.28Å; L537-A558 HydrophobicContact CD1-CB 3.56Å; L537-M560 HydrophobicContact CB-SD 3.75Å; L537-M560 HydrophobicContact CD1-CG 4.43Å; L537-M560 HydrophobicContact CD1-SD 3.33Å; L537-M560 WeakPolarHBondContact CD1-SD 3.05Å; L537-M560 HydrophobicContact CG-SD 4.14Å |
| 538 | L | 83.7 | Confident | 74.2 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 128 | 170.2 | -66.3 | 170.6 | 0 | 0 | 0 | 109.1 | V559 R561 | L538-V559 PolarHBondContact N-O 2.8Å; L538-V559 PolarHBondContact O-N 2.91Å; L538-R561 HydrophobicContact CD1-CG 4.17Å; L538-R561 VanDerWaalsContact CD1-CZ 3.5Å |
| 539 | E | 75.3 | Confident | 73 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 23% | 0.229 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 139.6 | 170.8 | -75.2 | -175.1 | -168.6 | 0 | 0 | 110.1 | K334 T514 L515 E541 A558 | K334-E539 IonicContact NZ-OE2 2.8Å; T514-E539 WeakPolarHBondContact CA-OE1 3.17Å; T514-E539 VanDerWaalsContact CB-OE1 3.29Å; T514-E539 WeakPolarHBondContact CB-OE1 3.13Å; L515-E539 HydrophobicContact CB-CG 4.28Å; L515-E539 HydrophobicContact CD1-CB 4.49Å; L515-E539 HydrophobicContact CD1-CG 4.2Å; L515-E539 PolarHBondContact N-OE1 2.91Å; E539-E541 PolarHBondContact O-N 2.98Å; E539-A558 HydrophobicContact CG-CB 4.39Å |
| 540 | P | 67.7 | Low | 72.1 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 125.5 | 175.8 | 25 | -30.2 | 0 | 0 | 0 | 110.7 | A547 | P540-A547 HydrophobicContact CB-CB 3.98Š|
| 541 | E | 56.3 | Low | 71.5 | Confident | 194 Ų | 194 | 58.1 Ų | 58.1 | 91% | 0.907 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 128.8 | 174.6 | -64.1 | -175.6 | 168.5 | 0 | 0 | 110.7 | E539 | E539-E541 PolarHBondContact O-N 2.98Š|
| 542 | G | 58.4 | Low | 70.5 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 78% | 0.784 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -155.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | G544 | G542-G544 PolarHBondContact O-N 3.43Š|
| 543 | D | 50.3 | Low | 69.5 | Low | 151 Ų | 151 | 65 Ų | 65 | 81% | 0.807 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 4.5 | -176.8 | -109 | -14.1 | 0 | 0 | 0 | 114.4 | D545 | D543-D545 PolarHBondContact O-N 3.27Š|
| 544 | G | 54.7 | Low | 68.7 | Low | 9 Ų | 9 | 67 Ų | 67 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | trans | 69.5 | -2.2 | 165 | 0 | 0 | 0 | 0 | 0 | 116.7 | G542 A546 A547 H548 | G542-G544 PolarHBondContact O-N 3.43Å; G544-A546 VanDerWaalsContact C-N 3.26Å; G544-A546 PolarHBondContact O-N 2.72Å; G544-A546 VanDerWaalsContact O-N 3.08Å; G544-A547 WeakPolarHBondContact O-CA 3.49Å; G544-A547 PolarHBondContact O-N 2.9Å; G544-H548 PolarHBondContact O-CD2 3.31Å; G544-H548 VanDerWaalsContact O-CG 3.22Å; G544-H548 PolarHBondContact O-N 2.79Å | ||
| 545 | D | 56.1 | Low | 68.2 | Low | 124 Ų | 124 | 71.3 Ų | 71.3 | 66% | 0.663 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -51.7 | -37.2 | -172.6 | -82 | -25.2 | 0 | 0 | 0 | 114.9 | D543 S549 | D543-D545 PolarHBondContact O-N 3.27Å; D545-S549 WeakPolarHBondContact O-CB 3.24Å; D545-S549 PolarHBondContact O-N 3.35Å; D545-S549 PolarHBondContact O-OG 2.96Å |
| 546 | A | 57.8 | Low | 67.8 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 68% | 0.678 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -70.8 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | G544 S549 A550 | G544-A546 VanDerWaalsContact C-N 3.26Å; G544-A546 PolarHBondContact O-N 2.72Å; G544-A546 VanDerWaalsContact O-N 3.08Å; A546-S549 WeakPolarHBondContact CA-OG 3.42Å; A546-S549 PolarHBondContact O-OG 3.29Å; A546-S549 VanDerWaalsContact O-OG 3.05Å; A546-A550 WeakPolarHBondContact O-CB 3.32Å; A546-A550 PolarHBondContact O-N 3.32Å |
| 547 | A | 60.7 | Low | 67.2 | Low | 22 Ų | 22 | 70.1 Ų | 70.1 | 18% | 0.182 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.4 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P540 G544 S549 A550 F551 | P540-A547 HydrophobicContact CB-CB 3.98Å; G544-A547 WeakPolarHBondContact O-CA 3.49Å; G544-A547 PolarHBondContact O-N 2.9Å; A547-S549 PolarHBondContact O-N 3.35Å; A547-A550 PolarHBondContact O-N 3.49Å; A547-F551 WeakPolarHBondContact O-CD2 3.42Å; A547-F551 PolarHBondContact O-N 3.34Å |
| 548 | H | 68.1 | Low | 67 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.6 | -61.6 | -34.3 | 0 | 0 | 0 | 111.2 | G544 A550 F551 G552 R553 H554 V556 | G544-H548 PolarHBondContact O-CD2 3.31Å; G544-H548 VanDerWaalsContact O-CG 3.22Å; G544-H548 PolarHBondContact O-N 2.79Å; H548-A550 PolarHBondContact O-N 2.95Å; H548-F551 CarbonylContact O-C 3.43Å; H548-F551 PolarHBondContact O-N 3.06Å; H548-G552 PolarHBondContact O-N 3.01Å; H548-R553 WeakPolarHBondContact O-CA 3.15Å; H548-R553 PolarHBondContact O-N 3.43Å; H548-H554 PolarHBondContact ND1-O 3.26Å; H548-V556 PolarHBondContact CE1-N 2.77Å; H548-V556 PolarHBondContact ND1-N 3.07Å |
| 549 | S | 62 | Low | 67.1 | Low | 78 Ų | 78 | 66.7 Ų | 66.7 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | D545 A546 A547 F551 | D545-S549 WeakPolarHBondContact O-CB 3.24Å; D545-S549 PolarHBondContact O-N 3.35Å; D545-S549 PolarHBondContact O-OG 2.96Å; A546-S549 WeakPolarHBondContact CA-OG 3.42Å; A546-S549 PolarHBondContact O-OG 3.29Å; A546-S549 VanDerWaalsContact O-OG 3.05Å; A547-S549 PolarHBondContact O-N 3.35Å; S549-F551 PolarHBondContact O-N 3.22Å |
| 550 | A | 70.6 | Confident | 67.7 | Low | 34 Ų | 34 | 64.3 Ų | 64.3 | 28% | 0.281 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.9 | -19.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A546 A547 H548 G601 | A546-A550 WeakPolarHBondContact O-CB 3.32Å; A546-A550 PolarHBondContact O-N 3.32Å; A547-A550 PolarHBondContact O-N 3.49Å; H548-A550 PolarHBondContact O-N 2.95Å; A550-G601 WeakPolarHBondContact O-CA 3.43Å; A550-G601 PolarHBondContact O-N 3.32Å |
| 551 | F | 76.7 | Confident | 68.5 | Low | 10 Ų | 10 | 68.7 Ų | 68.7 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 39 | -178.3 | -65.8 | -85.7 | 0 | 0 | 0 | 112.1 | A547 H548 S549 H554 V556 V559 A577 A579 A599 H600 | A547-F551 WeakPolarHBondContact O-CD2 3.42Å; A547-F551 PolarHBondContact O-N 3.34Å; H548-F551 CarbonylContact O-C 3.43Å; H548-F551 PolarHBondContact O-N 3.06Å; S549-F551 PolarHBondContact O-N 3.22Å; F551-H554 PolarHBondContact O-CD2 3.12Å; F551-H554 VanDerWaalsContact O-CD2 3.28Å; F551-V556 HydrophobicContact CB-CG2 4Å; F551-V556 HydrophobicContact CD2-CG2 4.21Å; F551-V556 HydrophobicContact CG-CG2 4.38Å; F551-V559 HydrophobicContact CE2-CG1 4.11Å; F551-V559 HydrophobicContact CE2-CG2 3.85Å; F551-V559 HydrophobicContact CZ-CG1 3.85Å; F551-V559 HydrophobicContact CZ-CG2 4.34Å; F551-A577 HydrophobicContact CZ-CB 4.48Å; F551-A579 HydrophobicContact CB-CB 4.16Å; F551-A579 HydrophobicContact CD1-CB 3.45Å; F551-A579 VanDerWaalsContact CD1-CB 3.45Å; F551-A579 HydrophobicContact CD2-CB 3.85Å; F551-A579 HydrophobicContact CE1-CB 3.67Å; F551-A579 HydrophobicContact CE2-CB 4.06Å; F551-A579 HydrophobicContact CG-CB 3.55Å; F551-A579 HydrophobicContact CZ-CB 3.98Å; F551-A599 WeakPolarHBondContact CD1-O 3.5Å; F551-H600 HydrophobicContact CE1-CB 4.05Å; F551-H600 AromaticContact CZ-ND1 3.9Å |
| 552 | G | 65.6 | Low | 69.6 | Low | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 25.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | H548 H554 | H548-G552 PolarHBondContact O-N 3.01Å; G552-H554 PolarHBondContact O-N 2.98Å |
| 553 | R | 68.1 | Low | 70.1 | Confident | 224 Ų | 224 | 60.8 Ų | 60.8 | 85% | 0.845 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 14.1 | -174.5 | -59.8 | -177.5 | 176.3 | 176.1 | -1.4 | 114.8 | H548 | H548-R553 WeakPolarHBondContact O-CA 3.15Å; H548-R553 PolarHBondContact O-N 3.43Å |
| 554 | H | 69.9 | Low | 70.4 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | trans | -75.3 | 148.2 | 171.2 | -62.1 | -68.9 | 0 | 0 | 0 | 111.1 | H548 F551 G552 V556 V581 V653 | H548-H554 PolarHBondContact ND1-O 3.26Å; F551-H554 PolarHBondContact O-CD2 3.12Å; F551-H554 VanDerWaalsContact O-CD2 3.28Å; G552-H554 PolarHBondContact O-N 2.98Å; H554-V556 PolarHBondContact O-N 2.99Å; H554-V556 VanDerWaalsContact O-N 3.13Å; H554-V581 HydrophobicContact CB-CG1 3.98Å; H554-V653 PolarHBondContact CE1-O 3.01Å | ||
| 555 | K | 73.1 | Confident | 69.9 | Low | 121 Ų | 121 | 67.8 Ų | 67.8 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | trans | -68.8 | 109.4 | 172.1 | -169.4 | -179 | -177.4 | -179.2 | 0 | 109.2 | L658 | K555-L658 HydrophobicContact CB-CD1 4.04Å; K555-L658 HydrophobicContact CB-CD2 4.35Å; K555-L658 HydrophobicContact CB-CG 4.47Å; K555-L658 HydrophobicContact CD-CD2 4.09Å | ||
| 556 | V | 76.4 | Confident | 69 | Low | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | trans | -89.1 | 126 | -180 | 177.1 | 0 | 0 | 0 | 0 | 109 | H548 F551 H554 V559 A579 | H548-V556 PolarHBondContact CE1-N 2.77Å; H548-V556 PolarHBondContact ND1-N 3.07Å; F551-V556 HydrophobicContact CB-CG2 4Å; F551-V556 HydrophobicContact CD2-CG2 4.21Å; F551-V556 HydrophobicContact CG-CG2 4.38Å; H554-V556 PolarHBondContact O-N 2.99Å; H554-V556 VanDerWaalsContact O-N 3.13Å; V556-V559 HydrophobicContact CG1-CG2 3.72Å; V556-A579 HydrophobicContact CG1-CB 3.86Å; V556-A579 HydrophobicContact CG2-CB 4.01Å | ||
| 557 | L | 75.2 | Confident | 68.2 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -87.1 | -42.4 | 174.8 | -60 | 175.3 | 0 | 0 | 0 | 111.2 | I580 V581 R583 | L557-I580 WeakPolarHBondContact CB-O 3.41Å; L557-I580 PolarHBondContact N-O 3.47Å; L557-V581 WeakPolarHBondContact CD1-O 3.39Å; L557-R583 HydrophobicContact CD1-CG 4.25Å |
| 558 | A | 81.6 | Confident | 67.2 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 159.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L537 E539 A579 I580 | L537-A558 HydrophobicContact CD1-CB 3.56Å; E539-A558 HydrophobicContact CG-CB 4.39Å; A558-A579 CarbonylContact O-C 3.57Å; A558-A579 WeakPolarHBondContact O-CA 3.43Å; A558-I580 PolarHBondContact N-O 2.72Å; A558-I580 PolarHBondContact O-N 3.01Å |
| 559 | V | 85.2 | Confident | 65.7 | Low | 10 Ų | 10 | 83.7 Ų | 83.7 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.5 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | L538 F551 V556 R561 A577 A579 | L538-V559 PolarHBondContact N-O 2.8Å; L538-V559 PolarHBondContact O-N 2.91Å; F551-V559 HydrophobicContact CE2-CG1 4.11Å; F551-V559 HydrophobicContact CE2-CG2 3.85Å; F551-V559 HydrophobicContact CZ-CG1 3.85Å; F551-V559 HydrophobicContact CZ-CG2 4.34Å; V556-V559 HydrophobicContact CG1-CG2 3.72Å; V559-R561 HydrophobicContact CG1-CG 4.31Å; V559-A577 HydrophobicContact CG1-CB 4.41Å; V559-A579 HydrophobicContact CG2-CB 4.41Å |
| 560 | M | 86.7 | Confident | 64.6 | Low | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.2 | 173.7 | -66.5 | -58.4 | -84.1 | 0 | 0 | 109.4 | A508 H511 M530 W535 L537 A577 V578 I580 | A508-M560 HydrophobicContact CB-CE 4.33Å; A508-M560 WeakPolarHBondContact O-CE 3.41Å; H511-M560 WeakPolarHBondContact NE2-CE 3.02Å; M530-M560 HydrophobicContact CG-CE 3.58Å; M530-M560 HydrophobicContact SD-CE 4.48Å; W535-M560 HydrophobicContact CB-CE 4.22Å; W535-M560 HydrophobicContact CE3-CB 3.75Å; W535-M560 HydrophobicContact CZ3-CB 4.08Å; L537-M560 HydrophobicContact CB-SD 3.75Å; L537-M560 HydrophobicContact CD1-CG 4.43Å; L537-M560 HydrophobicContact CD1-SD 3.33Å; L537-M560 WeakPolarHBondContact CD1-SD 3.05Å; L537-M560 HydrophobicContact CG-SD 4.14Å; M560-A577 WeakPolarHBondContact O-CA 3.45Å; M560-V578 PolarHBondContact N-O 3.4Å; M560-V578 PolarHBondContact O-N 3.33Å; M560-I580 HydrophobicContact CG-CD1 4.29Å |
| 561 | R | 85.1 | Confident | 63.1 | Low | 132 Ų | 132 | 91.6 Ų | 91.6 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.4 | 177.3 | -69.3 | -169.2 | 178.4 | 146.5 | 1.1 | 111.2 | W535 T536 L538 V559 A577 | W535-R561 CarbonylContact C-O 3.44Å; W535-R561 WeakPolarHBondContact CA-O 3.48Å; T536-R561 PolarHBondContact N-O 2.88Å; T536-R561 PolarHBondContact O-N 3.46Å; L538-R561 HydrophobicContact CD1-CG 4.17Å; L538-R561 VanDerWaalsContact CD1-CZ 3.5Å; V559-R561 HydrophobicContact CG1-CG 4.31Å; R561-A577 HydrophobicContact CG-CB 4.13Å |
| 562 | P | 80.4 | Confident | 61.2 | Low | 34 Ų | 34 | 97.1 Ų | 97.1 | 22% | 0.221 | 52% | 0.519 | C | S | . | . | trans | -70.1 | 148.7 | 172.4 | 24.8 | -27.6 | 0 | 0 | 0 | 111.3 | W535 T564 S575 | W535-P562 HydrophobicContact CD2-CB 4.16Å; W535-P562 HydrophobicContact CZ2-CB 4.22Å; P562-T564 PolarHBondContact O-N 3.31Å; P562-S575 VanDerWaalsContact CG-O 3.24Å; P562-S575 WeakPolarHBondContact CG-O 3.33Å | ||
| 563 | S | 68.7 | Low | 60.1 | Low | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 54% | 0.538 | S | S | . | . | trans | -63.1 | 133.1 | 176.6 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | G534 Q565 | G534-S563 WeakPolarHBondContact O-CB 3.24Å; S563-Q565 VanDerWaalsContact C-N 3.28Å; S563-Q565 PolarHBondContact O-N 3.31Å; S563-Q565 PolarHBondContact OG-N 3.5Å | ||
| 564 | T | 55.5 | Low | 59.2 | Low | 141 Ų | 141 | 99.3 Ų | 99.3 | 87% | 0.865 | 53% | 0.532 | S | S | * | . | trans | -82.2 | 5.3 | 179 | 42.6 | 0 | 0 | 0 | 0 | 114 | P562 R566 | P562-T564 PolarHBondContact O-N 3.31Å; T564-R566 PolarHBondContact O-N 2.96Å | ||
| 565 | Q | 44.1 | Very low | 58.8 | Low | 166 Ų | 166 | 99.1 Ų | 99.1 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | trans | -93 | 75.4 | -172.8 | -66.3 | -171.2 | 0.5 | 0 | 0 | 113.4 | S563 | S563-Q565 VanDerWaalsContact C-N 3.28Å; S563-Q565 PolarHBondContact O-N 3.31Å; S563-Q565 PolarHBondContact OG-N 3.5Å | ||
| 566 | R | 38.5 | Very low | 58.8 | Low | 205 Ų | 205 | 98.5 Ų | 98.5 | 77% | 0.774 | 53% | 0.534 | S | S | * | . | trans | 175.7 | 118 | 137.2 | -98.3 | 167.3 | -170.7 | -178.5 | 5.4 | 109.5 | T564 Q568 | T564-R566 PolarHBondContact O-N 2.96Å; R566-Q568 PolarHBondContact O-N 2.98Å; R566-Q568 VanDerWaalsContact O-N 3.08Å | ||
| 567 | P | 39.7 | Very low | 59.1 | Low | 139 Ų | 139 | 99.2 Ų | 99.2 | 90% | 0.903 | 54% | 0.541 | S | S | * | . | trans | -72.5 | 100.9 | 164.1 | 28.7 | -27.7 | 0 | 0 | 0 | 107.5 | ||||
| 568 | Q | 39.4 | Very low | 59.6 | Low | 163 Ų | 163 | 97.6 Ų | 97.6 | 76% | 0.762 | 53% | 0.533 | S | S | * | . | trans | -108 | 145.3 | 167.3 | -82.4 | -174.7 | -13.2 | 0 | 0 | 110.7 | R566 | R566-Q568 PolarHBondContact O-N 2.98Å; R566-Q568 VanDerWaalsContact O-N 3.08Å | ||
| 569 | A | 37.7 | Very low | 59.9 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 75% | 0.752 | 53% | 0.533 | S | S | * | . | trans | -62 | 141.9 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 570 | Q | 38.1 | Very low | 60 | Low | 200 Ų | 200 | 97.1 Ų | 97.1 | 94% | 0.935 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 14.1 | 105.4 | 161.5 | -72.8 | 174.5 | -25 | 0 | 0 | 117.4 | ||
| 571 | G | 39 | Very low | 59.9 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 113.5 | 28.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 572 | T | 37.3 | Very low | 59.9 | Low | 126 Ų | 126 | 94.1 Ų | 94.1 | 77% | 0.773 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -142.3 | 138.5 | 171.8 | -12.8 | 0 | 0 | 0 | 0 | 112.6 | S574 | T572-S574 PolarHBondContact O-N 3.31Š|
| 573 | Y | 42.5 | Very low | 60.2 | Low | 205 Ų | 205 | 94.1 Ų | 94.1 | 80% | 0.804 | 52% | 0.517 | S | S | * | . | trans | -42.3 | 121 | -167.1 | -60.7 | -92.4 | 0 | 0 | 0 | 115.2 | ||||
| 574 | S | 49.5 | Very low | 61.1 | Low | 104 Ų | 104 | 91.8 Ų | 91.8 | 73% | 0.727 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 128.6 | 163.3 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | T572 E576 | T572-S574 PolarHBondContact O-N 3.31Å; S574-E576 PolarHBondContact O-N 3.02Å |
| 575 | S | 61.2 | Low | 62.3 | Low | 35 Ų | 35 | 86.2 Ų | 86.2 | 25% | 0.245 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 131.5 | 166.6 | -160 | 0 | 0 | 0 | 0 | 108.4 | W535 P562 | W535-S575 WeakPolarHBondContact CH2-OG 3.47Å; W535-S575 WeakPolarHBondContact CZ2-OG 3.46Å; P562-S575 VanDerWaalsContact CG-O 3.24Å; P562-S575 WeakPolarHBondContact CG-O 3.33Å |
| 576 | E | 73.6 | Confident | 64.2 | Low | 108 Ų | 108 | 83.3 Ų | 83.3 | 51% | 0.505 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 159 | 179.3 | -67 | -172.9 | 167.7 | 0 | 0 | 110.9 | S574 | S574-E576 PolarHBondContact O-N 3.02Š|
| 577 | A | 82.4 | Confident | 65.9 | Low | 22 Ų | 22 | 75.1 Ų | 75.1 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 140.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F551 V559 M560 R561 H600 | F551-A577 HydrophobicContact CZ-CB 4.48Å; V559-A577 HydrophobicContact CG1-CB 4.41Å; M560-A577 WeakPolarHBondContact O-CA 3.45Å; R561-A577 HydrophobicContact CG-CB 4.13Å; A577-H600 PolarHBondContact O-N 2.9Å |
| 578 | V | 86.4 | Confident | 67.3 | Low | 20 Ų | 20 | 73.2 Ų | 73.2 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.6 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | W535 M560 T597 | W535-V578 HydrophobicContact CH2-CG2 4.34Å; W535-V578 HydrophobicContact CZ3-CG2 4.28Å; M560-V578 PolarHBondContact N-O 3.4Å; M560-V578 PolarHBondContact O-N 3.33Å; V578-T597 VanDerWaalsContact CG1-CB 3.46Å; V578-T597 HydrophobicContact CG1-CG2 3.98Å |
| 579 | A | 86.4 | Confident | 68.6 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | F551 V556 A558 V559 T597 V598 | F551-A579 HydrophobicContact CB-CB 4.16Å; F551-A579 HydrophobicContact CD1-CB 3.45Å; F551-A579 VanDerWaalsContact CD1-CB 3.45Å; F551-A579 HydrophobicContact CD2-CB 3.85Å; F551-A579 HydrophobicContact CE1-CB 3.67Å; F551-A579 HydrophobicContact CE2-CB 4.06Å; F551-A579 HydrophobicContact CG-CB 3.55Å; F551-A579 HydrophobicContact CZ-CB 3.98Å; V556-A579 HydrophobicContact CG1-CB 3.86Å; V556-A579 HydrophobicContact CG2-CB 4.01Å; A558-A579 CarbonylContact O-C 3.57Å; A558-A579 WeakPolarHBondContact O-CA 3.43Å; V559-A579 HydrophobicContact CG2-CB 4.41Å; A579-T597 CarbonylContact O-C 3.42Å; A579-T597 WeakPolarHBondContact O-CA 3.25Å; A579-T597 WeakPolarHBondContact O-CB 3.39Å; A579-V598 PolarHBondContact N-O 3.21Å; A579-V598 PolarHBondContact O-N 2.9Å |
| 580 | I | 87.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.3 | 169.8 | -57.2 | 172.7 | 0 | 0 | 0 | 107.7 | C509 L557 A558 M560 R583 T597 | C509-I580 WeakPolarHBondContact O-CD1 3.25Å; L557-I580 WeakPolarHBondContact CB-O 3.41Å; L557-I580 PolarHBondContact N-O 3.47Å; A558-I580 PolarHBondContact N-O 2.72Å; A558-I580 PolarHBondContact O-N 3.01Å; M560-I580 HydrophobicContact CG-CD1 4.29Å; I580-R583 HydrophobicContact CG2-CG 3.75Å; I580-T597 HydrophobicContact CG1-CG2 4.24Å |
| 581 | V | 85.3 | Confident | 72.8 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -31 | -178.3 | -71.2 | 0 | 0 | 0 | 0 | 112.9 | H554 L557 V596 V598 L657 | H554-V581 HydrophobicContact CB-CG1 3.98Å; L557-V581 WeakPolarHBondContact CD1-O 3.39Å; V581-V596 HydrophobicContact CG2-CB 4.02Å; V581-V596 HydrophobicContact CG2-CG1 3.81Å; V581-V596 VanDerWaalsContact CG2-O 3.23Å; V581-V596 WeakPolarHBondContact CG2-O 2.81Å; V581-V596 PolarHBondContact N-O 3.44Å; V581-V598 HydrophobicContact CB-CG2 4.46Å; V581-V598 HydrophobicContact CG1-CB 4.3Å; V581-V598 HydrophobicContact CG1-CG2 3.75Å; V581-V598 HydrophobicContact CG2-CG2 3.83Å; V581-L657 HydrophobicContact CG2-CB 4.43Å; V581-L657 HydrophobicContact CG2-CD1 4.23Å |
| 582 | K | 85.4 | Confident | 75.2 | Confident | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.27 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.6 | 176 | -170 | 73.2 | 174.8 | -163.7 | 0 | 109.9 | F584 V595 V596 L658 | K582-F584 HydrophobicContact CG-CD2 4.5Å; K582-F584 HydrophobicContact CG-CE2 3.96Å; K582-F584 HydrophobicContact CG-CZ 4.06Å; K582-V595 CarbonylContact O-C 3.55Å; K582-V595 WeakPolarHBondContact O-CA 3.21Å; K582-V596 HydrophobicContact CB-CB 4.01Å; K582-V596 HydrophobicContact CB-CG2 4.17Å; K582-V596 PolarHBondContact N-O 2.88Å; K582-V596 PolarHBondContact O-N 3.2Å; K582-L658 PolarHBondContact NZ-O 3.2Å |
| 583 | R | 86.2 | Confident | 77.8 | Confident | 35 Ų | 35 | 54 Ų | 54 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.7 | 172 | -64.4 | 175.3 | 176.8 | 148.7 | -3 | 108.4 | V513 L557 I580 P585 V595 | V513-R583 PolarHBondContact O-NH2 2.99Å; L557-R583 HydrophobicContact CD1-CG 4.25Å; I580-R583 HydrophobicContact CG2-CG 3.75Å; R583-P585 WeakPolarHBondContact O-CD 3.39Å; R583-V595 HydrophobicContact CG-CG1 4.19Å |
| 584 | F | 87 | Confident | 80.2 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 85.8 | 162.4 | -60.4 | -82.6 | 0 | 0 | 0 | 107.9 | K582 M593 S594 V596 I660 R662 V665 | K582-F584 HydrophobicContact CG-CD2 4.5Å; K582-F584 HydrophobicContact CG-CE2 3.96Å; K582-F584 HydrophobicContact CG-CZ 4.06Å; F584-M593 WeakPolarHBondContact O-CA 2.98Å; F584-M593 VanDerWaalsContact O-CB 3.27Å; F584-M593 WeakPolarHBondContact O-CB 3.29Å; F584-S594 CarbonylContact C-O 3.55Å; F584-S594 WeakPolarHBondContact CA-O 3.45Å; F584-S594 WeakPolarHBondContact CB-O 3.43Å; F584-S594 WeakPolarHBondContact CB-OG 3.12Å; F584-S594 WeakPolarHBondContact CD2-OG 3.19Å; F584-S594 PolarHBondContact N-O 2.95Å; F584-S594 PolarHBondContact O-N 3.16Å; F584-V596 HydrophobicContact CE2-CG2 4.16Å; F584-I660 HydrophobicContact CE2-CG2 4.37Å; F584-I660 HydrophobicContact CZ-CG2 4.06Å; F584-I660 WeakPolarHBondContact CZ-O 3.49Å; F584-R662 HydrophobicContact CD1-CB 3.91Å; F584-R662 HydrophobicContact CD1-CG 4.19Å; F584-R662 HydrophobicContact CE1-CB 3.8Å; F584-R662 HydrophobicContact CG-CG 4.49Å; F584-R662 HydrophobicContact CZ-CB 4.44Å; F584-R662 PolarHBondContact O-NH2 3.17Å; F584-R662 VanDerWaalsContact O-NH2 3.07Å; F584-V665 HydrophobicContact CE2-CB 4.37Å; F584-V665 HydrophobicContact CE2-CG2 3.95Å; F584-V665 HydrophobicContact CZ-CG2 4.35Å |
| 585 | P | 81.5 | Confident | 82.3 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 16% | 0.156 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 24.1 | 116 | 137.3 | -42.2 | 14.8 | 0 | 0 | 0 | 121.4 | R321 R583 S587 R662 | R321-P585 VanDerWaalsContact NH2-CB 3.31Å; R583-P585 WeakPolarHBondContact O-CD 3.39Å; P585-S587 PolarHBondContact O-N 3.49Å; P585-R662 PolarHBondContact O-NH2 2.84Å |
| 586 | F | 82.9 | Confident | 83.6 | Confident | 105 Ų | 105 | 37.6 Ų | 37.6 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 130.6 | 159.6 | -173.5 | -95.9 | 0 | 0 | 0 | 111 | R321 R592 M593 | R321-F586 PolarHBondContact NH1-O 2.9Å; F586-R592 WeakPolarHBondContact CA-O 3.2Å; F586-M593 HydrophobicContact CB-CB 4.02Å; F586-M593 HydrophobicContact CB-SD 4.29Å; F586-M593 HydrophobicContact CD2-CB 4.44Å |
| 587 | S | 75.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.6 | 172.7 | 165.4 | 0 | 0 | 0 | 0 | 109.1 | P585 A589 L590 Q591 R592 | P585-S587 PolarHBondContact O-N 3.49Å; S587-A589 VanDerWaalsContact C-N 3.33Å; S587-L590 CarbonylContact O-C 3.27Å; S587-L590 PolarHBondContact O-N 2.97Å; S587-L590 PolarHBondContact OG-N 2.79Å; S587-Q591 WeakPolarHBondContact O-CA 3.47Å; S587-Q591 PolarHBondContact O-N 2.99Å; S587-R592 PolarHBondContact N-O 3.5Å |
| 588 | S | 67.4 | Low | 84.7 | Confident | 98 Ų | 98 | 31.6 Ų | 31.6 | 69% | 0.685 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -35.6 | 179.1 | 56 | 0 | 0 | 0 | 0 | 112.3 | Q591 | S588-Q591 VanDerWaalsContact O-CG 3.28Å; S588-Q591 WeakPolarHBondContact O-CG 3.47Å |
| 589 | A | 68.6 | Low | 84.6 | Confident | 90 Ų | 90 | 31.5 Ų | 31.5 | 74% | 0.744 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S587 | S587-A589 VanDerWaalsContact C-N 3.33Š|
| 590 | L | 80.3 | Confident | 84.3 | Confident | 58 Ų | 58 | 36.1 Ų | 36.1 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.6 | 179.8 | -59.6 | 177.6 | 0 | 0 | 0 | 113.8 | S587 R592 M615 | S587-L590 CarbonylContact O-C 3.27Å; S587-L590 PolarHBondContact O-N 2.97Å; S587-L590 PolarHBondContact OG-N 2.79Å; L590-R592 VanDerWaalsContact C-N 3.26Å; L590-R592 HydrophobicContact CB-CG 4.18Å; L590-R592 WeakPolarHBondContact O-CG 3.36Å; L590-R592 PolarHBondContact O-N 3.3Å; L590-R592 PolarHBondContact O-NH1 3.43Å; L590-M615 WeakPolarHBondContact O-CG 3.39Å |
| 591 | Q | 82.2 | Confident | 83.5 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 36% | 0.36 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 31.1 | -179.9 | -56.3 | -176.3 | -15 | 0 | 0 | 115.1 | S587 S588 G611 S612 | S587-Q591 WeakPolarHBondContact O-CA 3.47Å; S587-Q591 PolarHBondContact O-N 2.99Å; S588-Q591 VanDerWaalsContact O-CG 3.28Å; S588-Q591 WeakPolarHBondContact O-CG 3.47Å; Q591-G611 WeakPolarHBondContact O-CA 3.5Å; Q591-S612 PolarHBondContact O-N 2.97Å; Q591-S612 PolarHBondContact OE1-OG 3.16Å |
| 592 | R | 90.8 | Very high | 82.8 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 165.6 | -176 | 68.9 | -165.2 | -175.2 | -109 | 8.9 | 113 | F586 S587 L590 K610 M615 E666 | F586-R592 WeakPolarHBondContact CA-O 3.2Å; S587-R592 PolarHBondContact N-O 3.5Å; L590-R592 VanDerWaalsContact C-N 3.26Å; L590-R592 HydrophobicContact CB-CG 4.18Å; L590-R592 WeakPolarHBondContact O-CG 3.36Å; L590-R592 PolarHBondContact O-N 3.3Å; L590-R592 PolarHBondContact O-NH1 3.43Å; R592-K610 CarbonylContact C-O 3.45Å; R592-K610 WeakPolarHBondContact CA-O 3.43Å; R592-M615 PolarHBondContact NH1-SD 3.22Å; R592-E666 IonicContact CZ-OE2 2.81Å; R592-E666 VanDerWaalsContact CZ-OE2 3.22Å; R592-E666 IonicContact NE-OE2 3.22Å; R592-E666 PolarHBondContact NE-OE2 3.23Å; R592-E666 IonicContact NH2-OE2 3.75Å; R592-E666 PolarHBondContact NH2-OE2 2.72Å |
| 593 | M | 92 | Very high | 82.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 158.9 | 168.4 | 72.1 | 173.8 | -87.3 | 0 | 0 | 111.2 | T512 F584 F586 V595 L609 K610 | T512-M593 HydrophobicContact CG2-CE 3.85Å; F584-M593 WeakPolarHBondContact O-CA 2.98Å; F584-M593 VanDerWaalsContact O-CB 3.27Å; F584-M593 WeakPolarHBondContact O-CB 3.29Å; F586-M593 HydrophobicContact CB-CB 4.02Å; F586-M593 HydrophobicContact CB-SD 4.29Å; F586-M593 HydrophobicContact CD2-CB 4.44Å; M593-V595 HydrophobicContact CE-CG1 4.08Å; M593-L609 WeakPolarHBondContact O-CA 3.3Å; M593-K610 HydrophobicContact CG-CD 4.19Å; M593-K610 VanDerWaalsContact CG-CE 3.46Å; M593-K610 HydrophobicContact CG-CG 3.57Å; M593-K610 PolarHBondContact N-O 3.34Å; M593-K610 PolarHBondContact O-N 3.3Å; M593-K610 VanDerWaalsContact O-O 3.13Å; M593-K610 HydrophobicContact SD-CD 4.38Å; M593-K610 WeakPolarHBondContact SD-CE 3.37Å; M593-K610 HydrophobicContact SD-CG 4.38Å |
| 594 | S | 92.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.2 | 178.2 | 51 | 0 | 0 | 0 | 0 | 111.2 | F584 F608 E666 | F584-S594 CarbonylContact C-O 3.55Å; F584-S594 WeakPolarHBondContact CA-O 3.45Å; F584-S594 WeakPolarHBondContact CB-O 3.43Å; F584-S594 WeakPolarHBondContact CB-OG 3.12Å; F584-S594 WeakPolarHBondContact CD2-OG 3.19Å; F584-S594 PolarHBondContact N-O 2.95Å; F584-S594 PolarHBondContact O-N 3.16Å; S594-F608 CarbonylContact C-O 3.57Å; S594-F608 WeakPolarHBondContact CA-O 3.41Å; S594-F608 WeakPolarHBondContact CB-O 3.07Å; S594-E666 PolarHBondContact OG-OE1 3.32Å |
| 595 | V | 91.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.1 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | C510 K582 R583 M593 T597 A607 F608 | C510-V595 HydrophobicContact CB-CG2 4.04Å; K582-V595 CarbonylContact O-C 3.55Å; K582-V595 WeakPolarHBondContact O-CA 3.21Å; R583-V595 HydrophobicContact CG-CG1 4.19Å; M593-V595 HydrophobicContact CE-CG1 4.08Å; V595-T597 HydrophobicContact CG2-CG2 4.12Å; V595-A607 CarbonylContact O-C 3.52Å; V595-A607 VanDerWaalsContact O-CA 3.28Å; V595-A607 WeakPolarHBondContact O-CA 3.49Å; V595-F608 HydrophobicContact CG2-CB 3.89Å; V595-F608 HydrophobicContact CG2-CD2 4.37Å; V595-F608 PolarHBondContact N-O 3.32Å; V595-F608 PolarHBondContact O-N 3.38Å |
| 596 | V | 90.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.4 | 171.8 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | V581 K582 F584 L657 I660 V665 | V581-V596 HydrophobicContact CG2-CB 4.02Å; V581-V596 HydrophobicContact CG2-CG1 3.81Å; V581-V596 VanDerWaalsContact CG2-O 3.23Å; V581-V596 WeakPolarHBondContact CG2-O 2.81Å; V581-V596 PolarHBondContact N-O 3.44Å; K582-V596 HydrophobicContact CB-CB 4.01Å; K582-V596 HydrophobicContact CB-CG2 4.17Å; K582-V596 PolarHBondContact N-O 2.88Å; K582-V596 PolarHBondContact O-N 3.2Å; F584-V596 HydrophobicContact CE2-CG2 4.16Å; V596-L657 HydrophobicContact CG1-CD2 4.18Å; V596-I660 HydrophobicContact CG2-CG2 4.49Å; V596-V665 HydrophobicContact CG2-CG1 4.27Å; V596-V665 HydrophobicContact CG2-CG2 4.18Å |
| 597 | T | 89.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.6 | -174.7 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | C509 V578 A579 I580 V595 A605 L606 F608 | C509-T597 HydrophobicContact CB-CG2 3.87Å; V578-T597 VanDerWaalsContact CG1-CB 3.46Å; V578-T597 HydrophobicContact CG1-CG2 3.98Å; A579-T597 CarbonylContact O-C 3.42Å; A579-T597 WeakPolarHBondContact O-CA 3.25Å; A579-T597 WeakPolarHBondContact O-CB 3.39Å; I580-T597 HydrophobicContact CG1-CG2 4.24Å; V595-T597 HydrophobicContact CG2-CG2 4.12Å; T597-A605 CarbonylContact O-C 3.6Å; T597-A605 WeakPolarHBondContact O-CA 3.3Å; T597-L606 PolarHBondContact N-O 3.11Å; T597-L606 PolarHBondContact O-N 3.49Å; T597-L606 PolarHBondContact OG1-O 2.97Å; T597-F608 HydrophobicContact CG2-CD2 3.96Å; T597-F608 HydrophobicContact CG2-CE2 4.19Å; T597-F608 WeakPolarHBondContact OG1-CE2 3.33Å |
| 598 | V | 88.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.3 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 109 | A579 V581 S604 A605 L657 | A579-V598 PolarHBondContact N-O 3.21Å; A579-V598 PolarHBondContact O-N 2.9Å; V581-V598 HydrophobicContact CB-CG2 4.46Å; V581-V598 HydrophobicContact CG1-CB 4.3Å; V581-V598 HydrophobicContact CG1-CG2 3.75Å; V581-V598 HydrophobicContact CG2-CG2 3.83Å; V598-S604 WeakPolarHBondContact CA-O 3.32Å; V598-A605 HydrophobicContact CG2-CB 4.23Å; V598-L657 HydrophobicContact CG2-CD1 3.81Å |
| 599 | A | 84.9 | Confident | 85 | Confident | 18 Ų | 18 | 35.2 Ų | 35.2 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 159.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F551 G601 G602 S604 | F551-A599 WeakPolarHBondContact CD1-O 3.5Å; A599-G601 PolarHBondContact O-N 2.92Å; A599-G602 PolarHBondContact O-N 3.3Å; A599-S604 WeakPolarHBondContact CB-OG 3.31Å; A599-S604 PolarHBondContact N-O 2.8Å |
| 600 | H | 80.4 | Confident | 86.2 | Confident | 97 Ų | 97 | 31.4 Ų | 31.4 | 45% | 0.449 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -54.7 | 135.1 | 179.4 | -168.7 | 60.7 | 0 | 0 | 0 | 112.4 | F551 A577 G602 | F551-H600 HydrophobicContact CE1-CB 4.05Å; F551-H600 AromaticContact CZ-ND1 3.9Å; A577-H600 PolarHBondContact O-N 2.9Å; H600-G602 VanDerWaalsContact C-N 3.3Å; H600-G602 PolarHBondContact O-N 3.01Å |
| 601 | G | 70.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 28.7 Ų | 28.7 | 47% | 0.474 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | 78.2 | 6.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A550 A599 R603 | A550-G601 WeakPolarHBondContact O-CA 3.43Å; A550-G601 PolarHBondContact O-N 3.32Å; A599-G601 PolarHBondContact O-N 2.92Å; G601-R603 VanDerWaalsContact C-N 3.32Å; G601-R603 PolarHBondContact O-N 3.36Å |
| 602 | G | 70.3 | Confident | 87.1 | Confident | 16 Ų | 16 | 26 Ų | 26 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | 68.3 | 27.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | A599 H600 V653 | A599-G602 PolarHBondContact O-N 3.3Å; H600-G602 VanDerWaalsContact C-N 3.3Å; H600-G602 PolarHBondContact O-N 3.01Å; G602-V653 WeakPolarHBondContact O-CG1 3.48Å |
| 603 | R | 71.3 | Confident | 87.1 | Confident | 207 Ų | 207 | 25 Ų | 25 | 78% | 0.781 | 14% | 0.138 | S | C | * | . | trans | -84.9 | -27 | -172.2 | -66.3 | 178.4 | 177.3 | 171.1 | -0.6 | 114.2 | G601 | G601-R603 VanDerWaalsContact C-N 3.32Å; G601-R603 PolarHBondContact O-N 3.36Å | ||
| 604 | S | 81.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 29.1 Ų | 29.1 | 37% | 0.371 | 16% | 0.158 | S | C | . | . | trans | -150.6 | 144.1 | -178.9 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | V598 A599 | V598-S604 WeakPolarHBondContact CA-O 3.32Å; A599-S604 WeakPolarHBondContact CB-OG 3.31Å; A599-S604 PolarHBondContact N-O 2.8Å | ||
| 605 | A | 86.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T597 V598 V651 V653 L657 | T597-A605 CarbonylContact O-C 3.6Å; T597-A605 WeakPolarHBondContact O-CA 3.3Å; V598-A605 HydrophobicContact CG2-CB 4.23Å; A605-V651 HydrophobicContact CB-CB 4.22Å; A605-V651 PolarHBondContact O-N 3.34Å; A605-V653 HydrophobicContact CB-CG2 3.96Å; A605-L657 HydrophobicContact CB-CD1 4.35Å |
| 606 | L | 90.9 | Very high | 86.9 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.209 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129 | -179.2 | -77.1 | 165.6 | 0 | 0 | 0 | 109.6 | T597 F608 P650 | T597-L606 PolarHBondContact N-O 3.11Å; T597-L606 PolarHBondContact O-N 3.49Å; T597-L606 PolarHBondContact OG1-O 2.97Å; L606-F608 HydrophobicContact CB-CE2 4.08Å; L606-F608 HydrophobicContact CB-CZ 4.06Å; L606-F608 HydrophobicContact CD1-CZ 4.13Å; L606-P650 HydrophobicContact CD2-CB 4.37Å |
| 607 | A | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V595 C648 K649 V651 V665 | V595-A607 CarbonylContact O-C 3.52Å; V595-A607 VanDerWaalsContact O-CA 3.28Å; V595-A607 WeakPolarHBondContact O-CA 3.49Å; A607-C648 CarbonylContact O-C 3.48Å; A607-C648 WeakPolarHBondContact O-CA 3.47Å; A607-K649 HydrophobicContact CB-CB 4.49Å; A607-K649 PolarHBondContact N-O 2.83Å; A607-K649 PolarHBondContact O-N 2.77Å; A607-V651 HydrophobicContact CB-CG2 3.68Å; A607-V665 HydrophobicContact CB-CG1 3.45Å; A607-V665 VanDerWaalsContact CB-CG1 3.45Å |
| 608 | F | 95 | Very high | 87 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.9 | 172 | -63.4 | -69.8 | 0 | 0 | 0 | 109.8 | D502 A505 A506 C509 C510 S594 V595 T597 L606 A647 C648 L672 | D502-F608 HydrophobicContact CB-CE1 4.37Å; A505-F608 HydrophobicContact CB-CE1 4.43Å; A505-F608 HydrophobicContact CB-CE2 4.3Å; A505-F608 HydrophobicContact CB-CZ 3.76Å; A506-F608 HydrophobicContact CB-CB 4.35Å; A506-F608 HydrophobicContact CB-CD1 3.46Å; A506-F608 VanDerWaalsContact CB-CD1 3.46Å; A506-F608 HydrophobicContact CB-CE1 3.9Å; A506-F608 HydrophobicContact CB-CG 4.02Å; C509-F608 HydrophobicContact CB-CD2 4.33Å; C510-F608 HydrophobicContact CB-CB 4.09Å; S594-F608 CarbonylContact C-O 3.57Å; S594-F608 WeakPolarHBondContact CA-O 3.41Å; S594-F608 WeakPolarHBondContact CB-O 3.07Å; V595-F608 HydrophobicContact CG2-CB 3.89Å; V595-F608 HydrophobicContact CG2-CD2 4.37Å; V595-F608 PolarHBondContact N-O 3.32Å; V595-F608 PolarHBondContact O-N 3.38Å; T597-F608 HydrophobicContact CG2-CD2 3.96Å; T597-F608 HydrophobicContact CG2-CE2 4.19Å; T597-F608 WeakPolarHBondContact OG1-CE2 3.33Å; L606-F608 HydrophobicContact CB-CE2 4.08Å; L606-F608 HydrophobicContact CB-CZ 4.06Å; L606-F608 HydrophobicContact CD1-CZ 4.13Å; F608-A647 WeakPolarHBondContact CA-O 3.3Å; F608-C648 HydrophobicContact CD1-CB 3.74Å; F608-C648 HydrophobicContact CE1-CB 3.82Å; F608-L672 HydrophobicContact CD1-CD1 4.44Å |
| 609 | L | 94.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.2 | 178.9 | 179.8 | 149.7 | 0 | 0 | 0 | 109.8 | M593 V616 L619 L646 A647 E666 M669 | M593-L609 WeakPolarHBondContact O-CA 3.3Å; L609-V616 HydrophobicContact CD2-CB 3.97Å; L609-V616 HydrophobicContact CD2-CG1 3.69Å; L609-V616 HydrophobicContact CD2-CG2 3.43Å; L609-V616 VanDerWaalsContact CD2-CG2 3.43Å; L609-L619 HydrophobicContact CD1-CD1 4.13Å; L609-L646 CarbonylContact O-C 3.57Å; L609-L646 VanDerWaalsContact O-CA 3.31Å; L609-L646 WeakPolarHBondContact O-CA 3.23Å; L609-A647 PolarHBondContact N-O 3.48Å; L609-A647 PolarHBondContact O-N 3.23Å; L609-E666 HydrophobicContact CD1-CB 4.12Å; L609-E666 HydrophobicContact CD1-CG 3.82Å; L609-M669 HydrophobicContact CB-CE 3.56Å; L609-M669 HydrophobicContact CD1-CE 4.46Å |
| 610 | K | 94.4 | Very high | 87.6 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.9 | 169.5 | 75.5 | 179.7 | -179.8 | -171.1 | 0 | 111 | C510 E526 M529 R592 M593 A645 L646 | C510-K610 HydrophobicContact CB-CD 4.36Å; C510-K610 WeakPolarHBondContact O-CD 3.28Å; C510-K610 WeakPolarHBondContact O-CE 3.5Å; C510-K610 PolarHBondContact O-NZ 3.16Å; E526-K610 VanDerWaalsContact CG-NZ 3.31Å; E526-K610 WeakPolarHBondContact OE1-CE 3.34Å; E526-K610 IonicContact OE1-NZ 3.74Å; E526-K610 PolarHBondContact OE1-NZ 3.13Å; M529-K610 HydrophobicContact CE-CD 4.19Å; M529-K610 HydrophobicContact SD-CD 4.1Å; R592-K610 CarbonylContact C-O 3.45Å; R592-K610 WeakPolarHBondContact CA-O 3.43Å; M593-K610 HydrophobicContact CG-CD 4.19Å; M593-K610 VanDerWaalsContact CG-CE 3.46Å; M593-K610 HydrophobicContact CG-CG 3.57Å; M593-K610 PolarHBondContact N-O 3.34Å; M593-K610 PolarHBondContact O-N 3.3Å; M593-K610 VanDerWaalsContact O-O 3.13Å; M593-K610 HydrophobicContact SD-CD 4.38Å; M593-K610 WeakPolarHBondContact SD-CE 3.37Å; M593-K610 HydrophobicContact SD-CG 4.38Å; K610-A645 VanDerWaalsContact CA-O 3.26Å; K610-A645 WeakPolarHBondContact CA-O 3.46Å; K610-L646 HydrophobicContact CB-CD2 4.06Å; K610-L646 HydrophobicContact CB-CG 4.23Å |
| 611 | G | 91.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -164.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q591 A645 | Q591-G611 WeakPolarHBondContact O-CA 3.5Å; G611-A645 PolarHBondContact N-O 3.5Å; G611-A645 VanDerWaalsContact N-O 3.15Å; G611-A645 PolarHBondContact O-N 3.16Å |
| 612 | S | 89.6 | Confident | 88.9 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | trans | -60.4 | 135.7 | 173 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | Q591 E614 M615 V616 | Q591-S612 PolarHBondContact O-N 2.97Å; Q591-S612 PolarHBondContact OE1-OG 3.16Å; S612-E614 VanDerWaalsContact C-N 3.29Å; S612-E614 PolarHBondContact O-N 3.29Å; S612-M615 PolarHBondContact O-N 2.98Å; S612-M615 VanDerWaalsContact O-N 3.11Å; S612-M615 WeakPolarHBondContact OG-CB 3.45Å; S612-V616 WeakPolarHBondContact O-CG2 3.4Å; S612-V616 PolarHBondContact O-N 3.4Å | ||
| 613 | P | 90.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -42.8 | -172.7 | -30.2 | 38.1 | 0 | 0 | 0 | 113.9 | A617 F629 L633 V643 A645 L674 | P613-A617 VanDerWaalsContact O-CB 3.22Å; P613-A617 WeakPolarHBondContact O-CB 3.27Å; P613-A617 PolarHBondContact O-N 3.33Å; P613-F629 HydrophobicContact CB-CE2 4.22Å; P613-F629 HydrophobicContact CB-CZ 3.7Å; P613-F629 WeakPolarHBondContact O-CZ 3.36Å; P613-L633 HydrophobicContact CB-CD1 3.79Å; P613-L633 HydrophobicContact CB-CD2 3.77Å; P613-L633 HydrophobicContact CB-CG 4.43Å; P613-L633 HydrophobicContact CG-CD1 3.67Å; P613-L633 HydrophobicContact CG-CD2 4.45Å; P613-V643 WeakPolarHBondContact CD-O 3.41Å; P613-V643 HydrophobicContact CG-CB 4.04Å; P613-V643 HydrophobicContact CG-CG1 3.83Å; P613-A645 HydrophobicContact CB-CB 4.21Å; P613-A645 HydrophobicContact CG-CB 4.48Å; P613-L674 HydrophobicContact CB-CD2 4.29Å; P613-L674 HydrophobicContact CG-CD2 4.45Å |
| 614 | E | 89 | Confident | 90.5 | Very high | 89 Ų | 89 | 38.6 Ų | 38.6 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.8 | -40.9 | -179.1 | -53.5 | 91 | 161.4 | 0 | 0 | 112 | S612 S618 L633 | S612-E614 VanDerWaalsContact C-N 3.29Å; S612-E614 PolarHBondContact O-N 3.29Å; E614-S618 WeakPolarHBondContact O-CB 3.42Å; E614-S618 PolarHBondContact O-N 2.95Å; E614-L633 HydrophobicContact CG-CD2 4.28Å |
| 615 | M | 90.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -46.5 | 177.8 | -174.5 | 76.7 | -124.8 | 0 | 0 | 111.2 | L590 R592 S612 A617 S618 L619 | L590-M615 WeakPolarHBondContact O-CG 3.39Å; R592-M615 PolarHBondContact NH1-SD 3.22Å; S612-M615 PolarHBondContact O-N 2.98Å; S612-M615 VanDerWaalsContact O-N 3.11Å; S612-M615 WeakPolarHBondContact OG-CB 3.45Å; M615-A617 PolarHBondContact O-N 2.79Å; M615-S618 PolarHBondContact O-N 3.3Å; M615-S618 PolarHBondContact O-OG 2.84Å; M615-L619 HydrophobicContact CE-CD1 3.95Å; M615-L619 HydrophobicContact CE-CD2 3.93Å; M615-L619 HydrophobicContact CE-CG 3.88Å; M615-L619 WeakPolarHBondContact O-CG 3.38Å; M615-L619 PolarHBondContact O-N 2.92Å |
| 616 | V | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 177.7 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | L609 S612 S618 L619 C620 A645 A647 F671 | L609-V616 HydrophobicContact CD2-CB 3.97Å; L609-V616 HydrophobicContact CD2-CG1 3.69Å; L609-V616 HydrophobicContact CD2-CG2 3.43Å; L609-V616 VanDerWaalsContact CD2-CG2 3.43Å; S612-V616 WeakPolarHBondContact O-CG2 3.4Å; S612-V616 PolarHBondContact O-N 3.4Å; V616-S618 VanDerWaalsContact C-N 3.26Å; V616-S618 PolarHBondContact O-N 3.15Å; V616-L619 PolarHBondContact O-N 3.11Å; V616-C620 PolarHBondContact O-N 3.16Å; V616-C620 PolarHBondContact O-SG 3.25Å; V616-A645 HydrophobicContact CB-CB 3.65Å; V616-A645 HydrophobicContact CG1-CB 3.8Å; V616-A645 HydrophobicContact CG2-CB 3.9Å; V616-A647 HydrophobicContact CG1-CB 3.77Å; V616-F671 HydrophobicContact CG1-CD2 4.39Å |
| 617 | A | 91.5 | Very high | 90.7 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P613 M615 L619 C620 V625 F629 | P613-A617 VanDerWaalsContact O-CB 3.22Å; P613-A617 WeakPolarHBondContact O-CB 3.27Å; P613-A617 PolarHBondContact O-N 3.33Å; M615-A617 PolarHBondContact O-N 2.79Å; A617-L619 PolarHBondContact O-N 2.83Å; A617-C620 PolarHBondContact O-N 3.15Å; A617-V625 HydrophobicContact CB-CG1 4.5Å; A617-V625 HydrophobicContact CB-CG2 4.48Å; A617-F629 HydrophobicContact CB-CE1 3.97Å; A617-F629 HydrophobicContact CB-CE2 4.27Å; A617-F629 HydrophobicContact CB-CZ 3.79Å |
| 618 | S | 92.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 57% | 0.566 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67 | -20.3 | 177.6 | 74 | 0 | 0 | 0 | 0 | 114.5 | E614 M615 V616 | E614-S618 WeakPolarHBondContact O-CB 3.42Å; E614-S618 PolarHBondContact O-N 2.95Å; M615-S618 PolarHBondContact O-N 3.3Å; M615-S618 PolarHBondContact O-OG 2.84Å; V616-S618 VanDerWaalsContact C-N 3.26Å; V616-S618 PolarHBondContact O-N 3.15Å |
| 619 | L | 92.3 | Very high | 90.2 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -98.7 | -5.9 | 177.7 | -59.3 | 175.6 | 0 | 0 | 0 | 112.9 | L609 M615 V616 A617 E666 E668 M669 | L609-L619 HydrophobicContact CD1-CD1 4.13Å; M615-L619 HydrophobicContact CE-CD1 3.95Å; M615-L619 HydrophobicContact CE-CD2 3.93Å; M615-L619 HydrophobicContact CE-CG 3.88Å; M615-L619 WeakPolarHBondContact O-CG 3.38Å; M615-L619 PolarHBondContact O-N 2.92Å; V616-L619 PolarHBondContact O-N 3.11Å; A617-L619 PolarHBondContact O-N 2.83Å; L619-E666 HydrophobicContact CD1-CB 4.36Å; L619-E668 PolarHBondContact O-N 3.42Å; L619-M669 PolarHBondContact O-N 2.93Å |
| 620 | C | 93.2 | Very high | 89.8 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -91.4 | 156.6 | 179.9 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | V616 A617 V625 A647 M669 F671 | V616-C620 PolarHBondContact O-N 3.16Å; V616-C620 PolarHBondContact O-SG 3.25Å; A617-C620 PolarHBondContact O-N 3.15Å; C620-V625 HydrophobicContact CB-CG2 3.94Å; C620-A647 VanDerWaalsContact SG-CB 3.57Å; C620-M669 CarbonylContact C-O 3.46Å; C620-M669 WeakPolarHBondContact CA-O 3.43Å; C620-F671 HydrophobicContact CB-CB 4.06Å |
| 621 | R | 91.8 | Very high | 89.5 | Confident | 103 Ų | 103 | 53 Ų | 53 | 39% | 0.389 | 32% | 0.318 | S | S | . | . | trans | -61.9 | 127.6 | 170 | -71.5 | -177.7 | -73.2 | -174.5 | -0.4 | 109.6 | D623 T624 E668 M669 | R621-D623 PolarHBondContact O-N 3.07Å; R621-D623 VanDerWaalsContact O-N 3.09Å; R621-T624 HydrophobicContact CB-CG2 4.16Å; R621-T624 PolarHBondContact O-N 3.11Å; R621-T624 PolarHBondContact O-OG1 3.07Å; R621-E668 HydrophobicContact CG-CB 4.14Å; R621-M669 PolarHBondContact N-O 3.36Å | ||
| 622 | P | 86.4 | Confident | 89.2 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 69% | 0.688 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -53.5 | -35.4 | -176.2 | -26.4 | 33.2 | 0 | 0 | 0 | 113.4 | T624 V625 | P622-T624 PolarHBondContact O-N 3.47Å; P622-V625 PolarHBondContact O-N 2.81Å |
| 623 | D | 86.4 | Confident | 89.1 | Confident | 157 Ų | 157 | 54.1 Ų | 54.1 | 84% | 0.84 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -65.8 | -21.9 | -178.4 | -46.8 | -37.4 | 0 | 0 | 0 | 113.4 | R621 | R621-D623 PolarHBondContact O-N 3.07Å; R621-D623 VanDerWaalsContact O-N 3.09Å |
| 624 | T | 88.2 | Confident | 88.8 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 18% | 0.184 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -91.4 | -15.4 | -179.6 | 66 | 0 | 0 | 0 | 0 | 112.9 | S483 R621 P622 P626 Q670 F671 | S483-T624 PolarHBondContact OG-O 3.06Å; R621-T624 HydrophobicContact CB-CG2 4.16Å; R621-T624 PolarHBondContact O-N 3.11Å; R621-T624 PolarHBondContact O-OG1 3.07Å; P622-T624 PolarHBondContact O-N 3.47Å; T624-P626 WeakPolarHBondContact O-CD 3.39Å; T624-Q670 HydrophobicContact CG2-CB 4.42Å; T624-Q670 HydrophobicContact CG2-CG 3.99Å; T624-F671 PolarHBondContact OG1-N 3.05Å; T624-F671 VanDerWaalsContact OG1-N 3.08Å |
| 625 | V | 89.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -89 | 118.9 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 109 | A617 C620 P622 A627 F629 F671 | A617-V625 HydrophobicContact CB-CG1 4.5Å; A617-V625 HydrophobicContact CB-CG2 4.48Å; C620-V625 HydrophobicContact CB-CG2 3.94Å; P622-V625 PolarHBondContact O-N 2.81Å; V625-A627 PolarHBondContact O-N 2.8Å; V625-F629 HydrophobicContact CG1-CB 3.85Å; V625-F629 HydrophobicContact CG1-CD1 4.43Å; V625-F629 HydrophobicContact CG1-CD2 4.15Å; V625-F629 HydrophobicContact CG1-CG 3.9Å; V625-F671 HydrophobicContact CG2-CB 4.02Å; V625-F671 HydrophobicContact CG2-CD2 4.39Å; V625-F671 HydrophobicContact CG2-CG 4.21Å |
| 626 | P | 88.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -58.5 | 139.5 | -179.8 | -27.1 | 36 | 0 | 0 | 0 | 112.4 | S483 F488 T624 Q628 F629 | S483-P626 WeakPolarHBondContact OG-CD 3.46Å; S483-P626 VanDerWaalsContact OG-CG 3.26Å; S483-P626 WeakPolarHBondContact OG-CG 3.26Å; F488-P626 HydrophobicContact CD1-CG 4.48Å; F488-P626 HydrophobicContact CD2-CB 4.19Å; F488-P626 HydrophobicContact CD2-CG 4.27Å; F488-P626 HydrophobicContact CE1-CG 4.24Å; F488-P626 HydrophobicContact CE2-CB 3.95Å; F488-P626 HydrophobicContact CE2-CG 4.01Å; F488-P626 HydrophobicContact CZ-CB 4.39Å; F488-P626 HydrophobicContact CZ-CG 3.99Å; T624-P626 WeakPolarHBondContact O-CD 3.39Å; P626-Q628 PolarHBondContact O-N 2.88Å; P626-F629 WeakPolarHBondContact O-CB 3.36Å; P626-F629 PolarHBondContact O-N 3.12Å | ||
| 627 | A | 85.6 | Confident | 87.9 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 92% | 0.917 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V625 F629 | V625-A627 PolarHBondContact O-N 2.8Å; A627-F629 VanDerWaalsContact C-N 3.33Å |
| 628 | Q | 87 | Confident | 87.4 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.6 | 178.1 | -64.3 | 163.2 | -1 | 0 | 0 | 113.5 | P626 S630 A631 T632 | P626-Q628 PolarHBondContact O-N 2.88Å; Q628-S630 PolarHBondContact O-N 3.15Å; Q628-A631 PolarHBondContact O-N 3.28Å; Q628-T632 PolarHBondContact O-N 3.36Å; Q628-T632 PolarHBondContact O-OG1 2.89Å |
| 629 | F | 89.1 | Confident | 86.9 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -44.5 | -54.6 | -175 | 174.5 | -94.3 | 0 | 0 | 0 | 113.8 | F488 P613 A617 V625 P626 A627 A631 T632 L633 F671 L674 | F488-F629 HydrophobicContact CZ-CD2 4.12Å; P613-F629 HydrophobicContact CB-CE2 4.22Å; P613-F629 HydrophobicContact CB-CZ 3.7Å; P613-F629 WeakPolarHBondContact O-CZ 3.36Å; A617-F629 HydrophobicContact CB-CE1 3.97Å; A617-F629 HydrophobicContact CB-CE2 4.27Å; A617-F629 HydrophobicContact CB-CZ 3.79Å; V625-F629 HydrophobicContact CG1-CB 3.85Å; V625-F629 HydrophobicContact CG1-CD1 4.43Å; V625-F629 HydrophobicContact CG1-CD2 4.15Å; V625-F629 HydrophobicContact CG1-CG 3.9Å; P626-F629 WeakPolarHBondContact O-CB 3.36Å; P626-F629 PolarHBondContact O-N 3.12Å; A627-F629 VanDerWaalsContact C-N 3.33Å; F629-A631 VanDerWaalsContact C-N 3.29Å; F629-A631 PolarHBondContact O-N 3.41Å; F629-T632 PolarHBondContact O-N 3.48Å; F629-L633 HydrophobicContact CE1-CD2 4.1Å; F629-L633 HydrophobicContact CZ-CD2 4.12Å; F629-L633 WeakPolarHBondContact O-CB 3.28Å; F629-L633 PolarHBondContact O-N 3.16Å; F629-F671 HydrophobicContact CD2-CE1 4.42Å; F629-F671 HydrophobicContact CD2-CE2 4.32Å; F629-F671 AromaticContact CD2-CZ 3.85Å; F629-F671 HydrophobicContact CD2-CZ 3.85Å; F629-F671 AromaticContact CE2-CE2 3.86Å; F629-F671 HydrophobicContact CE2-CE2 3.86Å; F629-F671 AromaticContact CE2-CZ 3.68Å; F629-F671 HydrophobicContact CE2-CZ 3.68Å; F629-L674 HydrophobicContact CE2-CD2 4.09Å |
| 630 | S | 87.4 | Confident | 86.1 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 44% | 0.441 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.2 | -27.8 | -176.7 | -49.5 | 0 | 0 | 0 | 0 | 113.6 | Q628 R634 | Q628-S630 PolarHBondContact O-N 3.15Å; S630-R634 WeakPolarHBondContact O-CG 3.46Å; S630-R634 PolarHBondContact O-N 2.83Å; S630-R634 PolarHBondContact O-NE 3.35Å |
| 631 | A | 87 | Confident | 85.7 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -77.5 | -48.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q628 F629 R634 S635 | Q628-A631 PolarHBondContact O-N 3.28Å; F629-A631 VanDerWaalsContact C-N 3.29Å; F629-A631 PolarHBondContact O-N 3.41Å; A631-R634 PolarHBondContact O-N 3.31Å; A631-S635 PolarHBondContact O-N 3.49Å |
| 632 | T | 86.9 | Confident | 85.3 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 176.5 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | L481 F488 Q628 F629 R634 S635 V636 | L481-T632 HydrophobicContact CD1-CG2 4.02Å; F488-T632 HydrophobicContact CD2-CG2 4.21Å; F488-T632 HydrophobicContact CE2-CG2 4.27Å; Q628-T632 PolarHBondContact O-N 3.36Å; Q628-T632 PolarHBondContact O-OG1 2.89Å; F629-T632 PolarHBondContact O-N 3.48Å; T632-R634 VanDerWaalsContact C-N 3.29Å; T632-R634 PolarHBondContact O-N 2.86Å; T632-S635 PolarHBondContact O-N 3.16Å; T632-S635 VanDerWaalsContact O-N 3.17Å; T632-V636 HydrophobicContact CG2-CG2 4.21Å; T632-V636 WeakPolarHBondContact O-CB 3.43Å; T632-V636 VanDerWaalsContact O-CG2 3.31Å; T632-V636 WeakPolarHBondContact O-CG2 3.46Å; T632-V636 PolarHBondContact O-N 2.91Å |
| 633 | L | 87.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 177.7 | 178.2 | 62.4 | 0 | 0 | 0 | 112 | P613 E614 F629 S637 V643 | P613-L633 HydrophobicContact CB-CD1 3.79Å; P613-L633 HydrophobicContact CB-CD2 3.77Å; P613-L633 HydrophobicContact CB-CG 4.43Å; P613-L633 HydrophobicContact CG-CD1 3.67Å; P613-L633 HydrophobicContact CG-CD2 4.45Å; E614-L633 HydrophobicContact CG-CD2 4.28Å; F629-L633 HydrophobicContact CE1-CD2 4.1Å; F629-L633 HydrophobicContact CZ-CD2 4.12Å; F629-L633 WeakPolarHBondContact O-CB 3.28Å; F629-L633 PolarHBondContact O-N 3.16Å; L633-S637 WeakPolarHBondContact O-CB 3.18Å; L633-S637 PolarHBondContact O-N 3.28Å; L633-S637 PolarHBondContact O-OG 3.27Å; L633-V643 HydrophobicContact CD1-CB 3.93Å; L633-V643 HydrophobicContact CD1-CG1 3.91Å; L633-V643 HydrophobicContact CD1-CG2 4.16Å |
| 634 | R | 84.3 | Confident | 85.7 | Confident | 146 Ų | 146 | 48.3 Ų | 48.3 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 176.8 | -81.9 | -173.9 | -122.6 | 147.8 | 3 | 112.2 | S630 A631 T632 S637 S638 | S630-R634 WeakPolarHBondContact O-CG 3.46Å; S630-R634 PolarHBondContact O-N 2.83Å; S630-R634 PolarHBondContact O-NE 3.35Å; A631-R634 PolarHBondContact O-N 3.31Å; T632-R634 VanDerWaalsContact C-N 3.29Å; T632-R634 PolarHBondContact O-N 2.86Å; R634-S637 PolarHBondContact O-N 2.88Å; R634-S638 VanDerWaalsContact O-CB 3.29Å; R634-S638 WeakPolarHBondContact O-CB 3.33Å; R634-S638 PolarHBondContact O-N 3.5Å; R634-S638 PolarHBondContact O-OG 3.41Å |
| 635 | S | 85.9 | Confident | 86 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -54.2 | 177.6 | -165.7 | 0 | 0 | 0 | 0 | 110.7 | A631 T632 S637 S638 E639 | A631-S635 PolarHBondContact O-N 3.49Å; T632-S635 PolarHBondContact O-N 3.16Å; T632-S635 VanDerWaalsContact O-N 3.17Å; S635-S637 PolarHBondContact O-N 3.41Å; S635-S638 PolarHBondContact O-N 3.06Å; S635-S638 VanDerWaalsContact O-N 3.11Å; S635-S638 PolarHBondContact O-OG 3.32Å; S635-E639 PolarHBondContact O-N 3.37Å; S635-E639 VanDerWaalsContact O-N 3.17Å |
| 636 | V | 85.1 | Confident | 86.2 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | -178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | T632 S638 E639 L641 V643 M676 | T632-V636 HydrophobicContact CG2-CG2 4.21Å; T632-V636 WeakPolarHBondContact O-CB 3.43Å; T632-V636 VanDerWaalsContact O-CG2 3.31Å; T632-V636 WeakPolarHBondContact O-CG2 3.46Å; T632-V636 PolarHBondContact O-N 2.91Å; V636-S638 VanDerWaalsContact C-N 3.3Å; V636-S638 PolarHBondContact O-N 3.36Å; V636-E639 PolarHBondContact O-N 2.84Å; V636-L641 HydrophobicContact CG1-CB 3.81Å; V636-L641 HydrophobicContact CG1-CD1 3.84Å; V636-L641 HydrophobicContact CG1-CG 4.44Å; V636-L641 PolarHBondContact O-N 3.13Å; V636-V643 HydrophobicContact CB-CG2 4.23Å; V636-V643 HydrophobicContact CG1-CG2 3.37Å; V636-M676 HydrophobicContact CG1-CG 3.46Å; V636-M676 VanDerWaalsContact CG1-CG 3.46Å; V636-M676 HydrophobicContact CG1-SD 3.84Å; V636-M676 HydrophobicContact CG2-SD 4.21Å |
| 637 | S | 81.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -32.2 | 176.3 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | L633 R634 S635 E639 G640 | L633-S637 WeakPolarHBondContact O-CB 3.18Å; L633-S637 PolarHBondContact O-N 3.28Å; L633-S637 PolarHBondContact O-OG 3.27Å; R634-S637 PolarHBondContact O-N 2.88Å; S635-S637 PolarHBondContact O-N 3.41Å; S637-E639 VanDerWaalsContact C-N 3.3Å; S637-G640 WeakPolarHBondContact O-CA 3.3Å; S637-G640 PolarHBondContact O-N 3.23Å |
| 638 | S | 79.7 | Confident | 87 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.8 | -26.5 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 112.9 | R634 S635 V636 G640 | R634-S638 VanDerWaalsContact O-CB 3.29Å; R634-S638 WeakPolarHBondContact O-CB 3.33Å; R634-S638 PolarHBondContact O-N 3.5Å; R634-S638 PolarHBondContact O-OG 3.41Å; S635-S638 PolarHBondContact O-N 3.06Å; S635-S638 VanDerWaalsContact O-N 3.11Å; S635-S638 PolarHBondContact O-OG 3.32Å; V636-S638 VanDerWaalsContact C-N 3.3Å; V636-S638 PolarHBondContact O-N 3.36Å; S638-G640 PolarHBondContact O-N 2.74Å |
| 639 | E | 81.9 | Confident | 87.3 | Confident | 107 Ų | 107 | 36.3 Ų | 36.3 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.7 | 168.6 | -66.1 | 173.6 | -156.1 | 0 | 0 | 112.6 | S635 V636 S637 L641 N712 | S635-E639 PolarHBondContact O-N 3.37Å; S635-E639 VanDerWaalsContact O-N 3.17Å; V636-E639 PolarHBondContact O-N 2.84Å; S637-E639 VanDerWaalsContact C-N 3.3Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 HydrophobicContact CB-CD1 4.46Å; E639-L641 HydrophobicContact CB-CG 4.45Å; E639-N712 PolarHBondContact O-ND2 3.12Å |
| 640 | G | 75.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 21.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S637 S638 N712 | S637-G640 WeakPolarHBondContact O-CA 3.3Å; S637-G640 PolarHBondContact O-N 3.23Å; S638-G640 PolarHBondContact O-N 2.74Å; G640-N712 WeakPolarHBondContact CA-ND2 3.43Å |
| 641 | L | 85 | Confident | 87.3 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 136.6 | 170.5 | -61.8 | 168.8 | 0 | 0 | 0 | 109.4 | W478 V636 E639 M676 M677 K678 | W478-L641 HydrophobicContact CB-CD2 3.93Å; W478-L641 HydrophobicContact CD2-CD2 4.11Å; W478-L641 HydrophobicContact CG-CD1 4.21Å; W478-L641 HydrophobicContact CG-CD2 3.68Å; V636-L641 HydrophobicContact CG1-CB 3.81Å; V636-L641 HydrophobicContact CG1-CD1 3.84Å; V636-L641 HydrophobicContact CG1-CG 4.44Å; V636-L641 PolarHBondContact O-N 3.13Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 HydrophobicContact CB-CD1 4.46Å; E639-L641 HydrophobicContact CB-CG 4.45Å; L641-M676 HydrophobicContact CD1-CB 4.4Å; L641-M676 HydrophobicContact CD1-CG 4.38Å; L641-M677 CarbonylContact C-O 3.55Å; L641-M677 WeakPolarHBondContact CA-O 3.3Å; L641-K678 HydrophobicContact CD2-CB 3.78Å; L641-K678 HydrophobicContact CD2-CD 4.12Å; L641-K678 HydrophobicContact CD2-CG 4.01Å |
| 642 | R | 84.2 | Confident | 87 | Confident | 89 Ų | 89 | 39.6 Ų | 39.6 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.8 | 168.8 | -176.8 | 173.6 | -179.1 | 160.9 | -6.1 | 108 | L475 M677 | L475-R642 HydrophobicContact CD2-CB 4.18Å; R642-M677 HydrophobicContact CB-CB 4.48Å; R642-M677 PolarHBondContact N-O 2.94Å; R642-M677 PolarHBondContact O-N 3.47Å |
| 643 | V | 88.6 | Confident | 86.4 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132 | -175.5 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | P613 L633 V636 L674 L675 M676 | P613-V643 WeakPolarHBondContact CD-O 3.41Å; P613-V643 HydrophobicContact CG-CB 4.04Å; P613-V643 HydrophobicContact CG-CG1 3.83Å; L633-V643 HydrophobicContact CD1-CB 3.93Å; L633-V643 HydrophobicContact CD1-CG1 3.91Å; L633-V643 HydrophobicContact CD1-CG2 4.16Å; V636-V643 HydrophobicContact CB-CG2 4.23Å; V636-V643 HydrophobicContact CG1-CG2 3.37Å; V643-L674 HydrophobicContact CG1-CB 3.97Å; V643-L674 HydrophobicContact CG1-CD1 4.17Å; V643-L674 HydrophobicContact CG1-CD2 3.85Å; V643-L674 HydrophobicContact CG1-CG 4.21Å; V643-L675 WeakPolarHBondContact CA-O 3.3Å; V643-M676 HydrophobicContact CG2-CG 4.39Å |
| 644 | L | 91.4 | Very high | 85.6 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.5 | 168.5 | -68.2 | 174.3 | 0 | 0 | 0 | 109.1 | L525 L674 L675 M677 | L525-L644 HydrophobicContact CD1-CD1 3.9Å; L525-L644 HydrophobicContact CD2-CD1 3.64Å; L525-L644 HydrophobicContact CG-CD1 4.31Å; L644-L674 CarbonylContact O-C 3.48Å; L644-L674 WeakPolarHBondContact O-CA 3.4Å; L644-L675 HydrophobicContact CB-CB 4.35Å; L644-L675 HydrophobicContact CD1-CD2 4.38Å; L644-L675 PolarHBondContact N-O 3.26Å; L644-L675 PolarHBondContact O-N 3.27Å; L644-M677 HydrophobicContact CD1-SD 4.5Å |
| 645 | A | 94 | Very high | 85 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 147.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K610 G611 P613 V616 F671 G673 L674 | K610-A645 VanDerWaalsContact CA-O 3.26Å; K610-A645 WeakPolarHBondContact CA-O 3.46Å; G611-A645 PolarHBondContact N-O 3.5Å; G611-A645 VanDerWaalsContact N-O 3.15Å; G611-A645 PolarHBondContact O-N 3.16Å; P613-A645 HydrophobicContact CB-CB 4.21Å; P613-A645 HydrophobicContact CG-CB 4.48Å; V616-A645 HydrophobicContact CB-CB 3.65Å; V616-A645 HydrophobicContact CG1-CB 3.8Å; V616-A645 HydrophobicContact CG2-CB 3.9Å; A645-F671 HydrophobicContact CB-CE2 3.8Å; A645-F671 HydrophobicContact CB-CZ 4.34Å; A645-G673 WeakPolarHBondContact CA-O 3.25Å; A645-L674 HydrophobicContact CB-CD2 3.84Å |
| 646 | L | 94.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.2 | 173.7 | -66.3 | 118 | 0 | 0 | 0 | 110.5 | M503 A506 L507 L609 K610 L672 G673 L675 | M503-L646 HydrophobicContact CE-CB 4.47Å; M503-L646 HydrophobicContact CE-CD1 3.54Å; M503-L646 HydrophobicContact SD-CB 4.13Å; M503-L646 HydrophobicContact SD-CD1 4.07Å; A506-L646 HydrophobicContact CB-CD2 3.76Å; L507-L646 HydrophobicContact CD2-CD1 3.75Å; L507-L646 HydrophobicContact CD2-CD2 4.26Å; L507-L646 HydrophobicContact CG-CD1 4.44Å; L609-L646 CarbonylContact O-C 3.57Å; L609-L646 VanDerWaalsContact O-CA 3.31Å; L609-L646 WeakPolarHBondContact O-CA 3.23Å; K610-L646 HydrophobicContact CB-CD2 4.06Å; K610-L646 HydrophobicContact CB-CG 4.23Å; L646-L672 HydrophobicContact CB-CB 4.39Å; L646-L672 WeakPolarHBondContact O-CB 3.32Å; L646-L672 PolarHBondContact O-N 3.41Å; L646-G673 PolarHBondContact N-O 3.42Å; L646-G673 PolarHBondContact O-N 2.91Å; L646-L675 HydrophobicContact CD1-CB 3.95Å |
| 647 | A | 94.9 | Very high | 84 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F608 L609 V616 C620 M669 Q670 | F608-A647 WeakPolarHBondContact CA-O 3.3Å; L609-A647 PolarHBondContact N-O 3.48Å; L609-A647 PolarHBondContact O-N 3.23Å; V616-A647 HydrophobicContact CG1-CB 3.77Å; C620-A647 VanDerWaalsContact SG-CB 3.57Å; A647-M669 HydrophobicContact CB-CB 3.95Å; A647-M669 HydrophobicContact CB-CE 4.44Å; A647-Q670 CarbonylContact C-O 3.58Å; A647-Q670 WeakPolarHBondContact CA-O 3.43Å; A647-Q670 VanDerWaalsContact CB-O 3.3Å; A647-Q670 WeakPolarHBondContact CB-O 3.45Å |
| 648 | C | 94.7 | Very high | 83.4 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 159.1 | 175.3 | 68 | 0 | 0 | 0 | 0 | 112.9 | A607 F608 Q670 L672 | A607-C648 CarbonylContact O-C 3.48Å; A607-C648 WeakPolarHBondContact O-CA 3.47Å; F608-C648 HydrophobicContact CD1-CB 3.74Å; F608-C648 HydrophobicContact CE1-CB 3.82Å; C648-Q670 PolarHBondContact N-O 3.18Å; C648-Q670 WeakPolarHBondContact O-CB 3.39Å; C648-Q670 PolarHBondContact O-N 3.26Å; C648-L672 HydrophobicContact CB-CD1 3.86Å; C648-L672 HydrophobicContact CB-CD2 4.5Å; C648-L672 HydrophobicContact CB-CG 4.25Å |
| 649 | K | 93 | Very high | 83.1 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 19% | 0.191 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 133.9 | 169.8 | 173.2 | -179.6 | -177.2 | 179.2 | 0 | 110.2 | A607 E664 T667 M669 | A607-K649 HydrophobicContact CB-CB 4.49Å; A607-K649 PolarHBondContact N-O 2.83Å; A607-K649 PolarHBondContact O-N 2.77Å; K649-E664 PolarHBondContact NZ-O 2.93Å; K649-T667 VanDerWaalsContact CD-O 3.28Å; K649-T667 WeakPolarHBondContact CD-O 3.49Å; K649-T667 WeakPolarHBondContact CE-O 3.48Å; K649-T667 PolarHBondContact NZ-O 2.9Å; K649-T667 PolarHBondContact NZ-OG1 2.96Å; K649-M669 HydrophobicContact CB-CE 4.03Å; K649-M669 HydrophobicContact CB-SD 3.28Å; K649-M669 WeakPolarHBondContact CB-SD 3.42Å; K649-M669 HydrophobicContact CD-SD 3.84Å; K649-M669 HydrophobicContact CG-SD 4.2Å |
| 650 | P | 89.8 | Confident | 83.1 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 131.8 | 168.9 | 28.9 | -32.2 | 0 | 0 | 0 | 110.1 | L606 | L606-P650 HydrophobicContact CD2-CB 4.37Å |
| 651 | V | 86.7 | Confident | 83.4 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 13% | 0.133 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.7 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | A605 A607 V653 L657 I660 | A605-V651 HydrophobicContact CB-CB 4.22Å; A605-V651 PolarHBondContact O-N 3.34Å; A607-V651 HydrophobicContact CB-CG2 3.68Å; V651-V653 PolarHBondContact O-N 3.35Å; V651-L657 HydrophobicContact CG1-CD2 3.75Å; V651-I660 HydrophobicContact CG1-CD1 3.92Å |
| 652 | D | 82.4 | Confident | 83.5 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 54% | 0.535 | 27% | 0.268 | S | S | . | . | trans | -66.8 | 123.3 | 175.9 | -174.4 | 6.1 | 0 | 0 | 0 | 110.4 | N654 S655 | D652-N654 PolarHBondContact O-N 2.98Å; D652-N654 PolarHBondContact OD1-N 3.31Å; D652-N654 VanDerWaalsContact OD1-N 3.13Å; D652-S655 WeakPolarHBondContact O-CB 3.36Å; D652-S655 PolarHBondContact O-N 3.38Å; D652-S655 PolarHBondContact O-OG 3.48Å | ||
| 653 | V | 73.9 | Confident | 83.5 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -26.7 | -178.2 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | H554 G602 A605 V651 S655 | H554-V653 PolarHBondContact CE1-O 3.01Å; G602-V653 WeakPolarHBondContact O-CG1 3.48Å; A605-V653 HydrophobicContact CB-CG2 3.96Å; V651-V653 PolarHBondContact O-N 3.35Å; V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 2.97Å |
| 654 | N | 70.7 | Confident | 83.4 | Confident | 148 Ų | 148 | 59.1 Ų | 59.1 | 79% | 0.791 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.1 | -179.4 | -62.5 | -43.6 | 0 | 0 | 0 | 113.7 | D652 | D652-N654 PolarHBondContact O-N 2.98Å; D652-N654 PolarHBondContact OD1-N 3.31Å; D652-N654 VanDerWaalsContact OD1-N 3.13Å |
| 655 | S | 71.3 | Confident | 83.2 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -73.7 | 156.6 | 177.8 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | D652 V653 L657 | D652-S655 WeakPolarHBondContact O-CB 3.36Å; D652-S655 PolarHBondContact O-N 3.38Å; D652-S655 PolarHBondContact O-OG 3.48Å; V653-S655 VanDerWaalsContact C-N 3.28Å; V653-S655 PolarHBondContact O-N 2.97Å; S655-L657 VanDerWaalsContact C-N 3.28Å; S655-L657 PolarHBondContact O-N 3.08Å; S655-L657 WeakPolarHBondContact OG-CD2 3.47Å |
| 656 | D | 74.1 | Confident | 83 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | trans | -74 | 82.9 | 174.4 | -174 | 7.9 | 0 | 0 | 0 | 110.6 | L658 N659 I660 | D656-L658 PolarHBondContact O-N 3.38Å; D656-L658 WeakPolarHBondContact OD1-CB 3.4Å; D656-L658 PolarHBondContact OD1-N 3.1Å; D656-N659 PolarHBondContact O-N 2.94Å; D656-N659 VanDerWaalsContact O-N 3.13Å; D656-N659 PolarHBondContact OD2-ND2 3.03Å; D656-I660 PolarHBondContact O-N 2.98Å; D656-I660 VanDerWaalsContact O-N 3.15Å | ||
| 657 | L | 75.3 | Confident | 82.8 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.8 | -177.5 | -58.1 | 177.2 | 0 | 0 | 0 | 113.6 | V581 V596 V598 A605 V651 S655 I660 | V581-L657 HydrophobicContact CG2-CB 4.43Å; V581-L657 HydrophobicContact CG2-CD1 4.23Å; V596-L657 HydrophobicContact CG1-CD2 4.18Å; V598-L657 HydrophobicContact CG2-CD1 3.81Å; A605-L657 HydrophobicContact CB-CD1 4.35Å; V651-L657 HydrophobicContact CG1-CD2 3.75Å; S655-L657 VanDerWaalsContact C-N 3.28Å; S655-L657 PolarHBondContact O-N 3.08Å; S655-L657 WeakPolarHBondContact OG-CD2 3.47Å; L657-I660 WeakPolarHBondContact O-CG2 3.47Å |
| 658 | L | 68.8 | Low | 82.6 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -38.5 | 177.4 | -94.5 | 146.5 | 0 | 0 | 0 | 112.6 | K555 K582 D656 | K555-L658 HydrophobicContact CB-CD1 4.04Å; K555-L658 HydrophobicContact CB-CD2 4.35Å; K555-L658 HydrophobicContact CB-CG 4.47Å; K555-L658 HydrophobicContact CD-CD2 4.09Å; K582-L658 PolarHBondContact NZ-O 3.2Å; D656-L658 PolarHBondContact O-N 3.38Å; D656-L658 WeakPolarHBondContact OD1-CB 3.4Å; D656-L658 PolarHBondContact OD1-N 3.1Å |
| 659 | N | 73.3 | Confident | 82.5 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 65% | 0.652 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 7.7 | -175.4 | -66.1 | -41.2 | 0 | 0 | 0 | 113.3 | D656 E661 | D656-N659 PolarHBondContact O-N 2.94Å; D656-N659 VanDerWaalsContact O-N 3.13Å; D656-N659 PolarHBondContact OD2-ND2 3.03Å; N659-E661 PolarHBondContact O-N 3.24Å |
| 660 | I | 82.3 | Confident | 82.5 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.077 | 36% | 0.362 | C | S | . | . | trans | -56.3 | 130.8 | 176.5 | -161.8 | 167.6 | 0 | 0 | 0 | 110.9 | F584 V596 V651 D656 L657 E664 V665 | F584-I660 HydrophobicContact CE2-CG2 4.37Å; F584-I660 HydrophobicContact CZ-CG2 4.06Å; F584-I660 WeakPolarHBondContact CZ-O 3.49Å; V596-I660 HydrophobicContact CG2-CG2 4.49Å; V651-I660 HydrophobicContact CG1-CD1 3.92Å; D656-I660 PolarHBondContact O-N 2.98Å; D656-I660 VanDerWaalsContact O-N 3.15Å; L657-I660 WeakPolarHBondContact O-CG2 3.47Å; I660-E664 HydrophobicContact CG1-CB 4.43Å; I660-V665 HydrophobicContact CD1-CG2 3.6Å; I660-V665 HydrophobicContact CG1-CG2 3.79Å; I660-V665 HydrophobicContact CG2-CG2 4.01Å | ||
| 661 | E | 83.1 | Confident | 82.7 | Confident | 127 Ų | 127 | 65.9 Ų | 65.9 | 59% | 0.593 | 34% | 0.335 | S | S | * | . | trans | -74.8 | 148.3 | 178.8 | -81 | -72.9 | 167.4 | 0 | 0 | 110.5 | N659 E663 E664 V665 | N659-E661 PolarHBondContact O-N 3.24Å; E661-E663 VanDerWaalsContact C-N 3.25Å; E661-E663 PolarHBondContact O-N 2.87Å; E661-E664 PolarHBondContact O-N 3.15Å; E661-V665 PolarHBondContact O-N 2.82Å | ||
| 662 | R | 86.4 | Confident | 83 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | -179 | 179.2 | 174.6 | -131.2 | 157.7 | 6.9 | 111.9 | F584 P585 E664 V665 E666 | F584-R662 HydrophobicContact CD1-CB 3.91Å; F584-R662 HydrophobicContact CD1-CG 4.19Å; F584-R662 HydrophobicContact CE1-CB 3.8Å; F584-R662 HydrophobicContact CG-CG 4.49Å; F584-R662 HydrophobicContact CZ-CB 4.44Å; F584-R662 PolarHBondContact O-NH2 3.17Å; F584-R662 VanDerWaalsContact O-NH2 3.07Å; P585-R662 PolarHBondContact O-NH2 2.84Å; R662-E664 VanDerWaalsContact C-N 3.29Å; R662-E664 PolarHBondContact O-N 2.74Å; R662-V665 PolarHBondContact O-N 3.35Å; R662-E666 HydrophobicContact CG-CG 3.98Å; R662-E666 WeakPolarHBondContact CG-OE1 3.48Å; R662-E666 WeakPolarHBondContact CG-OE2 3.26Å; R662-E666 IonicContact CZ-OE1 3.9Å; R662-E666 IonicContact NE-OE1 3.96Å; R662-E666 PolarHBondContact NE-OE1 2.8Å; R662-E666 IonicContact NE-OE2 3.37Å; R662-E666 IonicContact NH2-OE1 2.72Å; R662-E666 WeakPolarHBondContact O-CB 3.48Å; R662-E666 VanDerWaalsContact O-CG 3.23Å; R662-E666 WeakPolarHBondContact O-CG 3.2Å; R662-E666 PolarHBondContact O-N 3.43Å |
| 663 | E | 85.4 | Confident | 83.5 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -66.6 | -32.3 | -175.2 | -67.2 | 160 | -176.6 | 0 | 0 | 112.1 | E661 T667 | E661-E663 VanDerWaalsContact C-N 3.25Å; E661-E663 PolarHBondContact O-N 2.87Å; E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-OG1 3.48Å |
| 664 | E | 85.4 | Confident | 84.4 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.4 | -36.7 | 176.6 | -170.9 | 175.4 | -175.8 | 0 | 0 | 112 | K649 I660 E661 R662 T667 | K649-E664 PolarHBondContact NZ-O 2.93Å; I660-E664 HydrophobicContact CG1-CB 4.43Å; E661-E664 PolarHBondContact O-N 3.15Å; R662-E664 VanDerWaalsContact C-N 3.29Å; R662-E664 PolarHBondContact O-N 2.74Å; E664-T667 PolarHBondContact O-OG1 3.42Å |
| 665 | V | 87.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73 | -41.1 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | F584 V596 A607 I660 E661 R662 T667 | F584-V665 HydrophobicContact CE2-CB 4.37Å; F584-V665 HydrophobicContact CE2-CG2 3.95Å; F584-V665 HydrophobicContact CZ-CG2 4.35Å; V596-V665 HydrophobicContact CG2-CG1 4.27Å; V596-V665 HydrophobicContact CG2-CG2 4.18Å; A607-V665 HydrophobicContact CB-CG1 3.45Å; A607-V665 VanDerWaalsContact CB-CG1 3.45Å; I660-V665 HydrophobicContact CD1-CG2 3.6Å; I660-V665 HydrophobicContact CG1-CG2 3.79Å; I660-V665 HydrophobicContact CG2-CG2 4.01Å; E661-V665 PolarHBondContact O-N 2.82Å; R662-V665 PolarHBondContact O-N 3.35Å; V665-T667 VanDerWaalsContact C-N 3.34Å; V665-T667 PolarHBondContact O-N 3.16Å |
| 666 | E | 90.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 37.8 | -169.1 | -59 | -176.3 | 169.6 | 0 | 0 | 114 | R592 S594 L609 L619 R662 | R592-E666 IonicContact CZ-OE2 2.81Å; R592-E666 VanDerWaalsContact CZ-OE2 3.22Å; R592-E666 IonicContact NE-OE2 3.22Å; R592-E666 PolarHBondContact NE-OE2 3.23Å; R592-E666 IonicContact NH2-OE2 3.75Å; R592-E666 PolarHBondContact NH2-OE2 2.72Å; S594-E666 PolarHBondContact OG-OE1 3.32Å; L609-E666 HydrophobicContact CD1-CB 4.12Å; L609-E666 HydrophobicContact CD1-CG 3.82Å; L619-E666 HydrophobicContact CD1-CB 4.36Å; R662-E666 HydrophobicContact CG-CG 3.98Å; R662-E666 WeakPolarHBondContact CG-OE1 3.48Å; R662-E666 WeakPolarHBondContact CG-OE2 3.26Å; R662-E666 IonicContact CZ-OE1 3.9Å; R662-E666 IonicContact NE-OE1 3.96Å; R662-E666 PolarHBondContact NE-OE1 2.8Å; R662-E666 IonicContact NE-OE2 3.37Å; R662-E666 IonicContact NH2-OE1 2.72Å; R662-E666 WeakPolarHBondContact O-CB 3.48Å; R662-E666 VanDerWaalsContact O-CG 3.23Å; R662-E666 WeakPolarHBondContact O-CG 3.2Å; R662-E666 PolarHBondContact O-N 3.43Å |
| 667 | T | 89.4 | Confident | 87 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -133.1 | 141.5 | -179 | 45.2 | 0 | 0 | 0 | 0 | 112.2 | K649 E663 E664 V665 M669 | K649-T667 VanDerWaalsContact CD-O 3.28Å; K649-T667 WeakPolarHBondContact CD-O 3.49Å; K649-T667 WeakPolarHBondContact CE-O 3.48Å; K649-T667 PolarHBondContact NZ-O 2.9Å; K649-T667 PolarHBondContact NZ-OG1 2.96Å; E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-OG1 3.48Å; E664-T667 PolarHBondContact O-OG1 3.42Å; V665-T667 VanDerWaalsContact C-N 3.34Å; V665-T667 PolarHBondContact O-N 3.16Å; T667-M669 VanDerWaalsContact C-N 3.28Å; T667-M669 PolarHBondContact O-N 3.07Å |
| 668 | E | 90.5 | Very high | 87.4 | Confident | 148 Ų | 148 | 49.6 Ų | 49.6 | 69% | 0.692 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 53.9 | 39.2 | 178.9 | -58.3 | -166.1 | 142.8 | 0 | 0 | 114.4 | L619 R621 | L619-E668 PolarHBondContact O-N 3.42Å; R621-E668 HydrophobicContact CG-CB 4.14Å |
| 669 | M | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 158.2 | -178.8 | -57.5 | -72.2 | -78.2 | 0 | 0 | 111.8 | L609 L619 C620 R621 A647 K649 T667 | L609-M669 HydrophobicContact CB-CE 3.56Å; L609-M669 HydrophobicContact CD1-CE 4.46Å; L619-M669 PolarHBondContact O-N 2.93Å; C620-M669 CarbonylContact C-O 3.46Å; C620-M669 WeakPolarHBondContact CA-O 3.43Å; R621-M669 PolarHBondContact N-O 3.36Å; A647-M669 HydrophobicContact CB-CB 3.95Å; A647-M669 HydrophobicContact CB-CE 4.44Å; K649-M669 HydrophobicContact CB-CE 4.03Å; K649-M669 HydrophobicContact CB-SD 3.28Å; K649-M669 WeakPolarHBondContact CB-SD 3.42Å; K649-M669 HydrophobicContact CD-SD 3.84Å; K649-M669 HydrophobicContact CG-SD 4.2Å; T667-M669 VanDerWaalsContact C-N 3.28Å; T667-M669 PolarHBondContact O-N 3.07Å |
| 670 | Q | 93.7 | Very high | 88.4 | Confident | 75 Ų | 75 | 43.9 Ų | 43.9 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.6 | 168.3 | 175.7 | 169.7 | -11.7 | 0 | 0 | 109.8 | T624 A647 C648 L672 | T624-Q670 HydrophobicContact CG2-CB 4.42Å; T624-Q670 HydrophobicContact CG2-CG 3.99Å; A647-Q670 CarbonylContact C-O 3.58Å; A647-Q670 WeakPolarHBondContact CA-O 3.43Å; A647-Q670 VanDerWaalsContact CB-O 3.3Å; A647-Q670 WeakPolarHBondContact CB-O 3.45Å; C648-Q670 PolarHBondContact N-O 3.18Å; C648-Q670 WeakPolarHBondContact O-CB 3.39Å; C648-Q670 PolarHBondContact O-N 3.26Å; Q670-L672 PolarHBondContact O-N 3.15Å |
| 671 | F | 94.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.3 | 178.1 | -172.7 | -96 | 0 | 0 | 0 | 110.8 | F488 V616 C620 T624 V625 F629 A645 L674 | F488-F671 AromaticContact CE1-CE1 3.97Å; F488-F671 HydrophobicContact CE1-CE1 3.97Å; F488-F671 HydrophobicContact CZ-CE1 4.22Å; V616-F671 HydrophobicContact CG1-CD2 4.39Å; C620-F671 HydrophobicContact CB-CB 4.06Å; T624-F671 PolarHBondContact OG1-N 3.05Å; T624-F671 VanDerWaalsContact OG1-N 3.08Å; V625-F671 HydrophobicContact CG2-CB 4.02Å; V625-F671 HydrophobicContact CG2-CD2 4.39Å; V625-F671 HydrophobicContact CG2-CG 4.21Å; F629-F671 HydrophobicContact CD2-CE1 4.42Å; F629-F671 HydrophobicContact CD2-CE2 4.32Å; F629-F671 AromaticContact CD2-CZ 3.85Å; F629-F671 HydrophobicContact CD2-CZ 3.85Å; F629-F671 AromaticContact CE2-CE2 3.86Å; F629-F671 HydrophobicContact CE2-CE2 3.86Å; F629-F671 AromaticContact CE2-CZ 3.68Å; F629-F671 HydrophobicContact CE2-CZ 3.68Å; A645-F671 HydrophobicContact CB-CE2 3.8Å; A645-F671 HydrophobicContact CB-CZ 4.34Å; F671-L674 HydrophobicContact CZ-CD2 3.87Å; F671-L674 HydrophobicContact CZ-CG 4.27Å |
| 672 | L | 92.6 | Very high | 89 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -41.7 | -177.4 | -70.8 | 176 | 0 | 0 | 0 | 112.9 | S483 D502 M503 A506 F608 L646 C648 Q670 | S483-L672 VanDerWaalsContact CB-O 3.29Å; S483-L672 WeakPolarHBondContact CB-O 3.28Å; S483-L672 PolarHBondContact N-O 3.43Å; D502-L672 HydrophobicContact CB-CD1 4.2Å; D502-L672 HydrophobicContact CB-CD2 3.73Å; M503-L672 HydrophobicContact SD-CB 3.79Å; A506-L672 HydrophobicContact CB-CD1 3.82Å; F608-L672 HydrophobicContact CD1-CD1 4.44Å; L646-L672 HydrophobicContact CB-CB 4.39Å; L646-L672 WeakPolarHBondContact O-CB 3.32Å; L646-L672 PolarHBondContact O-N 3.41Å; C648-L672 HydrophobicContact CB-CD1 3.86Å; C648-L672 HydrophobicContact CB-CD2 4.5Å; C648-L672 HydrophobicContact CB-CG 4.25Å; Q670-L672 PolarHBondContact O-N 3.15Å |
| 673 | G | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160 | -170.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L481 A645 L646 | L481-G673 CarbonylContact O-C 3.57Å; L481-G673 WeakPolarHBondContact O-CA 3.33Å; A645-G673 WeakPolarHBondContact CA-O 3.25Å; L646-G673 PolarHBondContact N-O 3.42Å; L646-G673 PolarHBondContact O-N 2.91Å |
| 674 | L | 93.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.8 | -179.5 | -60 | 176.5 | 0 | 0 | 0 | 110.9 | V480 L481 F488 P613 F629 V643 L644 A645 F671 | V480-L674 WeakPolarHBondContact CA-O 3.48Å; L481-L674 HydrophobicContact CB-CB 4.4Å; L481-L674 PolarHBondContact N-O 3.27Å; L481-L674 PolarHBondContact O-N 3.38Å; F488-L674 HydrophobicContact CE1-CD1 3.91Å; F488-L674 HydrophobicContact CE1-CG 3.93Å; F488-L674 HydrophobicContact CZ-CD1 3.79Å; F488-L674 HydrophobicContact CZ-CG 4.19Å; P613-L674 HydrophobicContact CB-CD2 4.29Å; P613-L674 HydrophobicContact CG-CD2 4.45Å; F629-L674 HydrophobicContact CE2-CD2 4.09Å; V643-L674 HydrophobicContact CG1-CB 3.97Å; V643-L674 HydrophobicContact CG1-CD1 4.17Å; V643-L674 HydrophobicContact CG1-CD2 3.85Å; V643-L674 HydrophobicContact CG1-CG 4.21Å; L644-L674 CarbonylContact O-C 3.48Å; L644-L674 WeakPolarHBondContact O-CA 3.4Å; A645-L674 HydrophobicContact CB-CD2 3.84Å; F671-L674 HydrophobicContact CZ-CD2 3.87Å; F671-L674 HydrophobicContact CZ-CG 4.27Å |
| 675 | L | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.4 | 166.9 | 174.9 | 68.3 | 0 | 0 | 0 | 108.8 | V477 V480 L507 M529 V643 L644 L646 M677 | V477-L675 HydrophobicContact CG1-CD1 3.94Å; V480-L675 HydrophobicContact CG2-CD1 3.73Å; L507-L675 HydrophobicContact CD2-CB 4.37Å; L507-L675 HydrophobicContact CD2-CD1 4.05Å; L507-L675 HydrophobicContact CD2-CD2 3.9Å; L507-L675 HydrophobicContact CD2-CG 4.34Å; M529-L675 HydrophobicContact CG-CD2 3.95Å; M529-L675 HydrophobicContact SD-CD2 4.09Å; V643-L675 WeakPolarHBondContact CA-O 3.3Å; L644-L675 HydrophobicContact CB-CB 4.35Å; L644-L675 HydrophobicContact CD1-CD2 4.38Å; L644-L675 PolarHBondContact N-O 3.26Å; L644-L675 PolarHBondContact O-N 3.27Å; L646-L675 HydrophobicContact CD1-CB 3.95Å; L675-M677 HydrophobicContact CD2-CG 4.36Å; L675-M677 HydrophobicContact CD2-SD 4.18Å; L675-M677 HydrophobicContact CG-CG 4.16Å |
| 676 | M | 90.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.3 | 175.7 | -72.7 | 144.2 | -77.2 | 0 | 0 | 110.3 | W478 G479 L481 L491 V636 L641 V643 | W478-M676 HydrophobicContact CB-CB 4.11Å; W478-M676 WeakPolarHBondContact CB-O 3.37Å; W478-M676 PolarHBondContact N-O 2.94Å; G479-M676 PolarHBondContact N-O 2.94Å; G479-M676 WeakPolarHBondContact O-CE 3.46Å; G479-M676 PolarHBondContact O-N 3.34Å; L481-M676 HydrophobicContact CB-CE 3.98Å; L481-M676 HydrophobicContact CD1-CE 3.63Å; L481-M676 HydrophobicContact CD1-SD 3.85Å; L481-M676 HydrophobicContact CG-CE 3.45Å; L481-M676 VanDerWaalsContact CG-CE 3.45Å; L481-M676 HydrophobicContact CG-SD 4.26Å; L491-M676 HydrophobicContact CD1-CE 3.39Å; L491-M676 HydrophobicContact CD1-SD 3.74Å; V636-M676 HydrophobicContact CG1-CG 3.46Å; V636-M676 VanDerWaalsContact CG1-CG 3.46Å; V636-M676 HydrophobicContact CG1-SD 3.84Å; V636-M676 HydrophobicContact CG2-SD 4.21Å; L641-M676 HydrophobicContact CD1-CB 4.4Å; L641-M676 HydrophobicContact CD1-CG 4.38Å; V643-M676 HydrophobicContact CG2-CG 4.39Å |
| 677 | M | 86.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.7 | 176.7 | -53.8 | -178.7 | 87.7 | 0 | 0 | 109.9 | L475 D476 V477 L525 K528 L641 R642 L644 L675 | L475-M677 HydrophobicContact CB-CB 4.36Å; L475-M677 HydrophobicContact CB-CE 3.67Å; L475-M677 HydrophobicContact CB-SD 4.35Å; L475-M677 HydrophobicContact CD2-CB 3.78Å; D476-M677 CarbonylContact O-C 3.56Å; D476-M677 WeakPolarHBondContact O-CA 3.26Å; D476-M677 WeakPolarHBondContact O-CB 3.5Å; V477-M677 HydrophobicContact CG2-CE 4.1Å; L525-M677 HydrophobicContact CD1-SD 4.02Å; L525-M677 HydrophobicContact CD2-SD 4.18Å; L525-M677 HydrophobicContact CG-CE 4Å; L525-M677 HydrophobicContact CG-SD 3.65Å; K528-M677 HydrophobicContact CB-CE 4.25Å; L641-M677 CarbonylContact C-O 3.55Å; L641-M677 WeakPolarHBondContact CA-O 3.3Å; R642-M677 HydrophobicContact CB-CB 4.48Å; R642-M677 PolarHBondContact N-O 2.94Å; R642-M677 PolarHBondContact O-N 3.47Å; L644-M677 HydrophobicContact CD1-SD 4.5Å; L675-M677 HydrophobicContact CD2-CG 4.36Å; L675-M677 HydrophobicContact CD2-SD 4.18Å; L675-M677 HydrophobicContact CG-CG 4.16Å |
| 678 | K | 83.8 | Confident | 90.7 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.8 | -178.9 | -165.9 | 173.6 | -178.5 | 176.4 | 0 | 111.1 | D476 W478 L641 L680 | D476-K678 PolarHBondContact N-O 3.28Å; D476-K678 PolarHBondContact O-N 3.48Å; W478-K678 HydrophobicContact CE3-CD 4.33Å; L641-K678 HydrophobicContact CD2-CB 3.78Å; L641-K678 HydrophobicContact CD2-CD 4.12Å; L641-K678 HydrophobicContact CD2-CG 4.01Å; K678-L680 HydrophobicContact CD-CD2 4.36Å |
| 679 | N | 79.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -88.1 | 119.9 | 164.7 | -73 | 64.6 | 0 | 0 | 0 | 108.5 | K466 T471 L475 | K466-N679 VanDerWaalsContact NZ-CG 3.26Å; K466-N679 PolarHBondContact NZ-ND2 3.3Å; T471-N679 HydrophobicContact CG2-CB 4.06Å; T471-N679 PolarHBondContact OG1-ND2 3.03Å; L475-N679 WeakPolarHBondContact CD2-OD1 3.32Å |
| 680 | L | 83.4 | Confident | 91 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 35% | 0.351 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 132.4 | 176.3 | -62.4 | 177.3 | 0 | 0 | 0 | 110.2 | T471 E472 K678 | T471-L680 CarbonylContact C-O 3.56Å; T471-L680 WeakPolarHBondContact CA-O 3.31Å; T471-L680 WeakPolarHBondContact CB-O 3.26Å; E472-L680 PolarHBondContact N-O 3.38Å; K678-L680 HydrophobicContact CD-CD2 4.36Å |
| 681 | V | 88.3 | Confident | 91 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 26% | 0.255 | 18% | 0.175 | S | C | . | . | B | Isolated β-bridge | trans | -74.8 | 132.3 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | T471 P686 V713 C717 | T471-V681 HydrophobicContact CG2-CG2 4.32Å; V681-P686 HydrophobicContact CG1-CG 4.38Å; V681-V713 HydrophobicContact CG2-CG1 4.19Å; V681-C717 VanDerWaalsContact CG1-SG 3.55Å |
| 682 | K | 90.6 | Very high | 91 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 136.8 | 176.9 | -69.4 | 179.7 | 174.1 | 175.8 | 0 | 110.1 | G468 L470 T471 E472 E684 S685 P686 E864 | G468-K682 PolarHBondContact O-NZ 3.12Å; L470-K682 PolarHBondContact O-N 2.89Å; T471-K682 VanDerWaalsContact O-CE 3.29Å; T471-K682 WeakPolarHBondContact O-CE 3.45Å; E472-K682 HydrophobicContact CG-CG 4.03Å; K682-E684 PolarHBondContact O-N 3.46Å; K682-E684 VanDerWaalsContact O-N 3.13Å; K682-S685 WeakPolarHBondContact O-CB 3.42Å; K682-S685 PolarHBondContact O-N 2.72Å; K682-P686 WeakPolarHBondContact O-CD 3.32Å; K682-E864 PolarHBondContact NZ-O 3.17Å |
| 683 | P | 91.1 | Very high | 90.9 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 66% | 0.656 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.6 | -173.2 | 22.8 | -32.3 | 0 | 0 | 0 | 113.2 | ||
| 684 | E | 92.3 | Very high | 90.9 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20.9 | 179.4 | -49.2 | 93.4 | 145.2 | 0 | 0 | 113.3 | K682 E687 V688 N865 | K682-E684 PolarHBondContact O-N 3.46Å; K682-E684 VanDerWaalsContact O-N 3.13Å; E684-E687 PolarHBondContact O-N 2.83Å; E684-V688 WeakPolarHBondContact O-CG2 3.28Å; E684-V688 PolarHBondContact O-N 2.98Å; E684-V688 VanDerWaalsContact O-N 3.08Å; E684-N865 PolarHBondContact OE1-ND2 3.49Å |
| 685 | S | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.8 | -50.1 | -174.2 | -71.4 | 0 | 0 | 0 | 0 | 112.9 | L470 K682 E687 V688 I689 | L470-S685 PolarHBondContact O-OG 3.46Å; K682-S685 WeakPolarHBondContact O-CB 3.42Å; K682-S685 PolarHBondContact O-N 2.72Å; S685-E687 VanDerWaalsContact C-N 3.34Å; S685-E687 PolarHBondContact O-N 2.82Å; S685-V688 PolarHBondContact O-N 2.84Å; S685-I689 VanDerWaalsContact O-CG1 3.29Å; S685-I689 WeakPolarHBondContact O-CG1 3.22Å; S685-I689 PolarHBondContact O-N 3.38Å |
| 686 | P | 94.1 | Very high | 90.7 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -36.4 | -179.9 | -21.5 | 33.2 | 0 | 0 | 0 | 113.8 | V681 K682 N690 | V681-P686 HydrophobicContact CG1-CG 4.38Å; K682-P686 WeakPolarHBondContact O-CD 3.32Å; P686-N690 VanDerWaalsContact O-CB 3.3Å; P686-N690 WeakPolarHBondContact O-CB 3.18Å; P686-N690 PolarHBondContact O-N 3.35Å |
| 687 | E | 93.9 | Very high | 90.8 | Very high | 137 Ų | 137 | 47.6 Ų | 47.6 | 64% | 0.64 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.6 | -43.6 | -179.8 | -172.4 | -176.6 | 170.4 | 0 | 0 | 111.5 | E684 S685 N690 T691 | E684-E687 PolarHBondContact O-N 2.83Å; S685-E687 VanDerWaalsContact C-N 3.34Å; S685-E687 PolarHBondContact O-N 2.82Å; E687-N690 PolarHBondContact O-N 2.85Å; E687-T691 PolarHBondContact O-N 3.06Å; E687-T691 PolarHBondContact O-OG1 3.14Å |
| 688 | V | 95 | Very high | 91.1 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | E684 S685 N690 T691 L692 I866 P870 | E684-V688 WeakPolarHBondContact O-CG2 3.28Å; E684-V688 PolarHBondContact O-N 2.98Å; E684-V688 VanDerWaalsContact O-N 3.08Å; S685-V688 PolarHBondContact O-N 2.84Å; V688-N690 VanDerWaalsContact C-N 3.31Å; V688-N690 PolarHBondContact O-N 3.31Å; V688-T691 WeakPolarHBondContact O-CB 3.38Å; V688-T691 PolarHBondContact O-N 2.99Å; V688-T691 VanDerWaalsContact O-N 3.16Å; V688-L692 HydrophobicContact CG1-CD1 4.38Å; V688-L692 WeakPolarHBondContact O-CG 3.43Å; V688-L692 PolarHBondContact O-N 2.65Å; V688-I866 HydrophobicContact CB-CD1 3.76Å; V688-I866 HydrophobicContact CB-CG1 3.84Å; V688-I866 HydrophobicContact CG1-CB 4.42Å; V688-I866 HydrophobicContact CG1-CD1 3.64Å; V688-I866 HydrophobicContact CG1-CG1 3.77Å; V688-I866 HydrophobicContact CG2-CG1 4.13Å; V688-P870 HydrophobicContact CG1-CG 3.98Å; V688-P870 HydrophobicContact CG2-CG 4.39Å |
| 689 | I | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.8 | -66.4 | -59.6 | 0 | 0 | 0 | 110.6 | F464 S685 T691 L692 T693 C717 M719 I866 | F464-I689 HydrophobicContact CD2-CD1 4.05Å; F464-I689 HydrophobicContact CE2-CD1 3.68Å; F464-I689 HydrophobicContact CZ-CD1 4.04Å; S685-I689 VanDerWaalsContact O-CG1 3.29Å; S685-I689 WeakPolarHBondContact O-CG1 3.22Å; S685-I689 PolarHBondContact O-N 3.38Å; I689-T691 VanDerWaalsContact C-N 3.32Å; I689-T691 PolarHBondContact O-N 3.09Å; I689-L692 HydrophobicContact CD1-CD1 4.48Å; I689-L692 WeakPolarHBondContact O-CB 3.4Å; I689-L692 PolarHBondContact O-N 3Å; I689-L692 VanDerWaalsContact O-N 3.13Å; I689-T693 PolarHBondContact O-N 3.38Å; I689-T693 PolarHBondContact O-OG1 3.04Å; I689-T693 VanDerWaalsContact O-OG1 3.08Å; I689-C717 WeakPolarHBondContact CB-O 3.32Å; I689-C717 HydrophobicContact CG1-CB 4.45Å; I689-C717 WeakPolarHBondContact CG2-O 3.43Å; I689-M719 HydrophobicContact CB-CG 4.49Å; I689-M719 HydrophobicContact CD1-CE 4Å; I689-M719 HydrophobicContact CD1-CG 4.15Å; I689-M719 HydrophobicContact CG1-CG 4.1Å; I689-M719 HydrophobicContact CG2-CB 4.36Å; I689-M719 HydrophobicContact CG2-CG 3.64Å; I689-I866 HydrophobicContact CD1-CD1 4.19Å; I689-I866 HydrophobicContact CG1-CD1 4.24Å |
| 690 | N | 93.5 | Very high | 92.4 | Very high | 60 Ų | 60 | 46 Ų | 46 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 175.3 | -174.9 | 47.8 | 0 | 0 | 0 | 112 | P686 E687 V688 L692 T693 L694 | P686-N690 VanDerWaalsContact O-CB 3.3Å; P686-N690 WeakPolarHBondContact O-CB 3.18Å; P686-N690 PolarHBondContact O-N 3.35Å; E687-N690 PolarHBondContact O-N 2.85Å; V688-N690 VanDerWaalsContact C-N 3.31Å; V688-N690 PolarHBondContact O-N 3.31Å; N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 PolarHBondContact O-N 3.16Å; N690-T693 PolarHBondContact O-N 3.23Å; N690-L694 WeakPolarHBondContact O-CB 3.22Å; N690-L694 VanDerWaalsContact O-CG 3.31Å; N690-L694 WeakPolarHBondContact O-CG 3.39Å; N690-L694 PolarHBondContact O-N 3.44Å |
| 691 | T | 93.8 | Very high | 92.9 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 175.7 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | E687 V688 I689 A695 P870 L940 | E687-T691 PolarHBondContact O-N 3.06Å; E687-T691 PolarHBondContact O-OG1 3.14Å; V688-T691 WeakPolarHBondContact O-CB 3.38Å; V688-T691 PolarHBondContact O-N 2.99Å; V688-T691 VanDerWaalsContact O-N 3.16Å; I689-T691 VanDerWaalsContact C-N 3.32Å; I689-T691 PolarHBondContact O-N 3.09Å; T691-A695 WeakPolarHBondContact O-CB 3.43Å; T691-A695 PolarHBondContact O-N 3.34Å; T691-A695 VanDerWaalsContact O-N 3.14Å; T691-P870 HydrophobicContact CG2-CB 4.35Å; T691-L940 HydrophobicContact CG2-CB 4.23Å; T691-L940 HydrophobicContact CG2-CD2 4.39Å |
| 692 | L | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.4 | -42 | 176.6 | -65.3 | 176.3 | 0 | 0 | 0 | 112 | F464 V688 I689 N690 A695 H696 I697 V869 I873 L940 | F464-L692 HydrophobicContact CE2-CD1 3.96Å; F464-L692 HydrophobicContact CZ-CD1 3.59Å; V688-L692 HydrophobicContact CG1-CD1 4.38Å; V688-L692 WeakPolarHBondContact O-CG 3.43Å; V688-L692 PolarHBondContact O-N 2.65Å; I689-L692 HydrophobicContact CD1-CD1 4.48Å; I689-L692 WeakPolarHBondContact O-CB 3.4Å; I689-L692 PolarHBondContact O-N 3Å; I689-L692 VanDerWaalsContact O-N 3.13Å; N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 PolarHBondContact O-N 3.16Å; L692-A695 CarbonylContact O-C 3.48Å; L692-A695 WeakPolarHBondContact O-CA 3.28Å; L692-A695 PolarHBondContact O-N 3.49Å; L692-A695 VanDerWaalsContact O-N 3.14Å; L692-H696 PolarHBondContact O-N 3.48Å; L692-I697 CarbonylContact C-O 3.43Å; L692-I697 HydrophobicContact CB-CB 4.26Å; L692-I697 HydrophobicContact CD2-CB 4.43Å; L692-I697 HydrophobicContact CD2-CD1 3.85Å; L692-I697 HydrophobicContact CD2-CG2 4.43Å; L692-I697 PolarHBondContact O-N 2.96Å; L692-V869 HydrophobicContact CD1-CG1 4.17Å; L692-V869 HydrophobicContact CD2-CG1 4.31Å; L692-I873 HydrophobicContact CD2-CD1 3.89Å; L692-L940 HydrophobicContact CD2-CD2 4.09Å |
| 693 | T | 91.4 | Very high | 93.1 | Very high | 70 Ų | 70 | 40 Ų | 40 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | I689 N690 A695 H696 | I689-T693 PolarHBondContact O-N 3.38Å; I689-T693 PolarHBondContact O-OG1 3.04Å; I689-T693 VanDerWaalsContact O-OG1 3.08Å; N690-T693 PolarHBondContact O-N 3.23Å; T693-A695 PolarHBondContact O-N 3.32Å; T693-H696 PolarHBondContact O-N 3.12Å |
| 694 | L | 91.8 | Very high | 92.6 | Very high | 113 Ų | 113 | 37.3 Ų | 37.3 | 59% | 0.592 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -58 | -35.4 | 173.8 | -71 | 174.2 | 0 | 0 | 0 | 111.8 | N690 H696 P942 | N690-L694 WeakPolarHBondContact O-CB 3.22Å; N690-L694 VanDerWaalsContact O-CG 3.31Å; N690-L694 WeakPolarHBondContact O-CG 3.39Å; N690-L694 PolarHBondContact O-N 3.44Å; L694-H696 PolarHBondContact O-N 3.4Å; L694-P942 WeakPolarHBondContact O-CG 3.4Å |
| 695 | A | 90.5 | Very high | 92 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T691 L692 T693 I697 L940 | T691-A695 WeakPolarHBondContact O-CB 3.43Å; T691-A695 PolarHBondContact O-N 3.34Å; T691-A695 VanDerWaalsContact O-N 3.14Å; L692-A695 CarbonylContact O-C 3.48Å; L692-A695 WeakPolarHBondContact O-CA 3.28Å; L692-A695 PolarHBondContact O-N 3.49Å; L692-A695 VanDerWaalsContact O-N 3.14Å; T693-A695 PolarHBondContact O-N 3.32Å; A695-I697 HydrophobicContact CB-CD1 4.02Å; A695-I697 HydrophobicContact CB-CG1 4.3Å; A695-I697 PolarHBondContact O-N 3.26Å; A695-L940 HydrophobicContact CB-CB 4.26Å; A695-L940 HydrophobicContact CB-CD2 3.44Å; A695-L940 VanDerWaalsContact CB-CD2 3.44Å; A695-L940 HydrophobicContact CB-CG 3.57Å |
| 696 | H | 90.6 | Very high | 91.4 | Very high | 142 Ų | 142 | 37.4 Ų | 37.4 | 66% | 0.657 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 37.3 | -174 | -62 | -44.6 | 0 | 0 | 0 | 113.9 | L692 T693 L694 | L692-H696 PolarHBondContact O-N 3.48Å; T693-H696 PolarHBondContact O-N 3.12Å; L694-H696 PolarHBondContact O-N 3.4Å |
| 697 | I | 92.6 | Very high | 91 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 120.8 | 170.3 | -60.2 | 164.2 | 0 | 0 | 0 | 106.6 | F462 L692 A695 S699 I873 L940 | F462-I697 HydrophobicContact CB-CG2 4.29Å; L692-I697 CarbonylContact C-O 3.43Å; L692-I697 HydrophobicContact CB-CB 4.26Å; L692-I697 HydrophobicContact CD2-CB 4.43Å; L692-I697 HydrophobicContact CD2-CD1 3.85Å; L692-I697 HydrophobicContact CD2-CG2 4.43Å; L692-I697 PolarHBondContact O-N 2.96Å; A695-I697 HydrophobicContact CB-CD1 4.02Å; A695-I697 HydrophobicContact CB-CG1 4.3Å; A695-I697 PolarHBondContact O-N 3.26Å; I697-S699 PolarHBondContact O-N 3.06Å; I697-I873 HydrophobicContact CD1-CD1 3.78Å; I697-I873 HydrophobicContact CD1-CG2 4.15Å; I697-L940 HydrophobicContact CD1-CD2 3.84Å |
| 698 | R | 92.4 | Very high | 90.6 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 17% | 0.174 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 125.6 | -179.3 | 176 | -177.7 | 174.2 | -158.5 | 5.6 | 109.5 | S460 V461 F462 V700 L798 M799 A801 | S460-R698 PolarHBondContact O-N 3.11Å; S460-R698 VanDerWaalsContact O-N 3.1Å; V461-R698 CarbonylContact C-O 3.59Å; V461-R698 VanDerWaalsContact CA-O 3.25Å; V461-R698 WeakPolarHBondContact CA-O 3.41Å; V461-R698 HydrophobicContact CG2-CB 4.23Å; F462-R698 PolarHBondContact N-O 3.33Å; R698-V700 HydrophobicContact CG-CG2 4.2Å; R698-L798 VanDerWaalsContact CZ-O 3.25Å; R698-L798 PolarHBondContact NH1-O 3.43Å; R698-L798 PolarHBondContact NH2-O 3.01Å; R698-M799 PolarHBondContact NH1-O 2.9Å; R698-M799 VanDerWaalsContact NH1-O 3.11Å; R698-M799 VanDerWaalsContact NH2-C 3.33Å; R698-M799 PolarHBondContact NH2-O 3.24Å; R698-A801 VanDerWaalsContact NH2-C 3.33Å; R698-A801 VanDerWaalsContact NH2-N 3.13Å; R698-A801 PolarHBondContact NH2-O 2.96Å |
| 699 | S | 95.2 | Very high | 90 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.6 | 172.4 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | F462 I697 | F462-S699 CarbonylContact O-C 3.56Å; F462-S699 WeakPolarHBondContact O-CA 3.48Å; I697-S699 PolarHBondContact O-N 3.06Å |
| 700 | V | 95.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.3 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 108 | V461 F462 C463 F464 R698 I702 T802 F804 | V461-V700 HydrophobicContact CG1-CG2 3.78Å; F462-V700 PolarHBondContact O-N 3.23Å; C463-V700 CarbonylContact C-O 3.6Å; C463-V700 VanDerWaalsContact CA-O 3.26Å; C463-V700 WeakPolarHBondContact CA-O 3.5Å; F464-V700 PolarHBondContact N-O 2.96Å; R698-V700 HydrophobicContact CG-CG2 4.2Å; V700-I702 HydrophobicContact CG1-CG1 4.29Å; V700-T802 CarbonylContact C-O 3.5Å; V700-T802 WeakPolarHBondContact CA-O 3.09Å; V700-F804 HydrophobicContact CG1-CD2 3.63Å; V700-F804 HydrophobicContact CG1-CE2 3.65Å |
| 701 | M | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.7 | 173.6 | -176.3 | -173.5 | -71.2 | 0 | 0 | 109.6 | F464 K466 L470 T703 A710 V713 A714 M719 T802 F804 | F464-M701 WeakPolarHBondContact O-CA 3.45Å; K466-M701 HydrophobicContact CB-CG 4.36Å; K466-M701 HydrophobicContact CB-SD 4.24Å; K466-M701 HydrophobicContact CG-CE 4.33Å; K466-M701 HydrophobicContact CG-SD 4.06Å; L470-M701 HydrophobicContact CD1-CE 3.66Å; L470-M701 HydrophobicContact CD1-CG 4.39Å; M701-T703 HydrophobicContact SD-CG2 4.4Å; M701-A710 HydrophobicContact SD-CB 3.92Å; M701-V713 HydrophobicContact CE-CB 3.97Å; M701-V713 HydrophobicContact CE-CG1 3.63Å; M701-A714 HydrophobicContact CE-CB 3.96Å; M701-M719 HydrophobicContact CB-CE 4.21Å; M701-M719 HydrophobicContact CB-SD 4.1Å; M701-M719 HydrophobicContact CE-SD 3.87Å; M701-T802 PolarHBondContact N-O 3.27Å; M701-F804 PolarHBondContact O-N 2.99Å |
| 702 | I | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.3 | 174.1 | -50.9 | 174.9 | 0 | 0 | 0 | 106.8 | C463 F464 D465 V700 F804 M807 K812 L815 M828 | C463-I702 HydrophobicContact CB-CD1 3.62Å; C463-I702 HydrophobicContact CB-CG1 4.3Å; F464-I702 PolarHBondContact O-N 2.72Å; D465-I702 WeakPolarHBondContact CA-O 3.29Å; V700-I702 HydrophobicContact CG1-CG1 4.29Å; I702-F804 CarbonylContact C-O 3.51Å; I702-F804 WeakPolarHBondContact CA-O 3.4Å; I702-F804 HydrophobicContact CG2-CB 4.49Å; I702-M807 HydrophobicContact CG2-CB 4.21Å; I702-M807 HydrophobicContact CG2-CG 4.12Å; I702-K812 HydrophobicContact CG2-CB 4.1Å; I702-K812 HydrophobicContact CG2-CD 3.88Å; I702-K812 HydrophobicContact CG2-CG 3.62Å; I702-L815 HydrophobicContact CD1-CD2 3.61Å; I702-L815 HydrophobicContact CD1-CG 4.34Å; I702-L815 HydrophobicContact CG1-CD2 3.75Å; I702-L815 HydrophobicContact CG2-CD2 4.41Å; I702-M828 HydrophobicContact CD1-SD 4.29Å |
| 703 | T | 88.3 | Confident | 89 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | trans | -148.8 | 156.4 | -175.9 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | K466 M701 D705 A710 F804 A805 R806 M807 | K466-T703 HydrophobicContact CB-CG2 4.34Å; K466-T703 WeakPolarHBondContact CB-OG1 3.47Å; M701-T703 HydrophobicContact SD-CG2 4.4Å; T703-D705 VanDerWaalsContact C-N 3.31Å; T703-D705 HydrophobicContact CG2-CB 4.13Å; T703-D705 PolarHBondContact OG1-N 3.08Å; T703-A710 HydrophobicContact CG2-CB 3.68Å; T703-F804 PolarHBondContact N-O 3.04Å; T703-A805 HydrophobicContact CG2-CB 4.32Å; T703-A805 CarbonylContact O-C 3.44Å; T703-A805 VanDerWaalsContact O-C 3.27Å; T703-A805 WeakPolarHBondContact O-CA 3.48Å; T703-R806 PolarHBondContact O-N 3.41Å; T703-M807 PolarHBondContact O-N 3.26Å | ||
| 704 | G | 81.2 | Confident | 88.9 | Confident | 46 Ų | 46 | 26.7 Ų | 26.7 | 47% | 0.474 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -79.4 | -9.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R806 | G704-R806 WeakPolarHBondContact O-CA 3.41Š|
| 705 | D | 78.8 | Confident | 88.9 | Confident | 27 Ų | 27 | 24.4 Ų | 24.4 | 14% | 0.144 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -75.2 | 171.9 | -174 | -81.1 | 4.2 | 0 | 0 | 0 | 114.3 | K466 T703 A805 R806 | K466-D705 WeakPolarHBondContact CD-OD2 3.48Å; K466-D705 WeakPolarHBondContact CE-OD2 3.43Å; K466-D705 IonicContact NZ-OD2 3.16Å; K466-D705 PolarHBondContact NZ-OD2 2.96Å; T703-D705 VanDerWaalsContact C-N 3.31Å; T703-D705 HydrophobicContact CG2-CB 4.13Å; T703-D705 PolarHBondContact OG1-N 3.08Å; D705-A805 WeakPolarHBondContact O-CB 3.47Å; D705-R806 VanDerWaalsContact O-CG 3.31Å; D705-R806 WeakPolarHBondContact O-CG 3.33Å; D705-R806 PolarHBondContact O-N 3.29Å |
| 706 | N | 81.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 27.1 Ų | 27.1 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | trans | -60.2 | 142.2 | 172.4 | -167.4 | -28.2 | 0 | 0 | 0 | 110.8 | L708 T709 A710 | N706-L708 VanDerWaalsContact C-N 3.3Å; N706-L708 PolarHBondContact O-N 3.05Å; N706-L708 PolarHBondContact OD1-N 3.3Å; N706-T709 PolarHBondContact O-N 3.46Å; N706-A710 WeakPolarHBondContact O-CB 3.41Å; N706-A710 PolarHBondContact O-N 3.16Å | ||
| 707 | I | 86.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 20.4 Ų | 20.4 | 13% | 0.133 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.3 | -37.2 | -178.5 | -159.9 | 167 | 0 | 0 | 0 | 113 | A710 V711 F728 A777 N779 A805 | I707-A710 PolarHBondContact O-N 3.48Å; I707-V711 WeakPolarHBondContact O-CB 3.38Å; I707-V711 VanDerWaalsContact O-CG2 3.24Å; I707-V711 WeakPolarHBondContact O-CG2 3.39Å; I707-V711 PolarHBondContact O-N 2.89Å; I707-F728 HydrophobicContact CD1-CD1 3.64Å; I707-F728 HydrophobicContact CD1-CE1 3.94Å; I707-F728 HydrophobicContact CG1-CD1 4.18Å; I707-F728 HydrophobicContact CG1-CE1 3.95Å; I707-F728 HydrophobicContact CG2-CE1 4.17Å; I707-A777 HydrophobicContact CD1-CB 3.89Å; I707-A777 HydrophobicContact CG1-CB 4.02Å; I707-N779 HydrophobicContact CD1-CB 4.49Å; I707-A805 VanDerWaalsContact CA-CB 3.45Å; I707-A805 HydrophobicContact CB-CB 3.76Å; I707-A805 HydrophobicContact CG1-CB 3.89Å |
| 708 | L | 85 | Confident | 88.7 | Confident | 40 Ų | 40 | 27.7 Ų | 27.7 | 21% | 0.209 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -44.4 | 179.1 | -63.5 | 177.2 | 0 | 0 | 0 | 111.5 | N706 A710 V711 N712 F728 | N706-L708 VanDerWaalsContact C-N 3.3Å; N706-L708 PolarHBondContact O-N 3.05Å; N706-L708 PolarHBondContact OD1-N 3.3Å; L708-A710 VanDerWaalsContact C-N 3.35Å; L708-A710 PolarHBondContact O-N 3.33Å; L708-V711 PolarHBondContact O-N 2.83Å; L708-N712 PolarHBondContact O-N 2.91Å; L708-F728 HydrophobicContact CD2-CE1 4.46Å; L708-F728 HydrophobicContact CD2-CZ 3.93Å |
| 709 | T | 83.1 | Confident | 88.6 | Confident | 9 Ų | 9 | 26.1 Ų | 26.1 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.3 | -48.6 | 0 | 0 | 0 | 0 | 111.1 | N706 V711 N712 V713 | N706-T709 PolarHBondContact O-N 3.46Å; T709-V711 VanDerWaalsContact C-N 3.35Å; T709-V711 PolarHBondContact O-N 2.81Å; T709-N712 PolarHBondContact O-N 3.32Å; T709-V713 WeakPolarHBondContact O-CG2 3.41Å; T709-V713 PolarHBondContact O-N 2.97Å |
| 710 | A | 87.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M701 T703 N706 I707 L708 V713 A714 V803 A805 | M701-A710 HydrophobicContact SD-CB 3.92Å; T703-A710 HydrophobicContact CG2-CB 3.68Å; N706-A710 WeakPolarHBondContact O-CB 3.41Å; N706-A710 PolarHBondContact O-N 3.16Å; I707-A710 PolarHBondContact O-N 3.48Å; L708-A710 VanDerWaalsContact C-N 3.35Å; L708-A710 PolarHBondContact O-N 3.33Å; A710-V713 PolarHBondContact O-N 2.91Å; A710-A714 VanDerWaalsContact O-CB 3.28Å; A710-A714 WeakPolarHBondContact O-CB 3.47Å; A710-A714 PolarHBondContact O-N 2.99Å; A710-V803 HydrophobicContact CB-CG1 3.54Å; A710-A805 HydrophobicContact CB-CB 4.14Å |
| 711 | V | 89.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | I707 L708 T709 A714 K715 V726 F728 A777 V803 | I707-V711 WeakPolarHBondContact O-CB 3.38Å; I707-V711 VanDerWaalsContact O-CG2 3.24Å; I707-V711 WeakPolarHBondContact O-CG2 3.39Å; I707-V711 PolarHBondContact O-N 2.89Å; L708-V711 PolarHBondContact O-N 2.83Å; T709-V711 VanDerWaalsContact C-N 3.35Å; T709-V711 PolarHBondContact O-N 2.81Å; V711-A714 PolarHBondContact O-N 2.94Å; V711-K715 HydrophobicContact CG1-CD 4.33Å; V711-K715 WeakPolarHBondContact O-CG 3.39Å; V711-K715 PolarHBondContact O-N 2.8Å; V711-V726 HydrophobicContact CG1-CG1 4.46Å; V711-V726 HydrophobicContact CG1-CG2 4.04Å; V711-V726 HydrophobicContact CG2-CG1 4.04Å; V711-F728 HydrophobicContact CG2-CE1 4.36Å; V711-A777 HydrophobicContact CG2-CB 3.97Å; V711-V803 HydrophobicContact CG2-CG1 4.34Å; V711-V803 HydrophobicContact CG2-CG2 4.36Å |
| 712 | N | 88.3 | Confident | 86.9 | Confident | 45 Ų | 45 | 31.9 Ų | 31.9 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.3 | -172.6 | 48.5 | 0 | 0 | 0 | 112.4 | E639 G640 L708 T709 A714 K715 S716 | E639-N712 PolarHBondContact O-ND2 3.12Å; G640-N712 WeakPolarHBondContact CA-ND2 3.43Å; L708-N712 PolarHBondContact O-N 2.91Å; T709-N712 PolarHBondContact O-N 3.32Å; N712-A714 VanDerWaalsContact C-N 3.34Å; N712-K715 PolarHBondContact O-N 3.17Å; N712-S716 WeakPolarHBondContact O-CB 3.23Å; N712-S716 PolarHBondContact O-N 2.93Å; N712-S716 PolarHBondContact O-OG 3.39Å |
| 713 | V | 89.2 | Confident | 86.2 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 174 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | K466 T471 V681 M701 T709 A710 K715 S716 C717 | K466-V713 HydrophobicContact CD-CG2 4.32Å; K466-V713 HydrophobicContact CG-CB 4.47Å; K466-V713 HydrophobicContact CG-CG1 4.04Å; T471-V713 HydrophobicContact CG2-CG1 4.06Å; T471-V713 HydrophobicContact CG2-CG2 4.4Å; V681-V713 HydrophobicContact CG2-CG1 4.19Å; M701-V713 HydrophobicContact CE-CB 3.97Å; M701-V713 HydrophobicContact CE-CG1 3.63Å; T709-V713 WeakPolarHBondContact O-CG2 3.41Å; T709-V713 PolarHBondContact O-N 2.97Å; A710-V713 PolarHBondContact O-N 2.91Å; V713-K715 VanDerWaalsContact C-N 3.33Å; V713-K715 PolarHBondContact O-N 3.44Å; V713-S716 PolarHBondContact O-N 3.49Å; V713-C717 WeakPolarHBondContact O-CB 3.36Å; V713-C717 PolarHBondContact O-N 3.24Å; V713-C717 PolarHBondContact O-SG 3.21Å; V713-C717 VanDerWaalsContact O-SG 3.39Å |
| 714 | A | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | M701 A710 V711 N712 R718 M719 V720 V803 | M701-A714 HydrophobicContact CE-CB 3.96Å; A710-A714 VanDerWaalsContact O-CB 3.28Å; A710-A714 WeakPolarHBondContact O-CB 3.47Å; A710-A714 PolarHBondContact O-N 2.99Å; V711-A714 PolarHBondContact O-N 2.94Å; N712-A714 VanDerWaalsContact C-N 3.34Å; A714-R718 PolarHBondContact O-N 3.47Å; A714-M719 HydrophobicContact CB-CB 4.22Å; A714-M719 WeakPolarHBondContact O-CB 3.44Å; A714-M719 PolarHBondContact O-N 3.12Å; A714-V720 HydrophobicContact CB-CG2 4.2Å; A714-V720 PolarHBondContact O-N 3.09Å; A714-V803 HydrophobicContact CB-CG2 3.76Å |
| 715 | K | 90.2 | Very high | 86.1 | Confident | 65 Ų | 65 | 43 Ų | 43 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66 | -44.7 | 172.2 | -71.9 | 177.3 | -177.1 | 170.7 | 0 | 111.2 | V711 N712 V713 C717 R718 V720 E747 | V711-K715 HydrophobicContact CG1-CD 4.33Å; V711-K715 WeakPolarHBondContact O-CG 3.39Å; V711-K715 PolarHBondContact O-N 2.8Å; N712-K715 PolarHBondContact O-N 3.17Å; V713-K715 VanDerWaalsContact C-N 3.33Å; V713-K715 PolarHBondContact O-N 3.44Å; K715-C717 PolarHBondContact O-N 3.35Å; K715-R718 PolarHBondContact O-N 2.92Å; K715-V720 HydrophobicContact CG-CB 4.31Å; K715-V720 HydrophobicContact CG-CG1 4.44Å; K715-E747 IonicContact NZ-OE1 2.79Å; K715-E747 IonicContact NZ-OE2 3.49Å; K715-E747 PolarHBondContact NZ-OE2 2.93Å |
| 716 | S | 89.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 41.9 Ų | 41.9 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 178.8 | -59.9 | 0 | 0 | 0 | 0 | 112.9 | N712 V713 R718 | N712-S716 WeakPolarHBondContact O-CB 3.23Å; N712-S716 PolarHBondContact O-N 2.93Å; N712-S716 PolarHBondContact O-OG 3.39Å; V713-S716 PolarHBondContact O-N 3.49Å; S716-R718 PolarHBondContact O-N 3.23Å |
| 717 | C | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.1 | 174.9 | -68.4 | 0 | 0 | 0 | 0 | 113.7 | V681 I689 V713 K715 M719 | V681-C717 VanDerWaalsContact CG1-SG 3.55Å; I689-C717 WeakPolarHBondContact CB-O 3.32Å; I689-C717 HydrophobicContact CG1-CB 4.45Å; I689-C717 WeakPolarHBondContact CG2-O 3.43Å; V713-C717 WeakPolarHBondContact O-CB 3.36Å; V713-C717 PolarHBondContact O-N 3.24Å; V713-C717 PolarHBondContact O-SG 3.21Å; V713-C717 VanDerWaalsContact O-SG 3.39Å; K715-C717 PolarHBondContact O-N 3.35Å; C717-M719 HydrophobicContact CB-CG 4.08Å; C717-M719 HydrophobicContact CB-SD 4.48Å; C717-M719 PolarHBondContact O-N 3.29Å |
| 718 | R | 89.4 | Confident | 86.9 | Confident | 156 Ų | 156 | 40 Ų | 40 | 59% | 0.589 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 28.6 | -173.3 | -51.8 | 179.3 | -179.4 | 165.6 | 0.9 | 114 | A714 K715 S716 V720 | A714-R718 PolarHBondContact O-N 3.47Å; K715-R718 PolarHBondContact O-N 2.92Å; S716-R718 PolarHBondContact O-N 3.23Å; R718-V720 VanDerWaalsContact C-N 3.27Å |
| 719 | M | 91.1 | Very high | 86.9 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -73.5 | -27.2 | 166.8 | -64.1 | 177.5 | 109.7 | 0 | 0 | 111.2 | F464 L470 I689 M701 A714 C717 T802 | F464-M719 HydrophobicContact CB-CE 4.35Å; F464-M719 HydrophobicContact CD2-CE 3.71Å; F464-M719 HydrophobicContact CE2-CE 4.5Å; F464-M719 HydrophobicContact CG-CE 4.38Å; L470-M719 HydrophobicContact CD1-CE 4.35Å; L470-M719 HydrophobicContact CD1-SD 4.01Å; I689-M719 HydrophobicContact CB-CG 4.49Å; I689-M719 HydrophobicContact CD1-CE 4Å; I689-M719 HydrophobicContact CD1-CG 4.15Å; I689-M719 HydrophobicContact CG1-CG 4.1Å; I689-M719 HydrophobicContact CG2-CB 4.36Å; I689-M719 HydrophobicContact CG2-CG 3.64Å; M701-M719 HydrophobicContact CB-CE 4.21Å; M701-M719 HydrophobicContact CB-SD 4.1Å; M701-M719 HydrophobicContact CE-SD 3.87Å; A714-M719 HydrophobicContact CB-CB 4.22Å; A714-M719 WeakPolarHBondContact O-CB 3.44Å; A714-M719 PolarHBondContact O-N 3.12Å; C717-M719 HydrophobicContact CB-CG 4.08Å; C717-M719 HydrophobicContact CB-SD 4.48Å; C717-M719 PolarHBondContact O-N 3.29Å; M719-T802 HydrophobicContact CB-CG2 4.25Å |
| 720 | V | 89.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -125.8 | 130.1 | 168.7 | -178.7 | 0 | 0 | 0 | 0 | 106.4 | A714 K715 R718 E724 V726 H775 T802 | A714-V720 HydrophobicContact CB-CG2 4.2Å; A714-V720 PolarHBondContact O-N 3.09Å; K715-V720 HydrophobicContact CG-CB 4.31Å; K715-V720 HydrophobicContact CG-CG1 4.44Å; R718-V720 VanDerWaalsContact C-N 3.27Å; V720-E724 WeakPolarHBondContact CA-OE2 3.04Å; V720-E724 HydrophobicContact CG1-CB 3.92Å; V720-V726 HydrophobicContact CG1-CG2 3.97Å; V720-H775 HydrophobicContact CG2-CB 4.24Å; V720-T802 HydrophobicContact CG2-CG2 3.98Å |
| 721 | G | 84 | Confident | 86.9 | Confident | 26 Ų | 26 | 41.6 Ų | 41.6 | 27% | 0.268 | 22% | 0.22 | S | C | . | . | trans | -63.5 | 154.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D723 E724 | G721-D723 PolarHBondContact O-N 2.68Å; G721-E724 PolarHBondContact N-OE2 2.89Å; G721-E724 PolarHBondContact O-N 3.48Å | ||
| 722 | S | 77.9 | Confident | 86.4 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 73% | 0.727 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -32.3 | 177 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 723 | D | 79 | Confident | 85.7 | Confident | 143 Ų | 143 | 45.2 Ų | 45.2 | 77% | 0.765 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.7 | -174 | -51.1 | -15.8 | 0 | 0 | 0 | 112.1 | G721 | G721-D723 PolarHBondContact O-N 2.68Š|
| 724 | E | 82.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 51 Ų | 51 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -83.3 | 136 | -179.6 | -67.1 | 177.4 | 169.8 | 0 | 0 | 110.7 | V720 G721 D773 H775 | V720-E724 WeakPolarHBondContact CA-OE2 3.04Å; V720-E724 HydrophobicContact CG1-CB 3.92Å; G721-E724 PolarHBondContact N-OE2 2.89Å; G721-E724 PolarHBondContact O-N 3.48Å; E724-D773 HydrophobicContact CG-CB 4.43Å; E724-H775 IonicContact OE1-NE2 3.66Å; E724-H775 IonicContact OE2-CD2 2.85Å; E724-H775 PolarHBondContact OE2-CD2 3.47Å; E724-H775 IonicContact OE2-NE2 2.71Å; E724-H775 PolarHBondContact OE2-NE2 2.88Å |
| 725 | K | 83.7 | Confident | 83.2 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 137.9 | -178.3 | -62.8 | -163.3 | -173.2 | -179.1 | 0 | 111.7 | V746 L767 Y774 H775 | K725-V746 HydrophobicContact CD-CG1 4.47Å; K725-L767 HydrophobicContact CD-CD2 4.24Å; K725-Y774 VanDerWaalsContact O-CA 3.29Å; K725-Y774 WeakPolarHBondContact O-CA 3.36Å; K725-H775 PolarHBondContact O-N 2.93Å |
| 726 | V | 86.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.1 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | V711 V720 E747 H775 A777 | V711-V726 HydrophobicContact CG1-CG1 4.46Å; V711-V726 HydrophobicContact CG1-CG2 4.04Å; V711-V726 HydrophobicContact CG2-CG1 4.04Å; V720-V726 HydrophobicContact CG1-CG2 3.97Å; V726-E747 PolarHBondContact O-N 3.23Å; V726-H775 WeakPolarHBondContact CA-O 3.43Å; V726-A777 HydrophobicContact CG1-CB 3.69Å |
| 727 | I | 88.4 | Confident | 79.6 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.9 | 177.3 | -58.2 | 170.2 | 0 | 0 | 0 | 108.1 | F744 V746 Y774 H775 F776 A777 P1127 L1129 | I727-F744 HydrophobicContact CG2-CB 3.87Å; I727-F744 HydrophobicContact CG2-CD1 4.31Å; I727-V746 HydrophobicContact CG1-CG2 4.45Å; I727-Y774 HydrophobicContact CD1-CD2 3.73Å; I727-Y774 HydrophobicContact CD1-CE2 4.44Å; I727-Y774 HydrophobicContact CD1-CG 4.02Å; I727-H775 PolarHBondContact N-O 3.43Å; I727-F776 HydrophobicContact CB-CD1 3.73Å; I727-F776 HydrophobicContact CB-CE1 3.92Å; I727-F776 HydrophobicContact CD1-CE1 4.05Å; I727-F776 HydrophobicContact CG2-CD1 3.91Å; I727-F776 HydrophobicContact CG2-CE1 3.86Å; I727-F776 VanDerWaalsContact O-CA 3.29Å; I727-F776 WeakPolarHBondContact O-CA 3.18Å; I727-A777 PolarHBondContact O-N 2.91Å; I727-P1127 HydrophobicContact CD1-CG 3.82Å; I727-L1129 HydrophobicContact CD1-CD2 4.04Å; I727-L1129 HydrophobicContact CG1-CD2 4.42Å; I727-L1129 HydrophobicContact CG2-CD2 4.13Å |
| 728 | F | 88.4 | Confident | 78.3 | Confident | 27 Ų | 27 | 65 Ų | 65 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.2 | 175.5 | -61.5 | -75.8 | 0 | 0 | 0 | 110.4 | I707 L708 V711 F744 S745 E747 A777 | I707-F728 HydrophobicContact CD1-CD1 3.64Å; I707-F728 HydrophobicContact CD1-CE1 3.94Å; I707-F728 HydrophobicContact CG1-CD1 4.18Å; I707-F728 HydrophobicContact CG1-CE1 3.95Å; I707-F728 HydrophobicContact CG2-CE1 4.17Å; L708-F728 HydrophobicContact CD2-CE1 4.46Å; L708-F728 HydrophobicContact CD2-CZ 3.93Å; V711-F728 HydrophobicContact CG2-CE1 4.36Å; F728-F744 WeakPolarHBondContact O-CA 3.34Å; F728-S745 PolarHBondContact N-O 3.43Å; F728-S745 PolarHBondContact O-N 3.35Å; F728-E747 HydrophobicContact CE2-CB 3.75Å; F728-E747 HydrophobicContact CE2-CG 4.04Å; F728-E747 HydrophobicContact CZ-CB 4.49Å; F728-E747 HydrophobicContact CZ-CG 4.45Å; F728-A777 WeakPolarHBondContact CA-O 3.5Å; F728-A777 HydrophobicContact CD1-CB 3.93Å; F728-A777 HydrophobicContact CE1-CB 4.07Å |
| 729 | V | 86.1 | Confident | 77.5 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.6 | 173.8 | -172 | 0 | 0 | 0 | 0 | 108 | L742 F744 F776 A777 I778 V797 | V729-L742 HydrophobicContact CG1-CD1 3.64Å; V729-F744 HydrophobicContact CB-CE1 4.47Å; V729-F744 HydrophobicContact CG1-CD1 4.42Å; V729-F744 HydrophobicContact CG1-CE1 3.99Å; V729-F744 HydrophobicContact CG2-CD1 3.87Å; V729-F744 HydrophobicContact CG2-CE1 3.79Å; V729-F776 HydrophobicContact CG2-CB 3.82Å; V729-F776 HydrophobicContact CG2-CD1 3.72Å; V729-F776 HydrophobicContact CG2-CE1 4.49Å; V729-F776 HydrophobicContact CG2-CG 3.86Å; V729-A777 PolarHBondContact N-O 2.87Å; V729-I778 HydrophobicContact CB-CD1 4.19Å; V729-I778 HydrophobicContact CB-CG1 3.92Å; V729-I778 HydrophobicContact CB-CG2 4.46Å; V729-I778 HydrophobicContact CG2-CD1 4.15Å; V729-I778 HydrophobicContact CG2-CG1 3.99Å; V729-V797 HydrophobicContact CG2-CG1 4.21Å |
| 730 | I | 85.8 | Confident | 76.9 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 38% | 0.379 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 115.8 | -179.1 | -55.8 | 173.1 | 0 | 0 | 0 | 107.2 | L742 R743 | I730-L742 WeakPolarHBondContact O-CA 3.35Å; I730-R743 PolarHBondContact N-O 2.98Å; I730-R743 PolarHBondContact O-N 3.48Å |
| 731 | A | 83.3 | Confident | 76.5 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S741 L742 S782 A785 | A731-S741 WeakPolarHBondContact CA-O 3.45Å; A731-L742 HydrophobicContact CB-CD1 3.93Å; A731-S782 WeakPolarHBondContact CB-O 3.47Å; A731-S782 PolarHBondContact N-OG 3.49Å; A731-S782 VanDerWaalsContact N-OG 3.14Å; A731-S782 PolarHBondContact O-OG 3.26Å; A731-A785 HydrophobicContact CB-CB 3.97Å |
| 732 | T | 80.6 | Confident | 76.5 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 30% | 0.301 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.6 | 177 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | P740 S741 | T732-P740 WeakPolarHBondContact O-CA 3.39Å; T732-P740 WeakPolarHBondContact O-CB 3.4Å; T732-S741 PolarHBondContact N-O 3Å; T732-S741 PolarHBondContact O-N 2.89Å; T732-S741 PolarHBondContact OG1-N 2.94Å; T732-S741 PolarHBondContact OG1-OG 3.32Å |
| 733 | P | 73.1 | Confident | 76.9 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 168 | 173.1 | 30.7 | -34.1 | 0 | 0 | 0 | 110.9 | S735 A785 | P733-S735 PolarHBondContact O-N 2.84Å; P733-A785 HydrophobicContact CB-CB 4.32Å |
| 734 | H | 66.2 | Low | 77.1 | Confident | 129 Ų | 129 | 56.4 Ų | 56.4 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -65 | 125.5 | 175 | -169.2 | 45.5 | 0 | 0 | 0 | 110.7 | S738 | H734-S738 PolarHBondContact ND1-O 3.17Š|
| 735 | S | 61.3 | Low | 77 | Confident | 57 Ų | 57 | 55 Ų | 55 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -115.5 | 159.1 | 165.8 | 72.2 | 0 | 0 | 0 | 0 | 109.2 | P733 E737 S738 | P733-S735 PolarHBondContact O-N 2.84Å; S735-E737 PolarHBondContact O-N 3.34Å; S735-S738 PolarHBondContact N-O 2.92Å; S735-S738 PolarHBondContact O-N 3.13Å; S735-S738 PolarHBondContact OG-N 3.41Å; S735-S738 PolarHBondContact OG-OG 3.36Å |
| 736 | A | 53.1 | Low | 76.6 | Confident | 114 Ų | 114 | 53.2 Ų | 53.2 | 94% | 0.942 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 737 | E | 52.2 | Low | 75.5 | Confident | 193 Ų | 193 | 56 Ų | 56 | 90% | 0.902 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -3.5 | -178.9 | -61.7 | -176.6 | 166.2 | 0 | 0 | 114.3 | S735 | S735-E737 PolarHBondContact O-N 3.34Š|
| 738 | S | 61.3 | Low | 73.6 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -145.1 | 138.9 | -176.1 | 72.9 | 0 | 0 | 0 | 0 | 115.8 | H734 S735 | H734-S738 PolarHBondContact ND1-O 3.17Å; S735-S738 PolarHBondContact N-O 2.92Å; S735-S738 PolarHBondContact O-N 3.13Å; S735-S738 PolarHBondContact OG-N 3.41Å; S735-S738 PolarHBondContact OG-OG 3.36Å |
| 739 | V | 73.8 | Confident | 71.4 | Confident | 101 Ų | 101 | 64.7 Ų | 64.7 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | trans | -71.2 | 138.5 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | S741 | V739-S741 PolarHBondContact O-N 3.24Š| ||
| 740 | P | 77.2 | Confident | 68.7 | Low | 14 Ų | 14 | 68.8 Ų | 68.8 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | trans | -55.1 | 132.7 | 175.8 | 23.2 | -35.2 | 0 | 0 | 0 | 110.6 | T732 H789 F790 P1135 | T732-P740 WeakPolarHBondContact O-CA 3.39Å; T732-P740 WeakPolarHBondContact O-CB 3.4Å; P740-H789 HydrophobicContact CB-CB 4.38Å; P740-F790 HydrophobicContact CB-CE2 4.13Å; P740-F790 HydrophobicContact CB-CZ 4.14Å; P740-P1135 HydrophobicContact CG-CG 3.85Å; P740-P1135 WeakPolarHBondContact O-CD 3.31Å | ||
| 741 | S | 82.4 | Confident | 66.2 | Low | 37 Ų | 37 | 74.1 Ų | 74.1 | 26% | 0.259 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.5 | -174.1 | 77.9 | 0 | 0 | 0 | 0 | 110.8 | A731 T732 V739 | A731-S741 WeakPolarHBondContact CA-O 3.45Å; T732-S741 PolarHBondContact N-O 3Å; T732-S741 PolarHBondContact O-N 2.89Å; T732-S741 PolarHBondContact OG1-N 2.94Å; T732-S741 PolarHBondContact OG1-OG 3.32Å; V739-S741 PolarHBondContact O-N 3.24Å |
| 742 | L | 83.9 | Confident | 63.4 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.3 | 175.1 | 176.1 | 67.8 | 0 | 0 | 0 | 109.6 | V729 I730 A731 F744 L786 F790 Y793 L1133 | V729-L742 HydrophobicContact CG1-CD1 3.64Å; I730-L742 WeakPolarHBondContact O-CA 3.35Å; A731-L742 HydrophobicContact CB-CD1 3.93Å; L742-F744 HydrophobicContact CD2-CE2 4.24Å; L742-F744 HydrophobicContact CD2-CZ 4.2Å; L742-F744 HydrophobicContact CG-CE2 4.2Å; L742-F744 HydrophobicContact CG-CZ 4.36Å; L742-L786 HydrophobicContact CD1-CD1 3.99Å; L742-L786 HydrophobicContact CD2-CD1 4.15Å; L742-F790 HydrophobicContact CB-CD1 4.37Å; L742-F790 HydrophobicContact CB-CD2 4.46Å; L742-F790 HydrophobicContact CB-CE1 4.07Å; L742-F790 HydrophobicContact CB-CE2 4.18Å; L742-F790 HydrophobicContact CB-CZ 3.97Å; L742-F790 HydrophobicContact CD2-CD1 4.48Å; L742-Y793 HydrophobicContact CD2-CD2 4.21Å; L742-Y793 HydrophobicContact CD2-CG 4.12Å; L742-L1133 HydrophobicContact CB-CB 4.25Å; L742-L1133 HydrophobicContact CD2-CD1 4.15Å; L742-L1133 PolarHBondContact N-O 3.5Å; L742-L1133 PolarHBondContact O-N 3.28Å |
| 743 | R | 85.9 | Confident | 61 | Low | 112 Ų | 112 | 80.6 Ų | 80.6 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 144.5 | -178 | -164 | 179.6 | -153 | 177.6 | 5.7 | 112 | I730 D1130 | I730-R743 PolarHBondContact N-O 2.98Å; I730-R743 PolarHBondContact O-N 3.48Å; R743-D1130 PolarHBondContact NE-O 3.41Å; R743-D1130 PolarHBondContact NH2-O 3.35Å |
| 744 | F | 84.1 | Confident | 59.1 | Low | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.8 | 174 | -60.4 | -87.6 | 0 | 0 | 0 | 109.8 | I727 F728 V729 L742 F776 V797 W1126 P1127 P1128 L1129 D1130 L1133 | I727-F744 HydrophobicContact CG2-CB 3.87Å; I727-F744 HydrophobicContact CG2-CD1 4.31Å; F728-F744 WeakPolarHBondContact O-CA 3.34Å; V729-F744 HydrophobicContact CB-CE1 4.47Å; V729-F744 HydrophobicContact CG1-CD1 4.42Å; V729-F744 HydrophobicContact CG1-CE1 3.99Å; V729-F744 HydrophobicContact CG2-CD1 3.87Å; V729-F744 HydrophobicContact CG2-CE1 3.79Å; L742-F744 HydrophobicContact CD2-CE2 4.24Å; L742-F744 HydrophobicContact CD2-CZ 4.2Å; L742-F744 HydrophobicContact CG-CE2 4.2Å; L742-F744 HydrophobicContact CG-CZ 4.36Å; F744-F776 HydrophobicContact CD1-CD1 4.26Å; F744-F776 AromaticContact CD1-CE1 3.75Å; F744-F776 HydrophobicContact CD1-CE1 3.75Å; F744-F776 HydrophobicContact CD1-CZ 4.32Å; F744-F776 HydrophobicContact CE1-CE1 4.02Å; F744-F776 HydrophobicContact CE1-CZ 4.19Å; F744-V797 HydrophobicContact CE1-CG2 4.17Å; F744-V797 HydrophobicContact CZ-CG2 4.19Å; F744-W1126 HydrophobicContact CE2-CH2 4.27Å; F744-W1126 AromaticContact CZ-CH2 3.81Å; F744-W1126 HydrophobicContact CZ-CH2 3.81Å; F744-W1126 HydrophobicContact CZ-CZ2 4.11Å; F744-P1127 HydrophobicContact CD1-CB 4.15Å; F744-P1127 HydrophobicContact CD2-CB 4.49Å; F744-P1127 HydrophobicContact CE1-CB 4.49Å; F744-P1127 HydrophobicContact CG-CB 4.16Å; F744-P1128 HydrophobicContact CD2-CG 4.06Å; F744-P1128 WeakPolarHBondContact CD2-O 3.29Å; F744-P1128 HydrophobicContact CE2-CG 4.09Å; F744-L1129 HydrophobicContact CB-CD2 4.31Å; F744-D1130 PolarHBondContact O-N 3.18Å; F744-L1133 HydrophobicContact CE2-CD1 4.13Å |
| 745 | S | 80.9 | Confident | 57.1 | Low | 26 Ų | 26 | 89 Ų | 89 | 18% | 0.182 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.4 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | F728 | F728-S745 PolarHBondContact N-O 3.43Å; F728-S745 PolarHBondContact O-N 3.35Å |
| 746 | V | 75.2 | Confident | 55.7 | Low | 42 Ų | 42 | 92 Ų | 92 | 26% | 0.255 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 147.7 | 177.9 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | K725 I727 D748 L1129 | K725-V746 HydrophobicContact CD-CG1 4.47Å; I727-V746 HydrophobicContact CG1-CG2 4.45Å; V746-D748 PolarHBondContact O-N 3.27Å; V746-L1129 HydrophobicContact CG2-CD1 4.15Å; V746-L1129 HydrophobicContact CG2-CD2 3.75Å |
| 747 | E | 62.5 | Low | 55.1 | Low | 64 Ų | 64 | 94 Ų | 94 | 30% | 0.299 | 53% | 0.527 | S | S | . | . | trans | -64.5 | 89.2 | 169 | -168.8 | 177.6 | -154.3 | 0 | 0 | 110.7 | K715 V726 F728 G749 | K715-E747 IonicContact NZ-OE1 2.79Å; K715-E747 IonicContact NZ-OE2 3.49Å; K715-E747 PolarHBondContact NZ-OE2 2.93Å; V726-E747 PolarHBondContact O-N 3.23Å; F728-E747 HydrophobicContact CE2-CB 3.75Å; F728-E747 HydrophobicContact CE2-CG 4.04Å; F728-E747 HydrophobicContact CZ-CB 4.49Å; F728-E747 HydrophobicContact CZ-CG 4.45Å; E747-G749 PolarHBondContact O-N 2.95Å | ||
| 748 | D | 49.5 | Very low | 54.1 | Low | 140 Ų | 140 | 91.4 Ų | 91.4 | 75% | 0.749 | 53% | 0.525 | S | S | * | . | trans | -79 | 102.5 | 169.7 | -92.5 | -11.7 | 0 | 0 | 0 | 109.8 | V746 A750 | V746-D748 PolarHBondContact O-N 3.27Å; D748-A750 PolarHBondContact O-N 3.48Å | ||
| 749 | G | 40.3 | Very low | 52.7 | Low | 72 Ų | 72 | 93.6 Ų | 93.6 | 74% | 0.742 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -61.9 | 122.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E747 | E747-G749 PolarHBondContact O-N 2.95Š|
| 750 | A | 31 | Very low | 51 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | trans | 64.8 | 107 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D748 A752 | D748-A750 PolarHBondContact O-N 3.48Å; A750-A752 PolarHBondContact O-N 2.91Å | ||
| 751 | K | 33.3 | Very low | 49.1 | Very low | 187 Ų | 187 | 97.3 Ų | 97.3 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | trans | -64.4 | 90.5 | 149.9 | -77.9 | -175.7 | 177.8 | -179.4 | 0 | 107.8 | ||||
| 752 | A | 24.7 | Very low | 47.1 | Very low | 79 Ų | 79 | 102.4 Ų | 102.4 | 65% | 0.653 | 59% | 0.592 | S | S | * | * | trans | -56.7 | 142.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | A750 | A750-A752 PolarHBondContact O-N 2.91Š| ||
| 753 | P | 30.4 | Very low | 45.2 | Very low | 111 Ų | 111 | 107.5 Ų | 107.5 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | trans | -60.8 | 147.6 | -172.7 | 26.5 | -32.9 | 0 | 0 | 0 | 110 | T755 | P753-T755 VanDerWaalsContact C-N 3.33Å; P753-T755 PolarHBondContact O-N 3.39Å; P753-T755 PolarHBondContact O-OG1 3.44Å | ||
| 754 | R | 32.1 | Very low | 43.1 | Very low | 257 Ų | 257 | 106 Ų | 106 | 97% | 0.97 | 62% | 0.618 | S | S | * | * | trans | -57.5 | 90.3 | 176.4 | -74.7 | 174.4 | 155 | 167 | -7.9 | 110.6 | ||||
| 755 | T | 25.3 | Very low | 41 | Very low | 122 Ų | 122 | 111.1 Ų | 111.1 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -102.4 | 108.3 | 159.6 | 22.7 | 0 | 0 | 0 | 0 | 108.7 | P753 | P753-T755 VanDerWaalsContact C-N 3.33Å; P753-T755 PolarHBondContact O-N 3.39Å; P753-T755 PolarHBondContact O-OG1 3.44Å | ||
| 756 | T | 30.3 | Very low | 39.1 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | 10.7 | 118.1 | 150.5 | 46.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 757 | L | 40.4 | Very low | 37.7 | Very low | 157 Ų | 157 | 110.6 Ų | 110.6 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 59.7 | 126.5 | 144.5 | -68.9 | 152.4 | 0 | 0 | 0 | 117.6 | ||
| 758 | T | 32.4 | Very low | 37 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 85% | 0.853 | 65% | 0.646 | S | S | * | * | trans | 82.3 | 71.3 | 163.2 | 62.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 759 | S | 31.1 | Very low | 36.5 | Very low | 97 Ų | 97 | 112.2 Ų | 112.2 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | trans | -163.5 | 24.2 | 154.2 | 54.9 | 0 | 0 | 0 | 0 | 117 | P761 | S759-P761 VanDerWaalsContact C-CD 3.49Š| ||
| 760 | S | 38.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -85.7 | -14.8 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 118.4 | ||
| 761 | P | 37.9 | Very low | 37.2 | Very low | 87 Ų | 87 | 111 Ų | 111 | 57% | 0.565 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.1 | -23.9 | -179.5 | 15.3 | -7.2 | 0 | 0 | 0 | 114.5 | S759 L764 Q765 | S759-P761 VanDerWaalsContact C-CD 3.49Å; P761-L764 PolarHBondContact O-N 3.05Å; P761-Q765 PolarHBondContact O-N 3.05Å |
| 762 | L | 39.6 | Very low | 38.3 | Very low | 145 Ų | 145 | 104.6 Ų | 104.6 | 76% | 0.759 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.9 | -33.7 | -171.9 | -117 | 138.8 | 0 | 0 | 0 | 113.4 | G766 | L762-G766 PolarHBondContact O-N 3.16Å; L762-G766 VanDerWaalsContact O-N 3.15Å |
| 763 | I | 44.8 | Very low | 40.5 | Very low | 107 Ų | 107 | 105 Ų | 105 | 55% | 0.549 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.9 | -36.7 | 174.7 | -60.1 | 176.1 | 0 | 0 | 0 | 110.8 | G766 L767 | I763-G766 PolarHBondContact O-N 3.24Å; I763-L767 HydrophobicContact CG2-CD1 4.49Å; I763-L767 PolarHBondContact O-N 3.31Å |
| 764 | L | 41.5 | Very low | 43 | Very low | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.424 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -45.1 | 177.8 | -148.4 | 82.7 | 0 | 0 | 0 | 110.6 | P761 G766 L767 Y768 L1129 | P761-L764 PolarHBondContact O-N 3.05Å; L764-G766 PolarHBondContact O-N 2.92Å; L764-L767 PolarHBondContact O-N 2.81Å; L764-Y768 HydrophobicContact CG-CD2 4.38Å; L764-Y768 HydrophobicContact CG-CE2 4.07Å; L764-Y768 WeakPolarHBondContact O-CD2 3.49Å; L764-Y768 PolarHBondContact O-N 2.88Å; L764-L1129 HydrophobicContact CD1-CB 4.42Å; L764-L1129 HydrophobicContact CD1-CD1 4.07Å |
| 765 | Q | 39.4 | Very low | 45.8 | Very low | 107 Ų | 107 | 90.6 Ų | 90.6 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 178.1 | -133.9 | 174 | -22.9 | 0 | 0 | 112 | P761 Y768 Q769 | P761-Q765 PolarHBondContact O-N 3.05Å; Q765-Y768 PolarHBondContact O-N 2.85Å; Q765-Q769 HydrophobicContact CG-CG 4.44Å; Q765-Q769 WeakPolarHBondContact O-CB 3.18Å; Q765-Q769 WeakPolarHBondContact O-CG 3.49Å; Q765-Q769 PolarHBondContact O-N 3.12Å |
| 766 | G | 40.9 | Very low | 48.9 | Very low | 31 Ų | 31 | 84.9 Ų | 84.9 | 32% | 0.32 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L762 I763 L764 A770 | L762-G766 PolarHBondContact O-N 3.16Å; L762-G766 VanDerWaalsContact O-N 3.15Å; I763-G766 PolarHBondContact O-N 3.24Å; L764-G766 PolarHBondContact O-N 2.92Å; G766-A770 WeakPolarHBondContact O-CB 3.41Å; G766-A770 PolarHBondContact O-N 2.98Å |
| 767 | L | 46 | Very low | 51.9 | Low | 26 Ų | 26 | 79.2 Ų | 79.2 | 14% | 0.136 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 176 | -86.9 | 160.1 | 0 | 0 | 0 | 112.6 | K725 I763 L764 V772 L1129 | K725-L767 HydrophobicContact CD-CD2 4.24Å; I763-L767 HydrophobicContact CG2-CD1 4.49Å; I763-L767 PolarHBondContact O-N 3.31Å; L764-L767 PolarHBondContact O-N 2.81Å; L767-V772 HydrophobicContact CD2-CB 4.28Å; L767-L1129 HydrophobicContact CD1-CD1 3.92Å |
| 768 | Y | 47.8 | Very low | 54.4 | Low | 91 Ų | 91 | 71.8 Ų | 71.8 | 36% | 0.357 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -84.2 | -27.7 | 179.1 | -69 | -63.9 | 0 | 0 | 0 | 114 | L764 Q765 A1124 P1127 | L764-Y768 HydrophobicContact CG-CD2 4.38Å; L764-Y768 HydrophobicContact CG-CE2 4.07Å; L764-Y768 WeakPolarHBondContact O-CD2 3.49Å; L764-Y768 PolarHBondContact O-N 2.88Å; Q765-Y768 PolarHBondContact O-N 2.85Å; Y768-A1124 WeakPolarHBondContact CD1-O 3.35Å; Y768-A1124 WeakPolarHBondContact CE1-O 3.34Å; Y768-P1127 PolarHBondContact OH-O 3.42Å |
| 769 | Q | 38.2 | Very low | 57.2 | Low | 146 Ų | 146 | 67.6 Ų | 67.6 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -94.1 | -25.2 | 179.7 | -73.3 | 179.2 | -42.3 | 0 | 0 | 114.5 | Q765 | Q765-Q769 HydrophobicContact CG-CG 4.44Å; Q765-Q769 WeakPolarHBondContact O-CB 3.18Å; Q765-Q769 WeakPolarHBondContact O-CG 3.49Å; Q765-Q769 PolarHBondContact O-N 3.12Å |
| 770 | A | 37.3 | Very low | 59.8 | Low | 72 Ų | 72 | 63 Ų | 63 | 60% | 0.595 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -99.1 | -3.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | G766 V772 | G766-A770 WeakPolarHBondContact O-CB 3.41Å; G766-A770 PolarHBondContact O-N 2.98Å; A770-V772 VanDerWaalsContact C-N 3.25Å; A770-V772 HydrophobicContact CB-CG2 3.98Å; A770-V772 PolarHBondContact O-N 2.9Å |
| 771 | G | 49.5 | Very low | 62.1 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | trans | 61.9 | 31.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D773 | G771-D773 PolarHBondContact O-N 2.92Š| ||
| 772 | V | 55.4 | Low | 64.5 | Low | 51 Ų | 51 | 62.4 Ų | 62.4 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | trans | -66.4 | 120.4 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | L767 A770 Y774 | L767-V772 HydrophobicContact CD2-CB 4.28Å; A770-V772 VanDerWaalsContact C-N 3.25Å; A770-V772 HydrophobicContact CB-CG2 3.98Å; A770-V772 PolarHBondContact O-N 2.9Å; V772-Y774 PolarHBondContact O-N 3.49Å | ||
| 773 | D | 70.9 | Confident | 67 | Low | 89 Ų | 89 | 55.5 Ų | 55.5 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | trans | -66.2 | 133.4 | 176.2 | -101.1 | -40.9 | 0 | 0 | 0 | 110.3 | E724 G771 K800 | E724-D773 HydrophobicContact CG-CB 4.43Å; G771-D773 PolarHBondContact O-N 2.92Å; D773-K800 IonicContact OD1-NZ 2.85Å; D773-K800 PolarHBondContact OD1-NZ 3.39Å | ||
| 774 | Y | 84.5 | Confident | 69 | Low | 36 Ų | 36 | 51.6 Ų | 51.6 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 154.9 | -177.8 | 65.1 | -91.4 | 0 | 0 | 0 | 111 | K725 I727 V772 F776 K800 P1127 | K725-Y774 VanDerWaalsContact O-CA 3.29Å; K725-Y774 WeakPolarHBondContact O-CA 3.36Å; I727-Y774 HydrophobicContact CD1-CD2 3.73Å; I727-Y774 HydrophobicContact CD1-CE2 4.44Å; I727-Y774 HydrophobicContact CD1-CG 4.02Å; V772-Y774 PolarHBondContact O-N 3.49Å; Y774-F776 HydrophobicContact CD2-CE1 4.29Å; Y774-F776 HydrophobicContact CD2-CZ 4.23Å; Y774-F776 HydrophobicContact CE2-CE1 4.1Å; Y774-F776 HydrophobicContact CE2-CE2 4.02Å; Y774-F776 AromaticContact CE2-CZ 3.61Å; Y774-F776 HydrophobicContact CE2-CZ 3.61Å; Y774-K800 HydrophobicContact CE2-CB 4.34Å; Y774-K800 HydrophobicContact CE2-CG 4.23Å; Y774-P1127 HydrophobicContact CE2-CG 4.23Å |
| 775 | H | 88.9 | Confident | 71.1 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.7 | -178.5 | -71.7 | -84.3 | 0 | 0 | 0 | 111.4 | V720 E724 K725 V726 I727 T802 | V720-H775 HydrophobicContact CG2-CB 4.24Å; E724-H775 IonicContact OE1-NE2 3.66Å; E724-H775 IonicContact OE2-CD2 2.85Å; E724-H775 PolarHBondContact OE2-CD2 3.47Å; E724-H775 IonicContact OE2-NE2 2.71Å; E724-H775 PolarHBondContact OE2-NE2 2.88Å; K725-H775 PolarHBondContact O-N 2.93Å; V726-H775 WeakPolarHBondContact CA-O 3.43Å; I727-H775 PolarHBondContact N-O 3.43Å; H775-T802 PolarHBondContact ND1-OG1 3.45Å |
| 776 | F | 91.9 | Very high | 73.4 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.6 | 171.9 | -59.9 | -59.2 | 0 | 0 | 0 | 112 | I727 V729 F744 Y774 V797 K800 A801 T802 V803 P1127 | I727-F776 HydrophobicContact CB-CD1 3.73Å; I727-F776 HydrophobicContact CB-CE1 3.92Å; I727-F776 HydrophobicContact CD1-CE1 4.05Å; I727-F776 HydrophobicContact CG2-CD1 3.91Å; I727-F776 HydrophobicContact CG2-CE1 3.86Å; I727-F776 VanDerWaalsContact O-CA 3.29Å; I727-F776 WeakPolarHBondContact O-CA 3.18Å; V729-F776 HydrophobicContact CG2-CB 3.82Å; V729-F776 HydrophobicContact CG2-CD1 3.72Å; V729-F776 HydrophobicContact CG2-CE1 4.49Å; V729-F776 HydrophobicContact CG2-CG 3.86Å; F744-F776 HydrophobicContact CD1-CD1 4.26Å; F744-F776 AromaticContact CD1-CE1 3.75Å; F744-F776 HydrophobicContact CD1-CE1 3.75Å; F744-F776 HydrophobicContact CD1-CZ 4.32Å; F744-F776 HydrophobicContact CE1-CE1 4.02Å; F744-F776 HydrophobicContact CE1-CZ 4.19Å; Y774-F776 HydrophobicContact CD2-CE1 4.29Å; Y774-F776 HydrophobicContact CD2-CZ 4.23Å; Y774-F776 HydrophobicContact CE2-CE1 4.1Å; Y774-F776 HydrophobicContact CE2-CE2 4.02Å; Y774-F776 AromaticContact CE2-CZ 3.61Å; Y774-F776 HydrophobicContact CE2-CZ 3.61Å; F776-V797 HydrophobicContact CD2-CG1 4.5Å; F776-K800 HydrophobicContact CD2-CB 3.61Å; F776-K800 HydrophobicContact CE2-CB 3.69Å; F776-K800 PolarHBondContact N-O 3.44Å; F776-A801 HydrophobicContact CB-CB 3.92Å; F776-A801 CarbonylContact O-C 3.43Å; F776-A801 WeakPolarHBondContact O-CA 3.42Å; F776-T802 PolarHBondContact O-N 3.37Å; F776-V803 PolarHBondContact O-N 3.31Å; F776-P1127 HydrophobicContact CE1-CB 4.07Å; F776-P1127 HydrophobicContact CE1-CG 4Å; F776-P1127 HydrophobicContact CZ-CB 3.85Å; F776-P1127 HydrophobicContact CZ-CG 3.94Å |
| 777 | A | 92.7 | Very high | 75.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | I707 V711 V726 I727 F728 V729 V803 | I707-A777 HydrophobicContact CD1-CB 3.89Å; I707-A777 HydrophobicContact CG1-CB 4.02Å; V711-A777 HydrophobicContact CG2-CB 3.97Å; V726-A777 HydrophobicContact CG1-CB 3.69Å; I727-A777 PolarHBondContact O-N 2.91Å; F728-A777 WeakPolarHBondContact CA-O 3.5Å; F728-A777 HydrophobicContact CD1-CB 3.93Å; F728-A777 HydrophobicContact CE1-CB 4.07Å; V729-A777 PolarHBondContact N-O 2.87Å; A777-V803 CarbonylContact C-O 3.51Å; A777-V803 VanDerWaalsContact CA-O 3.32Å; A777-V803 WeakPolarHBondContact CA-O 3.49Å; A777-V803 HydrophobicContact CB-CB 4.05Å |
| 778 | I | 93.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.1 | -172.5 | -41.5 | -173.2 | 0 | 0 | 0 | 109.4 | V729 F783 V797 A801 V803 F804 A805 | V729-I778 HydrophobicContact CB-CD1 4.19Å; V729-I778 HydrophobicContact CB-CG1 3.92Å; V729-I778 HydrophobicContact CB-CG2 4.46Å; V729-I778 HydrophobicContact CG2-CD1 4.15Å; V729-I778 HydrophobicContact CG2-CG1 3.99Å; I778-F783 HydrophobicContact CG2-CB 4.16Å; I778-V797 HydrophobicContact CD1-CG1 3.16Å; I778-V797 HydrophobicContact CG1-CG1 4.42Å; I778-A801 HydrophobicContact CD1-CB 3.97Å; I778-A801 HydrophobicContact CG1-CB 4.41Å; I778-V803 PolarHBondContact N-O 2.94Å; I778-F804 HydrophobicContact CB-CD1 4.29Å; I778-F804 HydrophobicContact CB-CE1 4.5Å; I778-F804 HydrophobicContact CD1-CE1 3.98Å; I778-F804 HydrophobicContact CG1-CE1 4.46Å; I778-F804 WeakPolarHBondContact O-CA 3.5Å; I778-A805 PolarHBondContact O-N 3.32Å |
| 779 | N | 90.5 | Very high | 79 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 157.7 | 171.9 | 68.9 | 17.7 | 0 | 0 | 0 | 111.8 | I707 K781 S782 F783 A805 | I707-N779 HydrophobicContact CD1-CB 4.49Å; N779-K781 VanDerWaalsContact C-N 3.28Å; N779-K781 PolarHBondContact O-N 2.84Å; N779-S782 PolarHBondContact O-N 3.4Å; N779-S782 VanDerWaalsContact O-N 3.13Å; N779-S782 WeakPolarHBondContact OD1-CB 3.41Å; N779-S782 PolarHBondContact OD1-N 3.41Å; N779-S782 PolarHBondContact OD1-OG 3.18Å; N779-F783 PolarHBondContact O-N 3.02Å; N779-A805 CarbonylContact C-O 3.58Å; N779-A805 WeakPolarHBondContact CA-O 3.44Å |
| 780 | G | 86.1 | Confident | 81.2 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.3 | -34.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F783 A784 A805 R806 Q811 | G780-F783 PolarHBondContact O-N 3.23Å; G780-A784 PolarHBondContact O-N 3.3Å; G780-A805 PolarHBondContact N-O 2.9Å; G780-R806 WeakPolarHBondContact CA-O 3.18Å; G780-Q811 PolarHBondContact O-NE2 3.22Å |
| 781 | K | 87.2 | Confident | 83.3 | Confident | 175 Ų | 175 | 38 Ų | 38 | 76% | 0.761 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -66.3 | -45.3 | 176 | -67 | -171.8 | 178.4 | -173.8 | 0 | 112.2 | N779 F783 A784 A785 | N779-K781 VanDerWaalsContact C-N 3.28Å; N779-K781 PolarHBondContact O-N 2.84Å; K781-F783 VanDerWaalsContact C-N 3.32Å; K781-A784 PolarHBondContact O-N 3.46Å; K781-A785 PolarHBondContact O-N 3.27Å; K781-A785 VanDerWaalsContact O-N 3.1Å |
| 782 | S | 89 | Confident | 85 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -34.2 | 176.6 | -58 | 0 | 0 | 0 | 0 | 111.3 | A731 N779 A785 L786 | A731-S782 WeakPolarHBondContact CB-O 3.47Å; A731-S782 PolarHBondContact N-OG 3.49Å; A731-S782 VanDerWaalsContact N-OG 3.14Å; A731-S782 PolarHBondContact O-OG 3.26Å; N779-S782 PolarHBondContact O-N 3.4Å; N779-S782 VanDerWaalsContact O-N 3.13Å; N779-S782 WeakPolarHBondContact OD1-CB 3.41Å; N779-S782 PolarHBondContact OD1-N 3.41Å; N779-S782 PolarHBondContact OD1-OG 3.18Å; S782-A785 PolarHBondContact O-N 3.27Å; S782-L786 WeakPolarHBondContact O-CB 3.42Å; S782-L786 PolarHBondContact O-N 3.48Å |
| 783 | F | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 175.7 | 179.5 | -105.9 | 0 | 0 | 0 | 111.8 | I778 N779 G780 K781 L786 C787 L794 L798 F804 M807 Q811 Q814 L815 | I778-F783 HydrophobicContact CG2-CB 4.16Å; N779-F783 PolarHBondContact O-N 3.02Å; G780-F783 PolarHBondContact O-N 3.23Å; K781-F783 VanDerWaalsContact C-N 3.32Å; F783-L786 WeakPolarHBondContact O-CB 3.33Å; F783-L786 PolarHBondContact O-N 2.98Å; F783-C787 PolarHBondContact O-N 3.01Å; F783-C787 PolarHBondContact O-SG 3.46Å; F783-C787 VanDerWaalsContact O-SG 3.34Å; F783-L794 HydrophobicContact CE2-CD1 4.04Å; F783-L798 HydrophobicContact CE2-CD2 4.11Å; F783-F804 HydrophobicContact CD2-CD1 4.27Å; F783-F804 AromaticContact CD2-CE1 3.99Å; F783-F804 HydrophobicContact CD2-CE1 3.99Å; F783-F804 HydrophobicContact CE2-CE1 4.2Å; F783-M807 HydrophobicContact CB-SD 4.25Å; F783-M807 HydrophobicContact CD1-CE 3.66Å; F783-M807 HydrophobicContact CD1-SD 4.26Å; F783-M807 HydrophobicContact CE1-CE 3.96Å; F783-M807 HydrophobicContact CG-CE 4.13Å; F783-M807 HydrophobicContact CG-SD 4.37Å; F783-Q811 HydrophobicContact CD1-CB 4.43Å; F783-Q814 HydrophobicContact CE1-CG 4.46Å; F783-L815 HydrophobicContact CE1-CB 4.4Å; F783-L815 HydrophobicContact CE2-CD1 4.07Å; F783-L815 HydrophobicContact CZ-CB 4.01Å; F783-L815 HydrophobicContact CZ-CD1 4.16Å |
| 784 | A | 86.9 | Confident | 87.1 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -51.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | G780 K781 L786 C787 D788 | G780-A784 PolarHBondContact O-N 3.3Å; K781-A784 PolarHBondContact O-N 3.46Å; A784-L786 PolarHBondContact O-N 3.4Å; A784-C787 WeakPolarHBondContact O-CB 3.45Å; A784-C787 PolarHBondContact O-N 2.9Å; A784-D788 VanDerWaalsContact O-CG 3.3Å; A784-D788 PolarHBondContact O-N 3.36Å |
| 785 | A | 86 | Confident | 87.2 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -34.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A731 P733 K781 S782 H789 | A731-A785 HydrophobicContact CB-CB 3.97Å; P733-A785 HydrophobicContact CB-CB 4.32Å; K781-A785 PolarHBondContact O-N 3.27Å; K781-A785 VanDerWaalsContact O-N 3.1Å; S782-A785 PolarHBondContact O-N 3.27Å; A785-H789 WeakPolarHBondContact O-CB 3.47Å; A785-H789 PolarHBondContact O-N 3.36Å |
| 786 | L | 87.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 175.6 | -174.2 | 75.9 | 0 | 0 | 0 | 111.7 | L742 S782 F783 A784 F790 L794 V797 | L742-L786 HydrophobicContact CD1-CD1 3.99Å; L742-L786 HydrophobicContact CD2-CD1 4.15Å; S782-L786 WeakPolarHBondContact O-CB 3.42Å; S782-L786 PolarHBondContact O-N 3.48Å; F783-L786 WeakPolarHBondContact O-CB 3.33Å; F783-L786 PolarHBondContact O-N 2.98Å; A784-L786 PolarHBondContact O-N 3.4Å; L786-F790 HydrophobicContact CD1-CB 3.91Å; L786-F790 CarbonylContact O-C 3.6Å; L786-F790 WeakPolarHBondContact O-CA 3.39Å; L786-F790 PolarHBondContact O-N 3.46Å; L786-F790 VanDerWaalsContact O-N 3.17Å; L786-L794 HydrophobicContact CD2-CB 4.48Å; L786-L794 HydrophobicContact CD2-CD1 3.65Å; L786-L794 HydrophobicContact CG-CB 4.3Å; L786-L794 HydrophobicContact CG-CD1 4.05Å; L786-V797 HydrophobicContact CD1-CG2 4.48Å; L786-V797 HydrophobicContact CD2-CB 4.04Å; L786-V797 HydrophobicContact CD2-CG1 3.88Å; L786-V797 HydrophobicContact CD2-CG2 4.29Å |
| 787 | C | 85.8 | Confident | 86.7 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.128 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.3 | -70.7 | 0 | 0 | 0 | 0 | 111.9 | F783 A784 | F783-C787 PolarHBondContact O-N 3.01Å; F783-C787 PolarHBondContact O-SG 3.46Å; F783-C787 VanDerWaalsContact O-SG 3.34Å; A784-C787 WeakPolarHBondContact O-CB 3.45Å; A784-C787 PolarHBondContact O-N 2.9Å |
| 788 | D | 84.8 | Confident | 86.5 | Confident | 115 Ų | 115 | 37.6 Ų | 37.6 | 62% | 0.615 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -81.8 | -41.1 | -170.6 | -60.3 | -21.6 | 0 | 0 | 0 | 112.6 | A784 | A784-D788 VanDerWaalsContact O-CG 3.3Å; A784-D788 PolarHBondContact O-N 3.36Å |
| 789 | H | 81.6 | Confident | 86.1 | Confident | 68 Ų | 68 | 38.5 Ų | 38.5 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -108.1 | -19.1 | -171.8 | -56.2 | -56.1 | 0 | 0 | 0 | 114.3 | P740 A785 P791 | P740-H789 HydrophobicContact CB-CB 4.38Å; A785-H789 WeakPolarHBondContact O-CB 3.47Å; A785-H789 PolarHBondContact O-N 3.36Å; H789-P791 VanDerWaalsContact C-CD 3.44Å |
| 790 | F | 84.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | trans | -132 | 50.5 | -173.6 | -60.9 | -81.3 | 0 | 0 | 0 | 113.9 | P740 L742 L786 E792 Y793 L794 P1135 | P740-F790 HydrophobicContact CB-CE2 4.13Å; P740-F790 HydrophobicContact CB-CZ 4.14Å; L742-F790 HydrophobicContact CB-CD1 4.37Å; L742-F790 HydrophobicContact CB-CD2 4.46Å; L742-F790 HydrophobicContact CB-CE1 4.07Å; L742-F790 HydrophobicContact CB-CE2 4.18Å; L742-F790 HydrophobicContact CB-CZ 3.97Å; L742-F790 HydrophobicContact CD2-CD1 4.48Å; L786-F790 HydrophobicContact CD1-CB 3.91Å; L786-F790 CarbonylContact O-C 3.6Å; L786-F790 WeakPolarHBondContact O-CA 3.39Å; L786-F790 PolarHBondContact O-N 3.46Å; L786-F790 VanDerWaalsContact O-N 3.17Å; F790-E792 PolarHBondContact O-N 3.15Å; F790-E792 VanDerWaalsContact O-N 3.11Å; F790-Y793 HydrophobicContact CB-CD2 4.28Å; F790-Y793 HydrophobicContact CD1-CD2 4.17Å; F790-Y793 PolarHBondContact O-N 3.5Å; F790-Y793 VanDerWaalsContact O-N 3.08Å; F790-L794 PolarHBondContact O-N 3.36Å; F790-P1135 HydrophobicContact CE1-CB 4.13Å | ||
| 791 | P | 82.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 39% | 0.39 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25 | -175.1 | 26.6 | -35.9 | 0 | 0 | 0 | 113.5 | H789 P795 | H789-P791 VanDerWaalsContact C-CD 3.44Å; P791-P795 WeakPolarHBondContact O-CD 3.34Å |
| 792 | E | 83.3 | Confident | 86.4 | Confident | 118 Ų | 118 | 29.9 Ų | 29.9 | 55% | 0.551 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33.9 | 177.5 | -59.9 | -172 | 157.5 | 0 | 0 | 113.1 | F790 T1136 | F790-E792 PolarHBondContact O-N 3.15Å; F790-E792 VanDerWaalsContact O-N 3.11Å; E792-T1136 PolarHBondContact OE2-OG1 3.04Å |
| 793 | Y | 83.5 | Confident | 86.7 | Confident | 40 Ų | 40 | 29.9 Ų | 29.9 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -23.3 | -178.4 | -64.9 | -74.5 | 0 | 0 | 0 | 112.4 | L742 F790 K796 V797 W1126 L1133 | L742-Y793 HydrophobicContact CD2-CD2 4.21Å; L742-Y793 HydrophobicContact CD2-CG 4.12Å; F790-Y793 HydrophobicContact CB-CD2 4.28Å; F790-Y793 HydrophobicContact CD1-CD2 4.17Å; F790-Y793 PolarHBondContact O-N 3.5Å; F790-Y793 VanDerWaalsContact O-N 3.08Å; Y793-K796 HydrophobicContact CD1-CD 4.48Å; Y793-K796 WeakPolarHBondContact O-CB 3.5Å; Y793-K796 PolarHBondContact O-N 3.46Å; Y793-V797 WeakPolarHBondContact O-CG2 3.49Å; Y793-V797 PolarHBondContact O-N 2.93Å; Y793-W1126 AromaticContact CD1-CH2 3.59Å; Y793-W1126 HydrophobicContact CD1-CH2 3.59Å; Y793-W1126 AromaticContact CD1-CZ3 3.64Å; Y793-W1126 HydrophobicContact CD1-CZ3 3.64Å; Y793-W1126 HydrophobicContact CE1-CH2 4.3Å; Y793-W1126 AromaticContact CE1-CZ3 3.86Å; Y793-W1126 HydrophobicContact CE1-CZ3 3.86Å; Y793-W1126 HydrophobicContact CG-CH2 4.49Å; Y793-L1133 HydrophobicContact CE1-CD1 4.07Å |
| 794 | L | 87.3 | Confident | 86.9 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -49.3 | -51.6 | 180 | 176.2 | 70 | 0 | 0 | 0 | 113 | F783 L786 F790 K796 V797 L798 E818 | F783-L794 HydrophobicContact CE2-CD1 4.04Å; L786-L794 HydrophobicContact CD2-CB 4.48Å; L786-L794 HydrophobicContact CD2-CD1 3.65Å; L786-L794 HydrophobicContact CG-CB 4.3Å; L786-L794 HydrophobicContact CG-CD1 4.05Å; F790-L794 PolarHBondContact O-N 3.36Å; L794-K796 VanDerWaalsContact C-N 3.3Å; L794-K796 PolarHBondContact O-N 3.25Å; L794-V797 PolarHBondContact O-N 3.49Å; L794-L798 HydrophobicContact CD1-CD1 3.84Å; L794-L798 HydrophobicContact CD1-CD2 4.31Å; L794-L798 HydrophobicContact CD1-CG 3.84Å; L794-L798 HydrophobicContact CG-CD1 3.85Å; L794-L798 HydrophobicContact CG-CG 4.22Å; L794-L798 WeakPolarHBondContact O-CB 3.29Å; L794-L798 VanDerWaalsContact O-CG 3.26Å; L794-L798 WeakPolarHBondContact O-CG 3.35Å; L794-L798 PolarHBondContact O-N 3.38Å; L794-E818 HydrophobicContact CD2-CG 4.26Å |
| 795 | P | 86.2 | Confident | 87 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.1 | -39.5 | 175.6 | -30.6 | 37.4 | 0 | 0 | 0 | 114.8 | P791 M799 L822 L1116 | P791-P795 WeakPolarHBondContact O-CD 3.34Å; P795-M799 PolarHBondContact O-N 2.98Å; P795-L822 HydrophobicContact CB-CD2 3.7Å; P795-L822 HydrophobicContact CG-CD2 4.17Å; P795-L1116 VanDerWaalsContact C-CD2 3.44Å; P795-L1116 HydrophobicContact CB-CD1 4.48Å; P795-L1116 HydrophobicContact CB-CD2 4.03Å; P795-L1116 WeakPolarHBondContact O-CD2 3.2Å |
| 796 | K | 84.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 33.9 Ų | 33.9 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.4 | -42.8 | -176.8 | -62.7 | 177.8 | -178 | 172.7 | 0 | 110.8 | Y793 L794 M799 L1116 L1120 W1126 | Y793-K796 HydrophobicContact CD1-CD 4.48Å; Y793-K796 WeakPolarHBondContact O-CB 3.5Å; Y793-K796 PolarHBondContact O-N 3.46Å; L794-K796 VanDerWaalsContact C-N 3.3Å; L794-K796 PolarHBondContact O-N 3.25Å; K796-M799 PolarHBondContact O-N 2.68Å; K796-L1116 HydrophobicContact CB-CD2 4.48Å; K796-L1116 HydrophobicContact CG-CD1 4.32Å; K796-L1116 HydrophobicContact CG-CD2 4.23Å; K796-L1116 HydrophobicContact CG-CG 4.48Å; K796-L1120 HydrophobicContact CB-CD1 4.31Å; K796-L1120 HydrophobicContact CD-CD2 4.32Å; K796-L1120 HydrophobicContact CG-CD1 4.46Å; K796-L1120 HydrophobicContact CG-CD2 4.35Å; K796-W1126 HydrophobicContact CB-CH2 4.13Å; K796-W1126 HydrophobicContact CB-CZ2 3.49Å; K796-W1126 VanDerWaalsContact CB-CZ2 3.49Å; K796-W1126 HydrophobicContact CD-CD2 4.41Å; K796-W1126 HydrophobicContact CD-CE3 4.35Å; K796-W1126 HydrophobicContact CD-CH2 3.98Å; K796-W1126 HydrophobicContact CD-CZ2 4Å; K796-W1126 HydrophobicContact CD-CZ3 4.15Å; K796-W1126 HydrophobicContact CG-CZ2 4.4Å |
| 797 | V | 87.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.1 | -49.8 | 177 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | V729 F744 F776 I778 L786 Y793 L794 M799 K800 A801 W1126 | V729-V797 HydrophobicContact CG2-CG1 4.21Å; F744-V797 HydrophobicContact CE1-CG2 4.17Å; F744-V797 HydrophobicContact CZ-CG2 4.19Å; F776-V797 HydrophobicContact CD2-CG1 4.5Å; I778-V797 HydrophobicContact CD1-CG1 3.16Å; I778-V797 HydrophobicContact CG1-CG1 4.42Å; L786-V797 HydrophobicContact CD1-CG2 4.48Å; L786-V797 HydrophobicContact CD2-CB 4.04Å; L786-V797 HydrophobicContact CD2-CG1 3.88Å; L786-V797 HydrophobicContact CD2-CG2 4.29Å; Y793-V797 WeakPolarHBondContact O-CG2 3.49Å; Y793-V797 PolarHBondContact O-N 2.93Å; L794-V797 PolarHBondContact O-N 3.49Å; V797-M799 PolarHBondContact O-N 3.11Å; V797-M799 VanDerWaalsContact O-N 3.07Å; V797-K800 PolarHBondContact O-N 3.16Å; V797-K800 VanDerWaalsContact O-N 3.11Å; V797-A801 WeakPolarHBondContact O-CB 3.34Å; V797-A801 PolarHBondContact O-N 3.35Å; V797-W1126 HydrophobicContact CG2-CZ2 4.35Å |
| 798 | L | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -24.8 | 178.7 | -73.1 | -178 | 0 | 0 | 0 | 113.7 | R698 F783 L794 F804 L815 E818 L819 L822 | R698-L798 VanDerWaalsContact CZ-O 3.25Å; R698-L798 PolarHBondContact NH1-O 3.43Å; R698-L798 PolarHBondContact NH2-O 3.01Å; F783-L798 HydrophobicContact CE2-CD2 4.11Å; L794-L798 HydrophobicContact CD1-CD1 3.84Å; L794-L798 HydrophobicContact CD1-CD2 4.31Å; L794-L798 HydrophobicContact CD1-CG 3.84Å; L794-L798 HydrophobicContact CG-CD1 3.85Å; L794-L798 HydrophobicContact CG-CG 4.22Å; L794-L798 WeakPolarHBondContact O-CB 3.29Å; L794-L798 VanDerWaalsContact O-CG 3.26Å; L794-L798 WeakPolarHBondContact O-CG 3.35Å; L794-L798 PolarHBondContact O-N 3.38Å; L798-F804 HydrophobicContact CD2-CE1 3.98Å; L798-F804 HydrophobicContact CD2-CZ 3.68Å; L798-L815 HydrophobicContact CD2-CD1 3.45Å; L798-L815 VanDerWaalsContact CD2-CD1 3.45Å; L798-E818 HydrophobicContact CD1-CB 3.7Å; L798-L819 HydrophobicContact CB-CD2 4.48Å; L798-L822 HydrophobicContact CB-CD1 3.85Å; L798-L822 HydrophobicContact CD1-CD1 4.16Å |
| 799 | M | 85 | Confident | 86.2 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.1 | -30.1 | 179 | -165.6 | -160.9 | 70.9 | 0 | 0 | 113.6 | R698 P795 K796 V797 L1116 K1117 L1120 | R698-M799 PolarHBondContact NH1-O 2.9Å; R698-M799 VanDerWaalsContact NH1-O 3.11Å; R698-M799 VanDerWaalsContact NH2-C 3.33Å; R698-M799 PolarHBondContact NH2-O 3.24Å; P795-M799 PolarHBondContact O-N 2.98Å; K796-M799 PolarHBondContact O-N 2.68Å; V797-M799 PolarHBondContact O-N 3.11Å; V797-M799 VanDerWaalsContact O-N 3.07Å; M799-L1116 HydrophobicContact CB-CD2 4.16Å; M799-L1116 HydrophobicContact SD-CB 4.42Å; M799-L1116 HydrophobicContact SD-CD2 4.36Å; M799-K1117 WeakPolarHBondContact SD-CA 3.4Å; M799-K1117 HydrophobicContact SD-CB 3.7Å; M799-K1117 HydrophobicContact SD-CG 4.29Å; M799-L1120 HydrophobicContact CE-CB 4.24Å; M799-L1120 HydrophobicContact CE-CD1 3.33Å; M799-L1120 HydrophobicContact CE-CG 4.41Å; M799-L1120 HydrophobicContact SD-CD1 3.72Å |
| 800 | K | 85.8 | Confident | 86.1 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 20% | 0.2 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -118.1 | -6.6 | -176.8 | -80 | -74.1 | -161.3 | 163.6 | 0 | 114.1 | D773 Y774 F776 V797 T802 | D773-K800 IonicContact OD1-NZ 2.85Å; D773-K800 PolarHBondContact OD1-NZ 3.39Å; Y774-K800 HydrophobicContact CE2-CB 4.34Å; Y774-K800 HydrophobicContact CE2-CG 4.23Å; F776-K800 HydrophobicContact CD2-CB 3.61Å; F776-K800 HydrophobicContact CE2-CB 3.69Å; F776-K800 PolarHBondContact N-O 3.44Å; V797-K800 PolarHBondContact O-N 3.16Å; V797-K800 VanDerWaalsContact O-N 3.11Å; K800-T802 PolarHBondContact O-N 2.88Å |
| 801 | A | 90.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 116.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R698 F776 I778 V797 F804 | R698-A801 VanDerWaalsContact NH2-C 3.33Å; R698-A801 VanDerWaalsContact NH2-N 3.13Å; R698-A801 PolarHBondContact NH2-O 2.96Å; F776-A801 HydrophobicContact CB-CB 3.92Å; F776-A801 CarbonylContact O-C 3.43Å; F776-A801 WeakPolarHBondContact O-CA 3.42Å; I778-A801 HydrophobicContact CD1-CB 3.97Å; I778-A801 HydrophobicContact CG1-CB 4.41Å; V797-A801 WeakPolarHBondContact O-CB 3.34Å; V797-A801 PolarHBondContact O-N 3.35Å; A801-F804 HydrophobicContact CB-CE1 4.24Å; A801-F804 HydrophobicContact CB-CE2 3.73Å; A801-F804 HydrophobicContact CB-CZ 3.42Å; A801-F804 VanDerWaalsContact CB-CZ 3.42Å |
| 802 | T | 93.5 | Very high | 86.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -29.2 | -180 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | V700 M701 M719 V720 H775 F776 K800 | V700-T802 CarbonylContact C-O 3.5Å; V700-T802 WeakPolarHBondContact CA-O 3.09Å; M701-T802 PolarHBondContact N-O 3.27Å; M719-T802 HydrophobicContact CB-CG2 4.25Å; V720-T802 HydrophobicContact CG2-CG2 3.98Å; H775-T802 PolarHBondContact ND1-OG1 3.45Å; F776-T802 PolarHBondContact O-N 3.37Å; K800-T802 PolarHBondContact O-N 2.88Å |
| 803 | V | 94.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 120.5 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | A710 V711 A714 F776 A777 I778 A805 | A710-V803 HydrophobicContact CB-CG1 3.54Å; V711-V803 HydrophobicContact CG2-CG1 4.34Å; V711-V803 HydrophobicContact CG2-CG2 4.36Å; A714-V803 HydrophobicContact CB-CG2 3.76Å; F776-V803 PolarHBondContact O-N 3.31Å; A777-V803 CarbonylContact C-O 3.51Å; A777-V803 VanDerWaalsContact CA-O 3.32Å; A777-V803 WeakPolarHBondContact CA-O 3.49Å; A777-V803 HydrophobicContact CB-CB 4.05Å; I778-V803 PolarHBondContact N-O 2.94Å; V803-A805 HydrophobicContact CG1-CB 4.49Å |
| 804 | F | 94.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.9 | 170.2 | -64.7 | -96.3 | 0 | 0 | 0 | 108.1 | V700 M701 I702 T703 I778 F783 L798 A801 M807 L815 | V700-F804 HydrophobicContact CG1-CD2 3.63Å; V700-F804 HydrophobicContact CG1-CE2 3.65Å; M701-F804 PolarHBondContact O-N 2.99Å; I702-F804 CarbonylContact C-O 3.51Å; I702-F804 WeakPolarHBondContact CA-O 3.4Å; I702-F804 HydrophobicContact CG2-CB 4.49Å; T703-F804 PolarHBondContact N-O 3.04Å; I778-F804 HydrophobicContact CB-CD1 4.29Å; I778-F804 HydrophobicContact CB-CE1 4.5Å; I778-F804 HydrophobicContact CD1-CE1 3.98Å; I778-F804 HydrophobicContact CG1-CE1 4.46Å; I778-F804 WeakPolarHBondContact O-CA 3.5Å; F783-F804 HydrophobicContact CD2-CD1 4.27Å; F783-F804 AromaticContact CD2-CE1 3.99Å; F783-F804 HydrophobicContact CD2-CE1 3.99Å; F783-F804 HydrophobicContact CE2-CE1 4.2Å; L798-F804 HydrophobicContact CD2-CE1 3.98Å; L798-F804 HydrophobicContact CD2-CZ 3.68Å; A801-F804 HydrophobicContact CB-CE1 4.24Å; A801-F804 HydrophobicContact CB-CE2 3.73Å; A801-F804 HydrophobicContact CB-CZ 3.42Å; A801-F804 VanDerWaalsContact CB-CZ 3.42Å; F804-M807 HydrophobicContact CB-CE 4.4Å; F804-M807 HydrophobicContact CB-CG 3.85Å; F804-M807 HydrophobicContact CB-SD 4.12Å; F804-M807 HydrophobicContact CD1-CE 4.46Å; F804-L815 HydrophobicContact CB-CD2 4.06Å; F804-L815 HydrophobicContact CD1-CD1 4.3Å; F804-L815 HydrophobicContact CD1-CD2 3.76Å; F804-L815 HydrophobicContact CD2-CD2 3.58Å; F804-L815 HydrophobicContact CE1-CD1 3.74Å; F804-L815 HydrophobicContact CE1-CD2 4.02Å; F804-L815 HydrophobicContact CE2-CD1 4.11Å; F804-L815 HydrophobicContact CE2-CD2 3.87Å; F804-L815 HydrophobicContact CG-CD2 3.52Å; F804-L815 HydrophobicContact CZ-CD1 3.63Å; F804-L815 HydrophobicContact CZ-CD2 4.06Å |
| 805 | A | 88.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 160.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T703 D705 I707 A710 I778 N779 G780 V803 M807 | T703-A805 HydrophobicContact CG2-CB 4.32Å; T703-A805 CarbonylContact O-C 3.44Å; T703-A805 VanDerWaalsContact O-C 3.27Å; T703-A805 WeakPolarHBondContact O-CA 3.48Å; D705-A805 WeakPolarHBondContact O-CB 3.47Å; I707-A805 VanDerWaalsContact CA-CB 3.45Å; I707-A805 HydrophobicContact CB-CB 3.76Å; I707-A805 HydrophobicContact CG1-CB 3.89Å; A710-A805 HydrophobicContact CB-CB 4.14Å; I778-A805 PolarHBondContact O-N 3.32Å; N779-A805 CarbonylContact C-O 3.58Å; N779-A805 WeakPolarHBondContact CA-O 3.44Å; G780-A805 PolarHBondContact N-O 2.9Å; V803-A805 HydrophobicContact CG1-CB 4.49Å; A805-M807 PolarHBondContact O-N 2.87Å |
| 806 | R | 85.1 | Confident | 87.7 | Confident | 112 Ų | 112 | 28.5 Ų | 28.5 | 42% | 0.423 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 47.8 | 40.3 | -173.3 | -63.5 | -169.5 | 173.4 | -179.8 | -1.2 | 113.4 | T703 G704 D705 G780 | T703-R806 PolarHBondContact O-N 3.41Å; G704-R806 WeakPolarHBondContact O-CA 3.41Å; D705-R806 VanDerWaalsContact O-CG 3.31Å; D705-R806 WeakPolarHBondContact O-CG 3.33Å; D705-R806 PolarHBondContact O-N 3.29Å; G780-R806 WeakPolarHBondContact CA-O 3.18Å |
| 807 | M | 83.7 | Confident | 87.9 | Confident | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.044 | 14% | 0.143 | C | C | . | . | trans | -86.3 | 130.1 | 179.9 | -64.4 | -70.5 | -76.5 | 0 | 0 | 110.8 | I702 T703 F783 F804 A805 Q811 K812 L815 | I702-M807 HydrophobicContact CG2-CB 4.21Å; I702-M807 HydrophobicContact CG2-CG 4.12Å; T703-M807 PolarHBondContact O-N 3.26Å; F783-M807 HydrophobicContact CB-SD 4.25Å; F783-M807 HydrophobicContact CD1-CE 3.66Å; F783-M807 HydrophobicContact CD1-SD 4.26Å; F783-M807 HydrophobicContact CE1-CE 3.96Å; F783-M807 HydrophobicContact CG-CE 4.13Å; F783-M807 HydrophobicContact CG-SD 4.37Å; F804-M807 HydrophobicContact CB-CE 4.4Å; F804-M807 HydrophobicContact CB-CG 3.85Å; F804-M807 HydrophobicContact CB-SD 4.12Å; F804-M807 HydrophobicContact CD1-CE 4.46Å; A805-M807 PolarHBondContact O-N 2.87Å; M807-Q811 HydrophobicContact CE-CB 3.58Å; M807-Q811 WeakPolarHBondContact CE-O 3.22Å; M807-Q811 HydrophobicContact SD-CB 4.29Å; M807-K812 HydrophobicContact CB-CG 4.21Å; M807-L815 HydrophobicContact CE-CB 4.33Å; M807-L815 HydrophobicContact CE-CD2 4.24Å | ||
| 808 | A | 80.3 | Confident | 88.1 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | trans | -73.3 | 156.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D810 Q811 K812 | A808-D810 VanDerWaalsContact C-N 3.3Å; A808-D810 PolarHBondContact O-N 3.5Å; A808-Q811 HydrophobicContact CB-CG 4.11Å; A808-Q811 WeakPolarHBondContact O-CA 3.42Å; A808-Q811 WeakPolarHBondContact O-CB 3.24Å; A808-Q811 PolarHBondContact O-N 3.21Å; A808-K812 WeakPolarHBondContact O-CG 3.34Å; A808-K812 PolarHBondContact O-N 3.29Å | ||
| 809 | P | 78.8 | Confident | 88.2 | Confident | 56 Ų | 56 | 29.6 Ų | 29.6 | 36% | 0.364 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -50.6 | -43.3 | -179.9 | -30 | 37 | 0 | 0 | 0 | 114.4 | Q811 K812 T813 N834 | P809-Q811 VanDerWaalsContact C-N 3.32Å; P809-Q811 PolarHBondContact O-N 3.39Å; P809-K812 WeakPolarHBondContact O-CB 3.35Å; P809-K812 PolarHBondContact O-N 3.1Å; P809-K812 VanDerWaalsContact O-N 3.16Å; P809-T813 PolarHBondContact O-N 3.47Å; P809-T813 PolarHBondContact O-OG1 3.25Å; P809-N834 HydrophobicContact CG-CB 4.32Å |
| 810 | D | 79.5 | Confident | 88.4 | Confident | 110 Ų | 110 | 31.2 Ų | 31.2 | 59% | 0.588 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -66.4 | -36.6 | 178.5 | -58.8 | -42 | 0 | 0 | 0 | 112.3 | A808 K812 T813 Q814 | A808-D810 VanDerWaalsContact C-N 3.3Å; A808-D810 PolarHBondContact O-N 3.5Å; D810-K812 VanDerWaalsContact C-N 3.29Å; D810-K812 PolarHBondContact O-N 2.86Å; D810-T813 WeakPolarHBondContact O-CB 3.34Å; D810-T813 PolarHBondContact O-N 3.45Å; D810-T813 VanDerWaalsContact O-N 3.17Å; D810-Q814 WeakPolarHBondContact O-CB 3.48Å; D810-Q814 PolarHBondContact O-N 3.43Å |
| 811 | Q | 87.2 | Confident | 88.5 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 175.9 | -58.3 | -177.1 | -41.9 | 0 | 0 | 111.4 | G780 F783 M807 A808 P809 T813 Q814 L815 | G780-Q811 PolarHBondContact O-NE2 3.22Å; F783-Q811 HydrophobicContact CD1-CB 4.43Å; M807-Q811 HydrophobicContact CE-CB 3.58Å; M807-Q811 WeakPolarHBondContact CE-O 3.22Å; M807-Q811 HydrophobicContact SD-CB 4.29Å; A808-Q811 HydrophobicContact CB-CG 4.11Å; A808-Q811 WeakPolarHBondContact O-CA 3.42Å; A808-Q811 WeakPolarHBondContact O-CB 3.24Å; A808-Q811 PolarHBondContact O-N 3.21Å; P809-Q811 VanDerWaalsContact C-N 3.32Å; P809-Q811 PolarHBondContact O-N 3.39Å; Q811-T813 VanDerWaalsContact C-N 3.34Å; Q811-Q814 PolarHBondContact O-N 3.01Å; Q811-L815 WeakPolarHBondContact O-CB 3.4Å; Q811-L815 PolarHBondContact O-N 3.34Å |
| 812 | K | 88.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 172.2 | -53.2 | -163.7 | -175.3 | -176.6 | 0 | 110.3 | D465 I702 M807 A808 P809 D810 L815 V816 D835 A838 | D465-K812 IonicContact OD1-NZ 2.86Å; D465-K812 PolarHBondContact OD1-NZ 2.86Å; I702-K812 HydrophobicContact CG2-CB 4.1Å; I702-K812 HydrophobicContact CG2-CD 3.88Å; I702-K812 HydrophobicContact CG2-CG 3.62Å; M807-K812 HydrophobicContact CB-CG 4.21Å; A808-K812 WeakPolarHBondContact O-CG 3.34Å; A808-K812 PolarHBondContact O-N 3.29Å; P809-K812 WeakPolarHBondContact O-CB 3.35Å; P809-K812 PolarHBondContact O-N 3.1Å; P809-K812 VanDerWaalsContact O-N 3.16Å; D810-K812 VanDerWaalsContact C-N 3.29Å; D810-K812 PolarHBondContact O-N 2.86Å; K812-L815 PolarHBondContact O-N 3.47Å; K812-V816 WeakPolarHBondContact O-CG2 3.21Å; K812-V816 PolarHBondContact O-N 3.45Å; K812-V816 VanDerWaalsContact O-N 3.14Å; K812-D835 WeakPolarHBondContact CD-OD1 3.45Å; K812-D835 WeakPolarHBondContact CE-OD1 3.46Å; K812-D835 IonicContact NZ-OD1 2.89Å; K812-D835 PolarHBondContact NZ-OD1 2.91Å; K812-D835 IonicContact NZ-OD2 3.76Å; K812-A838 HydrophobicContact CB-CB 3.97Å |
| 813 | T | 88.3 | Confident | 88 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | P809 D810 Q811 L815 V816 K817 A838 A841 | P809-T813 PolarHBondContact O-N 3.47Å; P809-T813 PolarHBondContact O-OG1 3.25Å; D810-T813 WeakPolarHBondContact O-CB 3.34Å; D810-T813 PolarHBondContact O-N 3.45Å; D810-T813 VanDerWaalsContact O-N 3.17Å; Q811-T813 VanDerWaalsContact C-N 3.34Å; T813-L815 PolarHBondContact O-N 2.98Å; T813-V816 PolarHBondContact O-N 2.89Å; T813-K817 PolarHBondContact O-N 3.49Å; T813-K817 VanDerWaalsContact O-N 3.09Å; T813-A838 PolarHBondContact OG1-N 3.43Å; T813-A841 HydrophobicContact CG2-CB 3.92Å |
| 814 | Q | 89.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 40.2 Ų | 40.2 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60 | -44.9 | 176.9 | -171.7 | -179 | 9.8 | 0 | 0 | 111.5 | F783 D810 Q811 V816 K817 E818 | F783-Q814 HydrophobicContact CE1-CG 4.46Å; D810-Q814 WeakPolarHBondContact O-CB 3.48Å; D810-Q814 PolarHBondContact O-N 3.43Å; Q811-Q814 PolarHBondContact O-N 3.01Å; Q814-V816 PolarHBondContact O-N 2.92Å; Q814-K817 PolarHBondContact O-N 3.25Å; Q814-E818 HydrophobicContact CG-CG 4.49Å; Q814-E818 WeakPolarHBondContact O-CG 3.43Å; Q814-E818 PolarHBondContact O-N 2.97Å |
| 815 | L | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 177.1 | 175.1 | 59.4 | 0 | 0 | 0 | 112.2 | I702 F783 L798 F804 M807 Q811 K812 T813 K817 E818 L819 | I702-L815 HydrophobicContact CD1-CD2 3.61Å; I702-L815 HydrophobicContact CD1-CG 4.34Å; I702-L815 HydrophobicContact CG1-CD2 3.75Å; I702-L815 HydrophobicContact CG2-CD2 4.41Å; F783-L815 HydrophobicContact CE1-CB 4.4Å; F783-L815 HydrophobicContact CE2-CD1 4.07Å; F783-L815 HydrophobicContact CZ-CB 4.01Å; F783-L815 HydrophobicContact CZ-CD1 4.16Å; L798-L815 HydrophobicContact CD2-CD1 3.45Å; L798-L815 VanDerWaalsContact CD2-CD1 3.45Å; F804-L815 HydrophobicContact CB-CD2 4.06Å; F804-L815 HydrophobicContact CD1-CD1 4.3Å; F804-L815 HydrophobicContact CD1-CD2 3.76Å; F804-L815 HydrophobicContact CD2-CD2 3.58Å; F804-L815 HydrophobicContact CE1-CD1 3.74Å; F804-L815 HydrophobicContact CE1-CD2 4.02Å; F804-L815 HydrophobicContact CE2-CD1 4.11Å; F804-L815 HydrophobicContact CE2-CD2 3.87Å; F804-L815 HydrophobicContact CG-CD2 3.52Å; F804-L815 HydrophobicContact CZ-CD1 3.63Å; F804-L815 HydrophobicContact CZ-CD2 4.06Å; M807-L815 HydrophobicContact CE-CB 4.33Å; M807-L815 HydrophobicContact CE-CD2 4.24Å; Q811-L815 WeakPolarHBondContact O-CB 3.4Å; Q811-L815 PolarHBondContact O-N 3.34Å; K812-L815 PolarHBondContact O-N 3.47Å; T813-L815 PolarHBondContact O-N 2.98Å; L815-K817 PolarHBondContact O-N 3.27Å; L815-E818 PolarHBondContact O-N 2.99Å; L815-L819 HydrophobicContact CD1-CD1 4.23Å; L815-L819 HydrophobicContact CD1-CG 4.22Å; L815-L819 HydrophobicContact CG-CD1 4.26Å; L815-L819 WeakPolarHBondContact O-CG 3.31Å; L815-L819 PolarHBondContact O-N 3.01Å |
| 816 | V | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111 | K812 T813 Q814 L819 Q820 V826 A838 A841 A842 | K812-V816 WeakPolarHBondContact O-CG2 3.21Å; K812-V816 PolarHBondContact O-N 3.45Å; K812-V816 VanDerWaalsContact O-N 3.14Å; T813-V816 PolarHBondContact O-N 2.89Å; Q814-V816 PolarHBondContact O-N 2.92Å; V816-L819 PolarHBondContact O-N 3.23Å; V816-Q820 WeakPolarHBondContact O-CG 3.49Å; V816-Q820 PolarHBondContact O-N 2.83Å; V816-V826 HydrophobicContact CG1-CG1 4.08Å; V816-V826 HydrophobicContact CG2-CG1 4.48Å; V816-A838 HydrophobicContact CG2-CB 4.12Å; V816-A841 HydrophobicContact CG1-CB 4.2Å; V816-A842 HydrophobicContact CG1-CB 4.05Å |
| 817 | K | 89.7 | Confident | 88.3 | Confident | 58 Ų | 58 | 37.9 Ų | 37.9 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.6 | -71.1 | 179.3 | 177.1 | -177.3 | 0 | 112 | D9 T813 Q814 L815 L819 Q820 K821 | D9-K817 IonicContact OD1-NZ 3.62Å; D9-K817 IonicContact OD2-NZ 3.76Å; D9-K817 PolarHBondContact OD2-NZ 3.07Å; T813-K817 PolarHBondContact O-N 3.49Å; T813-K817 VanDerWaalsContact O-N 3.09Å; Q814-K817 PolarHBondContact O-N 3.25Å; L815-K817 PolarHBondContact O-N 3.27Å; K817-L819 PolarHBondContact O-N 3.4Å; K817-Q820 WeakPolarHBondContact O-CB 3.41Å; K817-Q820 PolarHBondContact O-N 2.89Å; K817-K821 WeakPolarHBondContact O-CG 3.15Å; K817-K821 PolarHBondContact O-N 2.81Å |
| 818 | E | 90.3 | Very high | 88.8 | Confident | 33 Ų | 33 | 37.5 Ų | 37.5 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 177.9 | -70.6 | -53.8 | 135.8 | 0 | 0 | 112.3 | L794 L798 Q814 L815 Q820 K821 L822 | L794-E818 HydrophobicContact CD2-CG 4.26Å; L798-E818 HydrophobicContact CD1-CB 3.7Å; Q814-E818 HydrophobicContact CG-CG 4.49Å; Q814-E818 WeakPolarHBondContact O-CG 3.43Å; Q814-E818 PolarHBondContact O-N 2.97Å; L815-E818 PolarHBondContact O-N 2.99Å; E818-Q820 VanDerWaalsContact C-N 3.32Å; E818-Q820 PolarHBondContact O-N 3.16Å; E818-K821 WeakPolarHBondContact O-CB 3.32Å; E818-K821 PolarHBondContact O-N 2.93Å; E818-K821 WeakPolarHBondContact OE1-CE 3.24Å; E818-K821 IonicContact OE1-NZ 2.97Å; E818-K821 PolarHBondContact OE1-NZ 2.79Å; E818-K821 WeakPolarHBondContact OE2-CD 3.43Å; E818-K821 IonicContact OE2-NZ 3.39Å; E818-L822 PolarHBondContact O-N 3Å |
| 819 | L | 91.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 172.7 | -71.4 | 171.2 | 0 | 0 | 0 | 111.8 | V461 L798 L815 V816 K817 L822 Y824 V826 | V461-L819 HydrophobicContact CG1-CD1 4.37Å; L798-L819 HydrophobicContact CB-CD2 4.48Å; L815-L819 HydrophobicContact CD1-CD1 4.23Å; L815-L819 HydrophobicContact CD1-CG 4.22Å; L815-L819 HydrophobicContact CG-CD1 4.26Å; L815-L819 WeakPolarHBondContact O-CG 3.31Å; L815-L819 PolarHBondContact O-N 3.01Å; V816-L819 PolarHBondContact O-N 3.23Å; K817-L819 PolarHBondContact O-N 3.4Å; L819-L822 PolarHBondContact O-N 2.72Å; L819-Y824 HydrophobicContact CD2-CD2 4.47Å; L819-Y824 WeakPolarHBondContact O-CB 3.46Å; L819-Y824 PolarHBondContact O-N 2.62Å; L819-V826 HydrophobicContact CB-CG2 3.61Å; L819-V826 HydrophobicContact CD1-CG1 4.45Å |
| 820 | Q | 89.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 32.7 Ų | 32.7 | 24% | 0.243 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 174.1 | -71.2 | 170.1 | -26.4 | 0 | 0 | 112.2 | V816 K817 E818 L822 N823 V826 A841 | V816-Q820 WeakPolarHBondContact O-CG 3.49Å; V816-Q820 PolarHBondContact O-N 2.83Å; K817-Q820 WeakPolarHBondContact O-CB 3.41Å; K817-Q820 PolarHBondContact O-N 2.89Å; E818-Q820 VanDerWaalsContact C-N 3.32Å; E818-Q820 PolarHBondContact O-N 3.16Å; Q820-L822 PolarHBondContact O-N 3.28Å; Q820-N823 WeakPolarHBondContact O-CA 3.39Å; Q820-N823 PolarHBondContact O-N 2.86Å; Q820-V826 HydrophobicContact CG-CB 4.25Å; Q820-V826 HydrophobicContact CG-CG2 3.83Å; Q820-A841 PolarHBondContact NE2-O 3.32Å |
| 821 | K | 87.5 | Confident | 89.9 | Confident | 134 Ų | 134 | 28.6 Ų | 28.6 | 58% | 0.583 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -56.3 | -34 | 175 | -73.1 | 175.4 | -174.9 | 174.1 | 0 | 111.9 | K817 E818 N823 | K817-K821 WeakPolarHBondContact O-CG 3.15Å; K817-K821 PolarHBondContact O-N 2.81Å; E818-K821 WeakPolarHBondContact O-CB 3.32Å; E818-K821 PolarHBondContact O-N 2.93Å; E818-K821 WeakPolarHBondContact OE1-CE 3.24Å; E818-K821 IonicContact OE1-NZ 2.97Å; E818-K821 PolarHBondContact OE1-NZ 2.79Å; E818-K821 WeakPolarHBondContact OE2-CD 3.43Å; E818-K821 IonicContact OE2-NZ 3.39Å; K821-N823 PolarHBondContact O-N 3.07Å; K821-N823 VanDerWaalsContact O-N 3.09Å |
| 822 | L | 86.3 | Confident | 88.9 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 3.5 | 173.8 | -62.5 | 178 | 0 | 0 | 0 | 114.9 | P795 L798 E818 L819 Q820 Y824 Q1112 Y1113 | P795-L822 HydrophobicContact CB-CD2 3.7Å; P795-L822 HydrophobicContact CG-CD2 4.17Å; L798-L822 HydrophobicContact CB-CD1 3.85Å; L798-L822 HydrophobicContact CD1-CD1 4.16Å; E818-L822 PolarHBondContact O-N 3Å; L819-L822 PolarHBondContact O-N 2.72Å; Q820-L822 PolarHBondContact O-N 3.28Å; L822-Y824 VanDerWaalsContact C-N 3.34Å; L822-Y824 HydrophobicContact CB-CD2 3.85Å; L822-Y824 HydrophobicContact CB-CE2 4.15Å; L822-Y824 HydrophobicContact CD1-CE2 4.3Å; L822-Q1112 HydrophobicContact CD2-CG 4.48Å; L822-Y1113 WeakPolarHBondContact O-CD1 3.3Å; L822-Y1113 PolarHBondContact O-N 2.87Å |
| 823 | N | 87.9 | Confident | 87.6 | Confident | 74 Ų | 74 | 28.6 Ų | 28.6 | 40% | 0.396 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 24.1 | -173.9 | -62.9 | -79.9 | 0 | 0 | 0 | 114.8 | Q820 K821 K1111 | Q820-N823 WeakPolarHBondContact O-CA 3.39Å; Q820-N823 PolarHBondContact O-N 2.86Å; K821-N823 PolarHBondContact O-N 3.07Å; K821-N823 VanDerWaalsContact O-N 3.09Å; N823-K1111 HydrophobicContact CB-CB 4.48Å |
| 824 | Y | 89.2 | Confident | 86.7 | Confident | 24 Ų | 24 | 31.9 Ų | 31.9 | 9% | 0.094 | 16% | 0.157 | C | C | . | . | trans | -74.5 | 151.4 | 163 | -71.3 | -73.8 | 0 | 0 | 0 | 110.3 | S460 V461 L819 L822 Y1113 | S460-Y824 WeakPolarHBondContact OG-CD1 3.32Å; V461-Y824 HydrophobicContact CG2-CD1 3.36Å; V461-Y824 HydrophobicContact CG2-CD2 4.31Å; V461-Y824 HydrophobicContact CG2-CE1 3.71Å; V461-Y824 HydrophobicContact CG2-CG 3.68Å; L819-Y824 HydrophobicContact CD2-CD2 4.47Å; L819-Y824 WeakPolarHBondContact O-CB 3.46Å; L819-Y824 PolarHBondContact O-N 2.62Å; L822-Y824 VanDerWaalsContact C-N 3.34Å; L822-Y824 HydrophobicContact CB-CD2 3.85Å; L822-Y824 HydrophobicContact CB-CE2 4.15Å; L822-Y824 HydrophobicContact CD1-CE2 4.3Å; Y824-Y1113 AromaticContact CD1-CD1 4Å; Y824-Y1113 HydrophobicContact CD1-CD1 4Å; Y824-Y1113 HydrophobicContact CD1-CD2 4.38Å; Y824-Y1113 HydrophobicContact CD1-CE1 4.1Å; Y824-Y1113 HydrophobicContact CD1-CE2 4.5Å; Y824-Y1113 HydrophobicContact CD1-CG 4.15Å; Y824-Y1113 HydrophobicContact CD2-CD1 4.38Å; Y824-Y1113 HydrophobicContact CD2-CG 4.38Å; Y824-Y1113 AromaticContact CE1-CD1 3.95Å; Y824-Y1113 HydrophobicContact CE1-CD1 3.95Å; Y824-Y1113 AromaticContact CE1-CD2 3.57Å; Y824-Y1113 HydrophobicContact CE1-CD2 3.57Å; Y824-Y1113 HydrophobicContact CE1-CE1 4.21Å; Y824-Y1113 AromaticContact CE1-CE2 3.87Å; Y824-Y1113 HydrophobicContact CE1-CE2 3.87Å; Y824-Y1113 AromaticContact CE1-CG 3.63Å; Y824-Y1113 HydrophobicContact CE1-CG 3.63Å; Y824-Y1113 VanDerWaalsContact CE2-CB 3.46Å; Y824-Y1113 HydrophobicContact CE2-CD1 4.3Å; Y824-Y1113 HydrophobicContact CE2-CD2 4.43Å; Y824-Y1113 AromaticContact CE2-CG 3.86Å; Y824-Y1113 HydrophobicContact CE2-CG 3.86Å; Y824-Y1113 HydrophobicContact CG-CD1 4.24Å; Y824-Y1113 VanDerWaalsContact CZ-CB 3.45Å; Y824-Y1113 AromaticContact CZ-CD2 3.6Å; Y824-Y1113 AromaticContact CZ-CG 3.46Å; Y824-Y1113 VanDerWaalsContact CZ-CG 3.46Å | ||
| 825 | R | 91 | Very high | 86.2 | Confident | 65 Ų | 65 | 28.9 Ų | 28.9 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | trans | -97 | 118.3 | 159.8 | -67.9 | -61.7 | -177.4 | 172.7 | -1.1 | 107.3 | N370 K458 S460 V461 D843 | N370-R825 PolarHBondContact O-NH2 2.63Å; K458-R825 HydrophobicContact CB-CG 4.44Å; K458-R825 WeakPolarHBondContact O-CB 3.3Å; S460-R825 PolarHBondContact N-O 3.46Å; S460-R825 PolarHBondContact OG-N 2.8Å; S460-R825 PolarHBondContact OG-O 3.22Å; V461-R825 PolarHBondContact N-O 3.35Å; R825-D843 WeakPolarHBondContact CA-OD2 3.37Å; R825-D843 IonicContact CZ-OD1 3.35Å; R825-D843 IonicContact NH1-OD1 3.81Å; R825-D843 PolarHBondContact NH1-OD1 3.43Å | ||
| 826 | V | 93.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.2 | -166 | -174.6 | 0 | 0 | 0 | 0 | 109 | V461 V816 L819 Q820 D843 V844 | V461-V826 WeakPolarHBondContact O-CA 3.49Å; V816-V826 HydrophobicContact CG1-CG1 4.08Å; V816-V826 HydrophobicContact CG2-CG1 4.48Å; L819-V826 HydrophobicContact CB-CG2 3.61Å; L819-V826 HydrophobicContact CD1-CG1 4.45Å; Q820-V826 HydrophobicContact CG-CB 4.25Å; Q820-V826 HydrophobicContact CG-CG2 3.83Å; V826-D843 PolarHBondContact N-OD2 3.06Å; V826-D843 WeakPolarHBondContact O-CB 3.49Å; V826-D843 PolarHBondContact O-N 3.07Å; V826-V844 PolarHBondContact O-N 3.07Å |
| 827 | G | 94.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V461 F462 C463 V844 | V461-G827 PolarHBondContact O-N 2.81Å; F462-G827 WeakPolarHBondContact CA-O 3.23Å; C463-G827 PolarHBondContact N-O 2.95Å; G827-V844 CarbonylContact C-O 3.58Å; G827-V844 WeakPolarHBondContact CA-O 3.43Å |
| 828 | M | 94.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.6 | 171.1 | 178.7 | 63.8 | -171.9 | 0 | 0 | 108.6 | C463 D465 I702 D835 A838 L839 A842 V844 G845 V846 | C463-M828 HydrophobicContact CB-SD 3.47Å; C463-M828 WeakPolarHBondContact CB-SD 3.4Å; C463-M828 CarbonylContact O-C 3.49Å; C463-M828 WeakPolarHBondContact O-CA 3.47Å; D465-M828 HydrophobicContact CB-CE 4.37Å; I702-M828 HydrophobicContact CD1-SD 4.29Å; M828-D835 HydrophobicContact CE-CB 4.02Å; M828-D835 WeakPolarHBondContact CE-OD1 3.48Å; M828-A838 HydrophobicContact CE-CB 4.5Å; M828-A838 HydrophobicContact CG-CB 4.24Å; M828-L839 HydrophobicContact CB-CD2 4.08Å; M828-L839 HydrophobicContact CG-CD2 3.72Å; M828-L839 HydrophobicContact CG-CG 4.1Å; M828-L839 WeakPolarHBondContact O-CD2 3.41Å; M828-A842 HydrophobicContact CB-CB 3.71Å; M828-V844 PolarHBondContact N-O 3.25Å; M828-G845 CarbonylContact O-C 3.39Å; M828-G845 WeakPolarHBondContact O-CA 3.45Å; M828-V846 PolarHBondContact O-N 3.46Å |
| 829 | C | 93.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.6 | 171 | -164.4 | 0 | 0 | 0 | 0 | 108.7 | F462 C463 F464 D465 T469 V846 V869 | F462-C829 HydrophobicContact CD1-CB 4.45Å; F462-C829 HydrophobicContact CE1-CB 3.88Å; C463-C829 PolarHBondContact O-N 3Å; F464-C829 HydrophobicContact CD1-CB 3.82Å; F464-C829 HydrophobicContact CE1-CB 4.05Å; D465-C829 PolarHBondContact N-O 3Å; T469-C829 HydrophobicContact CG2-CB 4.49Å; C829-V846 WeakPolarHBondContact CA-O 3.46Å; C829-V869 HydrophobicContact CB-CG2 4.27Å |
| 830 | G | 89.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 164.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T469 V846 S847 L848 | T469-G830 VanDerWaalsContact OG1-CA 3.32Å; T469-G830 WeakPolarHBondContact OG1-CA 3.07Å; G830-V846 PolarHBondContact N-O 2.83Å; G830-V846 VanDerWaalsContact N-O 3.16Å; G830-S847 CarbonylContact O-C 3.55Å; G830-S847 VanDerWaalsContact O-CA 3.32Å; G830-S847 WeakPolarHBondContact O-CA 3.39Å; G830-L848 PolarHBondContact O-N 3.25Å |
| 831 | D | 79.7 | Confident | 83.5 | Confident | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -117.1 | -27.2 | -177.3 | 56.3 | -57.5 | 0 | 0 | 0 | 112.1 | G468 T469 L848 S849 | G468-D831 VanDerWaalsContact C-CG 3.45Å; G468-D831 WeakPolarHBondContact CA-OD2 3.3Å; T469-D831 PolarHBondContact N-OD1 3.06Å; T469-D831 PolarHBondContact OG1-N 3.32Å; T469-D831 PolarHBondContact OG1-OD1 2.99Å; D831-L848 HydrophobicContact CB-CB 4.21Å; D831-S849 WeakPolarHBondContact O-CB 3.49Å |
| 832 | G | 66.4 | Low | 83.6 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -104.3 | 165.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | N834 D835 | G832-N834 PolarHBondContact O-N 3.49Å; G832-D835 PolarHBondContact O-N 3.03Å; G832-D835 VanDerWaalsContact O-N 3.11Å |
| 833 | A | 61.3 | Low | 83.7 | Confident | 26 Ų | 26 | 24.4 Ų | 24.4 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -67.9 | -20.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L295 T296 D835 C836 A853 | L295-A833 WeakPolarHBondContact O-CB 3.45Å; T296-A833 WeakPolarHBondContact O-CB 3.28Å; T296-A833 PolarHBondContact O-N 3.3Å; A833-D835 PolarHBondContact O-N 3.48Å; A833-C836 WeakPolarHBondContact O-CB 3.4Å; A833-C836 PolarHBondContact O-N 3.3Å; A833-A853 HydrophobicContact CB-CB 4.48Å |
| 834 | N | 70.6 | Confident | 83.9 | Confident | 89 Ų | 89 | 20.9 Ų | 20.9 | 48% | 0.476 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -57.3 | -20.4 | 171 | -67.3 | -36.3 | 0 | 0 | 0 | 112 | P809 G832 | P809-N834 HydrophobicContact CG-CB 4.32Å; G832-N834 PolarHBondContact O-N 3.49Å |
| 835 | D | 78.6 | Confident | 84 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -100.6 | -5.5 | 176.5 | -60.4 | -49.3 | 0 | 0 | 0 | 113.7 | D465 K812 M828 G832 A833 G837 A838 L839 | D465-D835 WeakPolarHBondContact CB-OD2 3.44Å; K812-D835 WeakPolarHBondContact CD-OD1 3.45Å; K812-D835 WeakPolarHBondContact CE-OD1 3.46Å; K812-D835 IonicContact NZ-OD1 2.89Å; K812-D835 PolarHBondContact NZ-OD1 2.91Å; K812-D835 IonicContact NZ-OD2 3.76Å; M828-D835 HydrophobicContact CE-CB 4.02Å; M828-D835 WeakPolarHBondContact CE-OD1 3.48Å; G832-D835 PolarHBondContact O-N 3.03Å; G832-D835 VanDerWaalsContact O-N 3.11Å; A833-D835 PolarHBondContact O-N 3.48Å; D835-G837 VanDerWaalsContact C-N 3.31Å; D835-G837 PolarHBondContact O-N 3.33Å; D835-A838 CarbonylContact O-C 3.46Å; D835-A838 PolarHBondContact O-N 3.17Å; D835-L839 HydrophobicContact CB-CD1 4.01Å; D835-L839 HydrophobicContact CB-CG 4.14Å; D835-L839 WeakPolarHBondContact O-CB 3.32Å; D835-L839 VanDerWaalsContact O-CG 3.3Å; D835-L839 WeakPolarHBondContact O-CG 3.23Å; D835-L839 PolarHBondContact O-N 3.36Å |
| 836 | C | 75.5 | Confident | 84 | Confident | 24 Ų | 24 | 16.6 Ų | 16.6 | 16% | 0.162 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.7 | -44.7 | -173.9 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | A833 A838 L839 R840 | A833-C836 WeakPolarHBondContact O-CB 3.4Å; A833-C836 PolarHBondContact O-N 3.3Å; C836-A838 PolarHBondContact O-N 2.9Å; C836-L839 PolarHBondContact O-N 2.78Å; C836-R840 VanDerWaalsContact O-CB 3.27Å; C836-R840 WeakPolarHBondContact O-CB 3.42Å; C836-R840 PolarHBondContact O-N 2.89Å |
| 837 | G | 77.7 | Confident | 83.8 | Confident | 19 Ų | 19 | 16.8 Ų | 16.8 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D835 A841 | D835-G837 VanDerWaalsContact C-N 3.31Å; D835-G837 PolarHBondContact O-N 3.33Å; G837-A841 WeakPolarHBondContact O-CB 3.39Å; G837-A841 PolarHBondContact O-N 3.37Å |
| 838 | A | 85.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.7 | -40.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | K812 T813 V816 M828 D835 C836 R840 A841 A842 | K812-A838 HydrophobicContact CB-CB 3.97Å; T813-A838 PolarHBondContact OG1-N 3.43Å; V816-A838 HydrophobicContact CG2-CB 4.12Å; M828-A838 HydrophobicContact CE-CB 4.5Å; M828-A838 HydrophobicContact CG-CB 4.24Å; D835-A838 CarbonylContact O-C 3.46Å; D835-A838 PolarHBondContact O-N 3.17Å; C836-A838 PolarHBondContact O-N 2.9Å; A838-R840 VanDerWaalsContact C-N 3.33Å; A838-A841 PolarHBondContact O-N 2.96Å; A838-A842 WeakPolarHBondContact O-CB 3.45Å; A838-A842 PolarHBondContact O-N 3.32Å |
| 839 | L | 86.9 | Confident | 82.4 | Confident | 7 Ų | 7 | 18.3 Ų | 18.3 | 4% | 0.037 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.1 | -73.6 | 169.4 | 0 | 0 | 0 | 111.3 | M828 D835 C836 G845 V846 | M828-L839 HydrophobicContact CB-CD2 4.08Å; M828-L839 HydrophobicContact CG-CD2 3.72Å; M828-L839 HydrophobicContact CG-CG 4.1Å; M828-L839 WeakPolarHBondContact O-CD2 3.41Å; D835-L839 HydrophobicContact CB-CD1 4.01Å; D835-L839 HydrophobicContact CB-CG 4.14Å; D835-L839 WeakPolarHBondContact O-CB 3.32Å; D835-L839 VanDerWaalsContact O-CG 3.3Å; D835-L839 WeakPolarHBondContact O-CG 3.23Å; D835-L839 PolarHBondContact O-N 3.36Å; C836-L839 PolarHBondContact O-N 2.78Å; L839-G845 WeakPolarHBondContact O-CA 3.42Å; L839-V846 VanDerWaalsContact CD2-O 3.25Å; L839-V846 WeakPolarHBondContact CD2-O 3.43Å |
| 840 | R | 79.8 | Confident | 81 | Confident | 107 Ų | 107 | 24.1 Ų | 24.1 | 40% | 0.404 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66.8 | -45.5 | 176.1 | -178.5 | -179.7 | 63.3 | -169.8 | -5.1 | 112.1 | S362 C836 A838 A842 | S362-R840 PolarHBondContact OG-NH1 3.06Å; C836-R840 VanDerWaalsContact O-CB 3.27Å; C836-R840 WeakPolarHBondContact O-CB 3.42Å; C836-R840 PolarHBondContact O-N 2.89Å; A838-R840 VanDerWaalsContact C-N 3.33Å; R840-A842 VanDerWaalsContact C-N 3.32Å |
| 841 | A | 83.2 | Confident | 79.6 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70 | -28 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T813 V816 Q820 G837 A838 | T813-A841 HydrophobicContact CG2-CB 3.92Å; V816-A841 HydrophobicContact CG1-CB 4.2Å; Q820-A841 PolarHBondContact NE2-O 3.32Å; G837-A841 WeakPolarHBondContact O-CB 3.39Å; G837-A841 PolarHBondContact O-N 3.37Å; A838-A841 PolarHBondContact O-N 2.96Å |
| 842 | A | 89.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -62.1 | 149.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | R452 V816 M828 A838 R840 V844 | R452-A842 PolarHBondContact NH1-O 3.49Å; V816-A842 HydrophobicContact CG1-CB 4.05Å; M828-A842 HydrophobicContact CB-CB 3.71Å; A838-A842 WeakPolarHBondContact O-CB 3.45Å; A838-A842 PolarHBondContact O-N 3.32Å; R840-A842 VanDerWaalsContact C-N 3.32Å; A842-V844 PolarHBondContact O-N 3.17Å |
| 843 | D | 89.8 | Confident | 77.7 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -60.3 | -35.1 | 171.9 | -67.5 | -83.6 | 0 | 0 | 0 | 110.2 | I455 R825 V826 | I455-D843 HydrophobicContact CG2-CB 3.97Å; R825-D843 WeakPolarHBondContact CA-OD2 3.37Å; R825-D843 IonicContact CZ-OD1 3.35Å; R825-D843 IonicContact NH1-OD1 3.81Å; R825-D843 PolarHBondContact NH1-OD1 3.43Å; V826-D843 PolarHBondContact N-OD2 3.06Å; V826-D843 WeakPolarHBondContact O-CB 3.49Å; V826-D843 PolarHBondContact O-N 3.07Å |
| 844 | V | 91.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 97.6 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | I455 C456 V459 V826 G827 M828 A842 V846 F859 L872 | I455-V844 HydrophobicContact CB-CG2 4.37Å; I455-V844 HydrophobicContact CG2-CG2 4.24Å; C456-V844 HydrophobicContact CB-CG2 4.4Å; C456-V844 WeakPolarHBondContact SG-CG1 3.14Å; C456-V844 VanDerWaalsContact SG-CG2 3.58Å; V459-V844 HydrophobicContact CG2-CB 4.25Å; V459-V844 HydrophobicContact CG2-CG2 3.76Å; V826-V844 PolarHBondContact O-N 3.07Å; G827-V844 CarbonylContact C-O 3.58Å; G827-V844 WeakPolarHBondContact CA-O 3.43Å; M828-V844 PolarHBondContact N-O 3.25Å; A842-V844 PolarHBondContact O-N 3.17Å; V844-V846 HydrophobicContact CG1-CG2 4.37Å; V844-F859 HydrophobicContact CG1-CD2 3.99Å; V844-F859 HydrophobicContact CG1-CE2 3.9Å; V844-L872 HydrophobicContact CG1-CD2 3.79Å |
| 845 | G | 91.4 | Very high | 76.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M828 L839 S857 F859 | M828-G845 CarbonylContact O-C 3.39Å; M828-G845 WeakPolarHBondContact O-CA 3.45Å; L839-G845 WeakPolarHBondContact O-CA 3.42Å; G845-S857 PolarHBondContact O-OG 3.48Å; G845-F859 WeakPolarHBondContact O-CB 3.48Å; G845-F859 WeakPolarHBondContact O-CD2 3.47Å; G845-F859 PolarHBondContact O-N 2.78Å |
| 846 | V | 91.4 | Very high | 76 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 117.7 | 175 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | F462 M828 C829 G830 L839 V844 S857 F859 L872 | F462-V846 HydrophobicContact CZ-CG2 4.19Å; M828-V846 PolarHBondContact O-N 3.46Å; C829-V846 WeakPolarHBondContact CA-O 3.46Å; G830-V846 PolarHBondContact N-O 2.83Å; G830-V846 VanDerWaalsContact N-O 3.16Å; L839-V846 VanDerWaalsContact CD2-O 3.25Å; L839-V846 WeakPolarHBondContact CD2-O 3.43Å; V844-V846 HydrophobicContact CG1-CG2 4.37Å; V846-S857 PolarHBondContact N-OG 3.34Å; V846-F859 WeakPolarHBondContact CA-O 3.42Å; V846-F859 HydrophobicContact CG2-CB 4.22Å; V846-L872 HydrophobicContact CG2-CD2 3.52Å |
| 847 | S | 89.1 | Confident | 76 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.9 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | G830 S849 S854 S857 F859 S861 | G830-S847 CarbonylContact O-C 3.55Å; G830-S847 VanDerWaalsContact O-CA 3.32Å; G830-S847 WeakPolarHBondContact O-CA 3.39Å; S847-S849 PolarHBondContact OG-N 3.18Å; S847-S849 PolarHBondContact OG-O 3.38Å; S847-S849 VanDerWaalsContact OG-O 3.07Å; S847-S854 WeakPolarHBondContact OG-CB 3.45Å; S847-S857 PolarHBondContact N-OG 2.92Å; S847-F859 PolarHBondContact N-O 2.91Å; S847-S861 PolarHBondContact O-N 3.39Å |
| 848 | L | 86.9 | Confident | 76.2 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -93.7 | -7.6 | 173.6 | -60.4 | -178.3 | 0 | 0 | 0 | 113.9 | T469 G830 D831 N865 I866 | T469-L848 HydrophobicContact CG2-CD1 4.01Å; G830-L848 PolarHBondContact O-N 3.25Å; D831-L848 HydrophobicContact CB-CB 4.21Å; L848-N865 WeakPolarHBondContact CD2-O 3.47Å; L848-I866 HydrophobicContact CD1-CG2 4.31Å |
| 849 | S | 73.6 | Confident | 76.3 | Confident | 27 Ų | 27 | 25.1 Ų | 25.1 | 19% | 0.189 | 13% | 0.133 | C | C | . | . | trans | -105 | 146.7 | 177.2 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | D831 S847 A851 S854 T860 | D831-S849 WeakPolarHBondContact O-CB 3.49Å; S847-S849 PolarHBondContact OG-N 3.18Å; S847-S849 PolarHBondContact OG-O 3.38Å; S847-S849 VanDerWaalsContact OG-O 3.07Å; S849-A851 VanDerWaalsContact C-N 3.34Å; S849-A851 WeakPolarHBondContact OG-CB 3.49Å; S849-A851 PolarHBondContact OG-N 2.97Å; S849-A851 VanDerWaalsContact OG-N 3.12Å; S849-S854 WeakPolarHBondContact O-CB 3.24Å; S849-S854 PolarHBondContact O-OG 3.22Å; S849-S854 VanDerWaalsContact O-OG 3.11Å; S849-T860 VanDerWaalsContact O-CG2 3.27Å; S849-T860 WeakPolarHBondContact O-CG2 3.04Å | ||
| 850 | E | 63.9 | Low | 76.4 | Confident | 121 Ų | 121 | 25.5 Ų | 25.5 | 57% | 0.565 | 14% | 0.135 | S | C | * | . | trans | -84.1 | -1.8 | 172.8 | -69.2 | -168.3 | 167.5 | 0 | 0 | 113.4 | K862 | E850-K862 WeakPolarHBondContact OE1-CD 3.06Å; E850-K862 VanDerWaalsContact OE1-CG 3.27Å; E850-K862 WeakPolarHBondContact OE1-CG 3.49Å | ||
| 851 | A | 59.9 | Low | 76.8 | Confident | 22 Ų | 22 | 20.4 Ų | 20.4 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -61.2 | 155 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G297 S849 A853 S854 | G297-A851 VanDerWaalsContact CA-CB 3.49Å; S849-A851 VanDerWaalsContact C-N 3.34Å; S849-A851 WeakPolarHBondContact OG-CB 3.49Å; S849-A851 PolarHBondContact OG-N 2.97Å; S849-A851 VanDerWaalsContact OG-N 3.12Å; A851-A853 PolarHBondContact O-N 2.91Å; A851-A853 VanDerWaalsContact O-N 3.12Å; A851-S854 WeakPolarHBondContact O-CA 3.27Å; A851-S854 WeakPolarHBondContact O-CB 3.28Å; A851-S854 PolarHBondContact O-N 2.97Å; A851-S854 PolarHBondContact O-OG 2.84Å |
| 852 | E | 54.7 | Low | 76.9 | Confident | 104 Ų | 104 | 26.3 Ų | 26.3 | 49% | 0.486 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -60.9 | -29.2 | -172 | -65.7 | -168.8 | -175 | 0 | 0 | 114.2 | M294 S854 V855 | M294-E852 WeakPolarHBondContact CE-OE2 3.46Å; M294-E852 HydrophobicContact CG-CB 3.86Å; M294-E852 HydrophobicContact CG-CG 4.23Å; M294-E852 VanDerWaalsContact CG-OE2 3.25Å; M294-E852 WeakPolarHBondContact CG-OE2 3.26Å; E852-S854 PolarHBondContact O-N 3.09Å; E852-V855 WeakPolarHBondContact O-CB 3.34Å; E852-V855 WeakPolarHBondContact O-CG2 3.45Å; E852-V855 PolarHBondContact O-N 3.29Å |
| 853 | A | 50.7 | Low | 76.8 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -58.8 | -28.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | M294 L295 A833 A851 V855 A856 | M294-A853 PolarHBondContact O-N 2.91Å; M294-A853 VanDerWaalsContact O-N 3.07Å; L295-A853 WeakPolarHBondContact O-CB 3.18Å; A833-A853 HydrophobicContact CB-CB 4.48Å; A851-A853 PolarHBondContact O-N 2.91Å; A851-A853 VanDerWaalsContact O-N 3.12Å; A853-V855 PolarHBondContact O-N 3.23Å; A853-A856 PolarHBondContact O-N 3.06Å |
| 854 | S | 55.3 | Low | 76.5 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -66.3 | -19 | 174.3 | 78 | 0 | 0 | 0 | 0 | 113.7 | S847 S849 A851 E852 A856 S857 | S847-S854 WeakPolarHBondContact OG-CB 3.45Å; S849-S854 WeakPolarHBondContact O-CB 3.24Å; S849-S854 PolarHBondContact O-OG 3.22Å; S849-S854 VanDerWaalsContact O-OG 3.11Å; A851-S854 WeakPolarHBondContact O-CA 3.27Å; A851-S854 WeakPolarHBondContact O-CB 3.28Å; A851-S854 PolarHBondContact O-N 2.97Å; A851-S854 PolarHBondContact O-OG 2.84Å; E852-S854 PolarHBondContact O-N 3.09Å; S854-A856 PolarHBondContact O-N 3.09Å; S854-S857 VanDerWaalsContact O-CB 3.28Å; S854-S857 WeakPolarHBondContact O-CB 2.9Å; S854-S857 PolarHBondContact O-N 3.32Å |
| 855 | V | 57.9 | Low | 76.4 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 32% | 0.315 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -66.1 | -21.9 | 178.1 | -177 | 0 | 0 | 0 | 0 | 111.2 | I363 I448 E852 A853 S857 | I363-V855 HydrophobicContact CD1-CB 4.43Å; I363-V855 HydrophobicContact CD1-CG1 4.01Å; I448-V855 HydrophobicContact CD1-CG1 4Å; I448-V855 WeakPolarHBondContact CD1-O 3.31Å; E852-V855 WeakPolarHBondContact O-CB 3.34Å; E852-V855 WeakPolarHBondContact O-CG2 3.45Å; E852-V855 PolarHBondContact O-N 3.29Å; A853-V855 PolarHBondContact O-N 3.23Å; V855-S857 PolarHBondContact O-N 3.5Å |
| 856 | A | 61.3 | Low | 76.4 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -69.9 | -22.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L359 A853 S854 | L359-A856 HydrophobicContact CD1-CB 4.21Å; L359-A856 HydrophobicContact CG-CB 4.2Å; A853-A856 PolarHBondContact O-N 3.06Å; S854-A856 PolarHBondContact O-N 3.09Å |
| 857 | S | 76.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -77.3 | 137.6 | 175.4 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | G845 V846 S847 S854 V855 F859 | G845-S857 PolarHBondContact O-OG 3.48Å; V846-S857 PolarHBondContact N-OG 3.34Å; S847-S857 PolarHBondContact N-OG 2.92Å; S854-S857 VanDerWaalsContact O-CB 3.28Å; S854-S857 WeakPolarHBondContact O-CB 2.9Å; S854-S857 PolarHBondContact O-N 3.32Å; V855-S857 PolarHBondContact O-N 3.5Å; S857-F859 WeakPolarHBondContact CB-O 2.96Å; S857-F859 PolarHBondContact O-N 3.16Å; S857-F859 PolarHBondContact OG-N 3.27Å; S857-F859 PolarHBondContact OG-O 3.43Å |
| 858 | P | 81 | Confident | 76.6 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -59.5 | -31 | 175.6 | -24.7 | 33.4 | 0 | 0 | 0 | 114.9 | C447 I448 | C447-P858 WeakPolarHBondContact CA-O 3.27Å; I448-P858 PolarHBondContact N-O 3.41Å |
| 859 | F | 88.1 | Confident | 77 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.4 | 179.2 | -58.1 | -80 | 0 | 0 | 0 | 110.3 | I445 F446 C447 R452 I453 V844 G845 V846 S847 S857 L872 | I445-F859 HydrophobicContact CG2-CD1 4.45Å; F446-F859 VanDerWaalsContact O-CA 3.28Å; F446-F859 WeakPolarHBondContact O-CA 3.46Å; C447-F859 HydrophobicContact CB-CD1 3.73Å; C447-F859 HydrophobicContact CB-CE1 3.67Å; C447-F859 WeakPolarHBondContact SG-CE1 3.23Å; R452-F859 HydrophobicContact CB-CE2 4.09Å; R452-F859 HydrophobicContact CB-CZ 4.1Å; I453-F859 HydrophobicContact CG1-CE1 3.82Å; I453-F859 HydrophobicContact CG1-CZ 3.98Å; V844-F859 HydrophobicContact CG1-CD2 3.99Å; V844-F859 HydrophobicContact CG1-CE2 3.9Å; G845-F859 WeakPolarHBondContact O-CB 3.48Å; G845-F859 WeakPolarHBondContact O-CD2 3.47Å; G845-F859 PolarHBondContact O-N 2.78Å; V846-F859 WeakPolarHBondContact CA-O 3.42Å; V846-F859 HydrophobicContact CG2-CB 4.22Å; S847-F859 PolarHBondContact N-O 2.91Å; S857-F859 WeakPolarHBondContact CB-O 2.96Å; S857-F859 PolarHBondContact O-N 3.16Å; S857-F859 PolarHBondContact OG-N 3.27Å; S857-F859 PolarHBondContact OG-O 3.43Å; F859-L872 HydrophobicContact CD1-CD1 3.85Å; F859-L872 HydrophobicContact CD1-CD2 4.46Å; F859-L872 HydrophobicContact CD2-CD2 3.95Å; F859-L872 HydrophobicContact CE1-CD1 3.73Å; F859-L872 HydrophobicContact CE2-CD1 4.49Å; F859-L872 HydrophobicContact CE2-CD2 4.29Å; F859-L872 HydrophobicContact CG-CD1 4.28Å; F859-L872 HydrophobicContact CG-CD2 4.06Å; F859-L872 HydrophobicContact CZ-CD1 4.08Å |
| 860 | T | 88.4 | Confident | 78 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 9% | 0.086 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.5 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 108.5 | I445 F446 S849 | I445-T860 CarbonylContact C-O 3.48Å; I445-T860 WeakPolarHBondContact CA-O 3.41Å; F446-T860 PolarHBondContact N-O 3.47Å; F446-T860 PolarHBondContact O-N 3.27Å; S849-T860 VanDerWaalsContact O-CG2 3.27Å; S849-T860 WeakPolarHBondContact O-CG2 3.04Å |
| 861 | S | 88.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.1 | 177.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | S847 T863 | S847-S861 PolarHBondContact O-N 3.39Å; S861-T863 VanDerWaalsContact C-N 3.32Å; S861-T863 PolarHBondContact OG-N 3.02Å; S861-T863 PolarHBondContact OG-O 2.93Å; S861-T863 PolarHBondContact OG-OG1 2.82Å |
| 862 | K | 85.9 | Confident | 81 | Confident | 135 Ų | 135 | 31.5 Ų | 31.5 | 59% | 0.587 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -75.2 | -24.2 | 171 | -179.6 | 164.5 | -170.4 | 176 | 0 | 112.8 | G444 F446 E850 | G444-K862 WeakPolarHBondContact O-CB 3.26Å; G444-K862 PolarHBondContact O-N 3.24Å; F446-K862 HydrophobicContact CE2-CB 4.49Å; E850-K862 WeakPolarHBondContact OE1-CD 3.06Å; E850-K862 VanDerWaalsContact OE1-CG 3.27Å; E850-K862 WeakPolarHBondContact OE1-CG 3.49Å |
| 863 | T | 86.3 | Confident | 82.9 | Confident | 61 Ų | 61 | 26.6 Ų | 26.6 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -89.1 | 127 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | S861 N865 | S861-T863 VanDerWaalsContact C-N 3.32Å; S861-T863 PolarHBondContact OG-N 3.02Å; S861-T863 PolarHBondContact OG-O 2.93Å; S861-T863 PolarHBondContact OG-OG1 2.82Å; T863-N865 PolarHBondContact O-N 3.03Å |
| 864 | E | 83.9 | Confident | 84.9 | Confident | 135 Ų | 135 | 28.1 Ų | 28.1 | 63% | 0.631 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -77.2 | 40.7 | 179.8 | -62.4 | 171.3 | -170.4 | 0 | 0 | 112.4 | K682 | K682-E864 PolarHBondContact NZ-O 3.17Š|
| 865 | N | 88.2 | Confident | 86.7 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -143.2 | 163.5 | 174.7 | 70 | 23.5 | 0 | 0 | 0 | 111.4 | E684 L848 T863 S867 | E684-N865 PolarHBondContact OE1-ND2 3.49Å; L848-N865 WeakPolarHBondContact CD2-O 3.47Å; T863-N865 PolarHBondContact O-N 3.03Å; N865-S867 PolarHBondContact O-N 3.43Å; N865-S867 VanDerWaalsContact OD1-CB 3.26Å; N865-S867 WeakPolarHBondContact OD1-CB 3.42Å; N865-S867 PolarHBondContact OD1-N 2.92Å; N865-S867 PolarHBondContact OD1-OG 3.34Å |
| 866 | I | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 4 | -174.9 | 65.4 | 166.2 | 0 | 0 | 0 | 114 | F464 T469 L470 V688 I689 L848 C868 V869 P870 | F464-I866 HydrophobicContact CD1-CG2 4.02Å; F464-I866 HydrophobicContact CE1-CB 4.15Å; F464-I866 HydrophobicContact CE1-CD1 4.2Å; F464-I866 HydrophobicContact CE1-CG2 4.05Å; T469-I866 HydrophobicContact CG2-CG2 3.77Å; L470-I866 HydrophobicContact CD2-CD1 3.83Å; L470-I866 HydrophobicContact CD2-CG2 4.47Å; V688-I866 HydrophobicContact CB-CD1 3.76Å; V688-I866 HydrophobicContact CB-CG1 3.84Å; V688-I866 HydrophobicContact CG1-CB 4.42Å; V688-I866 HydrophobicContact CG1-CD1 3.64Å; V688-I866 HydrophobicContact CG1-CG1 3.77Å; V688-I866 HydrophobicContact CG2-CG1 4.13Å; I689-I866 HydrophobicContact CD1-CD1 4.19Å; I689-I866 HydrophobicContact CG1-CD1 4.24Å; L848-I866 HydrophobicContact CD1-CG2 4.31Å; I866-C868 PolarHBondContact O-N 3.36Å; I866-C868 VanDerWaalsContact O-N 3.14Å; I866-V869 WeakPolarHBondContact O-CB 3.39Å; I866-V869 PolarHBondContact O-N 3.43Å; I866-P870 WeakPolarHBondContact O-CD 3.28Å |
| 867 | S | 92.5 | Very high | 89.9 | Confident | 49 Ų | 49 | 24.7 Ų | 24.7 | 34% | 0.343 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.1 | 179.6 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | N865 V869 P870 | N865-S867 PolarHBondContact O-N 3.43Å; N865-S867 VanDerWaalsContact OD1-CB 3.26Å; N865-S867 WeakPolarHBondContact OD1-CB 3.42Å; N865-S867 PolarHBondContact OD1-N 2.92Å; N865-S867 PolarHBondContact OD1-OG 3.34Å; S867-V869 VanDerWaalsContact C-N 3.26Å; S867-V869 PolarHBondContact O-N 3.32Å; S867-P870 VanDerWaalsContact O-CD 3.3Å; S867-P870 WeakPolarHBondContact O-CD 3.36Å; S867-P870 WeakPolarHBondContact O-CG 3.47Å |
| 868 | C | 92.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -28.7 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | I445 I866 L872 | I445-C868 HydrophobicContact CD1-CB 3.7Å; I445-C868 HydrophobicContact CG1-CB 4.16Å; I866-C868 PolarHBondContact O-N 3.36Å; I866-C868 VanDerWaalsContact O-N 3.14Å; C868-L872 VanDerWaalsContact O-CB 3.24Å; C868-L872 WeakPolarHBondContact O-CB 3.26Å; C868-L872 PolarHBondContact O-N 2.97Å |
| 869 | V | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.9 | -57 | -176.5 | 174.6 | 0 | 0 | 0 | 0 | 113 | F462 F464 L692 C829 I866 S867 L871 L872 I873 | F462-V869 HydrophobicContact CD1-CG1 4.15Å; F462-V869 HydrophobicContact CD2-CG1 3.61Å; F462-V869 HydrophobicContact CE1-CG1 4.01Å; F462-V869 HydrophobicContact CE1-CG2 3.98Å; F462-V869 HydrophobicContact CE2-CG1 3.45Å; F462-V869 VanDerWaalsContact CE2-CG1 3.45Å; F462-V869 HydrophobicContact CG-CG1 3.98Å; F462-V869 HydrophobicContact CZ-CB 4.43Å; F462-V869 HydrophobicContact CZ-CG1 3.66Å; F462-V869 HydrophobicContact CZ-CG2 3.99Å; F464-V869 HydrophobicContact CE1-CG2 4.04Å; F464-V869 HydrophobicContact CZ-CG1 4.29Å; L692-V869 HydrophobicContact CD1-CG1 4.17Å; L692-V869 HydrophobicContact CD2-CG1 4.31Å; C829-V869 HydrophobicContact CB-CG2 4.27Å; I866-V869 WeakPolarHBondContact O-CB 3.39Å; I866-V869 PolarHBondContact O-N 3.43Å; S867-V869 VanDerWaalsContact C-N 3.26Å; S867-V869 PolarHBondContact O-N 3.32Å; V869-L871 VanDerWaalsContact C-N 3.25Å; V869-L871 PolarHBondContact O-N 2.98Å; V869-L872 PolarHBondContact O-N 3.39Å; V869-I873 HydrophobicContact CG1-CD1 4Å; V869-I873 WeakPolarHBondContact O-CG1 3.45Å; V869-I873 PolarHBondContact O-N 3.06Å |
| 870 | P | 94.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 10% | 0.104 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 178.4 | 23.6 | -34.1 | 0 | 0 | 0 | 111.7 | V688 T691 I866 S867 I873 R874 | V688-P870 HydrophobicContact CG1-CG 3.98Å; V688-P870 HydrophobicContact CG2-CG 4.39Å; T691-P870 HydrophobicContact CG2-CB 4.35Å; I866-P870 WeakPolarHBondContact O-CD 3.28Å; S867-P870 VanDerWaalsContact O-CD 3.3Å; S867-P870 WeakPolarHBondContact O-CD 3.36Å; S867-P870 WeakPolarHBondContact O-CG 3.47Å; P870-I873 PolarHBondContact O-N 3.34Å; P870-R874 WeakPolarHBondContact O-CB 3.47Å; P870-R874 WeakPolarHBondContact O-CG 3.49Å; P870-R874 PolarHBondContact O-N 3.44Å |
| 871 | L | 93.1 | Very high | 91.3 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 174.2 | 173.7 | 59.9 | 0 | 0 | 0 | 112 | R443 I445 V869 I873 R874 E875 | R443-L871 HydrophobicContact CB-CD2 3.96Å; R443-L871 HydrophobicContact CG-CD2 4.32Å; I445-L871 HydrophobicContact CD1-CD2 3.68Å; I445-L871 HydrophobicContact CD1-CG 4.21Å; V869-L871 VanDerWaalsContact C-N 3.25Å; V869-L871 PolarHBondContact O-N 2.98Å; L871-I873 VanDerWaalsContact C-N 3.32Å; L871-I873 PolarHBondContact O-N 3.49Å; L871-R874 PolarHBondContact O-N 2.94Å; L871-E875 HydrophobicContact CD1-CG 4.34Å; L871-E875 PolarHBondContact O-N 2.9Å |
| 872 | L | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.6 | -178.6 | 64.7 | 0 | 0 | 0 | 111.5 | L440 C456 V844 V846 F859 C868 V869 G876 | L440-L872 HydrophobicContact CD1-CD1 3.92Å; L440-L872 HydrophobicContact CD2-CD1 4.2Å; C456-L872 HydrophobicContact CB-CG 4.18Å; V844-L872 HydrophobicContact CG1-CD2 3.79Å; V846-L872 HydrophobicContact CG2-CD2 3.52Å; F859-L872 HydrophobicContact CD1-CD1 3.85Å; F859-L872 HydrophobicContact CD1-CD2 4.46Å; F859-L872 HydrophobicContact CD2-CD2 3.95Å; F859-L872 HydrophobicContact CE1-CD1 3.73Å; F859-L872 HydrophobicContact CE2-CD1 4.49Å; F859-L872 HydrophobicContact CE2-CD2 4.29Å; F859-L872 HydrophobicContact CG-CD1 4.28Å; F859-L872 HydrophobicContact CG-CD2 4.06Å; F859-L872 HydrophobicContact CZ-CD1 4.08Å; C868-L872 VanDerWaalsContact O-CB 3.24Å; C868-L872 WeakPolarHBondContact O-CB 3.26Å; C868-L872 PolarHBondContact O-N 2.97Å; V869-L872 PolarHBondContact O-N 3.39Å; L872-G876 PolarHBondContact O-N 3.5Å |
| 873 | I | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.3 | -40.6 | 177.7 | -60.3 | 173.4 | 0 | 0 | 0 | 110.8 | F462 L692 I697 V869 P870 L871 G876 R877 L940 | F462-I873 HydrophobicContact CD2-CD1 3.88Å; F462-I873 HydrophobicContact CE2-CD1 3.99Å; F462-I873 HydrophobicContact CE2-CG1 4.4Å; L692-I873 HydrophobicContact CD2-CD1 3.89Å; I697-I873 HydrophobicContact CD1-CD1 3.78Å; I697-I873 HydrophobicContact CD1-CG2 4.15Å; V869-I873 HydrophobicContact CG1-CD1 4Å; V869-I873 WeakPolarHBondContact O-CG1 3.45Å; V869-I873 PolarHBondContact O-N 3.06Å; P870-I873 PolarHBondContact O-N 3.34Å; L871-I873 VanDerWaalsContact C-N 3.32Å; L871-I873 PolarHBondContact O-N 3.49Å; I873-G876 PolarHBondContact O-N 2.72Å; I873-R877 HydrophobicContact CG2-CG 4.48Å; I873-R877 VanDerWaalsContact O-CG 3.3Å; I873-R877 WeakPolarHBondContact O-CG 3.37Å; I873-R877 PolarHBondContact O-N 3.46Å; I873-L940 HydrophobicContact CB-CD1 4.19Å; I873-L940 HydrophobicContact CG2-CD1 3.71Å |
| 874 | R | 93.4 | Very high | 91.6 | Very high | 41 Ų | 41 | 15.6 Ų | 15.6 | 16% | 0.155 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 174.7 | -76.2 | 168.2 | 58.1 | -169.2 | -11.7 | 111.2 | P870 L871 R877 C878 P936 S937 E938 L940 | P870-R874 WeakPolarHBondContact O-CB 3.47Å; P870-R874 WeakPolarHBondContact O-CG 3.49Å; P870-R874 PolarHBondContact O-N 3.44Å; L871-R874 PolarHBondContact O-N 2.94Å; R874-R877 PolarHBondContact O-N 3.29Å; R874-C878 WeakPolarHBondContact O-CB 2.91Å; R874-C878 PolarHBondContact O-N 3.29Å; R874-P936 HydrophobicContact CB-CB 4.35Å; R874-S937 PolarHBondContact NE-O 3.09Å; R874-S937 PolarHBondContact NH2-O 3.07Å; R874-E938 VanDerWaalsContact CZ-C 3.5Å; R874-E938 IonicContact CZ-OE2 4Å; R874-E938 PolarHBondContact NE-O 3Å; R874-E938 PolarHBondContact NH1-O 3.03Å; R874-E938 IonicContact NH1-OE2 2.74Å; R874-E938 VanDerWaalsContact NH2-CA 3.25Å; R874-E938 PolarHBondContact NH2-O 3.26Å; R874-E938 IonicContact NH2-OE2 3.31Å; R874-E938 PolarHBondContact NH2-OE2 2.99Å; R874-L940 HydrophobicContact CG-CB 4.28Å; R874-L940 HydrophobicContact CG-CD1 3.72Å |
| 875 | E | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 176.4 | -78 | -70 | -178.3 | 0 | 0 | 112 | R439 L440 L871 R877 C878 S879 P936 | R439-E875 IonicContact CZ-OE1 3.75Å; R439-E875 IonicContact CZ-OE2 2.76Å; R439-E875 IonicContact NE-OE1 3.74Å; R439-E875 PolarHBondContact NE-OE1 2.52Å; R439-E875 IonicContact NE-OE2 3.79Å; R439-E875 PolarHBondContact NE-OE2 3.38Å; R439-E875 VanDerWaalsContact NE-OE2 3.16Å; R439-E875 IonicContact NH2-OE1 2.62Å; R439-E875 IonicContact NH2-OE2 3.82Å; R439-E875 PolarHBondContact NH2-OE2 3.44Å; L440-E875 HydrophobicContact CD1-CB 4.49Å; L440-E875 HydrophobicContact CD2-CB 4.04Å; L440-E875 HydrophobicContact CD2-CG 3.9Å; L440-E875 HydrophobicContact CG-CB 4.29Å; L440-E875 HydrophobicContact CG-CG 4.25Å; L871-E875 HydrophobicContact CD1-CG 4.34Å; L871-E875 PolarHBondContact O-N 2.9Å; E875-R877 PolarHBondContact O-N 2.85Å; E875-C878 WeakPolarHBondContact O-CB 3.09Å; E875-C878 PolarHBondContact O-N 3.05Å; E875-S879 VanDerWaalsContact O-CB 3.3Å; E875-S879 WeakPolarHBondContact O-CB 3.44Å; E875-S879 PolarHBondContact O-N 3Å; E875-P936 HydrophobicContact CG-CG 4.22Å; E875-P936 WeakPolarHBondContact OE1-CD 3.3Å; E875-P936 VanDerWaalsContact OE1-CG 3.31Å; E875-P936 WeakPolarHBondContact OE1-CG 3.39Å |
| 876 | G | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I453 G457 L872 I873 L880 | I453-G876 WeakPolarHBondContact O-CA 3.44Å; G457-G876 VanDerWaalsContact CA-C 3.48Å; L872-G876 PolarHBondContact O-N 3.5Å; I873-G876 PolarHBondContact O-N 2.72Å; G876-L880 VanDerWaalsContact O-CB 3.3Å; G876-L880 WeakPolarHBondContact O-CB 3.21Å; G876-L880 PolarHBondContact O-N 2.88Å |
| 877 | R | 92.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.015 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.7 | -43.3 | 174.3 | -71.1 | 177.5 | -179.3 | -177.6 | -5 | 111.5 | I873 R874 E875 V881 H941 P945 H1024 | I873-R877 HydrophobicContact CG2-CG 4.48Å; I873-R877 VanDerWaalsContact O-CG 3.3Å; I873-R877 WeakPolarHBondContact O-CG 3.37Å; I873-R877 PolarHBondContact O-N 3.46Å; R874-R877 PolarHBondContact O-N 3.29Å; E875-R877 PolarHBondContact O-N 2.85Å; R877-V881 VanDerWaalsContact O-CG2 3.32Å; R877-V881 WeakPolarHBondContact O-CG2 3.31Å; R877-V881 PolarHBondContact O-N 3.17Å; R877-H941 PolarHBondContact NH1-O 3.41Å; R877-P945 HydrophobicContact CB-CG 4.37Å; R877-P945 HydrophobicContact CG-CG 4.17Å; R877-H1024 HydrophobicContact CB-CB 4.41Å |
| 878 | C | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | R874 E875 L880 V881 T882 G934 G935 P936 K1025 | R874-C878 WeakPolarHBondContact O-CB 2.91Å; R874-C878 PolarHBondContact O-N 3.29Å; E875-C878 WeakPolarHBondContact O-CB 3.09Å; E875-C878 PolarHBondContact O-N 3.05Å; C878-L880 PolarHBondContact O-N 3.19Å; C878-V881 PolarHBondContact O-N 3.44Å; C878-T882 VanDerWaalsContact O-CB 3.31Å; C878-T882 WeakPolarHBondContact O-CB 3.46Å; C878-T882 PolarHBondContact O-N 3.42Å; C878-T882 PolarHBondContact O-OG1 3.39Å; C878-G934 PolarHBondContact SG-O 3.15Å; C878-G935 VanDerWaalsContact SG-C 3.57Å; C878-P936 HydrophobicContact CB-CB 3.7Å; C878-K1025 HydrophobicContact CB-CG 4.37Å |
| 879 | S | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 179.1 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | G432 T433 N454 E875 V881 T882 S883 | G432-S879 PolarHBondContact O-OG 3.13Å; T433-S879 WeakPolarHBondContact CA-OG 3.29Å; N454-S879 VanDerWaalsContact OD1-C 3.3Å; N454-S879 WeakPolarHBondContact OD1-CB 3.33Å; N454-S879 PolarHBondContact OD1-OG 3.26Å; E875-S879 VanDerWaalsContact O-CB 3.3Å; E875-S879 WeakPolarHBondContact O-CB 3.44Å; E875-S879 PolarHBondContact O-N 3Å; S879-V881 PolarHBondContact O-N 3.06Å; S879-T882 CarbonylContact O-C 3.6Å; S879-T882 WeakPolarHBondContact O-CB 3.44Å; S879-T882 PolarHBondContact O-N 3.29Å; S879-T882 VanDerWaalsContact O-N 3.14Å; S879-S883 PolarHBondContact O-N 3.46Å; S879-S883 PolarHBondContact O-OG 2.74Å |
| 880 | L | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 178.4 | -171.7 | 64.6 | 0 | 0 | 0 | 112.1 | F371 N454 K458 G876 C878 T882 S883 F884 P945 | F371-L880 HydrophobicContact CE1-CD1 3.74Å; F371-L880 HydrophobicContact CZ-CD1 3.76Å; F371-L880 HydrophobicContact CZ-CD2 4.22Å; N454-L880 HydrophobicContact CB-CD1 4.09Å; N454-L880 WeakPolarHBondContact OD1-CA 3.49Å; N454-L880 PolarHBondContact OD1-N 3.16Å; K458-L880 HydrophobicContact CD-CD2 3.97Å; K458-L880 VanDerWaalsContact CE-CD2 3.45Å; K458-L880 HydrophobicContact CG-CD2 3.88Å; G876-L880 VanDerWaalsContact O-CB 3.3Å; G876-L880 WeakPolarHBondContact O-CB 3.21Å; G876-L880 PolarHBondContact O-N 2.88Å; C878-L880 PolarHBondContact O-N 3.19Å; L880-T882 PolarHBondContact O-N 3.48Å; L880-S883 PolarHBondContact O-N 3.38Å; L880-F884 HydrophobicContact CD1-CD2 3.98Å; L880-F884 HydrophobicContact CD1-CE2 3.78Å; L880-F884 HydrophobicContact CG-CD2 4.01Å; L880-F884 HydrophobicContact CG-CE2 4Å; L880-F884 VanDerWaalsContact O-CD2 3.29Å; L880-F884 WeakPolarHBondContact O-CD2 3.41Å; L880-F884 PolarHBondContact O-N 3.42Å; L880-P945 HydrophobicContact CD2-CB 4.24Å; L880-P945 HydrophobicContact CD2-CG 3.83Å |
| 881 | V | 89.9 | Confident | 91 | Very high | 17 Ų | 17 | 6.3 Ų | 6.3 | 10% | 0.103 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | R877 C878 S879 F884 S885 P945 H1024 K1025 | R877-V881 VanDerWaalsContact O-CG2 3.32Å; R877-V881 WeakPolarHBondContact O-CG2 3.31Å; R877-V881 PolarHBondContact O-N 3.17Å; C878-V881 PolarHBondContact O-N 3.44Å; S879-V881 PolarHBondContact O-N 3.06Å; V881-F884 PolarHBondContact O-N 2.69Å; V881-S885 WeakPolarHBondContact O-CB 3.45Å; V881-S885 PolarHBondContact O-N 2.95Å; V881-S885 PolarHBondContact O-OG 2.95Å; V881-P945 HydrophobicContact CG2-CB 3.77Å; V881-H1024 HydrophobicContact CG2-CB 3.92Å; V881-K1025 HydrophobicContact CB-CD 4.43Å; V881-K1025 HydrophobicContact CG1-CD 4Å; V881-K1025 HydrophobicContact CG1-CG 4.44Å |
| 882 | T | 90.5 | Very high | 91 | Very high | 2 Ų | 2 | 5.4 Ų | 5.4 | 1% | 0.012 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | C878 S879 L880 F884 S885 L886 K1025 | C878-T882 VanDerWaalsContact O-CB 3.31Å; C878-T882 WeakPolarHBondContact O-CB 3.46Å; C878-T882 PolarHBondContact O-N 3.42Å; C878-T882 PolarHBondContact O-OG1 3.39Å; S879-T882 CarbonylContact O-C 3.6Å; S879-T882 WeakPolarHBondContact O-CB 3.44Å; S879-T882 PolarHBondContact O-N 3.29Å; S879-T882 VanDerWaalsContact O-N 3.14Å; L880-T882 PolarHBondContact O-N 3.48Å; T882-F884 VanDerWaalsContact C-N 3.32Å; T882-F884 PolarHBondContact O-N 3.3Å; T882-S885 PolarHBondContact O-N 3.42Å; T882-S885 VanDerWaalsContact O-N 3.16Å; T882-L886 HydrophobicContact CG2-CD1 3.79Å; T882-L886 HydrophobicContact CG2-CG 4.46Å; T882-L886 WeakPolarHBondContact O-CB 3.37Å; T882-L886 WeakPolarHBondContact O-CG 3.18Å; T882-L886 PolarHBondContact O-N 2.86Å; T882-K1025 WeakPolarHBondContact OG1-CD 3.27Å; T882-K1025 WeakPolarHBondContact OG1-CE 3.32Å; T882-K1025 PolarHBondContact OG1-NZ 2.92Å |
| 883 | S | 88.7 | Confident | 90.8 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 175.1 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | I429 S879 L880 F887 | I429-S883 PolarHBondContact O-OG 3.36Å; I429-S883 VanDerWaalsContact O-OG 3.07Å; S879-S883 PolarHBondContact O-N 3.46Å; S879-S883 PolarHBondContact O-OG 2.74Å; L880-S883 PolarHBondContact O-N 3.38Å; S883-F887 VanDerWaalsContact O-CB 3.26Å; S883-F887 WeakPolarHBondContact O-CB 3.31Å; S883-F887 PolarHBondContact O-N 3.4Å |
| 884 | F | 87.7 | Confident | 90.7 | Very high | 10 Ų | 10 | 5.6 Ų | 5.6 | 4% | 0.044 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 172.3 | -94.1 | -98.8 | 0 | 0 | 0 | 112.6 | F373 L880 V881 T882 F887 R888 P946 L949 | F373-F884 AromaticContact CD2-CD2 3.71Å; F373-F884 HydrophobicContact CD2-CD2 3.71Å; F373-F884 HydrophobicContact CD2-CE1 4.37Å; F373-F884 AromaticContact CD2-CE2 3.28Å; F373-F884 HydrophobicContact CD2-CE2 3.28Å; F373-F884 HydrophobicContact CD2-CG 4.43Å; F373-F884 AromaticContact CD2-CZ 3.64Å; F373-F884 HydrophobicContact CD2-CZ 3.64Å; F373-F884 AromaticContact CE2-CD2 3.63Å; F373-F884 HydrophobicContact CE2-CD2 3.63Å; F373-F884 AromaticContact CE2-CE2 3.73Å; F373-F884 HydrophobicContact CE2-CE2 3.73Å; F373-F884 HydrophobicContact CE2-CG 4.08Å; F373-F884 HydrophobicContact CE2-CZ 4.22Å; F373-F884 HydrophobicContact CG-CE2 4.27Å; L880-F884 HydrophobicContact CD1-CD2 3.98Å; L880-F884 HydrophobicContact CD1-CE2 3.78Å; L880-F884 HydrophobicContact CG-CD2 4.01Å; L880-F884 HydrophobicContact CG-CE2 4Å; L880-F884 VanDerWaalsContact O-CD2 3.29Å; L880-F884 WeakPolarHBondContact O-CD2 3.41Å; L880-F884 PolarHBondContact O-N 3.42Å; V881-F884 PolarHBondContact O-N 2.69Å; T882-F884 VanDerWaalsContact C-N 3.32Å; T882-F884 PolarHBondContact O-N 3.3Å; F884-F887 PolarHBondContact O-N 2.91Å; F884-R888 WeakPolarHBondContact O-CB 3.27Å; F884-R888 WeakPolarHBondContact O-CG 3.31Å; F884-R888 PolarHBondContact O-N 2.97Å; F884-P946 HydrophobicContact CD1-CG 4.38Å; F884-P946 HydrophobicContact CE1-CB 4.41Å; F884-P946 HydrophobicContact CE1-CG 4.23Å; F884-P946 WeakPolarHBondContact CE2-O 3.35Å; F884-L949 HydrophobicContact CD1-CD2 3.39Å; F884-L949 HydrophobicContact CD1-CG 4.32Å; F884-L949 HydrophobicContact CE1-CB 4.48Å; F884-L949 HydrophobicContact CE1-CD2 3.37Å; F884-L949 HydrophobicContact CE1-CG 3.82Å; F884-L949 HydrophobicContact CG-CD2 4.13Å; F884-L949 HydrophobicContact CZ-CD2 4.11Å; F884-L949 HydrophobicContact CZ-CG 4.17Å |
| 885 | S | 89.1 | Confident | 90.6 | Very high | 5 Ų | 5 | 4.2 Ų | 4.2 | 4% | 0.035 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -67.7 | -45 | 179 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | V881 T882 F887 R888 Y889 V1018 | V881-S885 WeakPolarHBondContact O-CB 3.45Å; V881-S885 PolarHBondContact O-N 2.95Å; V881-S885 PolarHBondContact O-OG 2.95Å; T882-S885 PolarHBondContact O-N 3.42Å; T882-S885 VanDerWaalsContact O-N 3.16Å; S885-F887 VanDerWaalsContact C-N 3.34Å; S885-F887 PolarHBondContact O-N 2.71Å; S885-R888 PolarHBondContact O-N 2.88Å; S885-Y889 VanDerWaalsContact O-CB 3.32Å; S885-Y889 WeakPolarHBondContact O-CB 3.27Å; S885-Y889 PolarHBondContact O-N 2.92Å; S885-V1018 WeakPolarHBondContact O-CG1 3.3Å; S885-V1018 PolarHBondContact OG-O 3.24Å |
| 886 | L | 89.9 | Confident | 90.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 174.2 | -75.3 | 162.6 | 0 | 0 | 0 | 111.4 | A428 T882 Y889 M890 A928 M931 | A428-L886 VanDerWaalsContact O-CD1 3.24Å; A428-L886 WeakPolarHBondContact O-CD1 3.26Å; T882-L886 HydrophobicContact CG2-CD1 3.79Å; T882-L886 HydrophobicContact CG2-CG 4.46Å; T882-L886 WeakPolarHBondContact O-CB 3.37Å; T882-L886 WeakPolarHBondContact O-CG 3.18Å; T882-L886 PolarHBondContact O-N 2.86Å; L886-Y889 PolarHBondContact O-N 2.81Å; L886-M890 WeakPolarHBondContact O-CB 3.44Å; L886-M890 VanDerWaalsContact O-CG 3.24Å; L886-M890 WeakPolarHBondContact O-CG 3.33Å; L886-M890 PolarHBondContact O-N 2.9Å; L886-A928 HydrophobicContact CD2-CB 4.11Å; L886-A928 WeakPolarHBondContact CD2-O 3.38Å; L886-M931 HydrophobicContact CB-CE 4.19Å; L886-M931 HydrophobicContact CD2-CE 3.17Å; L886-M931 HydrophobicContact CG-CE 3.63Å |
| 887 | F | 88.1 | Confident | 90.6 | Very high | 6 Ų | 6 | 4.5 Ų | 4.5 | 3% | 0.026 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.9 | -180 | -88.2 | 0 | 0 | 0 | 112.7 | A377 F380 L425 I429 S883 F884 S885 Y889 M890 A891 L949 | A377-F887 HydrophobicContact CB-CD2 4.49Å; A377-F887 HydrophobicContact CB-CE2 3.89Å; F380-F887 HydrophobicContact CB-CE1 4.5Å; F380-F887 HydrophobicContact CB-CZ 3.76Å; F380-F887 AromaticContact CD1-CE1 3.85Å; F380-F887 HydrophobicContact CD1-CE1 3.85Å; F380-F887 HydrophobicContact CD1-CE2 4.15Å; F380-F887 AromaticContact CD1-CZ 3.24Å; F380-F887 HydrophobicContact CD1-CZ 3.24Å; F380-F887 HydrophobicContact CD2-CE1 4.36Å; F380-F887 HydrophobicContact CD2-CZ 4.33Å; F380-F887 HydrophobicContact CE1-CE1 4.12Å; F380-F887 AromaticContact CE1-CZ 3.88Å; F380-F887 HydrophobicContact CE1-CZ 3.88Å; F380-F887 AromaticContact CG-CE1 3.96Å; F380-F887 HydrophobicContact CG-CE1 3.96Å; F380-F887 AromaticContact CG-CZ 3.5Å; F380-F887 HydrophobicContact CG-CZ 3.5Å; F380-F887 VanDerWaalsContact CG-CZ 3.5Å; L425-F887 HydrophobicContact CD1-CD2 4.01Å; L425-F887 HydrophobicContact CD1-CE2 4.33Å; I429-F887 HydrophobicContact CD1-CD2 4.13Å; I429-F887 HydrophobicContact CG1-CD2 4.47Å; S883-F887 VanDerWaalsContact O-CB 3.26Å; S883-F887 WeakPolarHBondContact O-CB 3.31Å; S883-F887 PolarHBondContact O-N 3.4Å; F884-F887 PolarHBondContact O-N 2.91Å; S885-F887 VanDerWaalsContact C-N 3.34Å; S885-F887 PolarHBondContact O-N 2.71Å; F887-Y889 VanDerWaalsContact C-N 3.33Å; F887-Y889 PolarHBondContact O-N 3.3Å; F887-M890 PolarHBondContact O-N 2.97Å; F887-A891 WeakPolarHBondContact O-CB 3.35Å; F887-A891 PolarHBondContact O-N 3.01Å; F887-L949 HydrophobicContact CB-CD2 4.43Å; F887-L949 HydrophobicContact CD1-CD1 4Å; F887-L949 HydrophobicContact CD1-CD2 3.47Å; F887-L949 VanDerWaalsContact CD1-CD2 3.47Å; F887-L949 HydrophobicContact CD1-CG 4.31Å; F887-L949 HydrophobicContact CD2-CD1 4.09Å; F887-L949 HydrophobicContact CE1-CB 4.42Å; F887-L949 HydrophobicContact CE1-CD1 3.85Å; F887-L949 HydrophobicContact CE1-CD2 3.82Å; F887-L949 HydrophobicContact CE1-CG 4.26Å; F887-L949 HydrophobicContact CE2-CD1 3.95Å; F887-L949 HydrophobicContact CG-CD1 4.08Å; F887-L949 HydrophobicContact CG-CD2 3.99Å; F887-L949 HydrophobicContact CZ-CD1 3.79Å |
| 888 | R | 88.9 | Confident | 90.6 | Very high | 18 Ų | 18 | 5 Ų | 5 | 7% | 0.068 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 178.6 | -79 | 175.5 | 65.2 | 159.5 | -10.1 | 111.5 | F884 S885 A891 L892 V954 S957 V1018 E1089 | F884-R888 WeakPolarHBondContact O-CB 3.27Å; F884-R888 WeakPolarHBondContact O-CG 3.31Å; F884-R888 PolarHBondContact O-N 2.97Å; S885-R888 PolarHBondContact O-N 2.88Å; R888-A891 PolarHBondContact O-N 3.09Å; R888-L892 WeakPolarHBondContact O-CB 3.33Å; R888-L892 WeakPolarHBondContact O-CG 3.21Å; R888-L892 PolarHBondContact O-N 3.41Å; R888-V954 HydrophobicContact CG-CG1 4.29Å; R888-S957 PolarHBondContact NH2-OG 3.37Å; R888-V1018 HydrophobicContact CB-CG1 3.45Å; R888-V1018 VanDerWaalsContact CB-CG1 3.45Å; R888-V1018 HydrophobicContact CB-CG2 4.44Å; R888-V1018 HydrophobicContact CG-CG1 4.49Å; R888-E1089 IonicContact CZ-OE1 3.29Å; R888-E1089 IonicContact NH1-OE1 2.89Å; R888-E1089 PolarHBondContact NH1-OE1 3.1Å; R888-E1089 IonicContact NH2-OE1 2.78Å; R888-E1089 PolarHBondContact NH2-OE1 2.78Å; R888-E1089 IonicContact NH2-OE2 3.18Å; R888-E1089 PolarHBondContact NH2-OE2 3.05Å |
| 889 | Y | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 0% | 0.004 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 175.1 | 179.1 | -116.7 | 0 | 0 | 0 | 111.1 | S885 L886 F887 A891 L892 Y893 V924 L927 A928 M931 Y1011 M1014 A1015 | S885-Y889 VanDerWaalsContact O-CB 3.32Å; S885-Y889 WeakPolarHBondContact O-CB 3.27Å; S885-Y889 PolarHBondContact O-N 2.92Å; L886-Y889 PolarHBondContact O-N 2.81Å; F887-Y889 VanDerWaalsContact C-N 3.33Å; F887-Y889 PolarHBondContact O-N 3.3Å; Y889-A891 VanDerWaalsContact C-N 3.34Å; Y889-A891 PolarHBondContact O-N 3.35Å; Y889-L892 PolarHBondContact O-N 2.96Å; Y889-Y893 PolarHBondContact O-N 2.92Å; Y889-V924 HydrophobicContact CE1-CG1 3.99Å; Y889-L927 HydrophobicContact CE1-CB 4.46Å; Y889-A928 HydrophobicContact CD1-CB 4.39Å; Y889-A928 HydrophobicContact CE1-CB 4.22Å; Y889-M931 HydrophobicContact CD1-CE 4.01Å; Y889-M931 HydrophobicContact CG-CE 4.11Å; Y889-Y1011 WeakPolarHBondContact CE2-O 3.26Å; Y889-M1014 HydrophobicContact CD2-CB 4.36Å; Y889-M1014 HydrophobicContact CE2-CB 4.47Å; Y889-A1015 HydrophobicContact CD2-CB 4.12Å; Y889-A1015 HydrophobicContact CE2-CB 3.64Å |
| 890 | M | 89.7 | Confident | 90.7 | Very high | 3 Ų | 3 | 5.8 Ų | 5.8 | 2% | 0.015 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 178 | -73.5 | -53.9 | -176.6 | 0 | 0 | 112.8 | A424 L425 A428 L886 F887 Y893 S894 V924 A928 | A424-M890 HydrophobicContact CB-CE 4.25Å; L425-M890 HydrophobicContact CD1-CB 3.52Å; L425-M890 HydrophobicContact CD1-CG 4.16Å; A428-M890 HydrophobicContact CB-CE 3.46Å; A428-M890 VanDerWaalsContact CB-CE 3.46Å; A428-M890 HydrophobicContact CB-CG 3.65Å; A428-M890 HydrophobicContact CB-SD 4.34Å; L886-M890 WeakPolarHBondContact O-CB 3.44Å; L886-M890 VanDerWaalsContact O-CG 3.24Å; L886-M890 WeakPolarHBondContact O-CG 3.33Å; L886-M890 PolarHBondContact O-N 2.9Å; F887-M890 PolarHBondContact O-N 2.97Å; M890-Y893 HydrophobicContact CB-CE1 4.49Å; M890-Y893 WeakPolarHBondContact O-CD1 3.24Å; M890-Y893 WeakPolarHBondContact O-CE1 3.48Å; M890-Y893 HydrophobicContact SD-CD1 3.76Å; M890-Y893 HydrophobicContact SD-CE1 3.52Å; M890-Y893 VanDerWaalsContact SD-CE1 3.52Å; M890-S894 PolarHBondContact O-N 2.76Å; M890-V924 HydrophobicContact CE-CG1 4.48Å; M890-V924 HydrophobicContact SD-CG1 4.24Å; M890-A928 HydrophobicContact CE-CB 3.43Å; M890-A928 VanDerWaalsContact CE-CB 3.43Å |
| 891 | A | 89.2 | Confident | 90.7 | Very high | 2 Ų | 2 | 6 Ų | 6 | 2% | 0.017 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.7 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | F380 F887 R888 Y889 S894 L895 L958 | F380-A891 HydrophobicContact CE1-CB 3.63Å; F380-A891 HydrophobicContact CZ-CB 3.63Å; F887-A891 WeakPolarHBondContact O-CB 3.35Å; F887-A891 PolarHBondContact O-N 3.01Å; R888-A891 PolarHBondContact O-N 3.09Å; Y889-A891 VanDerWaalsContact C-N 3.34Å; Y889-A891 PolarHBondContact O-N 3.35Å; A891-S894 PolarHBondContact O-N 3.14Å; A891-L895 VanDerWaalsContact O-CG 3.31Å; A891-L895 WeakPolarHBondContact O-CG 3.25Å; A891-L895 PolarHBondContact O-N 3.41Å; A891-L895 VanDerWaalsContact O-N 3.09Å; A891-L958 HydrophobicContact CB-CD1 3.92Å; A891-L958 HydrophobicContact CB-CD2 4.46Å |
| 892 | L | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | -178.6 | -74.9 | 166.7 | 0 | 0 | 0 | 112.3 | R888 Y889 S894 L895 I896 L958 H961 I965 M1014 V1018 | R888-L892 WeakPolarHBondContact O-CB 3.33Å; R888-L892 WeakPolarHBondContact O-CG 3.21Å; R888-L892 PolarHBondContact O-N 3.41Å; Y889-L892 PolarHBondContact O-N 2.96Å; L892-S894 PolarHBondContact O-N 3.27Å; L892-L895 PolarHBondContact O-N 3.48Å; L892-I896 VanDerWaalsContact O-CG1 3.23Å; L892-I896 WeakPolarHBondContact O-CG1 3.5Å; L892-I896 PolarHBondContact O-N 2.93Å; L892-L958 HydrophobicContact CD1-CD1 4.27Å; L892-L958 HydrophobicContact CD2-CD1 3.86Å; L892-L958 HydrophobicContact CD2-CG 4.17Å; L892-L958 HydrophobicContact CG-CD1 3.64Å; L892-L958 HydrophobicContact CG-CG 4.49Å; L892-H961 HydrophobicContact CD1-CB 4.49Å; L892-H961 HydrophobicContact CD2-CB 3.9Å; L892-I965 HydrophobicContact CD2-CD1 4.18Å; L892-M1014 HydrophobicContact CB-CG 4.45Å; L892-M1014 HydrophobicContact CD1-CG 4.47Å; L892-M1014 HydrophobicContact CD1-SD 3.98Å; L892-V1018 HydrophobicContact CD1-CG2 3.61Å |
| 893 | Y | 91.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 7.3 Ų | 7.3 | 3% | 0.031 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.9 | 105.3 | -100.2 | 0 | 0 | 0 | 111 | P422 Y889 M890 L895 I896 Q897 V924 Y1011 | P422-Y893 WeakPolarHBondContact CA-OH 3.42Å; P422-Y893 HydrophobicContact CB-CE1 3.44Å; P422-Y893 VanDerWaalsContact CB-CE1 3.44Å; P422-Y893 WeakPolarHBondContact CB-OH 3.43Å; P422-Y893 HydrophobicContact CG-CE1 4.25Å; Y889-Y893 PolarHBondContact O-N 2.92Å; M890-Y893 HydrophobicContact CB-CE1 4.49Å; M890-Y893 WeakPolarHBondContact O-CD1 3.24Å; M890-Y893 WeakPolarHBondContact O-CE1 3.48Å; M890-Y893 HydrophobicContact SD-CD1 3.76Å; M890-Y893 HydrophobicContact SD-CE1 3.52Å; M890-Y893 VanDerWaalsContact SD-CE1 3.52Å; Y893-L895 PolarHBondContact O-N 3.43Å; Y893-I896 WeakPolarHBondContact O-CB 3.34Å; Y893-I896 PolarHBondContact O-N 3.23Å; Y893-I896 VanDerWaalsContact O-N 3.09Å; Y893-Q897 PolarHBondContact O-N 3.12Å; Y893-V924 HydrophobicContact CD1-CG1 3.81Å; Y893-V924 HydrophobicContact CD2-CG1 4.27Å; Y893-V924 HydrophobicContact CD2-CG2 4.03Å; Y893-V924 HydrophobicContact CE1-CG1 4.09Å; Y893-V924 HydrophobicContact CG-CG1 3.92Å; Y893-V924 HydrophobicContact CG-CG2 4.04Å; Y893-Y1011 HydrophobicContact CD2-CE1 4.22Å |
| 894 | S | 91 | Very high | 90.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111 | I419 A420 M890 A891 L892 Q897 F898 | I419-S894 PolarHBondContact O-OG 3.42Å; A420-S894 WeakPolarHBondContact CA-OG 3.44Å; A420-S894 PolarHBondContact O-OG 3.13Å; M890-S894 PolarHBondContact O-N 2.76Å; A891-S894 PolarHBondContact O-N 3.14Å; L892-S894 PolarHBondContact O-N 3.27Å; S894-Q897 PolarHBondContact O-N 3.01Å; S894-F898 WeakPolarHBondContact O-CB 3.34Å; S894-F898 PolarHBondContact O-N 2.93Å |
| 895 | L | 91.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 7.3 Ų | 7.3 | 6% | 0.063 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -69 | -37.5 | 173.5 | -67.8 | 170 | 0 | 0 | 0 | 113 | L384 A891 L892 Y893 C899 L958 T962 | L384-L895 HydrophobicContact CD1-CD2 3.87Å; L384-L895 HydrophobicContact CD1-CG 4.43Å; A891-L895 VanDerWaalsContact O-CG 3.31Å; A891-L895 WeakPolarHBondContact O-CG 3.25Å; A891-L895 PolarHBondContact O-N 3.41Å; A891-L895 VanDerWaalsContact O-N 3.09Å; L892-L895 PolarHBondContact O-N 3.48Å; Y893-L895 PolarHBondContact O-N 3.43Å; L895-C899 WeakPolarHBondContact O-CB 3.49Å; L895-C899 PolarHBondContact O-N 2.99Å; L895-C899 PolarHBondContact O-SG 3.45Å; L895-L958 HydrophobicContact CD1-CD2 4.37Å; L895-T962 HydrophobicContact CB-CG2 4.24Å; L895-T962 HydrophobicContact CD1-CG2 4.13Å; L895-T962 WeakPolarHBondContact CD1-OG1 3.42Å |
| 896 | I | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.8 | -51 | 172.8 | -70.1 | 161.2 | 0 | 0 | 0 | 109.6 | L892 Y893 C899 S900 I965 Q969 Q1010 Y1011 M1014 | L892-I896 VanDerWaalsContact O-CG1 3.23Å; L892-I896 WeakPolarHBondContact O-CG1 3.5Å; L892-I896 PolarHBondContact O-N 2.93Å; Y893-I896 WeakPolarHBondContact O-CB 3.34Å; Y893-I896 PolarHBondContact O-N 3.23Å; Y893-I896 VanDerWaalsContact O-N 3.09Å; I896-C899 PolarHBondContact O-N 3.38Å; I896-S900 PolarHBondContact O-N 3.06Å; I896-S900 PolarHBondContact O-OG 2.9Å; I896-S900 VanDerWaalsContact O-OG 3.09Å; I896-I965 HydrophobicContact CB-CG2 4.29Å; I896-I965 HydrophobicContact CD1-CD1 4.02Å; I896-I965 HydrophobicContact CG1-CD1 3.74Å; I896-I965 HydrophobicContact CG1-CG1 4.25Å; I896-I965 HydrophobicContact CG1-CG2 3.55Å; I896-Q969 PolarHBondContact O-NE2 3.24Å; I896-Q1010 HydrophobicContact CD1-CB 4.02Å; I896-Q1010 HydrophobicContact CG1-CB 4.45Å; I896-Q1010 HydrophobicContact CG2-CB 4.39Å; I896-Y1011 HydrophobicContact CB-CD1 4.23Å; I896-Y1011 HydrophobicContact CB-CE1 3.63Å; I896-Y1011 HydrophobicContact CD1-CD1 3.84Å; I896-Y1011 HydrophobicContact CD1-CE1 4.14Å; I896-Y1011 HydrophobicContact CG1-CE1 4.47Å; I896-Y1011 HydrophobicContact CG2-CD1 3.99Å; I896-Y1011 HydrophobicContact CG2-CE1 3.39Å; I896-Y1011 HydrophobicContact CG2-CE2 4.24Å; I896-M1014 HydrophobicContact CD1-CG 3.89Å |
| 897 | Q | 92.5 | Very high | 90.6 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 3% | 0.028 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.1 | -44.8 | -177.9 | -166.4 | 177.4 | -3.4 | 0 | 0 | 111.7 | I419 Y893 S894 C899 S900 V901 F916 D920 Y1011 | I419-Q897 HydrophobicContact CG2-CB 4.07Å; I419-Q897 HydrophobicContact CG2-CG 3.68Å; Y893-Q897 PolarHBondContact O-N 3.12Å; S894-Q897 PolarHBondContact O-N 3.01Å; Q897-C899 VanDerWaalsContact C-N 3.33Å; Q897-C899 PolarHBondContact O-N 2.86Å; Q897-S900 PolarHBondContact O-N 3.34Å; Q897-V901 VanDerWaalsContact O-CG2 3.31Å; Q897-V901 WeakPolarHBondContact O-CG2 3.38Å; Q897-V901 PolarHBondContact O-N 3.44Å; Q897-F916 HydrophobicContact CG-CD1 4.27Å; Q897-F916 HydrophobicContact CG-CE1 3.9Å; Q897-D920 PolarHBondContact OE1-OD1 2.93Å; Q897-Y1011 WeakPolarHBondContact CA-OH 3.29Å; Q897-Y1011 WeakPolarHBondContact CB-OH 3.35Å |
| 898 | F | 92.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 14.5 Ų | 14.5 | 7% | 0.07 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 174.9 | 174.9 | -98.3 | 0 | 0 | 0 | 111.6 | I387 V416 A420 S894 V901 L902 | I387-F898 HydrophobicContact CG2-CE1 3.85Å; I387-F898 HydrophobicContact CG2-CZ 4Å; V416-F898 HydrophobicContact CG1-CD2 3.88Å; V416-F898 HydrophobicContact CG1-CE2 3.37Å; V416-F898 HydrophobicContact CG1-CZ 4.39Å; A420-F898 HydrophobicContact CB-CD2 4.04Å; A420-F898 HydrophobicContact CB-CE2 4.41Å; S894-F898 WeakPolarHBondContact O-CB 3.34Å; S894-F898 PolarHBondContact O-N 2.93Å; F898-V901 PolarHBondContact O-N 2.84Å; F898-L902 HydrophobicContact CD1-CD1 3.89Å; F898-L902 HydrophobicContact CD1-CG 4.42Å; F898-L902 HydrophobicContact CE1-CD1 3.32Å; F898-L902 HydrophobicContact CE1-CG 4.19Å; F898-L902 HydrophobicContact CE2-CD1 4.32Å; F898-L902 HydrophobicContact CZ-CD1 3.59Å; F898-L902 HydrophobicContact CZ-CG 4.26Å; F898-L902 WeakPolarHBondContact O-CG 3.14Å; F898-L902 PolarHBondContact O-N 3.45Å |
| 899 | C | 92.7 | Very high | 90.4 | Very high | 14 Ų | 14 | 13.6 Ų | 13.6 | 10% | 0.095 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L895 I896 Q897 V901 L902 I903 V966 | L895-C899 WeakPolarHBondContact O-CB 3.49Å; L895-C899 PolarHBondContact O-N 2.99Å; L895-C899 PolarHBondContact O-SG 3.45Å; I896-C899 PolarHBondContact O-N 3.38Å; Q897-C899 VanDerWaalsContact C-N 3.33Å; Q897-C899 PolarHBondContact O-N 2.86Å; C899-V901 VanDerWaalsContact C-N 3.27Å; C899-V901 PolarHBondContact O-N 3.27Å; C899-L902 PolarHBondContact O-N 3.15Å; C899-I903 VanDerWaalsContact O-CG1 3.3Å; C899-I903 WeakPolarHBondContact O-CG1 3.4Å; C899-I903 PolarHBondContact O-N 2.92Å; C899-V966 HydrophobicContact CB-CG2 3.99Å; C899-V966 WeakPolarHBondContact SG-CG2 3.2Å |
| 900 | S | 93.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.6 | -45.4 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | I896 Q897 I903 L904 Q969 | I896-S900 PolarHBondContact O-N 3.06Å; I896-S900 PolarHBondContact O-OG 2.9Å; I896-S900 VanDerWaalsContact O-OG 3.09Å; Q897-S900 PolarHBondContact O-N 3.34Å; S900-I903 PolarHBondContact O-N 3.02Å; S900-L904 WeakPolarHBondContact O-CB 3.35Å; S900-L904 VanDerWaalsContact O-CG 3.29Å; S900-L904 WeakPolarHBondContact O-CG 3.49Å; S900-L904 PolarHBondContact O-N 3.25Å; S900-Q969 VanDerWaalsContact N-OE1 3.08Å; S900-Q969 PolarHBondContact OG-NE2 3.36Å; S900-Q969 VanDerWaalsContact OG-NE2 3.14Å; S900-Q969 PolarHBondContact OG-OE1 2.99Å |
| 901 | V | 91.1 | Very high | 90 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 3% | 0.03 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -70 | -38.5 | -179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | I419 Q897 F898 C899 N905 F916 | I419-V901 HydrophobicContact CD1-CB 4.42Å; I419-V901 HydrophobicContact CD1-CG1 4.02Å; I419-V901 HydrophobicContact CD1-CG2 4.01Å; Q897-V901 VanDerWaalsContact O-CG2 3.31Å; Q897-V901 WeakPolarHBondContact O-CG2 3.38Å; Q897-V901 PolarHBondContact O-N 3.44Å; F898-V901 PolarHBondContact O-N 2.84Å; C899-V901 VanDerWaalsContact C-N 3.27Å; C899-V901 PolarHBondContact O-N 3.27Å; V901-N905 WeakPolarHBondContact CG1-ND2 3.38Å; V901-N905 VanDerWaalsContact O-CB 3.28Å; V901-N905 WeakPolarHBondContact O-CB 3.39Å; V901-N905 PolarHBondContact O-N 3.25Å; V901-N905 PolarHBondContact O-ND2 3.03Å; V901-F916 HydrophobicContact CG2-CE1 3.92Å; V901-F916 HydrophobicContact CG2-CZ 3.68Å |
| 902 | L | 91.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 14 Ų | 14 | 15% | 0.152 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 174.5 | -74.1 | -173.6 | 0 | 0 | 0 | 112.5 | Y394 I395 F898 C899 T906 | Y394-L902 HydrophobicContact CD1-CD2 4.1Å; I395-L902 HydrophobicContact CD1-CD2 3.6Å; I395-L902 HydrophobicContact CG1-CD2 3.33Å; F898-L902 HydrophobicContact CD1-CD1 3.89Å; F898-L902 HydrophobicContact CD1-CG 4.42Å; F898-L902 HydrophobicContact CE1-CD1 3.32Å; F898-L902 HydrophobicContact CE1-CG 4.19Å; F898-L902 HydrophobicContact CE2-CD1 4.32Å; F898-L902 HydrophobicContact CZ-CD1 3.59Å; F898-L902 HydrophobicContact CZ-CG 4.26Å; F898-L902 WeakPolarHBondContact O-CG 3.14Å; F898-L902 PolarHBondContact O-N 3.45Å; C899-L902 PolarHBondContact O-N 3.15Å; L902-T906 PolarHBondContact O-N 3.47Å; L902-T906 VanDerWaalsContact O-N 3.16Å; L902-T906 PolarHBondContact O-OG1 3.42Å |
| 903 | I | 91.5 | Very high | 89.6 | Confident | 17 Ų | 17 | 15.8 Ų | 15.8 | 9% | 0.087 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.7 | -51 | 179.3 | -68.6 | 167.6 | 0 | 0 | 0 | 109.8 | C899 S900 N905 T906 Q969 L970 F973 V1003 | C899-I903 VanDerWaalsContact O-CG1 3.3Å; C899-I903 WeakPolarHBondContact O-CG1 3.4Å; C899-I903 PolarHBondContact O-N 2.92Å; S900-I903 PolarHBondContact O-N 3.02Å; I903-N905 PolarHBondContact O-N 2.95Å; I903-T906 WeakPolarHBondContact O-CB 3.37Å; I903-T906 PolarHBondContact O-N 2.83Å; I903-Q969 HydrophobicContact CD1-CB 3.64Å; I903-L970 HydrophobicContact CD1-CD2 3.88Å; I903-L970 HydrophobicContact CD1-CG 4.06Å; I903-L970 HydrophobicContact CG1-CD2 3.95Å; I903-F973 HydrophobicContact CG2-CB 4.32Å; I903-F973 HydrophobicContact CG2-CD2 4.36Å; I903-F973 HydrophobicContact CG2-CG 4.18Å; I903-V1003 HydrophobicContact CG2-CG2 4.43Å |
| 904 | L | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | -177.2 | -67.4 | 175.2 | 0 | 0 | 0 | 112.8 | S900 T906 V907 K908 T909 M911 E999 N1000 V1003 | S900-L904 WeakPolarHBondContact O-CB 3.35Å; S900-L904 VanDerWaalsContact O-CG 3.29Å; S900-L904 WeakPolarHBondContact O-CG 3.49Å; S900-L904 PolarHBondContact O-N 3.25Å; L904-T906 PolarHBondContact O-N 3.05Å; L904-V907 CarbonylContact O-C 3.58Å; L904-V907 PolarHBondContact O-N 3.38Å; L904-K908 PolarHBondContact O-N 2.84Å; L904-T909 CarbonylContact C-O 3.51Å; L904-T909 HydrophobicContact CB-CG2 4.01Å; L904-T909 HydrophobicContact CD2-CG2 3.88Å; L904-T909 HydrophobicContact CG-CG2 4.49Å; L904-T909 PolarHBondContact O-N 3.04Å; L904-M911 HydrophobicContact CD1-CE 3.78Å; L904-M911 HydrophobicContact CD1-CG 3.48Å; L904-M911 VanDerWaalsContact CD1-CG 3.48Å; L904-E999 HydrophobicContact CD2-CB 4.22Å; L904-N1000 HydrophobicContact CD1-CB 4.46Å; L904-N1000 WeakPolarHBondContact CD1-OD1 3.49Å; L904-N1000 HydrophobicContact CD2-CB 4.38Å; L904-V1003 HydrophobicContact CD1-CG1 4.46Å; L904-V1003 HydrophobicContact CD2-CB 4.19Å; L904-V1003 HydrophobicContact CD2-CG2 4.07Å; L904-V1003 HydrophobicContact CG-CG1 4.42Å |
| 905 | N | 86.4 | Confident | 89.5 | Confident | 10 Ų | 10 | 18.4 Ų | 18.4 | 5% | 0.053 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.2 | -27 | 177.6 | -80.7 | -52.5 | 0 | 0 | 0 | 112.7 | I395 V901 I903 V907 K908 T909 | I395-N905 HydrophobicContact CD1-CB 3.65Å; V901-N905 WeakPolarHBondContact CG1-ND2 3.38Å; V901-N905 VanDerWaalsContact O-CB 3.28Å; V901-N905 WeakPolarHBondContact O-CB 3.39Å; V901-N905 PolarHBondContact O-N 3.25Å; V901-N905 PolarHBondContact O-ND2 3.03Å; I903-N905 PolarHBondContact O-N 2.95Å; N905-V907 PolarHBondContact O-N 2.97Å; N905-K908 PolarHBondContact O-N 3.43Å; N905-K908 VanDerWaalsContact O-N 3.08Å; N905-T909 WeakPolarHBondContact CA-O 3.29Å; N905-T909 PolarHBondContact N-O 2.66Å; N905-T909 VanDerWaalsContact N-O 3.16Å; N905-T909 PolarHBondContact OD1-O 3.06Å |
| 906 | T | 88.1 | Confident | 89.3 | Confident | 60 Ų | 60 | 18.7 Ų | 18.7 | 37% | 0.368 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -61.5 | -31.5 | 173.5 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | Y394 I398 L902 I903 L904 | Y394-T906 WeakPolarHBondContact OH-CG2 3.36Å; Y394-T906 PolarHBondContact OH-OG1 3.32Å; I398-T906 HydrophobicContact CD1-CG2 4.33Å; L902-T906 PolarHBondContact O-N 3.47Å; L902-T906 VanDerWaalsContact O-N 3.16Å; L902-T906 PolarHBondContact O-OG1 3.42Å; I903-T906 WeakPolarHBondContact O-CB 3.37Å; I903-T906 PolarHBondContact O-N 2.83Å; L904-T906 PolarHBondContact O-N 3.05Å |
| 907 | V | 86.3 | Confident | 89 | Confident | 38 Ų | 38 | 20.4 Ų | 20.4 | 23% | 0.23 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 16.3 | 178.2 | -153.2 | 0 | 0 | 0 | 0 | 111.7 | L904 N905 T909 F973 L985 | L904-V907 CarbonylContact O-C 3.58Å; L904-V907 PolarHBondContact O-N 3.38Å; N905-V907 PolarHBondContact O-N 2.97Å; V907-T909 VanDerWaalsContact C-N 3.31Å; V907-T909 PolarHBondContact O-N 2.9Å; V907-F973 HydrophobicContact CB-CE2 4.5Å; V907-F973 HydrophobicContact CG1-CE2 4.48Å; V907-F973 HydrophobicContact CG1-CZ 4.4Å; V907-F973 HydrophobicContact CG2-CE1 4.39Å; V907-F973 HydrophobicContact CG2-CE2 3.55Å; V907-F973 HydrophobicContact CG2-CZ 3.42Å; V907-F973 VanDerWaalsContact CG2-CZ 3.42Å; V907-L985 HydrophobicContact CB-CD1 4.28Å; V907-L985 HydrophobicContact CG1-CD1 3.77Å; V907-L985 VanDerWaalsContact O-CD1 3.32Å; V907-L985 WeakPolarHBondContact O-CD1 3.23Å |
| 908 | K | 84.7 | Confident | 88.9 | Confident | 64 Ų | 64 | 21.2 Ų | 21.2 | 28% | 0.278 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 26.6 | 177 | -51.6 | 176.8 | 179.3 | -177.8 | 0 | 115 | T402 L904 N905 F990 G991 N994 | T402-K908 HydrophobicContact CG2-CD 3.86Å; T402-K908 HydrophobicContact CG2-CG 4.29Å; L904-K908 PolarHBondContact O-N 2.84Å; N905-K908 PolarHBondContact O-N 3.43Å; N905-K908 VanDerWaalsContact O-N 3.08Å; K908-F990 HydrophobicContact CB-CD2 3.8Å; K908-F990 HydrophobicContact CB-CE2 4.04Å; K908-F990 HydrophobicContact CG-CD2 4.29Å; K908-F990 HydrophobicContact CG-CE2 4.43Å; K908-G991 PolarHBondContact O-N 2.92Å; K908-G991 VanDerWaalsContact O-N 3.11Å; K908-N994 PolarHBondContact O-ND2 3.44Å |
| 909 | T | 87.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 174.2 | 172.2 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | L904 N905 V907 L985 N997 | L904-T909 CarbonylContact C-O 3.51Å; L904-T909 HydrophobicContact CB-CG2 4.01Å; L904-T909 HydrophobicContact CD2-CG2 3.88Å; L904-T909 HydrophobicContact CG-CG2 4.49Å; L904-T909 PolarHBondContact O-N 3.04Å; N905-T909 WeakPolarHBondContact CA-O 3.29Å; N905-T909 PolarHBondContact N-O 2.66Å; N905-T909 VanDerWaalsContact N-O 3.16Å; N905-T909 PolarHBondContact OD1-O 3.06Å; V907-T909 VanDerWaalsContact C-N 3.31Å; V907-T909 PolarHBondContact O-N 2.9Å; T909-L985 HydrophobicContact CG2-CD1 4.06Å; T909-N997 PolarHBondContact OG1-ND2 3.46Å |
| 910 | T | 85.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | trans | -144.3 | 167.2 | -177.1 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | A992 | T910-A992 HydrophobicContact CG2-CB 4.02Š| ||
| 911 | M | 87.4 | Confident | 88.2 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | trans | -74.7 | 153.3 | 170.5 | -70.1 | -133.1 | 165.9 | 0 | 0 | 111.4 | L904 F916 N1000 V1003 F1004 | L904-M911 HydrophobicContact CD1-CE 3.78Å; L904-M911 HydrophobicContact CD1-CG 3.48Å; L904-M911 VanDerWaalsContact CD1-CG 3.48Å; M911-F916 HydrophobicContact CB-CD2 4.19Å; M911-F916 HydrophobicContact CB-CE1 4.33Å; M911-F916 HydrophobicContact CB-CE2 3.69Å; M911-F916 HydrophobicContact CB-CZ 3.79Å; M911-F916 HydrophobicContact CG-CZ 4.49Å; M911-N1000 WeakPolarHBondContact CG-OD1 3.49Å; M911-V1003 HydrophobicContact CE-CB 4.38Å; M911-V1003 HydrophobicContact CE-CG1 3.89Å; M911-F1004 HydrophobicContact CE-CB 3.78Å; M911-F1004 HydrophobicContact CE-CD2 4.49Å; M911-F1004 HydrophobicContact SD-CB 4.25Å; M911-F1004 HydrophobicContact SD-CD2 4.03Å | ||
| 912 | A | 88.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | trans | -77.6 | 148.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L914 Q915 F916 L995 K1061 | A912-L914 VanDerWaalsContact C-N 3.3Å; A912-L914 PolarHBondContact O-N 3.37Å; A912-Q915 HydrophobicContact CB-CB 4.43Å; A912-Q915 HydrophobicContact CB-CG 3.93Å; A912-Q915 WeakPolarHBondContact O-CA 3.06Å; A912-Q915 VanDerWaalsContact O-CB 3.24Å; A912-Q915 WeakPolarHBondContact O-CB 3.27Å; A912-Q915 PolarHBondContact O-N 3.32Å; A912-F916 PolarHBondContact O-N 3.3Å; A912-F916 VanDerWaalsContact O-N 3.17Å; A912-L995 HydrophobicContact CB-CD1 3.93Å; A912-K1061 HydrophobicContact CB-CB 4.33Å; A912-K1061 HydrophobicContact CB-CD 4.32Å | ||
| 913 | D | 85.8 | Confident | 88.2 | Confident | 39 Ų | 39 | 25.6 Ų | 25.6 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | -176.7 | -51 | 3.1 | 0 | 0 | 0 | 112.9 | Y206 Q915 F916 L917 | Y206-D913 WeakPolarHBondContact CD1-OD1 3.33Å; Y206-D913 WeakPolarHBondContact CE1-OD1 3.38Å; D913-Q915 VanDerWaalsContact C-N 3.29Å; D913-Q915 PolarHBondContact O-N 2.83Å; D913-F916 PolarHBondContact O-N 3.49Å; D913-L917 PolarHBondContact O-N 3.43Å |
| 914 | L | 87.9 | Confident | 88.2 | Confident | 62 Ų | 62 | 25 Ų | 25 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -69.8 | -25.6 | 176.9 | -74 | 175.8 | 0 | 0 | 0 | 112.8 | A912 L917 F918 L1059 F1060 | A912-L914 VanDerWaalsContact C-N 3.3Å; A912-L914 PolarHBondContact O-N 3.37Å; L914-L917 HydrophobicContact CD2-CD2 4.18Å; L914-F918 VanDerWaalsContact O-CB 3.24Å; L914-F918 WeakPolarHBondContact O-CB 3.44Å; L914-F918 PolarHBondContact O-N 3.33Å; L914-L1059 HydrophobicContact CD1-CB 4.2Å; L914-L1059 HydrophobicContact CD1-CD2 3.68Å; L914-L1059 VanDerWaalsContact CD1-O 3.31Å; L914-L1059 WeakPolarHBondContact CD1-O 3.08Å; L914-F1060 HydrophobicContact CB-CD1 4.38Å; L914-F1060 HydrophobicContact CB-CE1 4.47Å; L914-F1060 WeakPolarHBondContact O-CE1 3.44Å |
| 915 | Q | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 172.7 | -65.9 | 170.5 | -14.3 | 0 | 0 | 110.6 | A912 D913 F918 C919 N1000 F1004 F1060 | A912-Q915 HydrophobicContact CB-CB 4.43Å; A912-Q915 HydrophobicContact CB-CG 3.93Å; A912-Q915 WeakPolarHBondContact O-CA 3.06Å; A912-Q915 VanDerWaalsContact O-CB 3.24Å; A912-Q915 WeakPolarHBondContact O-CB 3.27Å; A912-Q915 PolarHBondContact O-N 3.32Å; D913-Q915 VanDerWaalsContact C-N 3.29Å; D913-Q915 PolarHBondContact O-N 2.83Å; Q915-F918 PolarHBondContact O-N 3.29Å; Q915-C919 WeakPolarHBondContact O-CB 3.09Å; Q915-C919 PolarHBondContact O-N 3.14Å; Q915-C919 PolarHBondContact O-SG 3.24Å; Q915-N1000 PolarHBondContact NE2-ND2 3.44Å; Q915-N1000 PolarHBondContact OE1-ND2 2.95Å; Q915-N1000 PolarHBondContact OE1-OD1 3.23Å; Q915-F1004 HydrophobicContact CB-CD2 3.75Å; Q915-F1004 HydrophobicContact CB-CE2 3.56Å; Q915-F1004 HydrophobicContact CB-CZ 4.29Å; Q915-F1004 HydrophobicContact CG-CD2 3.84Å; Q915-F1004 HydrophobicContact CG-CE1 4.42Å; Q915-F1004 HydrophobicContact CG-CE2 3.72Å; Q915-F1004 HydrophobicContact CG-CG 4.26Å; Q915-F1004 HydrophobicContact CG-CZ 4.03Å; Q915-F1060 HydrophobicContact CG-CB 4.42Å; Q915-F1060 HydrophobicContact CG-CD1 3.89Å; Q915-F1060 PolarHBondContact NE2-O 3.4Å |
| 916 | F | 87.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 172.8 | -77.5 | -60.4 | 0 | 0 | 0 | 111.8 | Y209 Q897 V901 M911 A912 D913 F918 C919 D920 | Y209-F916 HydrophobicContact CD2-CB 4.43Å; Y209-F916 HydrophobicContact CE2-CB 4.4Å; Q897-F916 HydrophobicContact CG-CD1 4.27Å; Q897-F916 HydrophobicContact CG-CE1 3.9Å; V901-F916 HydrophobicContact CG2-CE1 3.92Å; V901-F916 HydrophobicContact CG2-CZ 3.68Å; M911-F916 HydrophobicContact CB-CD2 4.19Å; M911-F916 HydrophobicContact CB-CE1 4.33Å; M911-F916 HydrophobicContact CB-CE2 3.69Å; M911-F916 HydrophobicContact CB-CZ 3.79Å; M911-F916 HydrophobicContact CG-CZ 4.49Å; A912-F916 PolarHBondContact O-N 3.3Å; A912-F916 VanDerWaalsContact O-N 3.17Å; D913-F916 PolarHBondContact O-N 3.49Å; F916-F918 VanDerWaalsContact C-N 3.3Å; F916-F918 PolarHBondContact O-N 3.26Å; F916-C919 PolarHBondContact O-N 3.44Å; F916-D920 WeakPolarHBondContact O-CB 3.46Å; F916-D920 PolarHBondContact O-N 2.98Å |
| 917 | L | 87.6 | Confident | 88.4 | Confident | 36 Ų | 36 | 28 Ų | 28 | 19% | 0.188 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 178.9 | -173.7 | 67.9 | 0 | 0 | 0 | 112.1 | Y209 C212 D913 L914 L921 | Y209-L917 HydrophobicContact CD2-CB 4.42Å; Y209-L917 HydrophobicContact CD2-CD1 4.27Å; C212-L917 HydrophobicContact CB-CD1 3.86Å; D913-L917 PolarHBondContact O-N 3.43Å; L914-L917 HydrophobicContact CD2-CD2 4.18Å; L917-L921 HydrophobicContact CD1-CB 4.35Å; L917-L921 HydrophobicContact CD1-CD2 4.3Å; L917-L921 VanDerWaalsContact O-CB 3.31Å; L917-L921 WeakPolarHBondContact O-CB 3.47Å; L917-L921 PolarHBondContact O-N 3.01Å |
| 918 | F | 90.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 26.4 Ų | 26.4 | 10% | 0.101 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -65.3 | -44.6 | 176.9 | 175.6 | -99.4 | 0 | 0 | 0 | 112.3 | L914 Q915 F916 F922 L923 F1004 V1044 V1045 F1060 | L914-F918 VanDerWaalsContact O-CB 3.24Å; L914-F918 WeakPolarHBondContact O-CB 3.44Å; L914-F918 PolarHBondContact O-N 3.33Å; Q915-F918 PolarHBondContact O-N 3.29Å; F916-F918 VanDerWaalsContact C-N 3.3Å; F916-F918 PolarHBondContact O-N 3.26Å; F918-F922 HydrophobicContact CD2-CB 4Å; F918-F922 AromaticContact CD2-CD1 3.75Å; F918-F922 HydrophobicContact CD2-CD1 3.75Å; F918-F922 HydrophobicContact CD2-CG 4.13Å; F918-F922 HydrophobicContact CE2-CB 4.36Å; F918-F922 AromaticContact CE2-CD1 3.22Å; F918-F922 HydrophobicContact CE2-CD1 3.22Å; F918-F922 AromaticContact CE2-CE1 3.68Å; F918-F922 HydrophobicContact CE2-CE1 3.68Å; F918-F922 HydrophobicContact CE2-CG 4.02Å; F918-F922 AromaticContact CZ-CD1 3.77Å; F918-F922 HydrophobicContact CZ-CD1 3.77Å; F918-F922 HydrophobicContact CZ-CE1 4.11Å; F918-F922 WeakPolarHBondContact O-CA 3.46Å; F918-F922 VanDerWaalsContact O-CB 3.28Å; F918-F922 WeakPolarHBondContact O-CB 3.38Å; F918-F922 PolarHBondContact O-N 3.3Å; F918-F922 VanDerWaalsContact O-N 3.17Å; F918-L923 HydrophobicContact CD1-CD1 4.32Å; F918-L923 HydrophobicContact CD1-CG 4.29Å; F918-L923 HydrophobicContact CE1-CD1 3.98Å; F918-L923 HydrophobicContact CE1-CD2 3.92Å; F918-L923 HydrophobicContact CE1-CG 3.98Å; F918-L923 HydrophobicContact CZ-CD2 3.94Å; F918-L923 HydrophobicContact CZ-CG 4.43Å; F918-L923 PolarHBondContact O-N 2.86Å; F918-F1004 HydrophobicContact CD1-CE2 4.42Å; F918-F1004 HydrophobicContact CD1-CZ 4.08Å; F918-F1004 HydrophobicContact CE1-CZ 4.4Å; F918-V1044 HydrophobicContact CE2-CG1 4.26Å; F918-V1044 HydrophobicContact CZ-CG1 4.08Å; F918-V1045 HydrophobicContact CE1-CG2 4.39Å; F918-V1045 HydrophobicContact CZ-CG2 4.42Å; F918-F1060 HydrophobicContact CB-CE1 3.5Å; F918-F1060 HydrophobicContact CB-CZ 3.91Å; F918-F1060 HydrophobicContact CD1-CE1 4.34Å; F918-F1060 HydrophobicContact CD2-CE1 4.2Å; F918-F1060 AromaticContact CD2-CZ 3.74Å; F918-F1060 HydrophobicContact CD2-CZ 3.74Å; F918-F1060 HydrophobicContact CE2-CZ 4.37Å; F918-F1060 AromaticContact CG-CE1 3.78Å; F918-F1060 HydrophobicContact CG-CE1 3.78Å; F918-F1060 AromaticContact CG-CZ 3.81Å; F918-F1060 HydrophobicContact CG-CZ 3.81Å |
| 919 | C | 90.5 | Very high | 88.7 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -62.3 | -50 | 176.1 | -67.2 | 0 | 0 | 0 | 0 | 111.4 | Q915 F916 L923 V924 Y1011 | Q915-C919 WeakPolarHBondContact O-CB 3.09Å; Q915-C919 PolarHBondContact O-N 3.14Å; Q915-C919 PolarHBondContact O-SG 3.24Å; F916-C919 PolarHBondContact O-N 3.44Å; C919-L923 WeakPolarHBondContact O-CB 3.11Å; C919-L923 PolarHBondContact O-N 3.48Å; C919-V924 WeakPolarHBondContact O-CB 3.26Å; C919-V924 VanDerWaalsContact O-CG2 3.3Å; C919-V924 WeakPolarHBondContact O-CG2 3.42Å; C919-V924 PolarHBondContact O-N 2.92Å; C919-Y1011 HydrophobicContact CB-CD2 4.3Å; C919-Y1011 HydrophobicContact CB-CE2 3.78Å; C919-Y1011 VanDerWaalsContact SG-CE2 3.56Å |
| 920 | D | 88.1 | Confident | 88.9 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -75.2 | -47.5 | -170.9 | -70.6 | -1.8 | 0 | 0 | 0 | 112.6 | Y209 Q897 F916 T925 | Y209-D920 HydrophobicContact CE2-CB 4.41Å; Y209-D920 WeakPolarHBondContact CE2-OD2 3.44Å; Y209-D920 PolarHBondContact OH-OD2 3.07Å; Q897-D920 PolarHBondContact OE1-OD1 2.93Å; F916-D920 WeakPolarHBondContact O-CB 3.46Å; F916-D920 PolarHBondContact O-N 2.98Å; D920-T925 WeakPolarHBondContact O-CB 3.47Å; D920-T925 PolarHBondContact O-N 3.36Å; D920-T925 PolarHBondContact O-OG1 3.09Å |
| 921 | L | 85.9 | Confident | 89.1 | Confident | 65 Ų | 65 | 27.2 Ų | 27.2 | 34% | 0.34 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -88.6 | -47.2 | -173.7 | -172.9 | 60.2 | 0 | 0 | 0 | 112.4 | I216 L917 T925 | I216-L921 HydrophobicContact CD1-CD1 3.81Å; L917-L921 HydrophobicContact CD1-CB 4.35Å; L917-L921 HydrophobicContact CD1-CD2 4.3Å; L917-L921 VanDerWaalsContact O-CB 3.31Å; L917-L921 WeakPolarHBondContact O-CB 3.47Å; L917-L921 PolarHBondContact O-N 3.01Å; L921-T925 HydrophobicContact CD1-CG2 4.41Å; L921-T925 WeakPolarHBondContact O-CB 3.36Å |
| 922 | F | 89.7 | Confident | 88.9 | Confident | 77 Ų | 77 | 27 Ų | 27 | 34% | 0.338 | 14% | 0.139 | S | C | . | . | I | π-helix | trans | -79.1 | -55.5 | -176.1 | -175.1 | -104.7 | 0 | 0 | 0 | 111.1 | F918 M926 H1041 V1044 | F918-F922 HydrophobicContact CD2-CB 4Å; F918-F922 AromaticContact CD2-CD1 3.75Å; F918-F922 HydrophobicContact CD2-CD1 3.75Å; F918-F922 HydrophobicContact CD2-CG 4.13Å; F918-F922 HydrophobicContact CE2-CB 4.36Å; F918-F922 AromaticContact CE2-CD1 3.22Å; F918-F922 HydrophobicContact CE2-CD1 3.22Å; F918-F922 AromaticContact CE2-CE1 3.68Å; F918-F922 HydrophobicContact CE2-CE1 3.68Å; F918-F922 HydrophobicContact CE2-CG 4.02Å; F918-F922 AromaticContact CZ-CD1 3.77Å; F918-F922 HydrophobicContact CZ-CD1 3.77Å; F918-F922 HydrophobicContact CZ-CE1 4.11Å; F918-F922 WeakPolarHBondContact O-CA 3.46Å; F918-F922 VanDerWaalsContact O-CB 3.28Å; F918-F922 WeakPolarHBondContact O-CB 3.38Å; F918-F922 PolarHBondContact O-N 3.3Å; F918-F922 VanDerWaalsContact O-N 3.17Å; F922-M926 VanDerWaalsContact O-CB 3.27Å; F922-M926 WeakPolarHBondContact O-CB 3.28Å; F922-M926 WeakPolarHBondContact O-CG 3.45Å; F922-H1041 AromaticContact CD1-CD2 3.65Å; F922-H1041 AromaticContact CD1-NE2 3.53Å; F922-H1041 AromaticContact CE1-CD2 3.35Å; F922-H1041 WeakPolarHBondContact CE1-CD2 3.49Å; F922-H1041 AromaticContact CE1-NE2 3.43Å; F922-H1041 WeakPolarHBondContact CE1-NE2 3.37Å; F922-H1041 AromaticContact CG-NE2 3.97Å; F922-H1041 AromaticContact CZ-NE2 3.78Å; F922-H1041 PolarHBondContact O-NE2 3.27Å; F922-V1044 HydrophobicContact CE1-CG1 4.21Å |
| 923 | L | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -73.1 | -63.9 | -179.3 | -51.5 | -176.7 | 0 | 0 | 0 | 111.8 | F918 C919 L927 A1008 Y1011 H1041 V1045 | F918-L923 HydrophobicContact CD1-CD1 4.32Å; F918-L923 HydrophobicContact CD1-CG 4.29Å; F918-L923 HydrophobicContact CE1-CD1 3.98Å; F918-L923 HydrophobicContact CE1-CD2 3.92Å; F918-L923 HydrophobicContact CE1-CG 3.98Å; F918-L923 HydrophobicContact CZ-CD2 3.94Å; F918-L923 HydrophobicContact CZ-CG 4.43Å; F918-L923 PolarHBondContact O-N 2.86Å; C919-L923 WeakPolarHBondContact O-CB 3.11Å; C919-L923 PolarHBondContact O-N 3.48Å; L923-L927 VanDerWaalsContact O-CB 3.27Å; L923-L927 WeakPolarHBondContact O-CB 3.09Å; L923-L927 WeakPolarHBondContact O-CD1 3.44Å; L923-L927 WeakPolarHBondContact O-CG 3.3Å; L923-L927 PolarHBondContact O-N 3.24Å; L923-A1008 HydrophobicContact CD1-CB 4.29Å; L923-Y1011 HydrophobicContact CD1-CD2 3.97Å; L923-H1041 HydrophobicContact CD2-CB 4.45Å; L923-H1041 WeakPolarHBondContact CD2-CD2 3.39Å; L923-V1045 HydrophobicContact CD2-CG2 4.23Å |
| 924 | V | 91.1 | Very high | 89 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -72.3 | -50.5 | -164.7 | 172.7 | 0 | 0 | 0 | 0 | 112 | Y889 M890 Y893 C919 L927 A928 Y1011 | Y889-V924 HydrophobicContact CE1-CG1 3.99Å; M890-V924 HydrophobicContact CE-CG1 4.48Å; M890-V924 HydrophobicContact SD-CG1 4.24Å; Y893-V924 HydrophobicContact CD1-CG1 3.81Å; Y893-V924 HydrophobicContact CD2-CG1 4.27Å; Y893-V924 HydrophobicContact CD2-CG2 4.03Å; Y893-V924 HydrophobicContact CE1-CG1 4.09Å; Y893-V924 HydrophobicContact CG-CG1 3.92Å; Y893-V924 HydrophobicContact CG-CG2 4.04Å; C919-V924 WeakPolarHBondContact O-CB 3.26Å; C919-V924 VanDerWaalsContact O-CG2 3.3Å; C919-V924 WeakPolarHBondContact O-CG2 3.42Å; C919-V924 PolarHBondContact O-N 2.92Å; V924-L927 PolarHBondContact O-N 3.02Å; V924-A928 VanDerWaalsContact O-CB 3.29Å; V924-A928 WeakPolarHBondContact O-CB 3.34Å; V924-A928 PolarHBondContact O-N 3.09Å; V924-Y1011 HydrophobicContact CG2-CD1 4.07Å; V924-Y1011 HydrophobicContact CG2-CG 4.28Å |
| 925 | T | 86.9 | Confident | 89.1 | Confident | 42 Ų | 42 | 29.1 Ų | 29.1 | 26% | 0.258 | 15% | 0.149 | S | C | . | . | I | π-helix | trans | -64.3 | -45.7 | -176.1 | -60.6 | 0 | 0 | 0 | 0 | 112 | D920 L921 A928 I929 | D920-T925 WeakPolarHBondContact O-CB 3.47Å; D920-T925 PolarHBondContact O-N 3.36Å; D920-T925 PolarHBondContact O-OG1 3.09Å; L921-T925 HydrophobicContact CD1-CG2 4.41Å; L921-T925 WeakPolarHBondContact O-CB 3.36Å; T925-A928 PolarHBondContact O-N 3.31Å; T925-I929 HydrophobicContact CG2-CD1 3.89Å; T925-I929 WeakPolarHBondContact O-CG1 3.21Å; T925-I929 PolarHBondContact O-N 3.4Å |
| 926 | M | 90.3 | Very high | 89.1 | Confident | 90 Ų | 90 | 29.5 Ų | 29.5 | 44% | 0.443 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.3 | -69.3 | -70 | 163.3 | 0 | 0 | 111.9 | F922 A928 I929 V930 | F922-M926 VanDerWaalsContact O-CB 3.27Å; F922-M926 WeakPolarHBondContact O-CB 3.28Å; F922-M926 WeakPolarHBondContact O-CG 3.45Å; M926-A928 PolarHBondContact O-N 3.45Å; M926-I929 PolarHBondContact O-N 2.88Å; M926-V930 VanDerWaalsContact O-CG2 3.31Å; M926-V930 WeakPolarHBondContact O-CG2 3.41Å; M926-V930 PolarHBondContact O-N 2.85Å; M926-V930 VanDerWaalsContact O-N 3.1Å |
| 927 | L | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.7 | -73.4 | 171.4 | 0 | 0 | 0 | 111.6 | Y889 L923 V924 I929 V930 M931 I1012 A1015 F1034 V1037 L1038 | Y889-L927 HydrophobicContact CE1-CB 4.46Å; L923-L927 VanDerWaalsContact O-CB 3.27Å; L923-L927 WeakPolarHBondContact O-CB 3.09Å; L923-L927 WeakPolarHBondContact O-CD1 3.44Å; L923-L927 WeakPolarHBondContact O-CG 3.3Å; L923-L927 PolarHBondContact O-N 3.24Å; V924-L927 PolarHBondContact O-N 3.02Å; L927-I929 PolarHBondContact O-N 3.44Å; L927-V930 PolarHBondContact O-N 2.87Å; L927-M931 WeakPolarHBondContact O-CB 3.32Å; L927-M931 PolarHBondContact O-N 3.43Å; L927-I1012 HydrophobicContact CD1-CG1 4.45Å; L927-A1015 HydrophobicContact CB-CB 4.45Å; L927-A1015 HydrophobicContact CD1-CB 4.06Å; L927-F1034 HydrophobicContact CD2-CD2 4.49Å; L927-F1034 HydrophobicContact CD2-CE2 3.91Å; L927-V1037 HydrophobicContact CD2-CG1 4.11Å; L927-L1038 HydrophobicContact CD2-CD1 4.19Å |
| 928 | A | 88.9 | Confident | 89.1 | Confident | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L886 Y889 M890 V924 T925 M926 G932 | L886-A928 HydrophobicContact CD2-CB 4.11Å; L886-A928 WeakPolarHBondContact CD2-O 3.38Å; Y889-A928 HydrophobicContact CD1-CB 4.39Å; Y889-A928 HydrophobicContact CE1-CB 4.22Å; M890-A928 HydrophobicContact CE-CB 3.43Å; M890-A928 VanDerWaalsContact CE-CB 3.43Å; V924-A928 VanDerWaalsContact O-CB 3.29Å; V924-A928 WeakPolarHBondContact O-CB 3.34Å; V924-A928 PolarHBondContact O-N 3.09Å; T925-A928 PolarHBondContact O-N 3.31Å; M926-A928 PolarHBondContact O-N 3.45Å; A928-G932 PolarHBondContact O-N 3.48Å |
| 929 | I | 87.9 | Confident | 88.9 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 36% | 0.359 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.4 | -49.5 | 179.2 | -68.2 | 169.5 | 0 | 0 | 0 | 110.4 | Y435 T925 M926 L927 G932 | Y435-I929 WeakPolarHBondContact CE2-O 3.44Å; Y435-I929 VanDerWaalsContact OH-CG2 3.3Å; Y435-I929 WeakPolarHBondContact OH-CG2 3.33Å; T925-I929 HydrophobicContact CG2-CD1 3.89Å; T925-I929 WeakPolarHBondContact O-CG1 3.21Å; T925-I929 PolarHBondContact O-N 3.4Å; M926-I929 PolarHBondContact O-N 2.88Å; L927-I929 PolarHBondContact O-N 3.44Å; I929-G932 PolarHBondContact O-N 2.67Å |
| 930 | V | 91.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.5 | -29.3 | -173.4 | -172.9 | 0 | 0 | 0 | 0 | 112 | M926 L927 G932 R933 N1031 I1033 F1034 V1037 | M926-V930 VanDerWaalsContact O-CG2 3.31Å; M926-V930 WeakPolarHBondContact O-CG2 3.41Å; M926-V930 PolarHBondContact O-N 2.85Å; M926-V930 VanDerWaalsContact O-N 3.1Å; L927-V930 PolarHBondContact O-N 2.87Å; V930-G932 PolarHBondContact O-N 3.07Å; V930-R933 WeakPolarHBondContact O-CB 3.41Å; V930-R933 PolarHBondContact O-N 3.46Å; V930-R933 VanDerWaalsContact O-N 3.12Å; V930-N1031 PolarHBondContact O-ND2 3.35Å; V930-I1033 HydrophobicContact CG1-CB 3.91Å; V930-I1033 HydrophobicContact CG1-CG2 3.55Å; V930-I1033 HydrophobicContact CG2-CG2 4.32Å; V930-F1034 HydrophobicContact CB-CD2 4.32Å; V930-F1034 HydrophobicContact CG1-CB 3.75Å; V930-F1034 HydrophobicContact CG1-CD2 4.28Å; V930-F1034 VanDerWaalsContact CG1-N 3.26Å; V930-V1037 HydrophobicContact CG2-CG2 4.41Å |
| 931 | M | 89.1 | Confident | 88.7 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.1 | -32.1 | 170.8 | -176.9 | 171.7 | 68 | 0 | 0 | 112 | L886 Y889 L927 R933 T1019 F1034 | L886-M931 HydrophobicContact CB-CE 4.19Å; L886-M931 HydrophobicContact CD2-CE 3.17Å; L886-M931 HydrophobicContact CG-CE 3.63Å; Y889-M931 HydrophobicContact CD1-CE 4.01Å; Y889-M931 HydrophobicContact CG-CE 4.11Å; L927-M931 WeakPolarHBondContact O-CB 3.32Å; L927-M931 PolarHBondContact O-N 3.43Å; M931-R933 VanDerWaalsContact C-N 3.25Å; M931-R933 PolarHBondContact O-N 2.93Å; M931-T1019 HydrophobicContact CG-CG2 4.44Å; M931-T1019 PolarHBondContact SD-OG1 2.91Å; M931-F1034 HydrophobicContact CB-CD2 4.17Å; M931-F1034 HydrophobicContact CB-CE2 3.82Å; M931-F1034 HydrophobicContact CB-CZ 4.5Å; M931-F1034 HydrophobicContact CG-CE2 4.42Å |
| 932 | G | 84.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y435 A928 I929 V930 G934 | Y435-G932 VanDerWaalsContact CD2-C 3.48Å; Y435-G932 WeakPolarHBondContact CD2-O 3.38Å; A928-G932 PolarHBondContact O-N 3.48Å; I929-G932 PolarHBondContact O-N 2.67Å; V930-G932 PolarHBondContact O-N 3.07Å; G932-G934 VanDerWaalsContact C-N 3.31Å; G932-G934 PolarHBondContact O-N 3.38Å |
| 933 | R | 89.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 41.8 Ų | 41.8 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.4 | -175.4 | -69.5 | -175.5 | 69.7 | 89.7 | -7.2 | 115.1 | Y435 V930 M931 G935 | Y435-R933 HydrophobicContact CD1-CG 4.33Å; Y435-R933 HydrophobicContact CD2-CG 4.21Å; Y435-R933 HydrophobicContact CE1-CG 4.01Å; Y435-R933 HydrophobicContact CE2-CG 3.82Å; Y435-R933 HydrophobicContact CG-CG 4.45Å; V930-R933 WeakPolarHBondContact O-CB 3.41Å; V930-R933 PolarHBondContact O-N 3.46Å; V930-R933 VanDerWaalsContact O-N 3.12Å; M931-R933 VanDerWaalsContact C-N 3.25Å; M931-R933 PolarHBondContact O-N 2.93Å; R933-G935 PolarHBondContact O-N 3.38Å |
| 934 | G | 86.8 | Confident | 88.1 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -55.3 | 131.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C878 G932 N1031 | C878-G934 PolarHBondContact SG-O 3.15Å; G932-G934 VanDerWaalsContact C-N 3.31Å; G932-G934 PolarHBondContact O-N 3.38Å; G934-N1031 PolarHBondContact N-ND2 2.73Å |
| 935 | G | 88.7 | Confident | 87.8 | Confident | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 162.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C878 R933 K1025 K1026 | C878-G935 VanDerWaalsContact SG-C 3.57Å; R933-G935 PolarHBondContact O-N 3.38Å; G935-K1025 WeakPolarHBondContact O-CA 3.34Å; G935-K1026 PolarHBondContact O-N 2.94Å |
| 936 | P | 92.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 154.7 | 177.3 | 33.6 | -39.3 | 0 | 0 | 0 | 112.3 | R874 E875 C878 K1026 | R874-P936 HydrophobicContact CB-CB 4.35Å; E875-P936 HydrophobicContact CG-CG 4.22Å; E875-P936 WeakPolarHBondContact OE1-CD 3.3Å; E875-P936 VanDerWaalsContact OE1-CG 3.31Å; E875-P936 WeakPolarHBondContact OE1-CG 3.39Å; C878-P936 HydrophobicContact CB-CB 3.7Å; P936-K1026 VanDerWaalsContact O-CE 3.32Å; P936-K1026 WeakPolarHBondContact O-CE 3.39Å; P936-K1026 VanDerWaalsContact O-CG 3.31Å; P936-K1026 WeakPolarHBondContact O-CG 3.41Å |
| 937 | S | 89.4 | Confident | 86.6 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 154.9 | 168.8 | -172.9 | 0 | 0 | 0 | 0 | 112 | R874 E939 P1023 H1024 | R874-S937 PolarHBondContact NE-O 3.09Å; R874-S937 PolarHBondContact NH2-O 3.07Å; S937-E939 PolarHBondContact OG-N 3.29Å; S937-P1023 WeakPolarHBondContact CB-O 3.31Å; S937-H1024 PolarHBondContact N-O 3.36Å |
| 938 | E | 85.6 | Confident | 86.1 | Confident | 105 Ų | 105 | 45.6 Ų | 45.6 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -72.3 | -29.1 | 174.5 | -66.2 | -56.2 | 159.2 | 0 | 0 | 113.4 | R874 K1026 | R874-E938 VanDerWaalsContact CZ-C 3.5Å; R874-E938 IonicContact CZ-OE2 4Å; R874-E938 PolarHBondContact NE-O 3Å; R874-E938 PolarHBondContact NH1-O 3.03Å; R874-E938 IonicContact NH1-OE2 2.74Å; R874-E938 VanDerWaalsContact NH2-CA 3.25Å; R874-E938 PolarHBondContact NH2-O 3.26Å; R874-E938 IonicContact NH2-OE2 3.31Å; R874-E938 PolarHBondContact NH2-OE2 2.99Å; E938-K1026 WeakPolarHBondContact OE1-CE 3.01Å; E938-K1026 IonicContact OE1-NZ 3.81Å; E938-K1026 PolarHBondContact OE1-NZ 3Å |
| 939 | E | 86.8 | Confident | 85.4 | Confident | 159 Ų | 159 | 45.6 Ų | 45.6 | 74% | 0.743 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -111.7 | 149 | -177.6 | -65.5 | 178.4 | -178.3 | 0 | 0 | 112.4 | S937 H941 | S937-E939 PolarHBondContact OG-N 3.29Å; E939-H941 PolarHBondContact O-N 3.43Å |
| 940 | L | 87.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | trans | -89.4 | 92.8 | 178.6 | -170.8 | 69.7 | 0 | 0 | 0 | 110.6 | T691 L692 A695 I697 I873 R874 | T691-L940 HydrophobicContact CG2-CB 4.23Å; T691-L940 HydrophobicContact CG2-CD2 4.39Å; L692-L940 HydrophobicContact CD2-CD2 4.09Å; A695-L940 HydrophobicContact CB-CB 4.26Å; A695-L940 HydrophobicContact CB-CD2 3.44Å; A695-L940 VanDerWaalsContact CB-CD2 3.44Å; A695-L940 HydrophobicContact CB-CG 3.57Å; I697-L940 HydrophobicContact CD1-CD2 3.84Å; I873-L940 HydrophobicContact CB-CD1 4.19Å; I873-L940 HydrophobicContact CG2-CD1 3.71Å; R874-L940 HydrophobicContact CG-CB 4.28Å; R874-L940 HydrophobicContact CG-CD1 3.72Å | ||
| 941 | H | 86.8 | Confident | 84.3 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | trans | -66.6 | 143.4 | -175.7 | -170.7 | -85.7 | 0 | 0 | 0 | 114.4 | R877 E939 C943 P1023 | R877-H941 PolarHBondContact NH1-O 3.41Å; E939-H941 PolarHBondContact O-N 3.43Å; H941-C943 WeakPolarHBondContact ND1-CB 3.36Å; H941-C943 PolarHBondContact ND1-N 3.49Å; H941-C943 PolarHBondContact O-N 3.01Å; H941-P1023 HydrophobicContact CB-CB 3.89Å; H941-P1023 HydrophobicContact CB-CG 4.36Å | ||
| 942 | P | 85.2 | Confident | 83.8 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -66.1 | -34.4 | -176.2 | -19.3 | 29.4 | 0 | 0 | 0 | 115.1 | L694 | L694-P942 WeakPolarHBondContact O-CG 3.4Š|
| 943 | C | 83.2 | Confident | 83.5 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 53% | 0.534 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -65.2 | 136.4 | 174.7 | -67 | 0 | 0 | 0 | 0 | 111.2 | H941 H1024 | H941-C943 WeakPolarHBondContact ND1-CB 3.36Å; H941-C943 PolarHBondContact ND1-N 3.49Å; H941-C943 PolarHBondContact O-N 3.01Å; C943-H1024 PolarHBondContact O-CE1 3.05Å |
| 944 | R | 86.3 | Confident | 83 | Confident | 86 Ų | 86 | 46 Ų | 46 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 146.5 | 173.1 | -71.9 | 167.5 | -74.9 | -173.2 | -14.5 | 109.7 | S460 | S460-R944 VanDerWaalsContact CB-NH1 3.31Š|
| 945 | P | 85.1 | Confident | 82.8 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 166.9 | 174.2 | 21.7 | -33 | 0 | 0 | 0 | 111.6 | K458 R877 L880 V881 | K458-P945 HydrophobicContact CD-CG 4.34Å; K458-P945 WeakPolarHBondContact CE-O 3.38Å; K458-P945 PolarHBondContact NZ-O 3.21Å; R877-P945 HydrophobicContact CB-CG 4.37Å; R877-P945 HydrophobicContact CG-CG 4.17Å; L880-P945 HydrophobicContact CD2-CB 4.24Å; L880-P945 HydrophobicContact CD2-CG 3.83Å; V881-P945 HydrophobicContact CG2-CB 3.77Å |
| 946 | P | 78.4 | Confident | 82.6 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 153.6 | 169.7 | 28 | -33 | 0 | 0 | 0 | 111.8 | K458 F884 | K458-P946 VanDerWaalsContact CE-C 3.42Å; K458-P946 WeakPolarHBondContact CE-O 2.95Å; K458-P946 PolarHBondContact NZ-O 3.33Å; F884-P946 HydrophobicContact CD1-CG 4.38Å; F884-P946 HydrophobicContact CE1-CB 4.41Å; F884-P946 HydrophobicContact CE1-CG 4.23Å; F884-P946 WeakPolarHBondContact CE2-O 3.35Å |
| 947 | A | 72.7 | Confident | 82.4 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | trans | -116 | -11 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F373 K458 | F373-A947 PolarHBondContact N-O 3.33Å; K458-A947 HydrophobicContact CD-CB 4.39Å; K458-A947 VanDerWaalsContact CE-CB 3.47Å; K458-A947 HydrophobicContact CG-CB 4.43Å | ||
| 948 | S | 81.3 | Confident | 82.3 | Confident | 34 Ų | 34 | 48 Ų | 48 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -121.1 | 127.1 | -175.8 | 176.9 | 0 | 0 | 0 | 0 | 108.2 | D376 L950 A951 | D376-S948 VanDerWaalsContact OD2-CA 3.24Å; D376-S948 WeakPolarHBondContact OD2-CA 3.48Å; D376-S948 WeakPolarHBondContact OD2-CB 3.33Å; D376-S948 PolarHBondContact OD2-OG 3.44Å; S948-L950 VanDerWaalsContact C-N 3.3Å; S948-A951 WeakPolarHBondContact O-CB 3.13Å | ||
| 949 | L | 75.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.1 | 177.1 | -73.4 | 165.9 | 0 | 0 | 0 | 111.6 | F373 D376 A377 F884 F887 A951 V954 | F373-L949 HydrophobicContact CD2-CD1 3.75Å; F373-L949 HydrophobicContact CD2-CD2 4.17Å; F373-L949 HydrophobicContact CD2-CG 3.79Å; F373-L949 HydrophobicContact CE2-CD1 3.7Å; F373-L949 HydrophobicContact CE2-CD2 3.86Å; F373-L949 HydrophobicContact CE2-CG 3.91Å; F373-L949 HydrophobicContact CG-CD1 4.47Å; F373-L949 HydrophobicContact CZ-CD1 4.36Å; D376-L949 HydrophobicContact CB-CB 4.02Å; A377-L949 HydrophobicContact CB-CD1 3.85Å; F884-L949 HydrophobicContact CD1-CD2 3.39Å; F884-L949 HydrophobicContact CD1-CG 4.32Å; F884-L949 HydrophobicContact CE1-CB 4.48Å; F884-L949 HydrophobicContact CE1-CD2 3.37Å; F884-L949 HydrophobicContact CE1-CG 3.82Å; F884-L949 HydrophobicContact CG-CD2 4.13Å; F884-L949 HydrophobicContact CZ-CD2 4.11Å; F884-L949 HydrophobicContact CZ-CG 4.17Å; F887-L949 HydrophobicContact CB-CD2 4.43Å; F887-L949 HydrophobicContact CD1-CD1 4Å; F887-L949 HydrophobicContact CD1-CD2 3.47Å; F887-L949 VanDerWaalsContact CD1-CD2 3.47Å; F887-L949 HydrophobicContact CD1-CG 4.31Å; F887-L949 HydrophobicContact CD2-CD1 4.09Å; F887-L949 HydrophobicContact CE1-CB 4.42Å; F887-L949 HydrophobicContact CE1-CD1 3.85Å; F887-L949 HydrophobicContact CE1-CD2 3.82Å; F887-L949 HydrophobicContact CE1-CG 4.26Å; F887-L949 HydrophobicContact CE2-CD1 3.95Å; F887-L949 HydrophobicContact CG-CD1 4.08Å; F887-L949 HydrophobicContact CG-CD2 3.99Å; F887-L949 HydrophobicContact CZ-CD1 3.79Å; L949-A951 PolarHBondContact O-N 3.42Å; L949-V954 WeakPolarHBondContact O-CG1 3.35Å |
| 950 | L | 77.4 | Confident | 82.7 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 14.3 | 178.4 | -58.8 | 176.1 | 0 | 0 | 0 | 113.1 | D376 K379 F380 I383 S948 | D376-L950 HydrophobicContact CB-CD1 4.42Å; D376-L950 HydrophobicContact CB-CG 4.23Å; K379-L950 HydrophobicContact CB-CD1 3.9Å; K379-L950 HydrophobicContact CD-CD1 3.85Å; F380-L950 HydrophobicContact CB-CD2 4.5Å; F380-L950 HydrophobicContact CD2-CD2 4.49Å; I383-L950 HydrophobicContact CD1-CD2 3.84Å; S948-L950 VanDerWaalsContact C-N 3.3Å |
| 951 | A | 77.7 | Confident | 82.9 | Confident | 32 Ų | 32 | 43.3 Ų | 43.3 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -65.2 | 137.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S948 L949 P953 V954 F955 | S948-A951 WeakPolarHBondContact O-CB 3.13Å; L949-A951 PolarHBondContact O-N 3.42Å; A951-P953 VanDerWaalsContact C-CD 3.45Å; A951-P953 VanDerWaalsContact C-N 3.33Å; A951-P953 VanDerWaalsContact O-N 3.14Å; A951-V954 HydrophobicContact CB-CG2 4.44Å; A951-V954 PolarHBondContact O-N 3.16Å; A951-F955 PolarHBondContact O-N 2.92Å |
| 952 | L | 79.6 | Confident | 83.1 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -49.8 | -42 | -174.6 | -174 | 67.3 | 0 | 0 | 0 | 114.5 | V954 G956 L1097 R1101 | L952-V954 PolarHBondContact O-N 2.95Å; L952-G956 WeakPolarHBondContact O-CA 3.37Å; L952-G956 PolarHBondContact O-N 2.86Å; L952-L1097 HydrophobicContact CG-CD2 4.14Å; L952-R1101 HydrophobicContact CD2-CG 4.1Å |
| 953 | P | 77.6 | Confident | 83.5 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -36.3 | 176.5 | -21.7 | 34 | 0 | 0 | 0 | 113.9 | A951 S957 R1101 | A951-P953 VanDerWaalsContact C-CD 3.45Å; A951-P953 VanDerWaalsContact C-N 3.33Å; A951-P953 VanDerWaalsContact O-N 3.14Å; P953-S957 WeakPolarHBondContact O-CB 3.26Å; P953-S957 PolarHBondContact O-N 3.48Å; P953-R1101 VanDerWaalsContact CD-NH2 3.34Å |
| 954 | V | 79.6 | Confident | 84 | Confident | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.109 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.8 | -49 | -177 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | R888 L949 A951 L952 S957 L958 | R888-V954 HydrophobicContact CG-CG1 4.29Å; L949-V954 WeakPolarHBondContact O-CG1 3.35Å; A951-V954 HydrophobicContact CB-CG2 4.44Å; A951-V954 PolarHBondContact O-N 3.16Å; L952-V954 PolarHBondContact O-N 2.95Å; V954-S957 PolarHBondContact O-N 2.7Å; V954-L958 PolarHBondContact O-N 2.93Å |
| 955 | F | 83.1 | Confident | 84.3 | Confident | 80 Ų | 80 | 35 Ų | 35 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.5 | -175.7 | -96.8 | 0 | 0 | 0 | 112.1 | I383 A951 L958 F959 | I383-F955 HydrophobicContact CD1-CE2 4.32Å; A951-F955 PolarHBondContact O-N 2.92Å; F955-L958 WeakPolarHBondContact O-CB 3.43Å; F955-L958 PolarHBondContact O-N 3.38Å; F955-F959 WeakPolarHBondContact O-CB 3.37Å; F955-F959 PolarHBondContact O-N 3.01Å |
| 956 | G | 84 | Confident | 84.7 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L952 F959 I960 | L952-G956 WeakPolarHBondContact O-CA 3.37Å; L952-G956 PolarHBondContact O-N 2.86Å; G956-F959 PolarHBondContact O-N 3.17Å; G956-I960 VanDerWaalsContact O-CG1 3.26Å; G956-I960 WeakPolarHBondContact O-CG1 3.45Å; G956-I960 PolarHBondContact O-N 3.36Å |
| 957 | S | 86.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | R888 P953 V954 F959 I960 H961 E1089 | R888-S957 PolarHBondContact NH2-OG 3.37Å; P953-S957 WeakPolarHBondContact O-CB 3.26Å; P953-S957 PolarHBondContact O-N 3.48Å; V954-S957 PolarHBondContact O-N 2.7Å; S957-F959 VanDerWaalsContact C-N 3.32Å; S957-F959 PolarHBondContact O-N 3.15Å; S957-I960 PolarHBondContact O-N 2.98Å; S957-H961 WeakPolarHBondContact O-CB 3.37Å; S957-H961 PolarHBondContact O-CD2 3.43Å; S957-H961 PolarHBondContact O-N 2.85Å; S957-H961 PolarHBondContact OG-CD2 2.8Å; S957-E1089 PolarHBondContact OG-OE2 3.41Å |
| 958 | L | 88.1 | Confident | 86.5 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.5 | -49 | 177.1 | -166.6 | 91.8 | 0 | 0 | 0 | 111.2 | F380 A891 L892 L895 V954 F955 H961 T962 | F380-L958 HydrophobicContact CE2-CD2 3.51Å; F380-L958 HydrophobicContact CZ-CD2 3.55Å; A891-L958 HydrophobicContact CB-CD1 3.92Å; A891-L958 HydrophobicContact CB-CD2 4.46Å; L892-L958 HydrophobicContact CD1-CD1 4.27Å; L892-L958 HydrophobicContact CD2-CD1 3.86Å; L892-L958 HydrophobicContact CD2-CG 4.17Å; L892-L958 HydrophobicContact CG-CD1 3.64Å; L892-L958 HydrophobicContact CG-CG 4.49Å; L895-L958 HydrophobicContact CD1-CD2 4.37Å; V954-L958 PolarHBondContact O-N 2.93Å; F955-L958 WeakPolarHBondContact O-CB 3.43Å; F955-L958 PolarHBondContact O-N 3.38Å; L958-H961 PolarHBondContact O-N 3.3Å; L958-T962 PolarHBondContact O-N 3.05Å; L958-T962 PolarHBondContact O-OG1 2.85Å |
| 959 | F | 88.9 | Confident | 87.1 | Confident | 125 Ų | 125 | 36.8 Ų | 36.8 | 55% | 0.548 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -48.2 | -179.7 | -179.5 | -99 | 0 | 0 | 0 | 112.6 | F955 G956 S957 H961 T962 C963 | F955-F959 WeakPolarHBondContact O-CB 3.37Å; F955-F959 PolarHBondContact O-N 3.01Å; G956-F959 PolarHBondContact O-N 3.17Å; S957-F959 VanDerWaalsContact C-N 3.32Å; S957-F959 PolarHBondContact O-N 3.15Å; F959-H961 PolarHBondContact O-N 3.47Å; F959-T962 PolarHBondContact O-N 3.35Å; F959-C963 PolarHBondContact O-N 3.36Å; F959-C963 PolarHBondContact O-SG 2.86Å; F959-C963 VanDerWaalsContact O-SG 3.35Å |
| 960 | I | 91.1 | Very high | 88 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 31% | 0.313 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63 | -43.8 | 179.8 | -64.1 | 165.3 | 0 | 0 | 0 | 110.4 | G956 S957 T962 C963 T964 V1088 I1092 L1097 | G956-I960 VanDerWaalsContact O-CG1 3.26Å; G956-I960 WeakPolarHBondContact O-CG1 3.45Å; G956-I960 PolarHBondContact O-N 3.36Å; S957-I960 PolarHBondContact O-N 2.98Å; I960-T962 PolarHBondContact O-N 3.48Å; I960-C963 WeakPolarHBondContact O-CB 3.23Å; I960-C963 PolarHBondContact O-N 2.86Å; I960-T964 PolarHBondContact O-N 3.26Å; I960-T964 PolarHBondContact O-OG1 3.2Å; I960-T964 VanDerWaalsContact O-OG1 3.12Å; I960-V1088 HydrophobicContact CB-CG1 4.41Å; I960-V1088 HydrophobicContact CG2-CG1 3.57Å; I960-V1088 HydrophobicContact CG2-CG2 4.46Å; I960-I1092 HydrophobicContact CD1-CD1 4.4Å; I960-L1097 HydrophobicContact CD1-CD1 4.26Å |
| 961 | H | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.1 | -75.1 | -53.2 | 0 | 0 | 0 | 111.8 | L892 S957 L958 F959 C963 T964 I965 M1014 C1085 E1089 | L892-H961 HydrophobicContact CD1-CB 4.49Å; L892-H961 HydrophobicContact CD2-CB 3.9Å; S957-H961 WeakPolarHBondContact O-CB 3.37Å; S957-H961 PolarHBondContact O-CD2 3.43Å; S957-H961 PolarHBondContact O-N 2.85Å; S957-H961 PolarHBondContact OG-CD2 2.8Å; L958-H961 PolarHBondContact O-N 3.3Å; F959-H961 PolarHBondContact O-N 3.47Å; H961-C963 VanDerWaalsContact C-N 3.33Å; H961-C963 PolarHBondContact O-N 2.97Å; H961-T964 PolarHBondContact O-N 2.87Å; H961-I965 WeakPolarHBondContact O-CB 3.48Å; H961-I965 WeakPolarHBondContact O-CD1 3.24Å; H961-I965 WeakPolarHBondContact O-CG1 3.28Å; H961-I965 PolarHBondContact O-N 3.2Å; H961-M1014 HydrophobicContact CB-SD 4.46Å; H961-C1085 PolarHBondContact CE1-O 2.94Å; H961-E1089 IonicContact CD2-OE2 2.83Å; H961-E1089 IonicContact CE1-OE2 3.21Å; H961-E1089 IonicContact NE2-OE2 2.78Å; H961-E1089 PolarHBondContact NE2-OE2 3.28Å |
| 962 | T | 91.9 | Very high | 89.6 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 14% | 0.135 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | L895 L958 F959 I960 T964 I965 V966 | L895-T962 HydrophobicContact CB-CG2 4.24Å; L895-T962 HydrophobicContact CD1-CG2 4.13Å; L895-T962 WeakPolarHBondContact CD1-OG1 3.42Å; L958-T962 PolarHBondContact O-N 3.05Å; L958-T962 PolarHBondContact O-OG1 2.85Å; F959-T962 PolarHBondContact O-N 3.35Å; I960-T962 PolarHBondContact O-N 3.48Å; T962-T964 PolarHBondContact O-N 3.37Å; T962-I965 PolarHBondContact O-N 3.47Å; T962-V966 HydrophobicContact CG2-CG2 4.46Å; T962-V966 VanDerWaalsContact O-CG2 3.28Å; T962-V966 WeakPolarHBondContact O-CG2 3.21Å; T962-V966 PolarHBondContact O-N 2.99Å |
| 963 | C | 93.3 | Very high | 90.2 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 34% | 0.338 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 175.8 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | F959 I960 H961 I965 V966 L967 | F959-C963 PolarHBondContact O-N 3.36Å; F959-C963 PolarHBondContact O-SG 2.86Å; F959-C963 VanDerWaalsContact O-SG 3.35Å; I960-C963 WeakPolarHBondContact O-CB 3.23Å; I960-C963 PolarHBondContact O-N 2.86Å; H961-C963 VanDerWaalsContact C-N 3.33Å; H961-C963 PolarHBondContact O-N 2.97Å; C963-I965 VanDerWaalsContact C-N 3.31Å; C963-I965 PolarHBondContact O-N 3.49Å; C963-V966 PolarHBondContact O-N 3.43Å; C963-L967 WeakPolarHBondContact O-CB 3.41Å; C963-L967 VanDerWaalsContact O-CG 3.27Å; C963-L967 WeakPolarHBondContact O-CG 3.25Å; C963-L967 PolarHBondContact O-N 2.91Å |
| 964 | T | 92.7 | Very high | 91 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 178 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | I960 H961 T962 G968 V1084 | I960-T964 PolarHBondContact O-N 3.26Å; I960-T964 PolarHBondContact O-OG1 3.2Å; I960-T964 VanDerWaalsContact O-OG1 3.12Å; H961-T964 PolarHBondContact O-N 2.87Å; T962-T964 PolarHBondContact O-N 3.37Å; T964-G968 PolarHBondContact O-N 2.97Å; T964-V1084 HydrophobicContact CG2-CB 4.47Å; T964-V1084 HydrophobicContact CG2-CG1 3.77Å |
| 965 | I | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -50.1 | 175.8 | -74.7 | 160.2 | 0 | 0 | 0 | 110.7 | L892 I896 H961 T962 C963 G968 Q969 Q1010 M1014 | L892-I965 HydrophobicContact CD2-CD1 4.18Å; I896-I965 HydrophobicContact CB-CG2 4.29Å; I896-I965 HydrophobicContact CD1-CD1 4.02Å; I896-I965 HydrophobicContact CG1-CD1 3.74Å; I896-I965 HydrophobicContact CG1-CG1 4.25Å; I896-I965 HydrophobicContact CG1-CG2 3.55Å; H961-I965 WeakPolarHBondContact O-CB 3.48Å; H961-I965 WeakPolarHBondContact O-CD1 3.24Å; H961-I965 WeakPolarHBondContact O-CG1 3.28Å; H961-I965 PolarHBondContact O-N 3.2Å; T962-I965 PolarHBondContact O-N 3.47Å; C963-I965 VanDerWaalsContact C-N 3.31Å; C963-I965 PolarHBondContact O-N 3.49Å; I965-G968 PolarHBondContact O-N 2.89Å; I965-Q969 PolarHBondContact O-N 3.09Å; I965-Q1010 PolarHBondContact O-NE2 2.96Å; I965-M1014 HydrophobicContact CD1-CE 4.12Å; I965-M1014 HydrophobicContact CD1-CG 3.98Å; I965-M1014 HydrophobicContact CD1-SD 3.94Å; I965-M1014 HydrophobicContact CG1-CE 4.21Å |
| 966 | V | 93.4 | Very high | 92 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | C899 T962 C963 G968 Q969 L970 | C899-V966 HydrophobicContact CB-CG2 3.99Å; C899-V966 WeakPolarHBondContact SG-CG2 3.2Å; T962-V966 HydrophobicContact CG2-CG2 4.46Å; T962-V966 VanDerWaalsContact O-CG2 3.28Å; T962-V966 WeakPolarHBondContact O-CG2 3.21Å; T962-V966 PolarHBondContact O-N 2.99Å; C963-V966 PolarHBondContact O-N 3.43Å; V966-G968 VanDerWaalsContact C-N 3.28Å; V966-G968 PolarHBondContact O-N 3.12Å; V966-Q969 PolarHBondContact O-N 2.96Å; V966-L970 HydrophobicContact CG1-CD1 3.84Å; V966-L970 HydrophobicContact CG1-CG 4.33Å; V966-L970 WeakPolarHBondContact O-CB 3.17Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.4Å |
| 967 | L | 94.6 | Very high | 92.2 | Very high | 117 Ų | 117 | 37.5 Ų | 37.5 | 61% | 0.613 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.4 | -39.7 | 177.3 | -71.5 | 172 | 0 | 0 | 0 | 111.6 | C963 A971 | C963-L967 WeakPolarHBondContact O-CB 3.41Å; C963-L967 VanDerWaalsContact O-CG 3.27Å; C963-L967 WeakPolarHBondContact O-CG 3.25Å; C963-L967 PolarHBondContact O-N 2.91Å; L967-A971 VanDerWaalsContact O-CB 3.27Å; L967-A971 WeakPolarHBondContact O-CB 3.25Å; L967-A971 PolarHBondContact O-N 3.01Å |
| 968 | G | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -52.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T964 I965 V966 L970 A971 A972 L1006 M1077 | T964-G968 PolarHBondContact O-N 2.97Å; I965-G968 PolarHBondContact O-N 2.89Å; V966-G968 VanDerWaalsContact C-N 3.28Å; V966-G968 PolarHBondContact O-N 3.12Å; G968-L970 PolarHBondContact O-N 3.5Å; G968-A971 PolarHBondContact O-N 2.91Å; G968-A972 PolarHBondContact O-N 3.31Å; G968-L1006 WeakPolarHBondContact O-CD2 3.48Å; G968-M1077 WeakPolarHBondContact O-CE 3.44Å |
| 969 | Q | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | -179.4 | -67.4 | -179 | 5 | 0 | 0 | 112.5 | I896 S900 I903 I965 V966 A972 F973 | I896-Q969 PolarHBondContact O-NE2 3.24Å; S900-Q969 VanDerWaalsContact N-OE1 3.08Å; S900-Q969 PolarHBondContact OG-NE2 3.36Å; S900-Q969 VanDerWaalsContact OG-NE2 3.14Å; S900-Q969 PolarHBondContact OG-OE1 2.99Å; I903-Q969 HydrophobicContact CD1-CB 3.64Å; I965-Q969 PolarHBondContact O-N 3.09Å; V966-Q969 PolarHBondContact O-N 2.96Å; Q969-A972 PolarHBondContact O-N 3.38Å; Q969-F973 WeakPolarHBondContact O-CB 3.49Å; Q969-F973 PolarHBondContact O-N 3.01Å |
| 970 | L | 94.7 | Very high | 92.3 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.9 | -73.2 | 174.1 | 0 | 0 | 0 | 111.9 | I903 V966 G968 A972 F973 F974 | I903-L970 HydrophobicContact CD1-CD2 3.88Å; I903-L970 HydrophobicContact CD1-CG 4.06Å; I903-L970 HydrophobicContact CG1-CD2 3.95Å; V966-L970 HydrophobicContact CG1-CD1 3.84Å; V966-L970 HydrophobicContact CG1-CG 4.33Å; V966-L970 WeakPolarHBondContact O-CB 3.17Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.4Å; G968-L970 PolarHBondContact O-N 3.5Å; L970-A972 PolarHBondContact O-N 3.36Å; L970-F973 WeakPolarHBondContact O-CB 3.4Å; L970-F973 PolarHBondContact O-N 3.21Å; L970-F974 HydrophobicContact CB-CD2 4.31Å; L970-F974 HydrophobicContact CB-CE2 4.26Å; L970-F974 HydrophobicContact CD2-CE2 4.3Å; L970-F974 WeakPolarHBondContact O-CD2 3.48Å; L970-F974 PolarHBondContact O-N 3.1Å |
| 971 | A | 93.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L967 G968 F973 F974 I975 M1077 | L967-A971 VanDerWaalsContact O-CB 3.27Å; L967-A971 WeakPolarHBondContact O-CB 3.25Å; L967-A971 PolarHBondContact O-N 3.01Å; G968-A971 PolarHBondContact O-N 2.91Å; A971-F973 VanDerWaalsContact C-N 3.33Å; A971-F973 PolarHBondContact O-N 2.78Å; A971-F974 PolarHBondContact O-N 2.98Å; A971-I975 VanDerWaalsContact O-CB 3.26Å; A971-I975 WeakPolarHBondContact O-CB 3.4Å; A971-I975 WeakPolarHBondContact O-CD1 3.37Å; A971-I975 WeakPolarHBondContact O-CG1 3.5Å; A971-I975 PolarHBondContact O-N 3.15Å; A971-M1077 HydrophobicContact CB-CE 3.36Å |
| 972 | A | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G968 Q969 L970 T976 L1006 M1077 | G968-A972 PolarHBondContact O-N 3.31Å; Q969-A972 PolarHBondContact O-N 3.38Å; L970-A972 PolarHBondContact O-N 3.36Å; A972-T976 WeakPolarHBondContact O-CB 3.41Å; A972-T976 PolarHBondContact O-N 2.9Å; A972-T976 VanDerWaalsContact O-N 3.07Å; A972-T976 PolarHBondContact O-OG1 3.14Å; A972-L1006 HydrophobicContact CB-CB 4.31Å; A972-L1006 HydrophobicContact CB-CD2 3.77Å; A972-M1077 HydrophobicContact CB-CE 4.22Å; A972-M1077 HydrophobicContact CB-SD 4.05Å |
| 973 | F | 93.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -53.2 | 174.7 | 173.4 | -100.9 | 0 | 0 | 0 | 112.1 | I903 V907 Q969 L970 A971 I975 T976 T977 E999 V1003 | I903-F973 HydrophobicContact CG2-CB 4.32Å; I903-F973 HydrophobicContact CG2-CD2 4.36Å; I903-F973 HydrophobicContact CG2-CG 4.18Å; V907-F973 HydrophobicContact CB-CE2 4.5Å; V907-F973 HydrophobicContact CG1-CE2 4.48Å; V907-F973 HydrophobicContact CG1-CZ 4.4Å; V907-F973 HydrophobicContact CG2-CE1 4.39Å; V907-F973 HydrophobicContact CG2-CE2 3.55Å; V907-F973 HydrophobicContact CG2-CZ 3.42Å; V907-F973 VanDerWaalsContact CG2-CZ 3.42Å; Q969-F973 WeakPolarHBondContact O-CB 3.49Å; Q969-F973 PolarHBondContact O-N 3.01Å; L970-F973 WeakPolarHBondContact O-CB 3.4Å; L970-F973 PolarHBondContact O-N 3.21Å; A971-F973 VanDerWaalsContact C-N 3.33Å; A971-F973 PolarHBondContact O-N 2.78Å; F973-I975 PolarHBondContact O-N 2.94Å; F973-T976 WeakPolarHBondContact O-CB 3.29Å; F973-T976 PolarHBondContact O-N 3.45Å; F973-T977 HydrophobicContact CD2-CG2 4.35Å; F973-T977 HydrophobicContact CE1-CG2 4.18Å; F973-T977 HydrophobicContact CE2-CG2 3.79Å; F973-T977 HydrophobicContact CZ-CG2 3.69Å; F973-T977 WeakPolarHBondContact O-CG2 3.18Å; F973-T977 PolarHBondContact O-N 2.98Å; F973-T977 PolarHBondContact O-OG1 3.12Å; F973-E999 HydrophobicContact CD2-CB 4.27Å; F973-E999 HydrophobicContact CD2-CG 4.27Å; F973-E999 HydrophobicContact CE2-CB 4.14Å; F973-E999 HydrophobicContact CE2-CG 3.76Å; F973-V1003 HydrophobicContact CB-CG2 4.27Å |
| 974 | F | 93.1 | Very high | 91 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | -179.5 | -74.4 | -59.5 | 0 | 0 | 0 | 112.4 | L970 A971 T976 T977 T978 | L970-F974 HydrophobicContact CB-CD2 4.31Å; L970-F974 HydrophobicContact CB-CE2 4.26Å; L970-F974 HydrophobicContact CD2-CE2 4.3Å; L970-F974 WeakPolarHBondContact O-CD2 3.48Å; L970-F974 PolarHBondContact O-N 3.1Å; A971-F974 PolarHBondContact O-N 2.98Å; F974-T976 VanDerWaalsContact C-N 3.27Å; F974-T976 PolarHBondContact O-N 3.34Å; F974-T977 WeakPolarHBondContact CA-OG1 3.41Å; F974-T977 PolarHBondContact O-N 2.97Å; F974-T977 PolarHBondContact O-OG1 3.31Å; F974-T978 VanDerWaalsContact O-CG2 3.28Å; F974-T978 WeakPolarHBondContact O-CG2 3.3Å; F974-T978 PolarHBondContact O-N 3.49Å; F974-T978 PolarHBondContact O-OG1 3.5Å; F974-T978 VanDerWaalsContact O-OG1 3.09Å |
| 975 | I | 92.4 | Very high | 90.6 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | 176 | -69.9 | 166 | 0 | 0 | 0 | 110.1 | A971 F973 T978 Q979 F1070 L1073 M1077 | A971-I975 VanDerWaalsContact O-CB 3.26Å; A971-I975 WeakPolarHBondContact O-CB 3.4Å; A971-I975 WeakPolarHBondContact O-CD1 3.37Å; A971-I975 WeakPolarHBondContact O-CG1 3.5Å; A971-I975 PolarHBondContact O-N 3.15Å; F973-I975 PolarHBondContact O-N 2.94Å; I975-T978 PolarHBondContact O-N 2.75Å; I975-T978 PolarHBondContact O-OG1 3.48Å; I975-Q979 WeakPolarHBondContact O-CG 3.46Å; I975-Q979 PolarHBondContact O-N 2.94Å; I975-Q979 PolarHBondContact O-NE2 3.02Å; I975-F1070 HydrophobicContact CG2-CE2 4.22Å; I975-L1073 HydrophobicContact CG2-CD2 3.77Å; I975-M1077 HydrophobicContact CD1-SD 4.23Å |
| 976 | T | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 178 | -52.9 | 0 | 0 | 0 | 0 | 112 | A972 F973 F974 T978 Q979 M998 S1002 F1070 | A972-T976 WeakPolarHBondContact O-CB 3.41Å; A972-T976 PolarHBondContact O-N 2.9Å; A972-T976 VanDerWaalsContact O-N 3.07Å; A972-T976 PolarHBondContact O-OG1 3.14Å; F973-T976 WeakPolarHBondContact O-CB 3.29Å; F973-T976 PolarHBondContact O-N 3.45Å; F974-T976 VanDerWaalsContact C-N 3.27Å; F974-T976 PolarHBondContact O-N 3.34Å; T976-T978 VanDerWaalsContact C-N 3.27Å; T976-T978 PolarHBondContact O-N 3.23Å; T976-Q979 PolarHBondContact O-N 3.16Å; T976-M998 HydrophobicContact CG2-CB 4.01Å; T976-S1002 WeakPolarHBondContact OG1-CB 3.33Å; T976-S1002 PolarHBondContact OG1-OG 3.11Å; T976-F1070 HydrophobicContact CG2-CZ 4.09Å; T976-F1070 WeakPolarHBondContact OG1-CZ 3.34Å |
| 977 | T | 89.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.6 | -20.3 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | F973 F974 Y982 | F973-T977 HydrophobicContact CD2-CG2 4.35Å; F973-T977 HydrophobicContact CE1-CG2 4.18Å; F973-T977 HydrophobicContact CE2-CG2 3.79Å; F973-T977 HydrophobicContact CZ-CG2 3.69Å; F973-T977 WeakPolarHBondContact O-CG2 3.18Å; F973-T977 PolarHBondContact O-N 2.98Å; F973-T977 PolarHBondContact O-OG1 3.12Å; F974-T977 WeakPolarHBondContact CA-OG1 3.41Å; F974-T977 PolarHBondContact O-N 2.97Å; F974-T977 PolarHBondContact O-OG1 3.31Å; T977-Y982 HydrophobicContact CG2-CD2 4.5Å; T977-Y982 HydrophobicContact CG2-CE1 4.36Å; T977-Y982 HydrophobicContact CG2-CE2 3.8Å |
| 978 | T | 89.9 | Confident | 87.3 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 64% | 0.638 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.1 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | F974 I975 T976 | F974-T978 VanDerWaalsContact O-CG2 3.28Å; F974-T978 WeakPolarHBondContact O-CG2 3.3Å; F974-T978 PolarHBondContact O-N 3.49Å; F974-T978 PolarHBondContact O-OG1 3.5Å; F974-T978 VanDerWaalsContact O-OG1 3.09Å; I975-T978 PolarHBondContact O-N 2.75Å; I975-T978 PolarHBondContact O-OG1 3.48Å; T976-T978 VanDerWaalsContact C-N 3.27Å; T976-T978 PolarHBondContact O-N 3.23Å |
| 979 | Q | 90.4 | Very high | 86.2 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -70.3 | 145.4 | 178.9 | -61.2 | -52.4 | -59.5 | 0 | 0 | 111.6 | I975 T976 W981 Y982 F1070 | I975-Q979 WeakPolarHBondContact O-CG 3.46Å; I975-Q979 PolarHBondContact O-N 2.94Å; I975-Q979 PolarHBondContact O-NE2 3.02Å; T976-Q979 PolarHBondContact O-N 3.16Å; Q979-W981 HydrophobicContact CB-CD2 3.99Å; Q979-W981 HydrophobicContact CB-CE3 4.43Å; Q979-W981 HydrophobicContact CB-CG 4.44Å; Q979-W981 HydrophobicContact CB-CH2 4.25Å; Q979-W981 HydrophobicContact CB-CZ2 3.82Å; Q979-W981 HydrophobicContact CG-CH2 4.09Å; Q979-W981 HydrophobicContact CG-CZ2 3.61Å; Q979-W981 PolarHBondContact O-N 2.96Å; Q979-Y982 WeakPolarHBondContact O-CB 3.34Å; Q979-Y982 PolarHBondContact O-N 3.24Å; Q979-Y982 VanDerWaalsContact O-N 3.1Å; Q979-F1070 HydrophobicContact CG-CD2 4.16Å; Q979-F1070 HydrophobicContact CG-CE2 4.2Å |
| 980 | E | 85.6 | Confident | 85.1 | Confident | 203 Ų | 203 | 68 Ų | 68 | 95% | 0.949 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.3 | -177.8 | -63.2 | -175.7 | 171.5 | 0 | 0 | 113.4 | Y982 | E980-Y982 VanDerWaalsContact C-N 3.32Š|
| 981 | W | 86.6 | Confident | 84.1 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.2 | 178.6 | 50.4 | -104.4 | 0 | 0 | 0 | 113.6 | Q979 M998 F1065 F1070 | Q979-W981 HydrophobicContact CB-CD2 3.99Å; Q979-W981 HydrophobicContact CB-CE3 4.43Å; Q979-W981 HydrophobicContact CB-CG 4.44Å; Q979-W981 HydrophobicContact CB-CH2 4.25Å; Q979-W981 HydrophobicContact CB-CZ2 3.82Å; Q979-W981 HydrophobicContact CG-CH2 4.09Å; Q979-W981 HydrophobicContact CG-CZ2 3.61Å; Q979-W981 PolarHBondContact O-N 2.96Å; W981-M998 HydrophobicContact CE3-CE 3.88Å; W981-M998 HydrophobicContact CE3-SD 3.91Å; W981-M998 HydrophobicContact CZ3-CE 4.08Å; W981-M998 HydrophobicContact CZ3-CG 4.49Å; W981-M998 HydrophobicContact CZ3-SD 3.63Å; W981-F1065 HydrophobicContact CE3-CD1 4.42Å; W981-F1065 AromaticContact CH2-CD1 3.34Å; W981-F1065 HydrophobicContact CH2-CD1 3.34Å; W981-F1065 AromaticContact CH2-CE1 3.5Å; W981-F1065 HydrophobicContact CH2-CE1 3.5Å; W981-F1065 VanDerWaalsContact CH2-CE1 3.5Å; W981-F1065 HydrophobicContact CH2-CG 4.39Å; W981-F1065 HydrophobicContact CZ2-CD1 4.24Å; W981-F1065 AromaticContact CZ3-CD1 3.46Å; W981-F1065 HydrophobicContact CZ3-CD1 3.46Å; W981-F1065 VanDerWaalsContact CZ3-CD1 3.46Å; W981-F1065 AromaticContact CZ3-CE1 3.49Å; W981-F1065 HydrophobicContact CZ3-CE1 3.49Å; W981-F1065 VanDerWaalsContact CZ3-CE1 3.49Å; W981-F1070 AromaticContact CH2-CD1 3.76Å; W981-F1070 HydrophobicContact CH2-CD1 3.76Å; W981-F1070 HydrophobicContact CH2-CD2 4.18Å; W981-F1070 AromaticContact CH2-CE1 3.79Å; W981-F1070 HydrophobicContact CH2-CE1 3.79Å; W981-F1070 HydrophobicContact CH2-CE2 4.2Å; W981-F1070 AromaticContact CH2-CG 3.97Å; W981-F1070 HydrophobicContact CH2-CG 3.97Å; W981-F1070 HydrophobicContact CH2-CZ 4.01Å; W981-F1070 HydrophobicContact CZ2-CB 3.93Å; W981-F1070 AromaticContact CZ2-CD1 3.79Å; W981-F1070 HydrophobicContact CZ2-CD1 3.79Å; W981-F1070 AromaticContact CZ2-CD2 3.8Å; W981-F1070 HydrophobicContact CZ2-CD2 3.8Å; W981-F1070 HydrophobicContact CZ2-CE1 4.25Å; W981-F1070 HydrophobicContact CZ2-CE2 4.25Å; W981-F1070 AromaticContact CZ2-CG 3.55Å; W981-F1070 HydrophobicContact CZ2-CG 3.55Å; W981-F1070 HydrophobicContact CZ2-CZ 4.46Å |
| 982 | Y | 87.8 | Confident | 83.2 | Confident | 55 Ų | 55 | 65 Ų | 65 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | trans | -65.3 | 133.6 | -178.2 | 171.6 | -104.2 | 0 | 0 | 0 | 112.1 | T977 Q979 E980 P984 M998 E999 | T977-Y982 HydrophobicContact CG2-CD2 4.5Å; T977-Y982 HydrophobicContact CG2-CE1 4.36Å; T977-Y982 HydrophobicContact CG2-CE2 3.8Å; Q979-Y982 WeakPolarHBondContact O-CB 3.34Å; Q979-Y982 PolarHBondContact O-N 3.24Å; Q979-Y982 VanDerWaalsContact O-N 3.1Å; E980-Y982 VanDerWaalsContact C-N 3.32Å; Y982-P984 HydrophobicContact CE1-CB 4.13Å; Y982-M998 HydrophobicContact CD2-SD 3.97Å; Y982-E999 HydrophobicContact CE2-CG 4.27Å; Y982-E999 WeakPolarHBondContact CE2-OE1 3.4Å; Y982-E999 PolarHBondContact OH-OE1 2.95Å | ||
| 983 | I | 84.3 | Confident | 82.4 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | trans | -111.2 | 117.9 | 177.8 | -59.1 | 171.5 | 0 | 0 | 0 | 108.3 | M998 | I983-M998 HydrophobicContact CB-CE 4.08Å; I983-M998 HydrophobicContact CD1-CE 3.93Å; I983-M998 HydrophobicContact CG1-CE 3.85Å | ||
| 984 | P | 83.4 | Confident | 81.8 | Confident | 96 Ų | 96 | 72.2 Ų | 72.2 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | trans | -69.2 | 147.3 | -179.9 | 28.6 | -34.3 | 0 | 0 | 0 | 112 | Y982 | Y982-P984 HydrophobicContact CE1-CB 4.13Š| ||
| 985 | L | 83.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | trans | -61.3 | 150 | 179 | -76.5 | 163.1 | 0 | 0 | 0 | 113.9 | V907 T909 S987 N994 N997 E999 | V907-L985 HydrophobicContact CB-CD1 4.28Å; V907-L985 HydrophobicContact CG1-CD1 3.77Å; V907-L985 VanDerWaalsContact O-CD1 3.32Å; V907-L985 WeakPolarHBondContact O-CD1 3.23Å; T909-L985 HydrophobicContact CG2-CD1 4.06Å; L985-S987 PolarHBondContact O-N 3.4Å; L985-N994 HydrophobicContact CD2-CB 4.02Å; L985-N997 HydrophobicContact CD2-CB 3.67Å; L985-E999 HydrophobicContact CD1-CG 4.31Å; L985-E999 VanDerWaalsContact CD1-OE1 3.3Å; L985-E999 WeakPolarHBondContact CD1-OE1 3.28Å; L985-E999 VanDerWaalsContact CG-OE1 3.27Å; L985-E999 WeakPolarHBondContact CG-OE1 3.35Å | ||
| 986 | N | 74.5 | Confident | 81.1 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | trans | -71 | 113.9 | 174.9 | -171.3 | 0.9 | 0 | 0 | 0 | 110.6 | T988 V989 | N986-T988 PolarHBondContact ND2-OG1 3.1Å; N986-T988 PolarHBondContact O-N 3.2Å; N986-T988 PolarHBondContact OD1-N 3.4Å; N986-T988 PolarHBondContact OD1-OG1 3.02Å; N986-V989 PolarHBondContact O-N 2.95Å | ||
| 987 | S | 68.3 | Low | 81.1 | Confident | 87 Ų | 87 | 69 Ų | 69 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15 | -173.8 | 65.4 | 0 | 0 | 0 | 0 | 115.5 | L985 | L985-S987 PolarHBondContact O-N 3.4Š|
| 988 | T | 68.6 | Low | 81.1 | Confident | 115 Ų | 115 | 67.5 Ų | 67.5 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -15.7 | -176.9 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | N986 | N986-T988 PolarHBondContact ND2-OG1 3.1Å; N986-T988 PolarHBondContact O-N 3.2Å; N986-T988 PolarHBondContact OD1-N 3.4Å; N986-T988 PolarHBondContact OD1-OG1 3.02Å |
| 989 | V | 72 | Confident | 81.2 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 22% | 0.224 | 34% | 0.335 | C | S | . | . | trans | -112.2 | 145.3 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | N986 E993 N994 | N986-V989 PolarHBondContact O-N 2.95Å; V989-E993 HydrophobicContact CG1-CB 3.28Å; V989-E993 HydrophobicContact CG1-CG 4.43Å; V989-E993 WeakPolarHBondContact CG1-OE2 3.42Å; V989-N994 WeakPolarHBondContact CB-OD1 3.44Å; V989-N994 PolarHBondContact O-ND2 2.74Å | ||
| 990 | F | 71.3 | Confident | 81.3 | Confident | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | trans | -126.9 | 145.3 | -174.4 | -176.8 | -90.6 | 0 | 0 | 0 | 111.9 | L399 T402 V404 K908 | L399-F990 HydrophobicContact CD2-CD2 4.5Å; L399-F990 HydrophobicContact CD2-CE1 3.89Å; L399-F990 HydrophobicContact CD2-CE2 3.5Å; L399-F990 HydrophobicContact CD2-CZ 3.17Å; T402-F990 HydrophobicContact CG2-CD2 4.42Å; V404-F990 HydrophobicContact CG2-CD2 4.48Å; V404-F990 HydrophobicContact CG2-CG 4.49Å; K908-F990 HydrophobicContact CB-CD2 3.8Å; K908-F990 HydrophobicContact CB-CE2 4.04Å; K908-F990 HydrophobicContact CG-CD2 4.29Å; K908-F990 HydrophobicContact CG-CE2 4.43Å | ||
| 991 | G | 74.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | 73.3 | -132.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K908 E993 N994 | K908-G991 PolarHBondContact O-N 2.92Å; K908-G991 VanDerWaalsContact O-N 3.11Å; G991-E993 PolarHBondContact O-N 3.46Å; G991-N994 PolarHBondContact O-N 3.19Å |
| 992 | A | 73.6 | Confident | 82 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -72.1 | -17.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T910 N994 L995 | T910-A992 HydrophobicContact CG2-CB 4.02Å; A992-N994 PolarHBondContact O-N 2.93Å; A992-L995 HydrophobicContact CB-CD1 4.3Å; A992-L995 WeakPolarHBondContact O-CB 3.49Å; A992-L995 PolarHBondContact O-N 2.87Å |
| 993 | E | 76.4 | Confident | 82.3 | Confident | 159 Ų | 159 | 44.6 Ų | 44.6 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -71.7 | -20.4 | 175.3 | -65.8 | -175.7 | 172.3 | 0 | 0 | 112.4 | V989 G991 L995 | V989-E993 HydrophobicContact CG1-CB 3.28Å; V989-E993 HydrophobicContact CG1-CG 4.43Å; V989-E993 WeakPolarHBondContact CG1-OE2 3.42Å; G991-E993 PolarHBondContact O-N 3.46Å; E993-L995 PolarHBondContact O-N 2.87Å |
| 994 | N | 81.1 | Confident | 82.7 | Confident | 18 Ų | 18 | 40 Ų | 40 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -80.2 | 3.1 | 173.6 | -80.8 | -31.4 | 0 | 0 | 0 | 113.7 | K908 L985 V989 G991 A992 N997 | K908-N994 PolarHBondContact O-ND2 3.44Å; L985-N994 HydrophobicContact CD2-CB 4.02Å; V989-N994 WeakPolarHBondContact CB-OD1 3.44Å; V989-N994 PolarHBondContact O-ND2 2.74Å; G991-N994 PolarHBondContact O-N 3.19Å; A992-N994 PolarHBondContact O-N 2.93Å; N994-N997 WeakPolarHBondContact O-CB 3.38Å; N994-N997 PolarHBondContact O-ND2 3.36Å |
| 995 | L | 83.9 | Confident | 83.2 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -92.6 | 139.5 | -179.9 | -67.6 | 167.7 | 0 | 0 | 0 | 111.1 | A912 A992 E993 N1000 K1061 | A912-L995 HydrophobicContact CB-CD1 3.93Å; A992-L995 HydrophobicContact CB-CD1 4.3Å; A992-L995 WeakPolarHBondContact O-CB 3.49Å; A992-L995 PolarHBondContact O-N 2.87Å; E993-L995 PolarHBondContact O-N 2.87Å; L995-N1000 HydrophobicContact CD2-CB 3.91Å; L995-N1000 WeakPolarHBondContact CD2-ND2 3.29Å; L995-K1061 HydrophobicContact CB-CB 4.25Å; L995-K1061 HydrophobicContact CB-CD 3.82Å; L995-K1061 HydrophobicContact CD1-CD 4.19Å | ||
| 996 | P | 87.8 | Confident | 83.7 | Confident | 75 Ų | 75 | 34 Ų | 34 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | S | Bend | cis | -83.9 | 144.6 | 4.4 | 33.7 | -35.9 | 0 | 0 | 0 | 113.5 | K1061 | P996-K1061 HydrophobicContact CB-CB 4.45Å; P996-K1061 WeakPolarHBondContact CB-O 3.24Å |
| 997 | N | 89.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | trans | -140.9 | 166.3 | 175.6 | 61 | 58.5 | 0 | 0 | 0 | 113.4 | T909 L985 N994 N1000 T1001 Y1063 | T909-N997 PolarHBondContact OG1-ND2 3.46Å; L985-N997 HydrophobicContact CD2-CB 3.67Å; N994-N997 WeakPolarHBondContact O-CB 3.38Å; N994-N997 PolarHBondContact O-ND2 3.36Å; N997-N1000 WeakPolarHBondContact OD1-CA 3.23Å; N997-N1000 WeakPolarHBondContact OD1-CB 3.38Å; N997-N1000 PolarHBondContact OD1-N 2.99Å; N997-T1001 WeakPolarHBondContact O-CB 3.37Å; N997-T1001 PolarHBondContact O-N 3.36Å; N997-T1001 PolarHBondContact O-OG1 2.86Å; N997-Y1063 WeakPolarHBondContact O-CB 3.33Å | ||
| 998 | M | 90.6 | Very high | 86 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -75.2 | -36.8 | -171.6 | -63.8 | 178.4 | 176.3 | 0 | 0 | 112.1 | T976 W981 Y982 I983 T1001 S1002 Y1063 F1065 | T976-M998 HydrophobicContact CG2-CB 4.01Å; W981-M998 HydrophobicContact CE3-CE 3.88Å; W981-M998 HydrophobicContact CE3-SD 3.91Å; W981-M998 HydrophobicContact CZ3-CE 4.08Å; W981-M998 HydrophobicContact CZ3-CG 4.49Å; W981-M998 HydrophobicContact CZ3-SD 3.63Å; Y982-M998 HydrophobicContact CD2-SD 3.97Å; I983-M998 HydrophobicContact CB-CE 4.08Å; I983-M998 HydrophobicContact CD1-CE 3.93Å; I983-M998 HydrophobicContact CG1-CE 3.85Å; M998-T1001 PolarHBondContact O-N 3.5Å; M998-S1002 WeakPolarHBondContact O-CB 3.31Å; M998-S1002 PolarHBondContact O-N 3.15Å; M998-S1002 PolarHBondContact O-OG 3.24Å; M998-Y1063 HydrophobicContact CE-CD1 4.22Å; M998-Y1063 HydrophobicContact CE-CE1 3.38Å; M998-Y1063 HydrophobicContact CE-CE2 4.11Å; M998-Y1063 WeakPolarHBondContact CE-OH 3.34Å; M998-Y1063 HydrophobicContact CG-CD1 3.67Å; M998-Y1063 HydrophobicContact CG-CD2 4.17Å; M998-Y1063 HydrophobicContact CG-CE1 3.84Å; M998-Y1063 HydrophobicContact CG-CE2 4.29Å; M998-Y1063 HydrophobicContact CG-CG 3.87Å; M998-Y1063 HydrophobicContact SD-CE1 4.4Å; M998-F1065 HydrophobicContact CB-CE1 3.91Å; M998-F1065 HydrophobicContact CB-CZ 4.13Å; M998-F1065 HydrophobicContact CG-CE1 3.83Å; M998-F1065 HydrophobicContact CG-CZ 4.42Å; M998-F1065 HydrophobicContact SD-CE1 4.5Å |
| 999 | E | 91.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.2 | -49.7 | -179.6 | -58 | 87.6 | 154.8 | 0 | 0 | 110.9 | L904 F973 Y982 L985 T1001 S1002 V1003 | L904-E999 HydrophobicContact CD2-CB 4.22Å; F973-E999 HydrophobicContact CD2-CB 4.27Å; F973-E999 HydrophobicContact CD2-CG 4.27Å; F973-E999 HydrophobicContact CE2-CB 4.14Å; F973-E999 HydrophobicContact CE2-CG 3.76Å; Y982-E999 HydrophobicContact CE2-CG 4.27Å; Y982-E999 WeakPolarHBondContact CE2-OE1 3.4Å; Y982-E999 PolarHBondContact OH-OE1 2.95Å; L985-E999 HydrophobicContact CD1-CG 4.31Å; L985-E999 VanDerWaalsContact CD1-OE1 3.3Å; L985-E999 WeakPolarHBondContact CD1-OE1 3.28Å; L985-E999 VanDerWaalsContact CG-OE1 3.27Å; L985-E999 WeakPolarHBondContact CG-OE1 3.35Å; E999-T1001 PolarHBondContact O-N 3.36Å; E999-S1002 PolarHBondContact O-N 3.02Å; E999-S1002 PolarHBondContact O-OG 2.95Å; E999-V1003 WeakPolarHBondContact O-CB 3.42Å; E999-V1003 WeakPolarHBondContact O-CG2 3.28Å; E999-V1003 PolarHBondContact O-N 3.44Å |
| 1000 | N | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.5 | -178.7 | 41.6 | 0 | 0 | 0 | 110.8 | L904 M911 Q915 L995 N997 S1002 V1003 F1004 | L904-N1000 HydrophobicContact CD1-CB 4.46Å; L904-N1000 WeakPolarHBondContact CD1-OD1 3.49Å; L904-N1000 HydrophobicContact CD2-CB 4.38Å; M911-N1000 WeakPolarHBondContact CG-OD1 3.49Å; Q915-N1000 PolarHBondContact NE2-ND2 3.44Å; Q915-N1000 PolarHBondContact OE1-ND2 2.95Å; Q915-N1000 PolarHBondContact OE1-OD1 3.23Å; L995-N1000 HydrophobicContact CD2-CB 3.91Å; L995-N1000 WeakPolarHBondContact CD2-ND2 3.29Å; N997-N1000 WeakPolarHBondContact OD1-CA 3.23Å; N997-N1000 WeakPolarHBondContact OD1-CB 3.38Å; N997-N1000 PolarHBondContact OD1-N 2.99Å; N1000-S1002 VanDerWaalsContact C-N 3.35Å; N1000-S1002 PolarHBondContact O-N 2.84Å; N1000-V1003 PolarHBondContact O-N 3.28Å; N1000-F1004 WeakPolarHBondContact O-CB 3.43Å; N1000-F1004 PolarHBondContact O-N 3.34Å |
| 1001 | T | 92.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 16.6 Ų | 16.6 | 8% | 0.08 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.7 | -41.2 | -176.5 | -54 | 0 | 0 | 0 | 0 | 111.8 | N997 M998 E999 A1005 L1062 Y1063 F1065 | N997-T1001 WeakPolarHBondContact O-CB 3.37Å; N997-T1001 PolarHBondContact O-N 3.36Å; N997-T1001 PolarHBondContact O-OG1 2.86Å; M998-T1001 PolarHBondContact O-N 3.5Å; E999-T1001 PolarHBondContact O-N 3.36Å; T1001-A1005 VanDerWaalsContact O-CB 3.25Å; T1001-A1005 WeakPolarHBondContact O-CB 3.22Å; T1001-A1005 PolarHBondContact O-N 2.58Å; T1001-L1062 HydrophobicContact CG2-CB 4.28Å; T1001-L1062 HydrophobicContact CG2-CD2 4.07Å; T1001-Y1063 WeakPolarHBondContact OG1-CB 3.36Å; T1001-Y1063 PolarHBondContact OG1-N 2.86Å; T1001-F1065 HydrophobicContact CG2-CD2 4.44Å; T1001-F1065 HydrophobicContact CG2-CE2 3.58Å; T1001-F1065 HydrophobicContact CG2-CZ 4.27Å |
| 1002 | S | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70 | -45 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113 | T976 M998 E999 N1000 A1005 L1006 | T976-S1002 WeakPolarHBondContact OG1-CB 3.33Å; T976-S1002 PolarHBondContact OG1-OG 3.11Å; M998-S1002 WeakPolarHBondContact O-CB 3.31Å; M998-S1002 PolarHBondContact O-N 3.15Å; M998-S1002 PolarHBondContact O-OG 3.24Å; E999-S1002 PolarHBondContact O-N 3.02Å; E999-S1002 PolarHBondContact O-OG 2.95Å; N1000-S1002 VanDerWaalsContact C-N 3.35Å; N1000-S1002 PolarHBondContact O-N 2.84Å; S1002-A1005 PolarHBondContact O-N 2.78Å; S1002-L1006 PolarHBondContact O-N 3.2Å; S1002-L1006 VanDerWaalsContact O-N 3.16Å |
| 1003 | V | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | I903 L904 M911 F973 E999 N1000 S1007 | I903-V1003 HydrophobicContact CG2-CG2 4.43Å; L904-V1003 HydrophobicContact CD1-CG1 4.46Å; L904-V1003 HydrophobicContact CD2-CB 4.19Å; L904-V1003 HydrophobicContact CD2-CG2 4.07Å; L904-V1003 HydrophobicContact CG-CG1 4.42Å; M911-V1003 HydrophobicContact CE-CB 4.38Å; M911-V1003 HydrophobicContact CE-CG1 3.89Å; F973-V1003 HydrophobicContact CB-CG2 4.27Å; E999-V1003 WeakPolarHBondContact O-CB 3.42Å; E999-V1003 WeakPolarHBondContact O-CG2 3.28Å; E999-V1003 PolarHBondContact O-N 3.44Å; N1000-V1003 PolarHBondContact O-N 3.28Å; V1003-S1007 VanDerWaalsContact O-CB 3.28Å; V1003-S1007 WeakPolarHBondContact O-CB 3.5Å; V1003-S1007 PolarHBondContact O-N 3.09Å; V1003-S1007 PolarHBondContact O-OG 3.05Å |
| 1004 | F | 94.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 8.2 Ų | 8.2 | 2% | 0.018 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.9 | 173.1 | -105.7 | 0 | 0 | 0 | 111.8 | M911 Q915 F918 N1000 L1006 S1007 A1008 L1048 F1060 L1062 | M911-F1004 HydrophobicContact CE-CB 3.78Å; M911-F1004 HydrophobicContact CE-CD2 4.49Å; M911-F1004 HydrophobicContact SD-CB 4.25Å; M911-F1004 HydrophobicContact SD-CD2 4.03Å; Q915-F1004 HydrophobicContact CB-CD2 3.75Å; Q915-F1004 HydrophobicContact CB-CE2 3.56Å; Q915-F1004 HydrophobicContact CB-CZ 4.29Å; Q915-F1004 HydrophobicContact CG-CD2 3.84Å; Q915-F1004 HydrophobicContact CG-CE1 4.42Å; Q915-F1004 HydrophobicContact CG-CE2 3.72Å; Q915-F1004 HydrophobicContact CG-CG 4.26Å; Q915-F1004 HydrophobicContact CG-CZ 4.03Å; F918-F1004 HydrophobicContact CD1-CE2 4.42Å; F918-F1004 HydrophobicContact CD1-CZ 4.08Å; F918-F1004 HydrophobicContact CE1-CZ 4.4Å; N1000-F1004 WeakPolarHBondContact O-CB 3.43Å; N1000-F1004 PolarHBondContact O-N 3.34Å; F1004-L1006 PolarHBondContact O-N 3.46Å; F1004-S1007 WeakPolarHBondContact CA-OG 3.18Å; F1004-S1007 PolarHBondContact O-N 3.35Å; F1004-S1007 PolarHBondContact O-OG 2.97Å; F1004-A1008 VanDerWaalsContact O-CB 3.32Å; F1004-A1008 WeakPolarHBondContact O-CB 3.5Å; F1004-A1008 PolarHBondContact O-N 3.01Å; F1004-L1048 HydrophobicContact CE1-CD2 3.68Å; F1004-L1048 HydrophobicContact CZ-CD2 4.03Å; F1004-F1060 HydrophobicContact CZ-CD1 4.46Å; F1004-L1062 HydrophobicContact CD1-CD2 3.7Å; F1004-L1062 HydrophobicContact CE1-CD2 3.93Å |
| 1005 | A | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 7.4 Ų | 7.4 | 6% | 0.058 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1001 S1002 Y1009 V1049 L1074 | T1001-A1005 VanDerWaalsContact O-CB 3.25Å; T1001-A1005 WeakPolarHBondContact O-CB 3.22Å; T1001-A1005 PolarHBondContact O-N 2.58Å; S1002-A1005 PolarHBondContact O-N 2.78Å; A1005-Y1009 WeakPolarHBondContact O-CD2 3.43Å; A1005-V1049 HydrophobicContact CB-CG1 4.46Å; A1005-V1049 HydrophobicContact CB-CG2 3.7Å; A1005-L1074 HydrophobicContact CB-CD1 4.26Å |
| 1006 | L | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -70.6 | -41.9 | -179.9 | -174.1 | 64.5 | 0 | 0 | 0 | 112.4 | G968 A972 S1002 F1004 A1008 Y1009 Q1010 M1077 A1078 | G968-L1006 WeakPolarHBondContact O-CD2 3.48Å; A972-L1006 HydrophobicContact CB-CB 4.31Å; A972-L1006 HydrophobicContact CB-CD2 3.77Å; S1002-L1006 PolarHBondContact O-N 3.2Å; S1002-L1006 VanDerWaalsContact O-N 3.16Å; F1004-L1006 PolarHBondContact O-N 3.46Å; L1006-A1008 VanDerWaalsContact C-N 3.33Å; L1006-A1008 PolarHBondContact O-N 3.33Å; L1006-Y1009 PolarHBondContact O-N 2.89Å; L1006-Q1010 HydrophobicContact CG-CG 4.48Å; L1006-Q1010 WeakPolarHBondContact O-CG 3.14Å; L1006-Q1010 PolarHBondContact O-N 3.19Å; L1006-M1077 HydrophobicContact CD1-CG 4.3Å; L1006-M1077 HydrophobicContact CD2-CE 3.81Å; L1006-M1077 HydrophobicContact CD2-CG 4.48Å; L1006-M1077 HydrophobicContact CD2-SD 4.22Å; L1006-A1078 HydrophobicContact CD1-CB 4.07Å |
| 1007 | S | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 179.7 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | V1003 F1004 Y1009 Q1010 Y1011 | V1003-S1007 VanDerWaalsContact O-CB 3.28Å; V1003-S1007 WeakPolarHBondContact O-CB 3.5Å; V1003-S1007 PolarHBondContact O-N 3.09Å; V1003-S1007 PolarHBondContact O-OG 3.05Å; F1004-S1007 WeakPolarHBondContact CA-OG 3.18Å; F1004-S1007 PolarHBondContact O-N 3.35Å; F1004-S1007 PolarHBondContact O-OG 2.97Å; S1007-Y1009 VanDerWaalsContact C-N 3.31Å; S1007-Y1009 PolarHBondContact O-N 3.36Å; S1007-Q1010 WeakPolarHBondContact O-CB 3.38Å; S1007-Q1010 PolarHBondContact O-N 2.99Å; S1007-Q1010 VanDerWaalsContact O-N 3.07Å; S1007-Y1011 WeakPolarHBondContact O-CD2 3.4Å; S1007-Y1011 PolarHBondContact O-N 2.93Å |
| 1008 | A | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.008 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L923 F1004 L1006 V1045 | L923-A1008 HydrophobicContact CD1-CB 4.29Å; F1004-A1008 VanDerWaalsContact O-CB 3.32Å; F1004-A1008 WeakPolarHBondContact O-CB 3.5Å; F1004-A1008 PolarHBondContact O-N 3.01Å; L1006-A1008 VanDerWaalsContact C-N 3.33Å; L1006-A1008 PolarHBondContact O-N 3.33Å; A1008-V1045 HydrophobicContact CB-CG1 3.75Å; A1008-V1045 HydrophobicContact CB-CG2 4.13Å |
| 1009 | Y | 95.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.008 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 172.9 | -75.3 | -68.7 | 0 | 0 | 0 | 112.6 | A1005 L1006 S1007 Y1011 I1012 I1013 F1042 V1045 T1046 V1049 A1078 | A1005-Y1009 WeakPolarHBondContact O-CD2 3.43Å; L1006-Y1009 PolarHBondContact O-N 2.89Å; S1007-Y1009 VanDerWaalsContact C-N 3.31Å; S1007-Y1009 PolarHBondContact O-N 3.36Å; Y1009-Y1011 VanDerWaalsContact C-N 3.29Å; Y1009-Y1011 PolarHBondContact O-N 2.99Å; Y1009-I1012 PolarHBondContact O-N 3.22Å; Y1009-I1012 VanDerWaalsContact O-N 3.13Å; Y1009-I1013 WeakPolarHBondContact O-CB 3.49Å; Y1009-I1013 VanDerWaalsContact O-CG1 3.23Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; Y1009-I1013 PolarHBondContact O-N 3.49Å; Y1009-F1042 HydrophobicContact CD1-CD2 4.1Å; Y1009-F1042 AromaticContact CD1-CE2 3.77Å; Y1009-F1042 HydrophobicContact CD1-CE2 3.77Å; Y1009-F1042 HydrophobicContact CE1-CD2 4.02Å; Y1009-F1042 AromaticContact CE1-CE2 3.65Å; Y1009-F1042 HydrophobicContact CE1-CE2 3.65Å; Y1009-F1042 HydrophobicContact CE1-CZ 4.02Å; Y1009-V1045 HydrophobicContact CD1-CG1 3.99Å; Y1009-V1045 HydrophobicContact CD2-CG1 3.99Å; Y1009-V1045 HydrophobicContact CE1-CB 4.38Å; Y1009-V1045 HydrophobicContact CE1-CG1 3.84Å; Y1009-V1045 HydrophobicContact CE2-CG1 3.84Å; Y1009-V1045 HydrophobicContact CG-CG1 4.07Å; Y1009-T1046 WeakPolarHBondContact OH-CA 3.26Å; Y1009-T1046 WeakPolarHBondContact OH-CB 3.34Å; Y1009-T1046 PolarHBondContact OH-OG1 3.01Å; Y1009-V1049 HydrophobicContact CE2-CG2 4.08Å; Y1009-A1078 HydrophobicContact CD1-CB 4.2Å; Y1009-A1078 HydrophobicContact CD2-CB 3.55Å; Y1009-A1078 HydrophobicContact CE2-CB 4.16Å; Y1009-A1078 HydrophobicContact CG-CB 3.56Å |
| 1010 | Q | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -59.5 | -37.9 | 179.8 | -71.8 | 174.1 | -25.8 | 0 | 0 | 112.3 | I896 I965 L1006 S1007 I1012 I1013 M1014 N1081 | I896-Q1010 HydrophobicContact CD1-CB 4.02Å; I896-Q1010 HydrophobicContact CG1-CB 4.45Å; I896-Q1010 HydrophobicContact CG2-CB 4.39Å; I965-Q1010 PolarHBondContact O-NE2 2.96Å; L1006-Q1010 HydrophobicContact CG-CG 4.48Å; L1006-Q1010 WeakPolarHBondContact O-CG 3.14Å; L1006-Q1010 PolarHBondContact O-N 3.19Å; S1007-Q1010 WeakPolarHBondContact O-CB 3.38Å; S1007-Q1010 PolarHBondContact O-N 2.99Å; S1007-Q1010 VanDerWaalsContact O-N 3.07Å; Q1010-I1012 PolarHBondContact O-N 3.33Å; Q1010-I1013 PolarHBondContact O-N 3.24Å; Q1010-M1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-M1014 VanDerWaalsContact O-CG 3.31Å; Q1010-M1014 WeakPolarHBondContact O-CG 3.08Å; Q1010-M1014 PolarHBondContact O-N 2.8Å; Q1010-N1081 PolarHBondContact NE2-ND2 3.3Å |
| 1011 | Y | 95.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.016 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.9 | -63.3 | -55.8 | 0 | 0 | 0 | 111.9 | Y889 Y893 I896 Q897 C919 L923 V924 S1007 Y1009 A1015 | Y889-Y1011 WeakPolarHBondContact CE2-O 3.26Å; Y893-Y1011 HydrophobicContact CD2-CE1 4.22Å; I896-Y1011 HydrophobicContact CB-CD1 4.23Å; I896-Y1011 HydrophobicContact CB-CE1 3.63Å; I896-Y1011 HydrophobicContact CD1-CD1 3.84Å; I896-Y1011 HydrophobicContact CD1-CE1 4.14Å; I896-Y1011 HydrophobicContact CG1-CE1 4.47Å; I896-Y1011 HydrophobicContact CG2-CD1 3.99Å; I896-Y1011 HydrophobicContact CG2-CE1 3.39Å; I896-Y1011 HydrophobicContact CG2-CE2 4.24Å; Q897-Y1011 WeakPolarHBondContact CA-OH 3.29Å; Q897-Y1011 WeakPolarHBondContact CB-OH 3.35Å; C919-Y1011 HydrophobicContact CB-CD2 4.3Å; C919-Y1011 HydrophobicContact CB-CE2 3.78Å; C919-Y1011 VanDerWaalsContact SG-CE2 3.56Å; L923-Y1011 HydrophobicContact CD1-CD2 3.97Å; V924-Y1011 HydrophobicContact CG2-CD1 4.07Å; V924-Y1011 HydrophobicContact CG2-CG 4.28Å; S1007-Y1011 WeakPolarHBondContact O-CD2 3.4Å; S1007-Y1011 PolarHBondContact O-N 2.93Å; Y1009-Y1011 VanDerWaalsContact C-N 3.29Å; Y1009-Y1011 PolarHBondContact O-N 2.99Å; Y1011-A1015 PolarHBondContact O-N 3.35Å |
| 1012 | I | 95.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 179.6 | -60 | 171.3 | 0 | 0 | 0 | 110.6 | L927 Y1009 Q1010 M1014 A1015 V1016 L1038 H1041 V1045 | L927-I1012 HydrophobicContact CD1-CG1 4.45Å; Y1009-I1012 PolarHBondContact O-N 3.22Å; Y1009-I1012 VanDerWaalsContact O-N 3.13Å; Q1010-I1012 PolarHBondContact O-N 3.33Å; I1012-M1014 PolarHBondContact O-N 3.43Å; I1012-A1015 WeakPolarHBondContact O-CB 3.5Å; I1012-A1015 PolarHBondContact O-N 2.9Å; I1012-V1016 PolarHBondContact O-N 3.31Å; I1012-L1038 HydrophobicContact CG2-CD1 3.53Å; I1012-L1038 HydrophobicContact CG2-CG 4.3Å; I1012-H1041 HydrophobicContact CD1-CB 3.8Å; I1012-H1041 HydrophobicContact CG1-CB 4.19Å; I1012-V1045 HydrophobicContact CD1-CB 4.28Å; I1012-V1045 HydrophobicContact CD1-CG2 3.77Å |
| 1013 | I | 94.5 | Very high | 90.4 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | -179.7 | -69.1 | 165.3 | 0 | 0 | 0 | 110.4 | Y1009 Q1010 A1015 V1016 I1017 A1078 N1081 L1082 | Y1009-I1013 WeakPolarHBondContact O-CB 3.49Å; Y1009-I1013 VanDerWaalsContact O-CG1 3.23Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.33Å; Y1009-I1013 PolarHBondContact O-N 3.49Å; Q1010-I1013 PolarHBondContact O-N 3.24Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.48Å; I1013-V1016 WeakPolarHBondContact O-CB 3.47Å; I1013-V1016 PolarHBondContact O-N 3.06Å; I1013-I1017 HydrophobicContact CG2-CG1 4.03Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.45Å; I1013-I1017 PolarHBondContact O-N 2.89Å; I1013-A1078 WeakPolarHBondContact CD1-O 3.32Å; I1013-N1081 HydrophobicContact CD1-CB 4.47Å; I1013-L1082 HydrophobicContact CB-CD1 4.45Å; I1013-L1082 HydrophobicContact CD1-CB 3.93Å; I1013-L1082 HydrophobicContact CG1-CB 4.08Å; I1013-L1082 HydrophobicContact CG1-CD1 4.21Å; I1013-L1082 HydrophobicContact CG2-CB 4.22Å; I1013-L1082 HydrophobicContact CG2-CD1 3.77Å |
| 1014 | M | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.2 | -33.5 | -179.4 | -73 | -54 | 121.4 | 0 | 0 | 112.7 | Y889 L892 I896 H961 I965 Q1010 I1012 V1016 I1017 V1018 C1085 | Y889-M1014 HydrophobicContact CD2-CB 4.36Å; Y889-M1014 HydrophobicContact CE2-CB 4.47Å; L892-M1014 HydrophobicContact CB-CG 4.45Å; L892-M1014 HydrophobicContact CD1-CG 4.47Å; L892-M1014 HydrophobicContact CD1-SD 3.98Å; I896-M1014 HydrophobicContact CD1-CG 3.89Å; H961-M1014 HydrophobicContact CB-SD 4.46Å; I965-M1014 HydrophobicContact CD1-CE 4.12Å; I965-M1014 HydrophobicContact CD1-CG 3.98Å; I965-M1014 HydrophobicContact CD1-SD 3.94Å; I965-M1014 HydrophobicContact CG1-CE 4.21Å; Q1010-M1014 WeakPolarHBondContact O-CB 3.48Å; Q1010-M1014 VanDerWaalsContact O-CG 3.31Å; Q1010-M1014 WeakPolarHBondContact O-CG 3.08Å; Q1010-M1014 PolarHBondContact O-N 2.8Å; I1012-M1014 PolarHBondContact O-N 3.43Å; M1014-V1016 VanDerWaalsContact C-N 3.26Å; M1014-V1016 PolarHBondContact O-N 3.39Å; M1014-I1017 PolarHBondContact O-N 3.24Å; M1014-V1018 VanDerWaalsContact O-CB 3.28Å; M1014-V1018 WeakPolarHBondContact O-CB 3.38Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; M1014-V1018 PolarHBondContact O-N 3.5Å; M1014-C1085 HydrophobicContact CE-CB 3.89Å; M1014-C1085 WeakPolarHBondContact CE-SG 3.16Å |
| 1015 | A | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y889 L927 Y1011 I1012 I1013 T1019 F1034 | Y889-A1015 HydrophobicContact CD2-CB 4.12Å; Y889-A1015 HydrophobicContact CE2-CB 3.64Å; L927-A1015 HydrophobicContact CB-CB 4.45Å; L927-A1015 HydrophobicContact CD1-CB 4.06Å; Y1011-A1015 PolarHBondContact O-N 3.35Å; I1012-A1015 WeakPolarHBondContact O-CB 3.5Å; I1012-A1015 PolarHBondContact O-N 2.9Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.48Å; A1015-T1019 WeakPolarHBondContact O-CB 3.25Å; A1015-T1019 PolarHBondContact O-N 3.08Å; A1015-T1019 PolarHBondContact O-OG1 3.27Å; A1015-F1034 HydrophobicContact CB-CZ 4.36Å |
| 1016 | V | 91.9 | Very high | 89.6 | Confident | 46 Ų | 46 | 22.8 Ų | 22.8 | 28% | 0.279 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -72.3 | -50.6 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | I1012 I1013 M1014 V1018 T1019 L1038 | I1012-V1016 PolarHBondContact O-N 3.31Å; I1013-V1016 WeakPolarHBondContact O-CB 3.47Å; I1013-V1016 PolarHBondContact O-N 3.06Å; M1014-V1016 VanDerWaalsContact C-N 3.26Å; M1014-V1016 PolarHBondContact O-N 3.39Å; V1016-V1018 VanDerWaalsContact C-N 3.33Å; V1016-V1018 PolarHBondContact O-N 3.44Å; V1016-T1019 PolarHBondContact O-N 2.89Å; V1016-L1038 HydrophobicContact CG2-CD1 3.57Å; V1016-L1038 HydrophobicContact CG2-CD2 3.56Å; V1016-L1038 HydrophobicContact CG2-CG 4.19Å |
| 1017 | I | 91.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | -174.8 | -63.1 | -55.4 | 0 | 0 | 0 | 112.2 | I1013 M1014 L1082 C1085 F1086 E1089 | I1013-I1017 HydrophobicContact CG2-CG1 4.03Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.45Å; I1013-I1017 PolarHBondContact O-N 2.89Å; M1014-I1017 PolarHBondContact O-N 3.24Å; I1017-L1082 HydrophobicContact CD1-CD1 4.28Å; I1017-C1085 HydrophobicContact CD1-CB 4.39Å; I1017-C1085 HydrophobicContact CG1-CB 4Å; I1017-F1086 HydrophobicContact CD1-CB 3.84Å; I1017-F1086 HydrophobicContact CD1-CD2 4.12Å; I1017-E1089 HydrophobicContact CG2-CB 3.91Å; I1017-E1089 HydrophobicContact CG2-CG 4.16Å |
| 1018 | V | 89.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -78.8 | -22.3 | -177.1 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | S885 R888 L892 M1014 V1016 K1020 | S885-V1018 WeakPolarHBondContact O-CG1 3.3Å; S885-V1018 PolarHBondContact OG-O 3.24Å; R888-V1018 HydrophobicContact CB-CG1 3.45Å; R888-V1018 VanDerWaalsContact CB-CG1 3.45Å; R888-V1018 HydrophobicContact CB-CG2 4.44Å; R888-V1018 HydrophobicContact CG-CG1 4.49Å; L892-V1018 HydrophobicContact CD1-CG2 3.61Å; M1014-V1018 VanDerWaalsContact O-CB 3.28Å; M1014-V1018 WeakPolarHBondContact O-CB 3.38Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; M1014-V1018 PolarHBondContact O-N 3.5Å; V1016-V1018 VanDerWaalsContact C-N 3.33Å; V1016-V1018 PolarHBondContact O-N 3.44Å; V1018-K1020 PolarHBondContact O-N 3.5Å |
| 1019 | T | 86.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 10% | 0.104 | 17% | 0.165 | C | C | . | . | trans | -75.1 | 85.2 | -178.9 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | M931 A1015 V1016 S1021 L1028 | M931-T1019 HydrophobicContact CG-CG2 4.44Å; M931-T1019 PolarHBondContact SD-OG1 2.91Å; A1015-T1019 WeakPolarHBondContact O-CB 3.25Å; A1015-T1019 PolarHBondContact O-N 3.08Å; A1015-T1019 PolarHBondContact O-OG1 3.27Å; V1016-T1019 PolarHBondContact O-N 2.89Å; T1019-S1021 PolarHBondContact O-N 3.35Å; T1019-L1028 HydrophobicContact CG2-CD1 3.91Å | ||
| 1020 | K | 77.1 | Confident | 88 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 23% | 0.23 | 19% | 0.187 | C | C | . | . | trans | -72.9 | 130 | 173.7 | -60.2 | -158.8 | -176.3 | -146.3 | 0 | 111.1 | V1018 E1089 D1093 | V1018-K1020 PolarHBondContact O-N 3.5Å; K1020-E1089 WeakPolarHBondContact CE-OE1 3.44Å; K1020-E1089 IonicContact NZ-OE1 2.86Å; K1020-E1089 PolarHBondContact NZ-OE1 3.22Å; K1020-D1093 IonicContact NZ-OD1 2.96Å; K1020-D1093 PolarHBondContact NZ-OD1 3.36Å; K1020-D1093 IonicContact NZ-OD2 3.62Å; K1020-D1093 PolarHBondContact NZ-OD2 3.38Å | ||
| 1021 | S | 72.9 | Confident | 87.8 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | trans | -98.5 | -82.7 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | T1019 H1024 K1025 K1026 L1028 | T1019-S1021 PolarHBondContact O-N 3.35Å; S1021-H1024 PolarHBondContact O-N 2.96Å; S1021-K1025 CarbonylContact C-O 3.44Å; S1021-K1025 VanDerWaalsContact C-O 3.27Å; S1021-K1025 CarbonylContact O-C 3.53Å; S1021-K1025 WeakPolarHBondContact O-CA 3.48Å; S1021-K1025 WeakPolarHBondContact O-CB 3.24Å; S1021-K1025 PolarHBondContact O-N 3.03Å; S1021-K1026 WeakPolarHBondContact CB-O 3.28Å; S1021-L1028 PolarHBondContact OG-N 2.7Å | ||
| 1022 | F | 77.2 | Confident | 87.6 | Confident | 171 Ų | 171 | 44 Ų | 44 | 75% | 0.75 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | 144.4 | -179.2 | -171.5 | -97.1 | 0 | 0 | 0 | 111.5 | ||
| 1023 | P | 83.2 | Confident | 87.5 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.6 | 4.5 | 3.1 | 35.4 | -34.2 | 0 | 0 | 0 | 115.6 | S937 H941 | S937-P1023 WeakPolarHBondContact CB-O 3.31Å; H941-P1023 HydrophobicContact CB-CB 3.89Å; H941-P1023 HydrophobicContact CB-CG 4.36Å |
| 1024 | H | 86.8 | Confident | 87.5 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -23.7 | -169.1 | -62.4 | -40.5 | 0 | 0 | 0 | 115 | R877 V881 S937 C943 S1021 | R877-H1024 HydrophobicContact CB-CB 4.41Å; V881-H1024 HydrophobicContact CG2-CB 3.92Å; S937-H1024 PolarHBondContact N-O 3.36Å; C943-H1024 PolarHBondContact O-CE1 3.05Å; S1021-H1024 PolarHBondContact O-N 2.96Å |
| 1025 | K | 88.7 | Confident | 87.4 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -117.9 | 156.4 | 177.4 | -66.5 | -179.7 | 70 | 171.1 | 0 | 109.6 | C878 V881 T882 G935 S1021 | C878-K1025 HydrophobicContact CB-CG 4.37Å; V881-K1025 HydrophobicContact CB-CD 4.43Å; V881-K1025 HydrophobicContact CG1-CD 4Å; V881-K1025 HydrophobicContact CG1-CG 4.44Å; T882-K1025 WeakPolarHBondContact OG1-CD 3.27Å; T882-K1025 WeakPolarHBondContact OG1-CE 3.32Å; T882-K1025 PolarHBondContact OG1-NZ 2.92Å; G935-K1025 WeakPolarHBondContact O-CA 3.34Å; S1021-K1025 CarbonylContact C-O 3.44Å; S1021-K1025 VanDerWaalsContact C-O 3.27Å; S1021-K1025 CarbonylContact O-C 3.53Å; S1021-K1025 WeakPolarHBondContact O-CA 3.48Å; S1021-K1025 WeakPolarHBondContact O-CB 3.24Å; S1021-K1025 PolarHBondContact O-N 3.03Å |
| 1026 | K | 88.6 | Confident | 87.5 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 30% | 0.296 | 27% | 0.272 | S | S | . | . | trans | -61.3 | 153.4 | 167.3 | -66.2 | -170.9 | 178 | -171 | 0 | 110.4 | G935 P936 E938 S1021 H1030 | G935-K1026 PolarHBondContact O-N 2.94Å; P936-K1026 VanDerWaalsContact O-CE 3.32Å; P936-K1026 WeakPolarHBondContact O-CE 3.39Å; P936-K1026 VanDerWaalsContact O-CG 3.31Å; P936-K1026 WeakPolarHBondContact O-CG 3.41Å; E938-K1026 WeakPolarHBondContact OE1-CE 3.01Å; E938-K1026 IonicContact OE1-NZ 3.81Å; E938-K1026 PolarHBondContact OE1-NZ 3Å; S1021-K1026 WeakPolarHBondContact CB-O 3.28Å; K1026-H1030 HydrophobicContact CB-CB 4.03Å; K1026-H1030 HydrophobicContact CD-CB 4.47Å | ||
| 1027 | P | 87.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 31% | 0.312 | 27% | 0.267 | S | S | . | . | trans | -50.9 | 149.3 | 172.2 | -28.5 | 36.5 | 0 | 0 | 0 | 113.2 | Y1029 H1030 | P1027-Y1029 HydrophobicContact CB-CD1 3.52Å; P1027-Y1029 HydrophobicContact CB-CE1 3.09Å; P1027-Y1029 HydrophobicContact CB-CE2 4.26Å; P1027-Y1029 HydrophobicContact CB-CG 4.26Å; P1027-Y1029 HydrophobicContact CG-CE1 3.78Å; P1027-Y1029 PolarHBondContact O-N 2.98Å; P1027-Y1029 VanDerWaalsContact O-N 3.11Å; P1027-H1030 WeakPolarHBondContact O-CB 3.43Å; P1027-H1030 PolarHBondContact O-N 3.42Å | ||
| 1028 | L | 86 | Confident | 87.8 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -53.3 | -35.4 | -175.7 | -163.3 | 141.6 | 0 | 0 | 0 | 113.4 | T1019 S1021 H1030 N1031 F1034 L1035 | T1019-L1028 HydrophobicContact CG2-CD1 3.91Å; S1021-L1028 PolarHBondContact OG-N 2.7Å; L1028-H1030 PolarHBondContact O-N 2.96Å; L1028-N1031 PolarHBondContact O-N 3.19Å; L1028-N1031 VanDerWaalsContact O-N 3.11Å; L1028-F1034 HydrophobicContact CD1-CD1 4.47Å; L1028-F1034 HydrophobicContact CD1-CE1 3.93Å; L1028-F1034 HydrophobicContact CD2-CD1 3.9Å; L1028-F1034 HydrophobicContact CD2-CE1 3.95Å; L1028-F1034 HydrophobicContact CG-CD1 4.02Å; L1028-F1034 HydrophobicContact CG-CE1 3.98Å; L1028-L1035 HydrophobicContact CD2-CD1 4.48Å |
| 1029 | Y | 85.9 | Confident | 88.1 | Confident | 153 Ų | 153 | 58.2 Ų | 58.2 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -67 | -17.6 | 179 | 61.3 | -100.1 | 0 | 0 | 0 | 114.7 | P1027 N1031 | P1027-Y1029 HydrophobicContact CB-CD1 3.52Å; P1027-Y1029 HydrophobicContact CB-CE1 3.09Å; P1027-Y1029 HydrophobicContact CB-CE2 4.26Å; P1027-Y1029 HydrophobicContact CB-CG 4.26Å; P1027-Y1029 HydrophobicContact CG-CE1 3.78Å; P1027-Y1029 PolarHBondContact O-N 2.98Å; P1027-Y1029 VanDerWaalsContact O-N 3.11Å; Y1029-N1031 VanDerWaalsContact C-N 3.27Å; Y1029-N1031 PolarHBondContact O-N 3.45Å |
| 1030 | H | 88.1 | Confident | 88.5 | Confident | 99 Ų | 99 | 62 Ų | 62 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -72.6 | -22.8 | 173 | -78.1 | 78.4 | 0 | 0 | 0 | 112.4 | K1026 P1027 L1028 V1032 | K1026-H1030 HydrophobicContact CB-CB 4.03Å; K1026-H1030 HydrophobicContact CD-CB 4.47Å; P1027-H1030 WeakPolarHBondContact O-CB 3.43Å; P1027-H1030 PolarHBondContact O-N 3.42Å; L1028-H1030 PolarHBondContact O-N 2.96Å; H1030-V1032 VanDerWaalsContact C-N 3.31Å; H1030-V1032 PolarHBondContact O-N 2.97Å; H1030-V1032 VanDerWaalsContact O-N 3.16Å |
| 1031 | N | 91.2 | Very high | 89.4 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -87.8 | 75.6 | 173.8 | -168.5 | -6.1 | 0 | 0 | 0 | 109.3 | V930 G934 L1028 Y1029 I1033 F1034 L1035 | V930-N1031 PolarHBondContact O-ND2 3.35Å; G934-N1031 PolarHBondContact N-ND2 2.73Å; L1028-N1031 PolarHBondContact O-N 3.19Å; L1028-N1031 VanDerWaalsContact O-N 3.11Å; Y1029-N1031 VanDerWaalsContact C-N 3.27Å; Y1029-N1031 PolarHBondContact O-N 3.45Å; N1031-I1033 PolarHBondContact O-N 2.96Å; N1031-F1034 HydrophobicContact CB-CB 3.92Å; N1031-F1034 WeakPolarHBondContact ND2-CB 3.08Å; N1031-F1034 WeakPolarHBondContact O-CB 3.49Å; N1031-F1034 PolarHBondContact O-N 2.83Å; N1031-F1034 PolarHBondContact OD1-N 3.43Å; N1031-L1035 PolarHBondContact O-N 3.39Å | ||
| 1032 | V | 91.7 | Very high | 90.4 | Very high | 93 Ų | 93 | 62.8 Ų | 62.8 | 56% | 0.564 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.2 | -40.8 | -175.4 | -179 | 0 | 0 | 0 | 0 | 111.7 | H1030 F1034 L1035 C1036 | H1030-V1032 VanDerWaalsContact C-N 3.31Å; H1030-V1032 PolarHBondContact O-N 2.97Å; H1030-V1032 VanDerWaalsContact O-N 3.16Å; V1032-F1034 VanDerWaalsContact C-N 3.34Å; V1032-F1034 PolarHBondContact O-N 3Å; V1032-L1035 PolarHBondContact O-N 3.21Å; V1032-C1036 PolarHBondContact O-N 3.25Å; V1032-C1036 PolarHBondContact O-SG 3.49Å |
| 1033 | I | 93.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.6 | -55.8 | 175.2 | 0 | 0 | 0 | 110.4 | V930 N1031 L1035 C1036 V1037 | V930-I1033 HydrophobicContact CG1-CB 3.91Å; V930-I1033 HydrophobicContact CG1-CG2 3.55Å; V930-I1033 HydrophobicContact CG2-CG2 4.32Å; N1031-I1033 PolarHBondContact O-N 2.96Å; I1033-L1035 VanDerWaalsContact C-N 3.35Å; I1033-L1035 PolarHBondContact O-N 3.16Å; I1033-C1036 PolarHBondContact O-N 2.88Å; I1033-V1037 HydrophobicContact CG2-CG2 4.43Å; I1033-V1037 WeakPolarHBondContact O-CB 3.42Å; I1033-V1037 VanDerWaalsContact O-CG2 3.23Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; I1033-V1037 PolarHBondContact O-N 3.36Å |
| 1034 | F | 92.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.2 | -177.3 | -111.2 | 0 | 0 | 0 | 111.8 | L927 V930 M931 A1015 L1028 N1031 V1032 V1037 L1038 | L927-F1034 HydrophobicContact CD2-CD2 4.49Å; L927-F1034 HydrophobicContact CD2-CE2 3.91Å; V930-F1034 HydrophobicContact CB-CD2 4.32Å; V930-F1034 HydrophobicContact CG1-CB 3.75Å; V930-F1034 HydrophobicContact CG1-CD2 4.28Å; V930-F1034 VanDerWaalsContact CG1-N 3.26Å; M931-F1034 HydrophobicContact CB-CD2 4.17Å; M931-F1034 HydrophobicContact CB-CE2 3.82Å; M931-F1034 HydrophobicContact CB-CZ 4.5Å; M931-F1034 HydrophobicContact CG-CE2 4.42Å; A1015-F1034 HydrophobicContact CB-CZ 4.36Å; L1028-F1034 HydrophobicContact CD1-CD1 4.47Å; L1028-F1034 HydrophobicContact CD1-CE1 3.93Å; L1028-F1034 HydrophobicContact CD2-CD1 3.9Å; L1028-F1034 HydrophobicContact CD2-CE1 3.95Å; L1028-F1034 HydrophobicContact CG-CD1 4.02Å; L1028-F1034 HydrophobicContact CG-CE1 3.98Å; N1031-F1034 HydrophobicContact CB-CB 3.92Å; N1031-F1034 WeakPolarHBondContact ND2-CB 3.08Å; N1031-F1034 WeakPolarHBondContact O-CB 3.49Å; N1031-F1034 PolarHBondContact O-N 2.83Å; N1031-F1034 PolarHBondContact OD1-N 3.43Å; V1032-F1034 VanDerWaalsContact C-N 3.34Å; V1032-F1034 PolarHBondContact O-N 3Å; F1034-V1037 PolarHBondContact O-N 2.89Å; F1034-L1038 VanDerWaalsContact O-CB 3.28Å; F1034-L1038 WeakPolarHBondContact O-CB 3.45Å; F1034-L1038 PolarHBondContact O-N 3.05Å |
| 1035 | L | 93.1 | Very high | 92.2 | Very high | 63 Ų | 63 | 57.9 Ų | 57.9 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 178.7 | -172.6 | 66.9 | 0 | 0 | 0 | 111.9 | L1028 N1031 V1032 I1033 V1037 L1038 L1039 | L1028-L1035 HydrophobicContact CD2-CD1 4.48Å; N1031-L1035 PolarHBondContact O-N 3.39Å; V1032-L1035 PolarHBondContact O-N 3.21Å; I1033-L1035 VanDerWaalsContact C-N 3.35Å; I1033-L1035 PolarHBondContact O-N 3.16Å; L1035-V1037 VanDerWaalsContact C-N 3.35Å; L1035-V1037 PolarHBondContact O-N 3.45Å; L1035-L1038 WeakPolarHBondContact O-CB 3.23Å; L1035-L1038 PolarHBondContact O-N 3.4Å; L1035-L1039 HydrophobicContact CG-CD1 4.29Å; L1035-L1039 WeakPolarHBondContact O-CG 3.41Å; L1035-L1039 PolarHBondContact O-N 2.87Å |
| 1036 | C | 94.8 | Very high | 92.4 | Very high | 62 Ų | 62 | 58.7 Ų | 58.7 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 176.2 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | V1032 I1033 L1038 L1039 I1040 | V1032-C1036 PolarHBondContact O-N 3.25Å; V1032-C1036 PolarHBondContact O-SG 3.49Å; I1033-C1036 PolarHBondContact O-N 2.88Å; C1036-L1038 VanDerWaalsContact C-N 3.33Å; C1036-L1038 PolarHBondContact O-N 3.48Å; C1036-L1039 PolarHBondContact O-N 3.38Å; C1036-I1040 VanDerWaalsContact O-CG1 3.26Å; C1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; C1036-I1040 PolarHBondContact O-N 3.04Å |
| 1037 | V | 95.1 | Very high | 92.6 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | L927 V930 I1033 F1034 L1035 I1040 H1041 | L927-V1037 HydrophobicContact CD2-CG1 4.11Å; V930-V1037 HydrophobicContact CG2-CG2 4.41Å; I1033-V1037 HydrophobicContact CG2-CG2 4.43Å; I1033-V1037 WeakPolarHBondContact O-CB 3.42Å; I1033-V1037 VanDerWaalsContact O-CG2 3.23Å; I1033-V1037 WeakPolarHBondContact O-CG2 3.38Å; I1033-V1037 PolarHBondContact O-N 3.36Å; F1034-V1037 PolarHBondContact O-N 2.89Å; L1035-V1037 VanDerWaalsContact C-N 3.35Å; L1035-V1037 PolarHBondContact O-N 3.45Å; V1037-I1040 PolarHBondContact O-N 2.8Å; V1037-H1041 WeakPolarHBondContact CG1-CE1 3.16Å; V1037-H1041 VanDerWaalsContact CG1-ND1 3.26Å; V1037-H1041 WeakPolarHBondContact CG1-ND1 3.35Å; V1037-H1041 WeakPolarHBondContact O-CB 3.37Å; V1037-H1041 PolarHBondContact O-N 2.85Å; V1037-H1041 PolarHBondContact O-ND1 3.22Å |
| 1038 | L | 94.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.5 | -171.6 | 79.6 | 0 | 0 | 0 | 112 | L927 I1012 V1016 F1034 L1035 C1036 H1041 F1042 | L927-L1038 HydrophobicContact CD2-CD1 4.19Å; I1012-L1038 HydrophobicContact CG2-CD1 3.53Å; I1012-L1038 HydrophobicContact CG2-CG 4.3Å; V1016-L1038 HydrophobicContact CG2-CD1 3.57Å; V1016-L1038 HydrophobicContact CG2-CD2 3.56Å; V1016-L1038 HydrophobicContact CG2-CG 4.19Å; F1034-L1038 VanDerWaalsContact O-CB 3.28Å; F1034-L1038 WeakPolarHBondContact O-CB 3.45Å; F1034-L1038 PolarHBondContact O-N 3.05Å; L1035-L1038 WeakPolarHBondContact O-CB 3.23Å; L1035-L1038 PolarHBondContact O-N 3.4Å; C1036-L1038 VanDerWaalsContact C-N 3.33Å; C1036-L1038 PolarHBondContact O-N 3.48Å; L1038-H1041 PolarHBondContact O-N 3Å; L1038-F1042 WeakPolarHBondContact O-CB 3.5Å; L1038-F1042 PolarHBondContact O-N 3.41Å |
| 1039 | L | 95 | Very high | 93 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 178.4 | -71 | 172.1 | 0 | 0 | 0 | 111.8 | L1035 C1036 F1042 A1043 | L1035-L1039 HydrophobicContact CG-CD1 4.29Å; L1035-L1039 WeakPolarHBondContact O-CG 3.41Å; L1035-L1039 PolarHBondContact O-N 2.87Å; C1036-L1039 PolarHBondContact O-N 3.38Å; L1039-F1042 PolarHBondContact O-N 3.07Å; L1039-A1043 VanDerWaalsContact O-CB 3.31Å; L1039-A1043 WeakPolarHBondContact O-CB 3.4Å; L1039-A1043 PolarHBondContact O-N 3.13Å |
| 1040 | I | 95.9 | Very high | 93.2 | Very high | 98 Ų | 98 | 50.4 Ų | 50.4 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.2 | -70.4 | 165.7 | 0 | 0 | 0 | 110.1 | C1036 V1037 F1042 A1043 V1044 | C1036-I1040 VanDerWaalsContact O-CG1 3.26Å; C1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; C1036-I1040 PolarHBondContact O-N 3.04Å; V1037-I1040 PolarHBondContact O-N 2.8Å; I1040-F1042 PolarHBondContact O-N 3.27Å; I1040-A1043 PolarHBondContact O-N 3.49Å; I1040-V1044 HydrophobicContact CG2-CG2 4.23Å; I1040-V1044 WeakPolarHBondContact O-CB 3.27Å; I1040-V1044 VanDerWaalsContact O-CG2 3.24Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.17Å; I1040-V1044 PolarHBondContact O-N 3.14Å |
| 1041 | H | 95.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 178.6 | -78.2 | 105.8 | 0 | 0 | 0 | 112.4 | F922 L923 I1012 V1037 L1038 A1043 V1044 V1045 | F922-H1041 AromaticContact CD1-CD2 3.65Å; F922-H1041 AromaticContact CD1-NE2 3.53Å; F922-H1041 AromaticContact CE1-CD2 3.35Å; F922-H1041 WeakPolarHBondContact CE1-CD2 3.49Å; F922-H1041 AromaticContact CE1-NE2 3.43Å; F922-H1041 WeakPolarHBondContact CE1-NE2 3.37Å; F922-H1041 AromaticContact CG-NE2 3.97Å; F922-H1041 AromaticContact CZ-NE2 3.78Å; F922-H1041 PolarHBondContact O-NE2 3.27Å; L923-H1041 HydrophobicContact CD2-CB 4.45Å; L923-H1041 WeakPolarHBondContact CD2-CD2 3.39Å; I1012-H1041 HydrophobicContact CD1-CB 3.8Å; I1012-H1041 HydrophobicContact CG1-CB 4.19Å; V1037-H1041 WeakPolarHBondContact CG1-CE1 3.16Å; V1037-H1041 VanDerWaalsContact CG1-ND1 3.26Å; V1037-H1041 WeakPolarHBondContact CG1-ND1 3.35Å; V1037-H1041 WeakPolarHBondContact O-CB 3.37Å; V1037-H1041 PolarHBondContact O-N 2.85Å; V1037-H1041 PolarHBondContact O-ND1 3.22Å; L1038-H1041 PolarHBondContact O-N 3Å; H1041-A1043 VanDerWaalsContact C-N 3.34Å; H1041-A1043 PolarHBondContact O-N 2.91Å; H1041-V1044 PolarHBondContact O-N 3.31Å; H1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; H1041-V1045 PolarHBondContact O-N 3.34Å |
| 1042 | F | 94.8 | Very high | 92.9 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 178.1 | -166.6 | -93.3 | 0 | 0 | 0 | 111.7 | Y1009 L1038 L1039 I1040 T1046 | Y1009-F1042 HydrophobicContact CD1-CD2 4.1Å; Y1009-F1042 AromaticContact CD1-CE2 3.77Å; Y1009-F1042 HydrophobicContact CD1-CE2 3.77Å; Y1009-F1042 HydrophobicContact CE1-CD2 4.02Å; Y1009-F1042 AromaticContact CE1-CE2 3.65Å; Y1009-F1042 HydrophobicContact CE1-CE2 3.65Å; Y1009-F1042 HydrophobicContact CE1-CZ 4.02Å; L1038-F1042 WeakPolarHBondContact O-CB 3.5Å; L1038-F1042 PolarHBondContact O-N 3.41Å; L1039-F1042 PolarHBondContact O-N 3.07Å; I1040-F1042 PolarHBondContact O-N 3.27Å; F1042-T1046 VanDerWaalsContact O-CB 3.27Å; F1042-T1046 WeakPolarHBondContact O-CB 3.21Å; F1042-T1046 PolarHBondContact O-N 2.95Å; F1042-T1046 PolarHBondContact O-OG1 2.84Å |
| 1043 | A | 95.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 49% | 0.488 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1039 I1040 H1041 T1046 S1047 | L1039-A1043 VanDerWaalsContact O-CB 3.31Å; L1039-A1043 WeakPolarHBondContact O-CB 3.4Å; L1039-A1043 PolarHBondContact O-N 3.13Å; I1040-A1043 PolarHBondContact O-N 3.49Å; H1041-A1043 VanDerWaalsContact C-N 3.34Å; H1041-A1043 PolarHBondContact O-N 2.91Å; A1043-T1046 PolarHBondContact O-N 3.48Å; A1043-S1047 VanDerWaalsContact O-CB 3.28Å; A1043-S1047 WeakPolarHBondContact O-CB 3.36Å; A1043-S1047 PolarHBondContact O-N 2.89Å |
| 1044 | V | 94.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 178.6 | 170 | 0 | 0 | 0 | 0 | 111 | F918 F922 I1040 H1041 T1046 S1047 L1048 | F918-V1044 HydrophobicContact CE2-CG1 4.26Å; F918-V1044 HydrophobicContact CZ-CG1 4.08Å; F922-V1044 HydrophobicContact CE1-CG1 4.21Å; I1040-V1044 HydrophobicContact CG2-CG2 4.23Å; I1040-V1044 WeakPolarHBondContact O-CB 3.27Å; I1040-V1044 VanDerWaalsContact O-CG2 3.24Å; I1040-V1044 WeakPolarHBondContact O-CG2 3.17Å; I1040-V1044 PolarHBondContact O-N 3.14Å; H1041-V1044 PolarHBondContact O-N 3.31Å; V1044-T1046 PolarHBondContact O-N 2.79Å; V1044-S1047 PolarHBondContact O-N 3.16Å; V1044-L1048 WeakPolarHBondContact O-CB 3.5Å; V1044-L1048 PolarHBondContact O-N 3.33Å |
| 1045 | V | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F918 L923 A1008 Y1009 I1012 H1041 S1047 L1048 V1049 | F918-V1045 HydrophobicContact CE1-CG2 4.39Å; F918-V1045 HydrophobicContact CZ-CG2 4.42Å; L923-V1045 HydrophobicContact CD2-CG2 4.23Å; A1008-V1045 HydrophobicContact CB-CG1 3.75Å; A1008-V1045 HydrophobicContact CB-CG2 4.13Å; Y1009-V1045 HydrophobicContact CD1-CG1 3.99Å; Y1009-V1045 HydrophobicContact CD2-CG1 3.99Å; Y1009-V1045 HydrophobicContact CE1-CB 4.38Å; Y1009-V1045 HydrophobicContact CE1-CG1 3.84Å; Y1009-V1045 HydrophobicContact CE2-CG1 3.84Å; Y1009-V1045 HydrophobicContact CG-CG1 4.07Å; I1012-V1045 HydrophobicContact CD1-CB 4.28Å; I1012-V1045 HydrophobicContact CD1-CG2 3.77Å; H1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; H1041-V1045 PolarHBondContact O-N 3.34Å; V1045-S1047 PolarHBondContact O-N 2.99Å; V1045-L1048 WeakPolarHBondContact O-CB 3.39Å; V1045-L1048 PolarHBondContact O-N 3.34Å; V1045-V1049 HydrophobicContact CG1-CG2 4.45Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.29Å; V1045-V1049 PolarHBondContact O-N 2.83Å |
| 1046 | T | 93.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 59 Ų | 59 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.5 | -54 | 0 | 0 | 0 | 0 | 112.5 | Y1009 F1042 A1043 V1044 L1048 V1049 L1050 | Y1009-T1046 WeakPolarHBondContact OH-CA 3.26Å; Y1009-T1046 WeakPolarHBondContact OH-CB 3.34Å; Y1009-T1046 PolarHBondContact OH-OG1 3.01Å; F1042-T1046 VanDerWaalsContact O-CB 3.27Å; F1042-T1046 WeakPolarHBondContact O-CB 3.21Å; F1042-T1046 PolarHBondContact O-N 2.95Å; F1042-T1046 PolarHBondContact O-OG1 2.84Å; A1043-T1046 PolarHBondContact O-N 3.48Å; V1044-T1046 PolarHBondContact O-N 2.79Å; T1046-L1048 VanDerWaalsContact C-N 3.33Å; T1046-V1049 PolarHBondContact O-N 2.99Å; T1046-L1050 HydrophobicContact CG2-CD1 3.77Å; T1046-L1050 HydrophobicContact CG2-CG 4.23Å; T1046-L1050 WeakPolarHBondContact O-CB 3.45Å; T1046-L1050 WeakPolarHBondContact O-CG 3.16Å; T1046-L1050 PolarHBondContact O-N 3.06Å |
| 1047 | S | 92.3 | Very high | 91.2 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | A1043 V1044 V1045 V1049 Y1051 | A1043-S1047 VanDerWaalsContact O-CB 3.28Å; A1043-S1047 WeakPolarHBondContact O-CB 3.36Å; A1043-S1047 PolarHBondContact O-N 2.89Å; V1044-S1047 PolarHBondContact O-N 3.16Å; V1045-S1047 PolarHBondContact O-N 2.99Å; S1047-V1049 VanDerWaalsContact C-N 3.32Å; S1047-V1049 PolarHBondContact O-N 3.37Å; S1047-Y1051 CarbonylContact O-C 2.98Å; S1047-Y1051 WeakPolarHBondContact O-CA 3.43Å; S1047-Y1051 PolarHBondContact O-N 3.31Å |
| 1048 | L | 91.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 178.7 | -168.2 | 66 | 0 | 0 | 0 | 113 | F1004 V1044 V1045 T1046 P1052 F1056 F1060 L1062 | F1004-L1048 HydrophobicContact CE1-CD2 3.68Å; F1004-L1048 HydrophobicContact CZ-CD2 4.03Å; V1044-L1048 WeakPolarHBondContact O-CB 3.5Å; V1044-L1048 PolarHBondContact O-N 3.33Å; V1045-L1048 WeakPolarHBondContact O-CB 3.39Å; V1045-L1048 PolarHBondContact O-N 3.34Å; T1046-L1048 VanDerWaalsContact C-N 3.33Å; L1048-P1052 HydrophobicContact CD1-CB 4.42Å; L1048-P1052 WeakPolarHBondContact O-CB 3.5Å; L1048-P1052 WeakPolarHBondContact O-CD 3.44Å; L1048-F1056 HydrophobicContact CD1-CB 4.08Å; L1048-F1060 HydrophobicContact CD1-CD2 4.06Å; L1048-F1060 HydrophobicContact CD1-CE2 4.41Å; L1048-L1062 HydrophobicContact CD1-CD1 3.67Å; L1048-L1062 HydrophobicContact CD2-CD1 4.42Å; L1048-L1062 HydrophobicContact CG-CD1 3.87Å |
| 1049 | V | 91 | Very high | 90.4 | Very high | 18 Ų | 18 | 72.7 Ų | 72.7 | 11% | 0.109 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -80.2 | -45.2 | 179.4 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | A1005 Y1009 V1045 T1046 S1047 L1074 V1075 | A1005-V1049 HydrophobicContact CB-CG1 4.46Å; A1005-V1049 HydrophobicContact CB-CG2 3.7Å; Y1009-V1049 HydrophobicContact CE2-CG2 4.08Å; V1045-V1049 HydrophobicContact CG1-CG2 4.45Å; V1045-V1049 WeakPolarHBondContact O-CG2 3.29Å; V1045-V1049 PolarHBondContact O-N 2.83Å; T1046-V1049 PolarHBondContact O-N 2.99Å; S1047-V1049 VanDerWaalsContact C-N 3.32Å; S1047-V1049 PolarHBondContact O-N 3.37Å; V1049-L1074 HydrophobicContact CG1-CB 4.46Å; V1049-V1075 HydrophobicContact CG1-CG2 4.17Å |
| 1050 | L | 90.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -80.3 | -46.8 | -175.9 | -62.9 | -179 | 0 | 0 | 0 | 112.3 | T1046 M1068 K1071 M1072 V1075 | T1046-L1050 HydrophobicContact CG2-CD1 3.77Å; T1046-L1050 HydrophobicContact CG2-CG 4.23Å; T1046-L1050 WeakPolarHBondContact O-CB 3.45Å; T1046-L1050 WeakPolarHBondContact O-CG 3.16Å; T1046-L1050 PolarHBondContact O-N 3.06Å; L1050-M1068 HydrophobicContact CD2-SD 4.41Å; L1050-K1071 HydrophobicContact CD2-CB 4.04Å; L1050-K1071 PolarHBondContact O-NZ 2.72Å; L1050-M1072 HydrophobicContact CD1-SD 4.39Å; L1050-M1072 HydrophobicContact CD2-SD 3.75Å; L1050-V1075 HydrophobicContact CD2-CG2 3.99Å; L1050-V1075 HydrophobicContact CG-CG2 4.42Å |
| 1051 | Y | 88 | Confident | 89.8 | Confident | 164 Ų | 164 | 68 Ų | 68 | 64% | 0.643 | 35% | 0.348 | S | S | * | . | trans | -137.9 | 68.2 | -173.6 | -64.1 | -78 | 0 | 0 | 0 | 111.8 | S1047 G1053 M1068 | S1047-Y1051 CarbonylContact O-C 2.98Å; S1047-Y1051 WeakPolarHBondContact O-CA 3.43Å; S1047-Y1051 PolarHBondContact O-N 3.31Å; Y1051-G1053 PolarHBondContact O-N 3.15Å; Y1051-M1068 HydrophobicContact CE1-CE 3.67Å; Y1051-M1068 HydrophobicContact CE2-CE 3.83Å; Y1051-M1068 WeakPolarHBondContact OH-CE 3.35Å | ||
| 1052 | P | 84.6 | Confident | 89.6 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | trans | -64.7 | 108.2 | 173.8 | 25.4 | -30.7 | 0 | 0 | 0 | 109.7 | L1048 R1057 L1062 | L1048-P1052 HydrophobicContact CD1-CB 4.42Å; L1048-P1052 WeakPolarHBondContact O-CB 3.5Å; L1048-P1052 WeakPolarHBondContact O-CD 3.44Å; P1052-R1057 HydrophobicContact CB-CB 4.42Å; P1052-L1062 HydrophobicContact CB-CD1 4.19Å | ||
| 1053 | G | 83.8 | Confident | 89.3 | Confident | 28 Ų | 28 | 67 Ų | 67 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | trans | -55.3 | 155.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1051 V1055 F1056 R1057 | Y1051-G1053 PolarHBondContact O-N 3.15Å; G1053-V1055 PolarHBondContact O-N 3.3Å; G1053-V1055 VanDerWaalsContact O-N 3.11Å; G1053-F1056 PolarHBondContact O-N 2.93Å; G1053-R1057 PolarHBondContact O-N 3.31Å | ||
| 1054 | P | 85.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 66.5 Ų | 66.5 | 73% | 0.734 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.4 | -32.6 | -170.5 | 22.5 | -33.5 | 0 | 0 | 0 | 113.3 | R1058 | P1054-R1058 PolarHBondContact O-N 3.3Å |
| 1055 | V | 86.8 | Confident | 88.4 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 59% | 0.594 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.7 | -50.7 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 111 | G1053 R1058 L1059 | G1053-V1055 PolarHBondContact O-N 3.3Å; G1053-V1055 VanDerWaalsContact O-N 3.11Å; V1055-R1058 PolarHBondContact O-N 3.08Å; V1055-L1059 HydrophobicContact CG1-CD1 3.68Å; V1055-L1059 WeakPolarHBondContact O-CB 2.98Å; V1055-L1059 WeakPolarHBondContact O-CG 3.46Å; V1055-L1059 PolarHBondContact O-N 3.16Å |
| 1056 | F | 86.6 | Confident | 87.8 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 52% | 0.518 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 179.9 | -69.6 | -67.4 | 0 | 0 | 0 | 112.3 | L1048 G1053 R1058 L1059 F1060 | L1048-F1056 HydrophobicContact CD1-CB 4.08Å; G1053-F1056 PolarHBondContact O-N 2.93Å; F1056-R1058 VanDerWaalsContact C-N 3.33Å; F1056-R1058 PolarHBondContact O-N 3.31Å; F1056-L1059 PolarHBondContact O-N 3.45Å; F1056-F1060 HydrophobicContact CB-CD2 4.3Å; F1056-F1060 HydrophobicContact CD1-CD2 4.33Å; F1056-F1060 AromaticContact CD1-CE2 3.93Å; F1056-F1060 HydrophobicContact CD1-CE2 3.93Å; F1056-F1060 WeakPolarHBondContact O-CB 3.39Å; F1056-F1060 WeakPolarHBondContact O-CD2 3.24Å; F1056-F1060 PolarHBondContact O-N 3.04Å |
| 1057 | R | 86.7 | Confident | 87.5 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 173.8 | -177.7 | -176.5 | 166.6 | 178.9 | 2 | 111.9 | P1052 G1053 K1061 L1062 D1064 | P1052-R1057 HydrophobicContact CB-CB 4.42Å; G1053-R1057 PolarHBondContact O-N 3.31Å; R1057-K1061 WeakPolarHBondContact O-CA 3.42Å; R1057-K1061 PolarHBondContact O-N 2.91Å; R1057-K1061 VanDerWaalsContact O-N 3.08Å; R1057-L1062 HydrophobicContact CG-CB 4.39Å; R1057-L1062 WeakPolarHBondContact CG-O 3.29Å; R1057-L1062 PolarHBondContact O-N 3.49Å; R1057-D1064 IonicContact CZ-OD2 3.65Å; R1057-D1064 VanDerWaalsContact NH1-CG 3.34Å; R1057-D1064 IonicContact NH1-OD2 2.72Å; R1057-D1064 PolarHBondContact NH1-OD2 3.18Å; R1057-D1064 IonicContact NH2-OD2 2.9Å |
| 1058 | R | 87.2 | Confident | 87.3 | Confident | 218 Ų | 218 | 72.7 Ų | 72.7 | 82% | 0.823 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69.4 | -43.1 | 178.6 | -173.3 | -179.8 | -76.2 | 177.1 | -3.8 | 111.8 | P1054 V1055 F1056 K1061 | P1054-R1058 PolarHBondContact O-N 3.3Å; V1055-R1058 PolarHBondContact O-N 3.08Å; F1056-R1058 VanDerWaalsContact C-N 3.33Å; F1056-R1058 PolarHBondContact O-N 3.31Å; R1058-K1061 PolarHBondContact O-N 3.27Å |
| 1059 | L | 86.8 | Confident | 87.3 | Confident | 84 Ų | 84 | 78 Ų | 78 | 44% | 0.44 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 177.7 | -82.9 | 158 | 0 | 0 | 0 | 112 | L914 V1055 F1056 K1061 | L914-L1059 HydrophobicContact CD1-CB 4.2Å; L914-L1059 HydrophobicContact CD1-CD2 3.68Å; L914-L1059 VanDerWaalsContact CD1-O 3.31Å; L914-L1059 WeakPolarHBondContact CD1-O 3.08Å; V1055-L1059 HydrophobicContact CG1-CD1 3.68Å; V1055-L1059 WeakPolarHBondContact O-CB 2.98Å; V1055-L1059 WeakPolarHBondContact O-CG 3.46Å; V1055-L1059 PolarHBondContact O-N 3.16Å; F1056-L1059 PolarHBondContact O-N 3.45Å; L1059-K1061 VanDerWaalsContact C-N 3.26Å; L1059-K1061 PolarHBondContact O-N 2.83Å |
| 1060 | F | 88.4 | Confident | 87.2 | Confident | 21 Ų | 21 | 77.3 Ų | 77.3 | 9% | 0.092 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.1 | -177.7 | -73.5 | -72.4 | 0 | 0 | 0 | 113.9 | L914 Q915 F918 F1004 L1048 F1056 L1062 | L914-F1060 HydrophobicContact CB-CD1 4.38Å; L914-F1060 HydrophobicContact CB-CE1 4.47Å; L914-F1060 WeakPolarHBondContact O-CE1 3.44Å; Q915-F1060 HydrophobicContact CG-CB 4.42Å; Q915-F1060 HydrophobicContact CG-CD1 3.89Å; Q915-F1060 PolarHBondContact NE2-O 3.4Å; F918-F1060 HydrophobicContact CB-CE1 3.5Å; F918-F1060 HydrophobicContact CB-CZ 3.91Å; F918-F1060 HydrophobicContact CD1-CE1 4.34Å; F918-F1060 HydrophobicContact CD2-CE1 4.2Å; F918-F1060 AromaticContact CD2-CZ 3.74Å; F918-F1060 HydrophobicContact CD2-CZ 3.74Å; F918-F1060 HydrophobicContact CE2-CZ 4.37Å; F918-F1060 AromaticContact CG-CE1 3.78Å; F918-F1060 HydrophobicContact CG-CE1 3.78Å; F918-F1060 AromaticContact CG-CZ 3.81Å; F918-F1060 HydrophobicContact CG-CZ 3.81Å; F1004-F1060 HydrophobicContact CZ-CD1 4.46Å; L1048-F1060 HydrophobicContact CD1-CD2 4.06Å; L1048-F1060 HydrophobicContact CD1-CE2 4.41Å; F1056-F1060 HydrophobicContact CB-CD2 4.3Å; F1056-F1060 HydrophobicContact CD1-CD2 4.33Å; F1056-F1060 AromaticContact CD1-CE2 3.93Å; F1056-F1060 HydrophobicContact CD1-CE2 3.93Å; F1056-F1060 WeakPolarHBondContact O-CB 3.39Å; F1056-F1060 WeakPolarHBondContact O-CD2 3.24Å; F1056-F1060 PolarHBondContact O-N 3.04Å; F1060-L1062 HydrophobicContact CB-CD1 3.85Å; F1060-L1062 HydrophobicContact CB-CD2 4.12Å; F1060-L1062 HydrophobicContact CB-CG 3.62Å; F1060-L1062 PolarHBondContact O-N 2.79Å |
| 1061 | K | 89.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 48.3 | -174.2 | -59.1 | -175.5 | 179.1 | -179.9 | 0 | 112.1 | A912 L995 P996 R1057 R1058 L1059 | A912-K1061 HydrophobicContact CB-CB 4.33Å; A912-K1061 HydrophobicContact CB-CD 4.32Å; L995-K1061 HydrophobicContact CB-CB 4.25Å; L995-K1061 HydrophobicContact CB-CD 3.82Å; L995-K1061 HydrophobicContact CD1-CD 4.19Å; P996-K1061 HydrophobicContact CB-CB 4.45Å; P996-K1061 WeakPolarHBondContact CB-O 3.24Å; R1057-K1061 WeakPolarHBondContact O-CA 3.42Å; R1057-K1061 PolarHBondContact O-N 2.91Å; R1057-K1061 VanDerWaalsContact O-N 3.08Å; R1058-K1061 PolarHBondContact O-N 3.27Å; L1059-K1061 VanDerWaalsContact C-N 3.26Å; L1059-K1061 PolarHBondContact O-N 2.83Å |
| 1062 | L | 89.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | trans | -85.1 | 138.3 | -179.8 | -59.6 | 170.8 | 0 | 0 | 0 | 110.8 | T1001 F1004 L1048 P1052 R1057 F1060 | T1001-L1062 HydrophobicContact CG2-CB 4.28Å; T1001-L1062 HydrophobicContact CG2-CD2 4.07Å; F1004-L1062 HydrophobicContact CD1-CD2 3.7Å; F1004-L1062 HydrophobicContact CE1-CD2 3.93Å; L1048-L1062 HydrophobicContact CD1-CD1 3.67Å; L1048-L1062 HydrophobicContact CD2-CD1 4.42Å; L1048-L1062 HydrophobicContact CG-CD1 3.87Å; P1052-L1062 HydrophobicContact CB-CD1 4.19Å; R1057-L1062 HydrophobicContact CG-CB 4.39Å; R1057-L1062 WeakPolarHBondContact CG-O 3.29Å; R1057-L1062 PolarHBondContact O-N 3.49Å; F1060-L1062 HydrophobicContact CB-CD1 3.85Å; F1060-L1062 HydrophobicContact CB-CD2 4.12Å; F1060-L1062 HydrophobicContact CB-CG 3.62Å; F1060-L1062 PolarHBondContact O-N 2.79Å | ||
| 1063 | Y | 88.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 28% | 0.275 | 38% | 0.38 | S | S | . | . | trans | -75.4 | 146.4 | 168.8 | -166.9 | -86.5 | 0 | 0 | 0 | 109.9 | N997 M998 T1001 F1065 | N997-Y1063 WeakPolarHBondContact O-CB 3.33Å; M998-Y1063 HydrophobicContact CE-CD1 4.22Å; M998-Y1063 HydrophobicContact CE-CE1 3.38Å; M998-Y1063 HydrophobicContact CE-CE2 4.11Å; M998-Y1063 WeakPolarHBondContact CE-OH 3.34Å; M998-Y1063 HydrophobicContact CG-CD1 3.67Å; M998-Y1063 HydrophobicContact CG-CD2 4.17Å; M998-Y1063 HydrophobicContact CG-CE1 3.84Å; M998-Y1063 HydrophobicContact CG-CE2 4.29Å; M998-Y1063 HydrophobicContact CG-CG 3.87Å; M998-Y1063 HydrophobicContact SD-CE1 4.4Å; T1001-Y1063 WeakPolarHBondContact OG1-CB 3.36Å; T1001-Y1063 PolarHBondContact OG1-N 2.86Å; Y1063-F1065 HydrophobicContact CD1-CD1 4.01Å; Y1063-F1065 AromaticContact CD1-CE1 3.92Å; Y1063-F1065 HydrophobicContact CD1-CE1 3.92Å; Y1063-F1065 HydrophobicContact CD1-CZ 4.38Å; Y1063-F1065 HydrophobicContact CE1-CD1 4.38Å | ||
| 1064 | D | 84.9 | Confident | 88.2 | Confident | 47 Ų | 47 | 75.5 Ų | 75.5 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | trans | -104.3 | 110 | -178.5 | -174.1 | 22.3 | 0 | 0 | 0 | 110.9 | R1057 K1071 | R1057-D1064 IonicContact CZ-OD2 3.65Å; R1057-D1064 VanDerWaalsContact NH1-CG 3.34Å; R1057-D1064 IonicContact NH1-OD2 2.72Å; R1057-D1064 PolarHBondContact NH1-OD2 3.18Å; R1057-D1064 IonicContact NH2-OD2 2.9Å; D1064-K1071 IonicContact OD1-NZ 2.67Å | ||
| 1065 | F | 85.5 | Confident | 88.6 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | trans | -82.4 | 116.9 | 173.3 | -55 | -71.9 | 0 | 0 | 0 | 109.1 | W981 M998 T1001 Y1063 D1067 F1070 K1071 | W981-F1065 HydrophobicContact CE3-CD1 4.42Å; W981-F1065 AromaticContact CH2-CD1 3.34Å; W981-F1065 HydrophobicContact CH2-CD1 3.34Å; W981-F1065 AromaticContact CH2-CE1 3.5Å; W981-F1065 HydrophobicContact CH2-CE1 3.5Å; W981-F1065 VanDerWaalsContact CH2-CE1 3.5Å; W981-F1065 HydrophobicContact CH2-CG 4.39Å; W981-F1065 HydrophobicContact CZ2-CD1 4.24Å; W981-F1065 AromaticContact CZ3-CD1 3.46Å; W981-F1065 HydrophobicContact CZ3-CD1 3.46Å; W981-F1065 VanDerWaalsContact CZ3-CD1 3.46Å; W981-F1065 AromaticContact CZ3-CE1 3.49Å; W981-F1065 HydrophobicContact CZ3-CE1 3.49Å; W981-F1065 VanDerWaalsContact CZ3-CE1 3.49Å; M998-F1065 HydrophobicContact CB-CE1 3.91Å; M998-F1065 HydrophobicContact CB-CZ 4.13Å; M998-F1065 HydrophobicContact CG-CE1 3.83Å; M998-F1065 HydrophobicContact CG-CZ 4.42Å; M998-F1065 HydrophobicContact SD-CE1 4.5Å; T1001-F1065 HydrophobicContact CG2-CD2 4.44Å; T1001-F1065 HydrophobicContact CG2-CE2 3.58Å; T1001-F1065 HydrophobicContact CG2-CZ 4.27Å; Y1063-F1065 HydrophobicContact CD1-CD1 4.01Å; Y1063-F1065 AromaticContact CD1-CE1 3.92Å; Y1063-F1065 HydrophobicContact CD1-CE1 3.92Å; Y1063-F1065 HydrophobicContact CD1-CZ 4.38Å; Y1063-F1065 HydrophobicContact CE1-CD1 4.38Å; F1065-D1067 PolarHBondContact O-N 3.33Å; F1065-F1070 HydrophobicContact CB-CD1 4.25Å; F1065-F1070 HydrophobicContact CD1-CD1 4.02Å; F1065-F1070 AromaticContact CD1-CE1 3.93Å; F1065-F1070 HydrophobicContact CD1-CE1 3.93Å; F1065-F1070 HydrophobicContact CD2-CD1 4.12Å; F1065-F1070 AromaticContact CD2-CE1 3.95Å; F1065-F1070 HydrophobicContact CD2-CE1 3.95Å; F1065-F1070 HydrophobicContact CE1-CD1 4.39Å; F1065-F1070 AromaticContact CE1-CE1 3.83Å; F1065-F1070 HydrophobicContact CE1-CE1 3.83Å; F1065-F1070 HydrophobicContact CE2-CD1 4.47Å; F1065-F1070 AromaticContact CE2-CE1 3.84Å; F1065-F1070 HydrophobicContact CE2-CE1 3.84Å; F1065-F1070 AromaticContact CG-CD1 3.87Å; F1065-F1070 HydrophobicContact CG-CD1 3.87Å; F1065-F1070 AromaticContact CG-CE1 3.99Å; F1065-F1070 HydrophobicContact CG-CE1 3.99Å; F1065-F1070 AromaticContact CZ-CE1 3.78Å; F1065-F1070 HydrophobicContact CZ-CE1 3.78Å; F1065-K1071 HydrophobicContact CB-CG 4.33Å; F1065-K1071 WeakPolarHBondContact O-CE 3.42Å; F1065-K1071 PolarHBondContact O-NZ 3Å | ||
| 1066 | N | 82.8 | Confident | 89 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 82% | 0.824 | 34% | 0.335 | S | S | * | . | trans | -69.8 | -23.4 | 173.6 | -69 | -21.3 | 0 | 0 | 0 | 111.9 | M1068 | N1066-M1068 PolarHBondContact O-N 2.91Š| ||
| 1067 | D | 87.2 | Confident | 89.3 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -81.5 | 112.2 | -179.9 | -174.3 | 4.8 | 0 | 0 | 0 | 112 | F1065 N1069 F1070 K1071 | F1065-D1067 PolarHBondContact O-N 3.33Å; D1067-N1069 VanDerWaalsContact C-N 3.34Å; D1067-N1069 VanDerWaalsContact OD1-CB 3.3Å; D1067-N1069 WeakPolarHBondContact OD1-CB 3.46Å; D1067-N1069 PolarHBondContact OD1-N 3.47Å; D1067-F1070 HydrophobicContact CB-CB 4.18Å; D1067-K1071 PolarHBondContact O-N 3.35Å | ||
| 1068 | M | 88.8 | Confident | 89.6 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.9 | -28.1 | 176.4 | -171.9 | 57 | 102.1 | 0 | 0 | 112.6 | L1050 Y1051 N1066 F1070 K1071 M1072 | L1050-M1068 HydrophobicContact CD2-SD 4.41Å; Y1051-M1068 HydrophobicContact CE1-CE 3.67Å; Y1051-M1068 HydrophobicContact CE2-CE 3.83Å; Y1051-M1068 WeakPolarHBondContact OH-CE 3.35Å; N1066-M1068 PolarHBondContact O-N 2.91Å; M1068-F1070 VanDerWaalsContact C-N 3.32Å; M1068-F1070 PolarHBondContact O-N 3.17Å; M1068-K1071 PolarHBondContact O-N 3.47Å; M1068-K1071 HydrophobicContact SD-CB 4.03Å; M1068-K1071 HydrophobicContact SD-CD 4.05Å; M1068-M1072 HydrophobicContact CG-CG 4.38Å; M1068-M1072 WeakPolarHBondContact O-CG 3.48Å; M1068-M1072 PolarHBondContact O-N 2.82Å |
| 1069 | N | 90.3 | Very high | 89.9 | Confident | 129 Ų | 129 | 53 Ų | 53 | 69% | 0.69 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 178.3 | -64.7 | -33 | 0 | 0 | 0 | 110.4 | D1067 M1072 L1073 | D1067-N1069 VanDerWaalsContact C-N 3.34Å; D1067-N1069 VanDerWaalsContact OD1-CB 3.3Å; D1067-N1069 WeakPolarHBondContact OD1-CB 3.46Å; D1067-N1069 PolarHBondContact OD1-N 3.47Å; N1069-M1072 PolarHBondContact O-N 3.04Å; N1069-L1073 WeakPolarHBondContact O-CB 3.41Å; N1069-L1073 PolarHBondContact O-N 3.28Å |
| 1070 | F | 90.2 | Very high | 90.3 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.3 | 179.9 | -103.3 | 0 | 0 | 0 | 112.6 | I975 T976 Q979 W981 F1065 D1067 M1068 M1072 L1073 L1074 | I975-F1070 HydrophobicContact CG2-CE2 4.22Å; T976-F1070 HydrophobicContact CG2-CZ 4.09Å; T976-F1070 WeakPolarHBondContact OG1-CZ 3.34Å; Q979-F1070 HydrophobicContact CG-CD2 4.16Å; Q979-F1070 HydrophobicContact CG-CE2 4.2Å; W981-F1070 AromaticContact CH2-CD1 3.76Å; W981-F1070 HydrophobicContact CH2-CD1 3.76Å; W981-F1070 HydrophobicContact CH2-CD2 4.18Å; W981-F1070 AromaticContact CH2-CE1 3.79Å; W981-F1070 HydrophobicContact CH2-CE1 3.79Å; W981-F1070 HydrophobicContact CH2-CE2 4.2Å; W981-F1070 AromaticContact CH2-CG 3.97Å; W981-F1070 HydrophobicContact CH2-CG 3.97Å; W981-F1070 HydrophobicContact CH2-CZ 4.01Å; W981-F1070 HydrophobicContact CZ2-CB 3.93Å; W981-F1070 AromaticContact CZ2-CD1 3.79Å; W981-F1070 HydrophobicContact CZ2-CD1 3.79Å; W981-F1070 AromaticContact CZ2-CD2 3.8Å; W981-F1070 HydrophobicContact CZ2-CD2 3.8Å; W981-F1070 HydrophobicContact CZ2-CE1 4.25Å; W981-F1070 HydrophobicContact CZ2-CE2 4.25Å; W981-F1070 AromaticContact CZ2-CG 3.55Å; W981-F1070 HydrophobicContact CZ2-CG 3.55Å; W981-F1070 HydrophobicContact CZ2-CZ 4.46Å; F1065-F1070 HydrophobicContact CB-CD1 4.25Å; F1065-F1070 HydrophobicContact CD1-CD1 4.02Å; F1065-F1070 AromaticContact CD1-CE1 3.93Å; F1065-F1070 HydrophobicContact CD1-CE1 3.93Å; F1065-F1070 HydrophobicContact CD2-CD1 4.12Å; F1065-F1070 AromaticContact CD2-CE1 3.95Å; F1065-F1070 HydrophobicContact CD2-CE1 3.95Å; F1065-F1070 HydrophobicContact CE1-CD1 4.39Å; F1065-F1070 AromaticContact CE1-CE1 3.83Å; F1065-F1070 HydrophobicContact CE1-CE1 3.83Å; F1065-F1070 HydrophobicContact CE2-CD1 4.47Å; F1065-F1070 AromaticContact CE2-CE1 3.84Å; F1065-F1070 HydrophobicContact CE2-CE1 3.84Å; F1065-F1070 AromaticContact CG-CD1 3.87Å; F1065-F1070 HydrophobicContact CG-CD1 3.87Å; F1065-F1070 AromaticContact CG-CE1 3.99Å; F1065-F1070 HydrophobicContact CG-CE1 3.99Å; F1065-F1070 AromaticContact CZ-CE1 3.78Å; F1065-F1070 HydrophobicContact CZ-CE1 3.78Å; D1067-F1070 HydrophobicContact CB-CB 4.18Å; M1068-F1070 VanDerWaalsContact C-N 3.32Å; M1068-F1070 PolarHBondContact O-N 3.17Å; F1070-M1072 VanDerWaalsContact C-N 3.33Å; F1070-M1072 PolarHBondContact O-N 3.1Å; F1070-L1073 WeakPolarHBondContact O-CB 3.36Å; F1070-L1073 PolarHBondContact O-N 3.08Å; F1070-L1073 VanDerWaalsContact O-N 3.15Å; F1070-L1074 HydrophobicContact CD1-CD1 4.3Å; F1070-L1074 HydrophobicContact CE1-CD1 3.73Å; F1070-L1074 HydrophobicContact CE1-CG 4.19Å; F1070-L1074 HydrophobicContact CZ-CD1 4.15Å; F1070-L1074 HydrophobicContact CZ-CD2 4.2Å; F1070-L1074 HydrophobicContact CZ-CG 4.23Å; F1070-L1074 PolarHBondContact O-N 3Å |
| 1071 | K | 91.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 174.7 | -72.2 | 174.5 | 167.9 | 167.3 | 0 | 111.8 | L1050 D1064 F1065 D1067 M1068 L1073 L1074 V1075 | L1050-K1071 HydrophobicContact CD2-CB 4.04Å; L1050-K1071 PolarHBondContact O-NZ 2.72Å; D1064-K1071 IonicContact OD1-NZ 2.67Å; F1065-K1071 HydrophobicContact CB-CG 4.33Å; F1065-K1071 WeakPolarHBondContact O-CE 3.42Å; F1065-K1071 PolarHBondContact O-NZ 3Å; D1067-K1071 PolarHBondContact O-N 3.35Å; M1068-K1071 PolarHBondContact O-N 3.47Å; M1068-K1071 HydrophobicContact SD-CB 4.03Å; M1068-K1071 HydrophobicContact SD-CD 4.05Å; K1071-L1073 VanDerWaalsContact C-N 3.34Å; K1071-L1074 PolarHBondContact O-N 3.43Å; K1071-V1075 PolarHBondContact O-N 3.03Å |
| 1072 | M | 92 | Very high | 90.8 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 50% | 0.498 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67 | -34 | 175.4 | -70.7 | -60.4 | -65.8 | 0 | 0 | 112.5 | L1050 M1068 N1069 F1070 V1075 A1076 | L1050-M1072 HydrophobicContact CD1-SD 4.39Å; L1050-M1072 HydrophobicContact CD2-SD 3.75Å; M1068-M1072 HydrophobicContact CG-CG 4.38Å; M1068-M1072 WeakPolarHBondContact O-CG 3.48Å; M1068-M1072 PolarHBondContact O-N 2.82Å; N1069-M1072 PolarHBondContact O-N 3.04Å; F1070-M1072 VanDerWaalsContact C-N 3.33Å; F1070-M1072 PolarHBondContact O-N 3.1Å; M1072-V1075 PolarHBondContact O-N 3.26Å; M1072-A1076 WeakPolarHBondContact O-CB 3.33Å; M1072-A1076 PolarHBondContact O-N 2.8Å |
| 1073 | L | 92.9 | Very high | 91 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.5 | -178.4 | 64.7 | 0 | 0 | 0 | 111.7 | I975 N1069 F1070 K1071 V1075 A1076 M1077 | I975-L1073 HydrophobicContact CG2-CD2 3.77Å; N1069-L1073 WeakPolarHBondContact O-CB 3.41Å; N1069-L1073 PolarHBondContact O-N 3.28Å; F1070-L1073 WeakPolarHBondContact O-CB 3.36Å; F1070-L1073 PolarHBondContact O-N 3.08Å; F1070-L1073 VanDerWaalsContact O-N 3.15Å; K1071-L1073 VanDerWaalsContact C-N 3.34Å; L1073-V1075 VanDerWaalsContact C-N 3.34Å; L1073-V1075 PolarHBondContact O-N 2.91Å; L1073-A1076 PolarHBondContact O-N 3.3Å; L1073-M1077 VanDerWaalsContact O-CB 3.31Å; L1073-M1077 WeakPolarHBondContact O-CB 3.38Å; L1073-M1077 PolarHBondContact O-N 3.17Å |
| 1074 | L | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.1 | -68.6 | 175.2 | 0 | 0 | 0 | 112 | A1005 V1049 F1070 K1071 M1077 A1078 | A1005-L1074 HydrophobicContact CB-CD1 4.26Å; V1049-L1074 HydrophobicContact CG1-CB 4.46Å; F1070-L1074 HydrophobicContact CD1-CD1 4.3Å; F1070-L1074 HydrophobicContact CE1-CD1 3.73Å; F1070-L1074 HydrophobicContact CE1-CG 4.19Å; F1070-L1074 HydrophobicContact CZ-CD1 4.15Å; F1070-L1074 HydrophobicContact CZ-CD2 4.2Å; F1070-L1074 HydrophobicContact CZ-CG 4.23Å; F1070-L1074 PolarHBondContact O-N 3Å; K1071-L1074 PolarHBondContact O-N 3.43Å; L1074-M1077 PolarHBondContact O-N 2.89Å; L1074-A1078 PolarHBondContact O-N 3.12Å |
| 1075 | V | 93.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | V1049 L1050 K1071 M1072 L1073 M1077 A1078 A1079 | V1049-V1075 HydrophobicContact CG1-CG2 4.17Å; L1050-V1075 HydrophobicContact CD2-CG2 3.99Å; L1050-V1075 HydrophobicContact CG-CG2 4.42Å; K1071-V1075 PolarHBondContact O-N 3.03Å; M1072-V1075 PolarHBondContact O-N 3.26Å; L1073-V1075 VanDerWaalsContact C-N 3.34Å; L1073-V1075 PolarHBondContact O-N 2.91Å; V1075-M1077 VanDerWaalsContact C-N 3.27Å; V1075-M1077 PolarHBondContact O-N 3.23Å; V1075-A1078 WeakPolarHBondContact O-CB 3.26Å; V1075-A1078 PolarHBondContact O-N 3.28Å; V1075-A1079 PolarHBondContact O-N 3.1Å |
| 1076 | A | 94.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1072 L1073 A1079 L1080 | M1072-A1076 WeakPolarHBondContact O-CB 3.33Å; M1072-A1076 PolarHBondContact O-N 2.8Å; L1073-A1076 PolarHBondContact O-N 3.3Å; A1076-A1079 WeakPolarHBondContact O-CB 3.37Å; A1076-A1079 PolarHBondContact O-N 2.96Å; A1076-L1080 PolarHBondContact O-N 3.43Å |
| 1077 | M | 93.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 175.4 | -172.5 | 171.3 | 179.3 | 0 | 0 | 112.3 | G968 A971 A972 I975 L1006 L1073 L1074 V1075 L1080 N1081 | G968-M1077 WeakPolarHBondContact O-CE 3.44Å; A971-M1077 HydrophobicContact CB-CE 3.36Å; A972-M1077 HydrophobicContact CB-CE 4.22Å; A972-M1077 HydrophobicContact CB-SD 4.05Å; I975-M1077 HydrophobicContact CD1-SD 4.23Å; L1006-M1077 HydrophobicContact CD1-CG 4.3Å; L1006-M1077 HydrophobicContact CD2-CE 3.81Å; L1006-M1077 HydrophobicContact CD2-CG 4.48Å; L1006-M1077 HydrophobicContact CD2-SD 4.22Å; L1073-M1077 VanDerWaalsContact O-CB 3.31Å; L1073-M1077 WeakPolarHBondContact O-CB 3.38Å; L1073-M1077 PolarHBondContact O-N 3.17Å; L1074-M1077 PolarHBondContact O-N 2.89Å; V1075-M1077 VanDerWaalsContact C-N 3.27Å; V1075-M1077 PolarHBondContact O-N 3.23Å; M1077-L1080 PolarHBondContact O-N 3.34Å; M1077-N1081 WeakPolarHBondContact O-CB 3.42Å; M1077-N1081 PolarHBondContact O-N 3.37Å |
| 1078 | A | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1006 Y1009 I1013 L1074 V1075 N1081 L1082 | L1006-A1078 HydrophobicContact CD1-CB 4.07Å; Y1009-A1078 HydrophobicContact CD1-CB 4.2Å; Y1009-A1078 HydrophobicContact CD2-CB 3.55Å; Y1009-A1078 HydrophobicContact CE2-CB 4.16Å; Y1009-A1078 HydrophobicContact CG-CB 3.56Å; I1013-A1078 WeakPolarHBondContact CD1-O 3.32Å; L1074-A1078 PolarHBondContact O-N 3.12Å; V1075-A1078 WeakPolarHBondContact O-CB 3.26Å; V1075-A1078 PolarHBondContact O-N 3.28Å; A1078-N1081 WeakPolarHBondContact O-CB 3.37Å; A1078-N1081 PolarHBondContact O-N 3.44Å; A1078-L1082 PolarHBondContact O-N 2.92Å |
| 1079 | A | 94 | Very high | 92.4 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1075 A1076 L1082 L1083 | V1075-A1079 PolarHBondContact O-N 3.1Å; A1076-A1079 WeakPolarHBondContact O-CB 3.37Å; A1076-A1079 PolarHBondContact O-N 2.96Å; A1079-L1082 PolarHBondContact O-N 3.37Å; A1079-L1083 PolarHBondContact O-N 2.8Å |
| 1080 | L | 94.8 | Very high | 92.3 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 55% | 0.55 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 172.7 | -179.3 | 63.4 | 0 | 0 | 0 | 111.3 | A1076 M1077 L1082 L1083 V1084 | A1076-L1080 PolarHBondContact O-N 3.43Å; M1077-L1080 PolarHBondContact O-N 3.34Å; L1080-L1082 VanDerWaalsContact C-N 3.34Å; L1080-L1082 PolarHBondContact O-N 2.99Å; L1080-L1083 PolarHBondContact O-N 3.27Å; L1080-V1084 HydrophobicContact CD1-CG2 4.17Å; L1080-V1084 HydrophobicContact CG-CG2 4.36Å; L1080-V1084 WeakPolarHBondContact O-CG2 3.47Å; L1080-V1084 PolarHBondContact O-N 2.87Å |
| 1081 | N | 93.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.7 | -169.9 | -67.7 | 0 | 0 | 0 | 111.5 | Q1010 I1013 M1077 A1078 L1083 V1084 C1085 | Q1010-N1081 PolarHBondContact NE2-ND2 3.3Å; I1013-N1081 HydrophobicContact CD1-CB 4.47Å; M1077-N1081 WeakPolarHBondContact O-CB 3.42Å; M1077-N1081 PolarHBondContact O-N 3.37Å; A1078-N1081 WeakPolarHBondContact O-CB 3.37Å; A1078-N1081 PolarHBondContact O-N 3.44Å; N1081-L1083 PolarHBondContact O-N 2.73Å; N1081-V1084 PolarHBondContact O-N 3.37Å; N1081-C1085 WeakPolarHBondContact O-CB 3.37Å; N1081-C1085 PolarHBondContact O-N 3.43Å; N1081-C1085 PolarHBondContact O-SG 2.88Å; N1081-C1085 PolarHBondContact OD1-SG 3.05Å; N1081-C1085 VanDerWaalsContact OD1-SG 3.36Å |
| 1082 | L | 93.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 174.5 | 173.8 | 63.1 | 0 | 0 | 0 | 111.7 | I1013 I1017 A1078 A1079 L1080 C1085 F1086 | I1013-L1082 HydrophobicContact CB-CD1 4.45Å; I1013-L1082 HydrophobicContact CD1-CB 3.93Å; I1013-L1082 HydrophobicContact CG1-CB 4.08Å; I1013-L1082 HydrophobicContact CG1-CD1 4.21Å; I1013-L1082 HydrophobicContact CG2-CB 4.22Å; I1013-L1082 HydrophobicContact CG2-CD1 3.77Å; I1017-L1082 HydrophobicContact CD1-CD1 4.28Å; A1078-L1082 PolarHBondContact O-N 2.92Å; A1079-L1082 PolarHBondContact O-N 3.37Å; L1080-L1082 VanDerWaalsContact C-N 3.34Å; L1080-L1082 PolarHBondContact O-N 2.99Å; L1082-C1085 PolarHBondContact O-N 3.44Å; L1082-F1086 VanDerWaalsContact O-CB 3.29Å; L1082-F1086 WeakPolarHBondContact O-CB 3.38Å; L1082-F1086 PolarHBondContact O-N 3.11Å |
| 1083 | L | 94.8 | Very high | 91 | Very high | 104 Ų | 104 | 53 Ų | 53 | 55% | 0.545 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -48 | 179.8 | -178.1 | 67.6 | 0 | 0 | 0 | 111.5 | A1079 L1080 N1081 F1086 V1087 | A1079-L1083 PolarHBondContact O-N 2.8Å; L1080-L1083 PolarHBondContact O-N 3.27Å; N1081-L1083 PolarHBondContact O-N 2.73Å; L1083-F1086 PolarHBondContact O-N 2.85Å; L1083-V1087 HydrophobicContact CD1-CG2 4.49Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.39Å; L1083-V1087 PolarHBondContact O-N 3.21Å |
| 1084 | V | 93.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 55 Ų | 55 | 35% | 0.345 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 179.8 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | T964 L1080 N1081 F1086 V1087 V1088 | T964-V1084 HydrophobicContact CG2-CB 4.47Å; T964-V1084 HydrophobicContact CG2-CG1 3.77Å; L1080-V1084 HydrophobicContact CD1-CG2 4.17Å; L1080-V1084 HydrophobicContact CG-CG2 4.36Å; L1080-V1084 WeakPolarHBondContact O-CG2 3.47Å; L1080-V1084 PolarHBondContact O-N 2.87Å; N1081-V1084 PolarHBondContact O-N 3.37Å; V1084-F1086 VanDerWaalsContact C-N 3.29Å; V1084-F1086 PolarHBondContact O-N 3.36Å; V1084-V1087 PolarHBondContact O-N 3.43Å; V1084-V1088 HydrophobicContact CG1-CG2 4.28Å; V1084-V1088 WeakPolarHBondContact O-CB 3.48Å; V1084-V1088 VanDerWaalsContact O-CG2 3.25Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; V1084-V1088 PolarHBondContact O-N 2.7Å |
| 1085 | C | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | -179.9 | -64.5 | 0 | 0 | 0 | 0 | 112 | H961 M1014 I1017 N1081 L1082 E1089 | H961-C1085 PolarHBondContact CE1-O 2.94Å; M1014-C1085 HydrophobicContact CE-CB 3.89Å; M1014-C1085 WeakPolarHBondContact CE-SG 3.16Å; I1017-C1085 HydrophobicContact CD1-CB 4.39Å; I1017-C1085 HydrophobicContact CG1-CB 4Å; N1081-C1085 WeakPolarHBondContact O-CB 3.37Å; N1081-C1085 PolarHBondContact O-N 3.43Å; N1081-C1085 PolarHBondContact O-SG 2.88Å; N1081-C1085 PolarHBondContact OD1-SG 3.05Å; N1081-C1085 VanDerWaalsContact OD1-SG 3.36Å; L1082-C1085 PolarHBondContact O-N 3.44Å; C1085-E1089 PolarHBondContact O-N 2.97Å |
| 1086 | F | 91.6 | Very high | 88 | Confident | 120 Ų | 120 | 57.3 Ų | 57.3 | 53% | 0.526 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 174.6 | -176.7 | -99.3 | 0 | 0 | 0 | 112.3 | I1017 L1082 L1083 V1084 V1088 E1089 L1090 | I1017-F1086 HydrophobicContact CD1-CB 3.84Å; I1017-F1086 HydrophobicContact CD1-CD2 4.12Å; L1082-F1086 VanDerWaalsContact O-CB 3.29Å; L1082-F1086 WeakPolarHBondContact O-CB 3.38Å; L1082-F1086 PolarHBondContact O-N 3.11Å; L1083-F1086 PolarHBondContact O-N 2.85Å; V1084-F1086 VanDerWaalsContact C-N 3.29Å; V1084-F1086 PolarHBondContact O-N 3.36Å; F1086-V1088 VanDerWaalsContact C-N 3.34Å; F1086-V1088 PolarHBondContact O-N 3.43Å; F1086-E1089 PolarHBondContact O-N 3.48Å; F1086-L1090 WeakPolarHBondContact O-CB 3.32Å; F1086-L1090 PolarHBondContact O-N 2.87Å |
| 1087 | V | 91.4 | Very high | 86.6 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 39% | 0.394 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L1083 V1084 E1089 L1090 L1091 | L1083-V1087 HydrophobicContact CD1-CG2 4.49Å; L1083-V1087 WeakPolarHBondContact O-CG2 3.39Å; L1083-V1087 PolarHBondContact O-N 3.21Å; V1084-V1087 PolarHBondContact O-N 3.43Å; V1087-E1089 PolarHBondContact O-N 2.89Å; V1087-L1090 WeakPolarHBondContact O-CB 3.32Å; V1087-L1090 PolarHBondContact O-N 2.91Å; V1087-L1091 HydrophobicContact CG1-CD1 4.02Å; V1087-L1091 HydrophobicContact CG1-CG 4.38Å; V1087-L1091 VanDerWaalsContact O-CG 3.29Å; V1087-L1091 WeakPolarHBondContact O-CG 3.3Å; V1087-L1091 PolarHBondContact O-N 3.03Å |
| 1088 | V | 89.7 | Confident | 85.1 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.4 | 165.5 | 0 | 0 | 0 | 0 | 111.1 | I960 V1084 F1086 L1090 L1091 I1092 | I960-V1088 HydrophobicContact CB-CG1 4.41Å; I960-V1088 HydrophobicContact CG2-CG1 3.57Å; I960-V1088 HydrophobicContact CG2-CG2 4.46Å; V1084-V1088 HydrophobicContact CG1-CG2 4.28Å; V1084-V1088 WeakPolarHBondContact O-CB 3.48Å; V1084-V1088 VanDerWaalsContact O-CG2 3.25Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.3Å; V1084-V1088 PolarHBondContact O-N 2.7Å; F1086-V1088 VanDerWaalsContact C-N 3.34Å; F1086-V1088 PolarHBondContact O-N 3.43Å; V1088-L1090 VanDerWaalsContact C-N 3.32Å; V1088-L1090 PolarHBondContact O-N 3.35Å; V1088-L1091 PolarHBondContact O-N 3.31Å; V1088-I1092 HydrophobicContact CG1-CD1 3.7Å; V1088-I1092 HydrophobicContact CG1-CG1 4.47Å; V1088-I1092 WeakPolarHBondContact O-CD1 3.21Å; V1088-I1092 WeakPolarHBondContact O-CG1 3.2Å; V1088-I1092 PolarHBondContact O-N 3.15Å |
| 1089 | E | 88.3 | Confident | 83.8 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | -179.9 | -164.8 | 67.3 | -171.4 | 0 | 0 | 111.6 | R888 S957 H961 I1017 K1020 C1085 F1086 V1087 I1092 D1093 | R888-E1089 IonicContact CZ-OE1 3.29Å; R888-E1089 IonicContact NH1-OE1 2.89Å; R888-E1089 PolarHBondContact NH1-OE1 3.1Å; R888-E1089 IonicContact NH2-OE1 2.78Å; R888-E1089 PolarHBondContact NH2-OE1 2.78Å; R888-E1089 IonicContact NH2-OE2 3.18Å; R888-E1089 PolarHBondContact NH2-OE2 3.05Å; S957-E1089 PolarHBondContact OG-OE2 3.41Å; H961-E1089 IonicContact CD2-OE2 2.83Å; H961-E1089 IonicContact CE1-OE2 3.21Å; H961-E1089 IonicContact NE2-OE2 2.78Å; H961-E1089 PolarHBondContact NE2-OE2 3.28Å; I1017-E1089 HydrophobicContact CG2-CB 3.91Å; I1017-E1089 HydrophobicContact CG2-CG 4.16Å; K1020-E1089 WeakPolarHBondContact CE-OE1 3.44Å; K1020-E1089 IonicContact NZ-OE1 2.86Å; K1020-E1089 PolarHBondContact NZ-OE1 3.22Å; C1085-E1089 PolarHBondContact O-N 2.97Å; F1086-E1089 PolarHBondContact O-N 3.48Å; V1087-E1089 PolarHBondContact O-N 2.89Å; E1089-I1092 PolarHBondContact O-N 3.49Å; E1089-D1093 PolarHBondContact O-N 3.1Å |
| 1090 | L | 87 | Confident | 82.3 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 173.3 | -174.9 | 69 | 0 | 0 | 0 | 111.5 | F1086 V1087 V1088 I1092 D1093 V1094 | F1086-L1090 WeakPolarHBondContact O-CB 3.32Å; F1086-L1090 PolarHBondContact O-N 2.87Å; V1087-L1090 WeakPolarHBondContact O-CB 3.32Å; V1087-L1090 PolarHBondContact O-N 2.91Å; V1088-L1090 VanDerWaalsContact C-N 3.32Å; V1088-L1090 PolarHBondContact O-N 3.35Å; L1090-I1092 VanDerWaalsContact C-N 3.32Å; L1090-I1092 PolarHBondContact O-N 2.79Å; L1090-D1093 PolarHBondContact O-N 3.07Å; L1090-V1094 HydrophobicContact CD1-CG2 4.45Å; L1090-V1094 HydrophobicContact CG-CG2 4.41Å; L1090-V1094 WeakPolarHBondContact O-CB 3.27Å; L1090-V1094 VanDerWaalsContact O-CG2 3.25Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.08Å; L1090-V1094 PolarHBondContact O-N 3.48Å |
| 1091 | L | 86.1 | Confident | 80.8 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.3 | -71.1 | 172 | 0 | 0 | 0 | 112.4 | V1087 V1088 G1095 V1096 | V1087-L1091 HydrophobicContact CG1-CD1 4.02Å; V1087-L1091 HydrophobicContact CG1-CG 4.38Å; V1087-L1091 VanDerWaalsContact O-CG 3.29Å; V1087-L1091 WeakPolarHBondContact O-CG 3.3Å; V1087-L1091 PolarHBondContact O-N 3.03Å; V1088-L1091 PolarHBondContact O-N 3.31Å; L1091-G1095 PolarHBondContact O-N 2.89Å; L1091-G1095 VanDerWaalsContact O-N 3.16Å; L1091-V1096 HydrophobicContact CB-CG2 4.19Å; L1091-V1096 HydrophobicContact CD2-CG2 4.46Å; L1091-V1096 WeakPolarHBondContact O-CG2 3.36Å; L1091-V1096 PolarHBondContact O-N 3.48Å; L1091-V1096 VanDerWaalsContact O-N 3.15Å |
| 1092 | I | 83.1 | Confident | 79.2 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 175.6 | -67.1 | 165.4 | 0 | 0 | 0 | 110.3 | I960 V1088 E1089 L1090 G1095 L1097 | I960-I1092 HydrophobicContact CD1-CD1 4.4Å; V1088-I1092 HydrophobicContact CG1-CD1 3.7Å; V1088-I1092 HydrophobicContact CG1-CG1 4.47Å; V1088-I1092 WeakPolarHBondContact O-CD1 3.21Å; V1088-I1092 WeakPolarHBondContact O-CG1 3.2Å; V1088-I1092 PolarHBondContact O-N 3.15Å; E1089-I1092 PolarHBondContact O-N 3.49Å; L1090-I1092 VanDerWaalsContact C-N 3.32Å; L1090-I1092 PolarHBondContact O-N 2.79Å; I1092-G1095 PolarHBondContact O-N 2.93Å; I1092-L1097 HydrophobicContact CB-CD1 4.36Å; I1092-L1097 HydrophobicContact CD1-CD1 4.46Å; I1092-L1097 HydrophobicContact CG1-CD1 3.71Å; I1092-L1097 HydrophobicContact CG2-CD1 4.13Å |
| 1093 | D | 77.3 | Confident | 77.7 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72 | -38.4 | 179.6 | -80.4 | -22.2 | 0 | 0 | 0 | 113.3 | K1020 E1089 L1090 G1095 | K1020-D1093 IonicContact NZ-OD1 2.96Å; K1020-D1093 PolarHBondContact NZ-OD1 3.36Å; K1020-D1093 IonicContact NZ-OD2 3.62Å; K1020-D1093 PolarHBondContact NZ-OD2 3.38Å; E1089-D1093 PolarHBondContact O-N 3.1Å; L1090-D1093 PolarHBondContact O-N 3.07Å; D1093-G1095 PolarHBondContact O-N 3.03Å |
| 1094 | V | 77.6 | Confident | 75.9 | Confident | 117 Ų | 117 | 77 Ų | 77 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.4 | -18.9 | 172.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L1090 | L1090-V1094 HydrophobicContact CD1-CG2 4.45Å; L1090-V1094 HydrophobicContact CG-CG2 4.41Å; L1090-V1094 WeakPolarHBondContact O-CB 3.27Å; L1090-V1094 VanDerWaalsContact O-CG2 3.25Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.08Å; L1090-V1094 PolarHBondContact O-N 3.48Å |
| 1095 | G | 68.1 | Low | 73.9 | Confident | 6 Ų | 6 | 76.5 Ų | 76.5 | 6% | 0.062 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.6 | 25.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1091 I1092 D1093 L1097 N1098 C1099 | L1091-G1095 PolarHBondContact O-N 2.89Å; L1091-G1095 VanDerWaalsContact O-N 3.16Å; I1092-G1095 PolarHBondContact O-N 2.93Å; D1093-G1095 PolarHBondContact O-N 3.03Å; G1095-L1097 PolarHBondContact O-N 3.29Å; G1095-N1098 CarbonylContact O-C 3.43Å; G1095-N1098 VanDerWaalsContact O-CA 3.3Å; G1095-N1098 WeakPolarHBondContact O-CA 3.42Å; G1095-N1098 VanDerWaalsContact O-CB 3.3Å; G1095-N1098 WeakPolarHBondContact O-CB 3.46Å; G1095-N1098 PolarHBondContact O-N 3.01Å; G1095-C1099 PolarHBondContact O-N 3.09Å |
| 1096 | V | 69.2 | Low | 72.1 | Confident | 78 Ų | 78 | 87.8 Ų | 87.8 | 47% | 0.473 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -53.1 | -42.1 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | L1091 N1098 C1099 L1100 | L1091-V1096 HydrophobicContact CB-CG2 4.19Å; L1091-V1096 HydrophobicContact CD2-CG2 4.46Å; L1091-V1096 WeakPolarHBondContact O-CG2 3.36Å; L1091-V1096 PolarHBondContact O-N 3.48Å; L1091-V1096 VanDerWaalsContact O-N 3.15Å; V1096-N1098 VanDerWaalsContact C-N 3.27Å; V1096-N1098 PolarHBondContact O-N 3.34Å; V1096-C1099 PolarHBondContact O-N 2.8Å; V1096-L1100 PolarHBondContact O-N 3.17Å |
| 1097 | L | 64 | Low | 70.5 | Confident | 15 Ų | 15 | 92.3 Ų | 92.3 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.7 | -16.7 | 173.7 | -86.7 | 110.9 | 0 | 0 | 0 | 114.4 | L952 I960 I1092 G1095 | L952-L1097 HydrophobicContact CG-CD2 4.14Å; I960-L1097 HydrophobicContact CD1-CD1 4.26Å; I1092-L1097 HydrophobicContact CB-CD1 4.36Å; I1092-L1097 HydrophobicContact CD1-CD1 4.46Å; I1092-L1097 HydrophobicContact CG1-CD1 3.71Å; I1092-L1097 HydrophobicContact CG2-CD1 4.13Å; G1095-L1097 PolarHBondContact O-N 3.29Å |
| 1098 | N | 63.3 | Low | 69 | Low | 72 Ų | 72 | 93.9 Ų | 93.9 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -84.1 | -33.4 | 172.7 | -64.7 | -26.1 | 0 | 0 | 0 | 111.6 | G1095 V1096 L1100 R1101 L1102 | G1095-N1098 CarbonylContact O-C 3.43Å; G1095-N1098 VanDerWaalsContact O-CA 3.3Å; G1095-N1098 WeakPolarHBondContact O-CA 3.42Å; G1095-N1098 VanDerWaalsContact O-CB 3.3Å; G1095-N1098 WeakPolarHBondContact O-CB 3.46Å; G1095-N1098 PolarHBondContact O-N 3.01Å; V1096-N1098 VanDerWaalsContact C-N 3.27Å; V1096-N1098 PolarHBondContact O-N 3.34Å; N1098-L1100 VanDerWaalsContact C-N 3.32Å; N1098-L1100 PolarHBondContact O-N 2.91Å; N1098-R1101 WeakPolarHBondContact O-CA 3.35Å; N1098-R1101 VanDerWaalsContact O-CB 3.31Å; N1098-R1101 WeakPolarHBondContact O-CB 3.36Å; N1098-R1101 PolarHBondContact O-N 3.01Å; N1098-R1101 PolarHBondContact OD1-NH2 3.4Å; N1098-L1102 PolarHBondContact O-N 3.31Å; N1098-L1102 VanDerWaalsContact O-N 3.15Å |
| 1099 | C | 65.6 | Low | 67.7 | Low | 77 Ų | 77 | 95 Ų | 95 | 52% | 0.52 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 169.6 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | G1095 V1096 R1101 L1102 L1103 | G1095-C1099 PolarHBondContact O-N 3.09Å; V1096-C1099 PolarHBondContact O-N 2.8Å; C1099-R1101 PolarHBondContact O-N 3.5Å; C1099-L1102 WeakPolarHBondContact O-CB 3.5Å; C1099-L1102 PolarHBondContact O-N 3.03Å; C1099-L1103 PolarHBondContact O-N 3.16Å |
| 1100 | L | 63.4 | Low | 66.7 | Low | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -26.5 | 171.9 | -71 | 172.4 | 0 | 0 | 0 | 113.1 | V1096 N1098 L1103 | V1096-L1100 PolarHBondContact O-N 3.17Å; N1098-L1100 VanDerWaalsContact C-N 3.32Å; N1098-L1100 PolarHBondContact O-N 2.91Å; L1100-L1103 HydrophobicContact CD2-CD1 4.44Å |
| 1101 | R | 61.7 | Low | 66 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.4 | -32 | 173.2 | -88.1 | -170.3 | -89.8 | 170.7 | -4.6 | 113.3 | L952 P953 N1098 C1099 L1103 R1104 | L952-R1101 HydrophobicContact CD2-CG 4.1Å; P953-R1101 VanDerWaalsContact CD-NH2 3.34Å; N1098-R1101 WeakPolarHBondContact O-CA 3.35Å; N1098-R1101 VanDerWaalsContact O-CB 3.31Å; N1098-R1101 WeakPolarHBondContact O-CB 3.36Å; N1098-R1101 PolarHBondContact O-N 3.01Å; N1098-R1101 PolarHBondContact OD1-NH2 3.4Å; C1099-R1101 PolarHBondContact O-N 3.5Å; R1101-L1103 VanDerWaalsContact C-N 3.33Å; R1101-R1104 PolarHBondContact O-N 3.38Å |
| 1102 | L | 60.4 | Low | 65.4 | Low | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64 | -40 | 173.6 | -87.5 | 146.8 | 0 | 0 | 0 | 111.3 | N1098 C1099 R1104 G1105 | N1098-L1102 PolarHBondContact O-N 3.31Å; N1098-L1102 VanDerWaalsContact O-N 3.15Å; C1099-L1102 WeakPolarHBondContact O-CB 3.5Å; C1099-L1102 PolarHBondContact O-N 3.03Å; L1102-R1104 PolarHBondContact O-N 3.25Å; L1102-G1105 PolarHBondContact O-N 3.33Å |
| 1103 | L | 62.9 | Low | 65 | Low | 151 Ų | 151 | 101.8 Ų | 101.8 | 79% | 0.791 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.1 | 174.6 | -77.7 | 156.7 | 0 | 0 | 0 | 113.8 | C1099 L1100 R1101 | C1099-L1103 PolarHBondContact O-N 3.16Å; L1100-L1103 HydrophobicContact CD2-CD1 4.44Å; R1101-L1103 VanDerWaalsContact C-N 3.33Å |
| 1104 | R | 56.8 | Low | 65 | Low | 197 Ų | 197 | 101.7 Ų | 101.7 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.7 | -176.3 | -139 | 176 | -167.2 | -177.9 | 4.7 | 114.4 | R1101 L1102 | R1101-R1104 PolarHBondContact O-N 3.38Å; L1102-R1104 PolarHBondContact O-N 3.25Å |
| 1105 | G | 51.5 | Low | 64.9 | Low | 46 Ų | 46 | 101.9 Ų | 101.9 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | trans | 77.8 | 144.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1102 R1107 | L1102-G1105 PolarHBondContact O-N 3.33Å; G1105-R1107 PolarHBondContact O-N 3.11Å; G1105-R1107 VanDerWaalsContact O-N 3.11Å | ||
| 1106 | R | 55.9 | Low | 65.2 | Low | 237 Ų | 237 | 102.7 Ų | 102.7 | 89% | 0.894 | 49% | 0.488 | S | S | * | . | trans | -74.3 | 99.5 | 177.1 | -73.7 | -176.5 | 179.7 | -179.9 | 1.6 | 110.2 | ||||
| 1107 | R | 58.3 | Low | 65.5 | Low | 215 Ų | 215 | 105.7 Ų | 105.7 | 81% | 0.811 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 136.7 | 168.6 | -69.2 | -175.6 | -180 | -177 | -2.3 | 110.4 | G1105 S1109 | G1105-R1107 PolarHBondContact O-N 3.11Å; G1105-R1107 VanDerWaalsContact O-N 3.11Å; R1107-S1109 PolarHBondContact O-N 3.07Å |
| 1108 | P | 58.6 | Low | 65.9 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -59 | 138.1 | 176.5 | 23.5 | -32.6 | 0 | 0 | 0 | 110.4 | K1110 | P1108-K1110 PolarHBondContact O-N 2.77Š|
| 1109 | S | 63 | Low | 66.3 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 34% | 0.336 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 137.7 | -177.1 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | R1107 K1111 K1114 R1115 | R1107-S1109 PolarHBondContact O-N 3.07Å; S1109-K1111 PolarHBondContact O-N 2.78Å; S1109-K1114 WeakPolarHBondContact OG-CD 3.39Å; S1109-R1115 WeakPolarHBondContact O-CG 3.21Å; S1109-R1115 PolarHBondContact O-NE 3.43Å; S1109-R1115 PolarHBondContact O-NH2 3.36Å |
| 1110 | K | 66.9 | Low | 66.5 | Low | 179 Ų | 179 | 106.6 Ų | 106.6 | 78% | 0.778 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -66.7 | -12.7 | 174.3 | -66.9 | -172.1 | 177.7 | -172.8 | 0 | 113.5 | P1108 | P1108-K1110 PolarHBondContact O-N 2.77Š|
| 1111 | K | 72.8 | Confident | 66.7 | Low | 65 Ų | 65 | 106 Ų | 106 | 28% | 0.283 | 50% | 0.504 | S | S | . | . | trans | -83.6 | 124.2 | -177.9 | -60.5 | -161.5 | 179.7 | -164.5 | 0 | 110.9 | N823 S1109 Y1113 K1114 R1115 | N823-K1111 HydrophobicContact CB-CB 4.48Å; S1109-K1111 PolarHBondContact O-N 2.78Å; K1111-Y1113 HydrophobicContact CB-CD1 4.15Å; K1111-Y1113 HydrophobicContact CB-CE1 3.96Å; K1111-Y1113 HydrophobicContact CD-CD1 4.4Å; K1111-Y1113 HydrophobicContact CD-CE1 3.46Å; K1111-Y1113 VanDerWaalsContact CD-CE1 3.46Å; K1111-Y1113 HydrophobicContact CG-CE1 4.37Å; K1111-Y1113 PolarHBondContact O-N 3.23Å; K1111-K1114 HydrophobicContact CB-CB 4.32Å; K1111-K1114 HydrophobicContact CB-CD 4.44Å; K1111-K1114 HydrophobicContact CB-CG 4.2Å; K1111-K1114 PolarHBondContact O-N 3.37Å; K1111-K1114 VanDerWaalsContact O-N 3.16Å; K1111-R1115 PolarHBondContact O-N 2.96Å | ||
| 1112 | Q | 73.2 | Confident | 66.7 | Low | 85 Ų | 85 | 106.7 Ų | 106.7 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | -176.8 | -170.2 | 173 | -2.1 | 0 | 0 | 112.7 | L822 K1114 R1115 L1116 | L822-Q1112 HydrophobicContact CD2-CG 4.48Å; Q1112-K1114 PolarHBondContact O-N 2.74Å; Q1112-R1115 WeakPolarHBondContact O-CB 3.19Å; Q1112-R1115 PolarHBondContact O-N 2.89Å; Q1112-R1115 VanDerWaalsContact O-N 3.08Å; Q1112-L1116 PolarHBondContact O-N 3.04Å |
| 1113 | Y | 74.7 | Confident | 66.6 | Low | 19 Ų | 19 | 102.9 Ų | 102.9 | 8% | 0.075 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.8 | -30.7 | 178.7 | 78.8 | -97 | 0 | 0 | 0 | 114.2 | L822 Y824 K1111 K1117 | L822-Y1113 WeakPolarHBondContact O-CD1 3.3Å; L822-Y1113 PolarHBondContact O-N 2.87Å; Y824-Y1113 AromaticContact CD1-CD1 4Å; Y824-Y1113 HydrophobicContact CD1-CD1 4Å; Y824-Y1113 HydrophobicContact CD1-CD2 4.38Å; Y824-Y1113 HydrophobicContact CD1-CE1 4.1Å; Y824-Y1113 HydrophobicContact CD1-CE2 4.5Å; Y824-Y1113 HydrophobicContact CD1-CG 4.15Å; Y824-Y1113 HydrophobicContact CD2-CD1 4.38Å; Y824-Y1113 HydrophobicContact CD2-CG 4.38Å; Y824-Y1113 AromaticContact CE1-CD1 3.95Å; Y824-Y1113 HydrophobicContact CE1-CD1 3.95Å; Y824-Y1113 AromaticContact CE1-CD2 3.57Å; Y824-Y1113 HydrophobicContact CE1-CD2 3.57Å; Y824-Y1113 HydrophobicContact CE1-CE1 4.21Å; Y824-Y1113 AromaticContact CE1-CE2 3.87Å; Y824-Y1113 HydrophobicContact CE1-CE2 3.87Å; Y824-Y1113 AromaticContact CE1-CG 3.63Å; Y824-Y1113 HydrophobicContact CE1-CG 3.63Å; Y824-Y1113 VanDerWaalsContact CE2-CB 3.46Å; Y824-Y1113 HydrophobicContact CE2-CD1 4.3Å; Y824-Y1113 HydrophobicContact CE2-CD2 4.43Å; Y824-Y1113 AromaticContact CE2-CG 3.86Å; Y824-Y1113 HydrophobicContact CE2-CG 3.86Å; Y824-Y1113 HydrophobicContact CG-CD1 4.24Å; Y824-Y1113 VanDerWaalsContact CZ-CB 3.45Å; Y824-Y1113 AromaticContact CZ-CD2 3.6Å; Y824-Y1113 AromaticContact CZ-CG 3.46Å; Y824-Y1113 VanDerWaalsContact CZ-CG 3.46Å; K1111-Y1113 HydrophobicContact CB-CD1 4.15Å; K1111-Y1113 HydrophobicContact CB-CE1 3.96Å; K1111-Y1113 HydrophobicContact CD-CD1 4.4Å; K1111-Y1113 HydrophobicContact CD-CE1 3.46Å; K1111-Y1113 VanDerWaalsContact CD-CE1 3.46Å; K1111-Y1113 HydrophobicContact CG-CE1 4.37Å; K1111-Y1113 PolarHBondContact O-N 3.23Å; Y1113-K1117 WeakPolarHBondContact O-CB 3.31Å; Y1113-K1117 PolarHBondContact O-N 3.05Å |
| 1114 | K | 76.6 | Confident | 66.3 | Low | 94 Ų | 94 | 99.6 Ų | 99.6 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.8 | -37.2 | 177.2 | -71.3 | -167.4 | 172 | -165.2 | 0 | 111.8 | S1109 K1111 Q1112 A1118 | S1109-K1114 WeakPolarHBondContact OG-CD 3.39Å; K1111-K1114 HydrophobicContact CB-CB 4.32Å; K1111-K1114 HydrophobicContact CB-CD 4.44Å; K1111-K1114 HydrophobicContact CB-CG 4.2Å; K1111-K1114 PolarHBondContact O-N 3.37Å; K1111-K1114 VanDerWaalsContact O-N 3.16Å; Q1112-K1114 PolarHBondContact O-N 2.74Å; K1114-A1118 PolarHBondContact O-N 2.91Å |
| 1115 | R | 77.1 | Confident | 66.5 | Low | 121 Ų | 121 | 94.6 Ų | 94.6 | 46% | 0.457 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 172.8 | -66.7 | -178.5 | -178.6 | 177.6 | -2.7 | 110 | S1109 K1111 Q1112 K1117 A1118 L1119 | S1109-R1115 WeakPolarHBondContact O-CG 3.21Å; S1109-R1115 PolarHBondContact O-NE 3.43Å; S1109-R1115 PolarHBondContact O-NH2 3.36Å; K1111-R1115 PolarHBondContact O-N 2.96Å; Q1112-R1115 WeakPolarHBondContact O-CB 3.19Å; Q1112-R1115 PolarHBondContact O-N 2.89Å; Q1112-R1115 VanDerWaalsContact O-N 3.08Å; R1115-K1117 VanDerWaalsContact C-N 3.34Å; R1115-K1117 PolarHBondContact O-N 3.38Å; R1115-A1118 PolarHBondContact O-N 3.31Å; R1115-L1119 WeakPolarHBondContact O-CG 3.33Å; R1115-L1119 PolarHBondContact O-N 3.44Å |
| 1116 | L | 73.2 | Confident | 67.2 | Low | 22 Ų | 22 | 93.5 Ų | 93.5 | 12% | 0.115 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.6 | -151.1 | 84.9 | 0 | 0 | 0 | 111.6 | P795 K796 M799 Q1112 A1118 L1119 L1120 | P795-L1116 VanDerWaalsContact C-CD2 3.44Å; P795-L1116 HydrophobicContact CB-CD1 4.48Å; P795-L1116 HydrophobicContact CB-CD2 4.03Å; P795-L1116 WeakPolarHBondContact O-CD2 3.2Å; K796-L1116 HydrophobicContact CB-CD2 4.48Å; K796-L1116 HydrophobicContact CG-CD1 4.32Å; K796-L1116 HydrophobicContact CG-CD2 4.23Å; K796-L1116 HydrophobicContact CG-CG 4.48Å; M799-L1116 HydrophobicContact CB-CD2 4.16Å; M799-L1116 HydrophobicContact SD-CB 4.42Å; M799-L1116 HydrophobicContact SD-CD2 4.36Å; Q1112-L1116 PolarHBondContact O-N 3.04Å; L1116-A1118 VanDerWaalsContact C-N 3.33Å; L1116-A1118 PolarHBondContact O-N 3.39Å; L1116-L1119 PolarHBondContact O-N 3.08Å; L1116-L1120 HydrophobicContact CD2-CD1 4.14Å; L1116-L1120 HydrophobicContact CG-CD1 4.09Å; L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.48Å; L1116-L1120 VanDerWaalsContact O-CG 3.24Å; L1116-L1120 WeakPolarHBondContact O-CG 3.47Å; L1116-L1120 PolarHBondContact O-N 2.96Å |
| 1117 | K | 75.3 | Confident | 67.9 | Low | 142 Ų | 142 | 82.6 Ų | 82.6 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.2 | -41.5 | 175.5 | -173.6 | 171.7 | -180 | 173.4 | 0 | 112.6 | M799 Y1113 R1115 S1121 | M799-K1117 WeakPolarHBondContact SD-CA 3.4Å; M799-K1117 HydrophobicContact SD-CB 3.7Å; M799-K1117 HydrophobicContact SD-CG 4.29Å; Y1113-K1117 WeakPolarHBondContact O-CB 3.31Å; Y1113-K1117 PolarHBondContact O-N 3.05Å; R1115-K1117 VanDerWaalsContact C-N 3.34Å; R1115-K1117 PolarHBondContact O-N 3.38Å; K1117-S1121 PolarHBondContact O-N 3.24Å; K1117-S1121 PolarHBondContact O-OG 3.16Å |
| 1118 | A | 72.2 | Confident | 68.5 | Low | 46 Ų | 46 | 73 Ų | 73 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1114 R1115 L1116 L1120 S1121 D1122 | K1114-A1118 PolarHBondContact O-N 2.91Å; R1115-A1118 PolarHBondContact O-N 3.31Å; L1116-A1118 VanDerWaalsContact C-N 3.33Å; L1116-A1118 PolarHBondContact O-N 3.39Å; A1118-L1120 VanDerWaalsContact C-N 3.29Å; A1118-L1120 PolarHBondContact O-N 3.31Å; A1118-S1121 WeakPolarHBondContact CA-OG 3.35Å; A1118-S1121 PolarHBondContact O-N 2.72Å; A1118-S1121 PolarHBondContact O-OG 3.21Å; A1118-D1122 PolarHBondContact O-N 3.18Å; A1118-D1122 VanDerWaalsContact O-N 3.09Å |
| 1119 | L | 72.4 | Confident | 69.2 | Low | 115 Ų | 115 | 69.5 Ų | 69.5 | 60% | 0.602 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | 175.9 | -71.8 | 168 | 0 | 0 | 0 | 112.2 | R1115 L1116 D1122 S1123 | R1115-L1119 WeakPolarHBondContact O-CG 3.33Å; R1115-L1119 PolarHBondContact O-N 3.44Å; L1116-L1119 PolarHBondContact O-N 3.08Å; L1119-D1122 PolarHBondContact O-N 3.38Å; L1119-S1123 WeakPolarHBondContact O-CB 3.43Å; L1119-S1123 PolarHBondContact O-N 3.42Å; L1119-S1123 VanDerWaalsContact O-N 3.11Å; L1119-S1123 PolarHBondContact O-OG 3.01Å |
| 1120 | L | 69.8 | Low | 69.3 | Low | 21 Ų | 21 | 71.5 Ų | 71.5 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.4 | -30.4 | -179.9 | -71.8 | 174 | 0 | 0 | 0 | 112.9 | K796 M799 L1116 A1118 D1122 S1123 W1126 | K796-L1120 HydrophobicContact CB-CD1 4.31Å; K796-L1120 HydrophobicContact CD-CD2 4.32Å; K796-L1120 HydrophobicContact CG-CD1 4.46Å; K796-L1120 HydrophobicContact CG-CD2 4.35Å; M799-L1120 HydrophobicContact CE-CB 4.24Å; M799-L1120 HydrophobicContact CE-CD1 3.33Å; M799-L1120 HydrophobicContact CE-CG 4.41Å; M799-L1120 HydrophobicContact SD-CD1 3.72Å; L1116-L1120 HydrophobicContact CD2-CD1 4.14Å; L1116-L1120 HydrophobicContact CG-CD1 4.09Å; L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.48Å; L1116-L1120 VanDerWaalsContact O-CG 3.24Å; L1116-L1120 WeakPolarHBondContact O-CG 3.47Å; L1116-L1120 PolarHBondContact O-N 2.96Å; A1118-L1120 VanDerWaalsContact C-N 3.29Å; A1118-L1120 PolarHBondContact O-N 3.31Å; L1120-D1122 VanDerWaalsContact C-N 3.29Å; L1120-S1123 WeakPolarHBondContact CA-OG 3.49Å; L1120-S1123 PolarHBondContact O-OG 3.46Å; L1120-S1123 VanDerWaalsContact O-OG 3.14Å; L1120-W1126 HydrophobicContact CD2-CB 4.21Å; L1120-W1126 VanDerWaalsContact CD2-CD1 3.42Å; L1120-W1126 HydrophobicContact CD2-CD2 4.16Å; L1120-W1126 HydrophobicContact CD2-CG 3.66Å |
| 1121 | S | 67.3 | Low | 69.6 | Low | 88 Ų | 88 | 68.9 Ų | 68.9 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70 | -29.4 | 171 | 57 | 0 | 0 | 0 | 0 | 112.5 | K1117 A1118 | K1117-S1121 PolarHBondContact O-N 3.24Å; K1117-S1121 PolarHBondContact O-OG 3.16Å; A1118-S1121 WeakPolarHBondContact CA-OG 3.35Å; A1118-S1121 PolarHBondContact O-N 2.72Å; A1118-S1121 PolarHBondContact O-OG 3.21Å |
| 1122 | D | 62 | Low | 69.7 | Low | 134 Ų | 134 | 70.3 Ų | 70.3 | 72% | 0.717 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -84.9 | -18.3 | 179.6 | -63.6 | -9.3 | 0 | 0 | 0 | 112.1 | A1118 L1119 L1120 A1124 | A1118-D1122 PolarHBondContact O-N 3.18Å; A1118-D1122 VanDerWaalsContact O-N 3.09Å; L1119-D1122 PolarHBondContact O-N 3.38Å; L1120-D1122 VanDerWaalsContact C-N 3.29Å; D1122-A1124 PolarHBondContact O-N 3.22Å |
| 1123 | S | 58.8 | Low | 69.9 | Low | 37 Ų | 37 | 67.8 Ų | 67.8 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | trans | -89.4 | 104.5 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | L1119 L1120 S1125 | L1119-S1123 WeakPolarHBondContact O-CB 3.43Å; L1119-S1123 PolarHBondContact O-N 3.42Å; L1119-S1123 VanDerWaalsContact O-N 3.11Å; L1119-S1123 PolarHBondContact O-OG 3.01Å; L1120-S1123 WeakPolarHBondContact CA-OG 3.49Å; L1120-S1123 PolarHBondContact O-OG 3.46Å; L1120-S1123 VanDerWaalsContact O-OG 3.14Å; S1123-S1125 PolarHBondContact O-N 2.86Å | ||
| 1124 | A | 56.2 | Low | 69.8 | Low | 82 Ų | 82 | 70.8 Ų | 70.8 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y768 D1122 | Y768-A1124 WeakPolarHBondContact CD1-O 3.35Å; Y768-A1124 WeakPolarHBondContact CE1-O 3.34Å; D1122-A1124 PolarHBondContact O-N 3.22Å |
| 1125 | S | 61.9 | Low | 69.5 | Low | 92 Ų | 92 | 68.2 Ų | 68.2 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 8.8 | -173.5 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | S1123 | S1123-S1125 PolarHBondContact O-N 2.86Š|
| 1126 | W | 66.1 | Low | 68.8 | Low | 24 Ų | 24 | 66.1 Ų | 66.1 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | trans | -119.4 | 134.7 | -176.7 | -177.3 | -89.4 | 0 | 0 | 0 | 111.3 | F744 Y793 K796 V797 L1120 | F744-W1126 HydrophobicContact CE2-CH2 4.27Å; F744-W1126 AromaticContact CZ-CH2 3.81Å; F744-W1126 HydrophobicContact CZ-CH2 3.81Å; F744-W1126 HydrophobicContact CZ-CZ2 4.11Å; Y793-W1126 AromaticContact CD1-CH2 3.59Å; Y793-W1126 HydrophobicContact CD1-CH2 3.59Å; Y793-W1126 AromaticContact CD1-CZ3 3.64Å; Y793-W1126 HydrophobicContact CD1-CZ3 3.64Å; Y793-W1126 HydrophobicContact CE1-CH2 4.3Å; Y793-W1126 AromaticContact CE1-CZ3 3.86Å; Y793-W1126 HydrophobicContact CE1-CZ3 3.86Å; Y793-W1126 HydrophobicContact CG-CH2 4.49Å; K796-W1126 HydrophobicContact CB-CH2 4.13Å; K796-W1126 HydrophobicContact CB-CZ2 3.49Å; K796-W1126 VanDerWaalsContact CB-CZ2 3.49Å; K796-W1126 HydrophobicContact CD-CD2 4.41Å; K796-W1126 HydrophobicContact CD-CE3 4.35Å; K796-W1126 HydrophobicContact CD-CH2 3.98Å; K796-W1126 HydrophobicContact CD-CZ2 4Å; K796-W1126 HydrophobicContact CD-CZ3 4.15Å; K796-W1126 HydrophobicContact CG-CZ2 4.4Å; V797-W1126 HydrophobicContact CG2-CZ2 4.35Å; L1120-W1126 HydrophobicContact CD2-CB 4.21Å; L1120-W1126 VanDerWaalsContact CD2-CD1 3.42Å; L1120-W1126 HydrophobicContact CD2-CD2 4.16Å; L1120-W1126 HydrophobicContact CD2-CG 3.66Å | ||
| 1127 | P | 69.5 | Low | 67.5 | Low | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.045 | 43% | 0.43 | C | S | . | . | S | Bend | cis | -79.3 | 147.7 | -3.8 | 30.6 | -31.6 | 0 | 0 | 0 | 112.7 | I727 F744 Y768 Y774 F776 L1129 | I727-P1127 HydrophobicContact CD1-CG 3.82Å; F744-P1127 HydrophobicContact CD1-CB 4.15Å; F744-P1127 HydrophobicContact CD2-CB 4.49Å; F744-P1127 HydrophobicContact CE1-CB 4.49Å; F744-P1127 HydrophobicContact CG-CB 4.16Å; Y768-P1127 PolarHBondContact OH-O 3.42Å; Y774-P1127 HydrophobicContact CE2-CG 4.23Å; F776-P1127 HydrophobicContact CE1-CB 4.07Å; F776-P1127 HydrophobicContact CE1-CG 4Å; F776-P1127 HydrophobicContact CZ-CB 3.85Å; F776-P1127 HydrophobicContact CZ-CG 3.94Å; P1127-L1129 HydrophobicContact CG-CD2 4.45Å; P1127-L1129 PolarHBondContact O-N 3.22Å |
| 1128 | P | 72.2 | Confident | 66 | Low | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.084 | 44% | 0.435 | C | S | . | . | trans | -74.7 | 96.4 | 174.6 | 30.1 | -32.2 | 0 | 0 | 0 | 109.9 | F744 Q1131 L1133 | F744-P1128 HydrophobicContact CD2-CG 4.06Å; F744-P1128 WeakPolarHBondContact CD2-O 3.29Å; F744-P1128 HydrophobicContact CE2-CG 4.09Å; P1128-Q1131 HydrophobicContact CB-CB 4.2Å; P1128-L1133 HydrophobicContact CG-CD1 3.87Å; P1128-L1133 HydrophobicContact CG-CD2 4.39Å; P1128-L1133 HydrophobicContact CG-CG 4.33Å | ||
| 1129 | L | 71.9 | Confident | 64.1 | Low | 25 Ų | 25 | 73.2 Ų | 73.2 | 13% | 0.131 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -67.3 | 135 | -179.9 | -66.4 | 173.3 | 0 | 0 | 0 | 111.2 | I727 F744 V746 L764 L767 P1127 Q1131 | I727-L1129 HydrophobicContact CD1-CD2 4.04Å; I727-L1129 HydrophobicContact CG1-CD2 4.42Å; I727-L1129 HydrophobicContact CG2-CD2 4.13Å; F744-L1129 HydrophobicContact CB-CD2 4.31Å; V746-L1129 HydrophobicContact CG2-CD1 4.15Å; V746-L1129 HydrophobicContact CG2-CD2 3.75Å; L764-L1129 HydrophobicContact CD1-CB 4.42Å; L764-L1129 HydrophobicContact CD1-CD1 4.07Å; L767-L1129 HydrophobicContact CD1-CD1 3.92Å; P1127-L1129 HydrophobicContact CG-CD2 4.45Å; P1127-L1129 PolarHBondContact O-N 3.22Å; L1129-Q1131 PolarHBondContact O-N 3.49Å |
| 1130 | D | 65.7 | Low | 62.3 | Low | 91 Ų | 91 | 73.8 Ų | 73.8 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 56.2 | 1.7 | 177.5 | -63.9 | -48.4 | 0 | 0 | 0 | 117.6 | R743 F744 | R743-D1130 PolarHBondContact NE-O 3.41Å; R743-D1130 PolarHBondContact NH2-O 3.35Å; F744-D1130 PolarHBondContact O-N 3.18Å |
| 1131 | Q | 73.8 | Confident | 60.4 | Low | 123 Ų | 123 | 79.3 Ų | 79.3 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | trans | -82.1 | 133.8 | 170.7 | -64.7 | -179.9 | 3.7 | 0 | 0 | 110.5 | P1128 L1129 | P1128-Q1131 HydrophobicContact CB-CB 4.2Å; L1129-Q1131 PolarHBondContact O-N 3.49Å | ||
| 1132 | T | 73.9 | Confident | 58.3 | Low | 95 Ų | 95 | 79.4 Ų | 79.4 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | trans | -87.1 | 115 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1133 | L | 77.1 | Confident | 56.6 | Low | 33 Ų | 33 | 81.4 Ų | 81.4 | 17% | 0.173 | 49% | 0.49 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 129.7 | 173.4 | -60.8 | 171.2 | 0 | 0 | 0 | 109.6 | L742 F744 Y793 P1128 | L742-L1133 HydrophobicContact CB-CB 4.25Å; L742-L1133 HydrophobicContact CD2-CD1 4.15Å; L742-L1133 PolarHBondContact N-O 3.5Å; L742-L1133 PolarHBondContact O-N 3.28Å; F744-L1133 HydrophobicContact CE2-CD1 4.13Å; Y793-L1133 HydrophobicContact CE1-CD1 4.07Å; P1128-L1133 HydrophobicContact CG-CD1 3.87Å; P1128-L1133 HydrophobicContact CG-CD2 4.39Å; P1128-L1133 HydrophobicContact CG-CG 4.33Å |
| 1134 | S | 73.6 | Confident | 55 | Low | 81 Ų | 81 | 88.4 Ų | 88.4 | 57% | 0.566 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -90.7 | 154.2 | 168.8 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | T1136 | S1134-T1136 PolarHBondContact O-N 3.22Š|
| 1135 | P | 69.7 | Low | 55 | Low | 40 Ų | 40 | 88.7 Ų | 88.7 | 26% | 0.26 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 140.1 | 174 | 26.7 | -36 | 0 | 0 | 0 | 110.3 | P740 F790 N1137 | P740-P1135 HydrophobicContact CG-CG 3.85Å; P740-P1135 WeakPolarHBondContact O-CD 3.31Å; F790-P1135 HydrophobicContact CE1-CB 4.13Å; P1135-N1137 PolarHBondContact O-N 2.76Å |
| 1136 | T | 62.3 | Low | 54.6 | Low | 78 Ų | 78 | 88.5 Ų | 88.5 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 118.7 | 171.1 | 12.3 | 0 | 0 | 0 | 0 | 108.1 | E792 S1134 G1138 | E792-T1136 PolarHBondContact OE2-OG1 3.04Å; S1134-T1136 PolarHBondContact O-N 3.22Å; T1136-G1138 PolarHBondContact O-N 3.42Å; T1136-G1138 VanDerWaalsContact O-N 3.09Å |
| 1137 | N | 45.2 | Very low | 54 | Low | 174 Ų | 174 | 92.1 Ų | 92.1 | 93% | 0.93 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -47.7 | 116.1 | 179.1 | -83.1 | -16.8 | 0 | 0 | 0 | 111 | P1135 | P1135-N1137 PolarHBondContact O-N 2.76Š|
| 1138 | G | 43.7 | Very low | 53.1 | Low | 71 Ų | 71 | 97.1 Ų | 97.1 | 73% | 0.732 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 146.5 | 9.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | T1136 | T1136-G1138 PolarHBondContact O-N 3.42Å; T1136-G1138 VanDerWaalsContact O-N 3.09Å |
| 1139 | T | 34 | Very low | 51.9 | Low | 114 Ų | 114 | 102.4 Ų | 102.4 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | trans | -131.6 | 34.9 | 172.2 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | I1141 | T1139-I1141 PolarHBondContact O-N 3.47Š| ||
| 1140 | V | 32.8 | Very low | 50.5 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | trans | -90.2 | 95.4 | 165.1 | -179 | 0 | 0 | 0 | 0 | 106.6 | S1142 | V1140-S1142 PolarHBondContact O-N 3.41Š| ||
| 1141 | I | 31.3 | Very low | 49.4 | Very low | 137 Ų | 137 | 108.7 Ų | 108.7 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | trans | -78.8 | 91.5 | 147.2 | -55.7 | 177.8 | 0 | 0 | 0 | 104 | T1139 F1143 | T1139-I1141 PolarHBondContact O-N 3.47Å; I1141-F1143 HydrophobicContact CB-CE2 4.37Å; I1141-F1143 HydrophobicContact CG2-CD2 3.66Å; I1141-F1143 HydrophobicContact CG2-CE1 4.49Å; I1141-F1143 HydrophobicContact CG2-CE2 3.19Å; I1141-F1143 HydrophobicContact CG2-CG 4.49Å; I1141-F1143 HydrophobicContact CG2-CZ 3.67Å; I1141-F1143 PolarHBondContact O-N 2.85Å | ||
| 1142 | S | 23.6 | Very low | 47.6 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -67.6 | 117.9 | 168.7 | 50.3 | 0 | 0 | 0 | 0 | 107.3 | V1140 | V1140-S1142 PolarHBondContact O-N 3.41Š| ||
| 1143 | F | 26.2 | Very low | 45.4 | Very low | 175 Ų | 175 | 108.7 Ų | 108.7 | 77% | 0.768 | 67% | 0.666 | S | S | * | * | trans | -107.4 | 101.2 | 158.5 | -75.5 | -70.9 | 0 | 0 | 0 | 107.2 | I1141 | I1141-F1143 HydrophobicContact CB-CE2 4.37Å; I1141-F1143 HydrophobicContact CG2-CD2 3.66Å; I1141-F1143 HydrophobicContact CG2-CE1 4.49Å; I1141-F1143 HydrophobicContact CG2-CE2 3.19Å; I1141-F1143 HydrophobicContact CG2-CG 4.49Å; I1141-F1143 HydrophobicContact CG2-CZ 3.67Å; I1141-F1143 PolarHBondContact O-N 2.85Å | ||
| 1144 | S | 25.1 | Very low | 42.5 | Very low | 184 Ų | 184 | 115.5 Ų | 115.5 | 100% | 1.287 | 71% | 0.711 | S | S | * | * | trans | -64.8 | 0 | 152.2 | 54.7 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 1,144 of 1,144 residues in 1998.8 ms
(Link to these results)